NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
562259 | 2lsv | 18447 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 2 H1 SER 2 22.607 -12.716 -4.285 2 H2 SER 2 H2 SER 2 21.493 -13.631 -3.494 3 H3 SER 2 H3 SER 2 22.167 -12.326 -2.750 4 HA SER 2 HA SER 2 20.437 -12.230 -5.124 5 HB2 SER 2 HB2 SER 2 19.822 -11.443 -2.254 6 HB3 SER 2 HB3 SER 2 18.742 -11.265 -3.652 7 HG SER 2 HG SER 2 18.343 -13.183 -2.471 8 H GLN 3 H GLN 3 19.900 -10.126 -5.868 9 HA GLN 3 HA GLN 3 21.260 -7.808 -4.706 10 HB2 GLN 3 HB2 GLN 3 22.467 -7.260 -6.765 11 HB3 GLN 3 HB3 GLN 3 23.025 -8.812 -6.112 12 HG2 GLN 3 HG2 GLN 3 21.610 -10.028 -7.732 13 HG3 GLN 3 HG3 GLN 3 20.992 -8.496 -8.363 14 HE21 GLN 3 HE22 GLN 3 21.854 -9.657 -10.380 15 HE22 GLN 3 HE21 GLN 3 23.517 -9.304 -10.820 16 H PHE 4 H PHE 4 20.782 -5.803 -6.193 17 HA PHE 4 HA PHE 4 18.430 -5.962 -7.912 18 HB2 PHE 4 HB2 PHE 4 17.329 -6.041 -5.720 19 HB3 PHE 4 HB3 PHE 4 18.359 -4.754 -5.109 20 HD1 PHE 4 HD1 PHE 4 18.070 -2.359 -6.028 21 HD2 PHE 4 HD2 PHE 4 15.314 -5.560 -6.886 22 HE1 PHE 4 HE1 PHE 4 16.307 -0.716 -6.518 23 HE2 PHE 4 HE2 PHE 4 13.567 -3.905 -7.423 24 HZ PHE 4 HZ PHE 4 14.101 -1.449 -7.328 25 H GLU 5 H GLU 5 20.585 -4.156 -5.785 26 HA GLU 5 HA GLU 5 20.614 -1.643 -6.879 27 HB2 GLU 5 HB2 GLU 5 22.864 -3.389 -5.832 28 HB3 GLU 5 HB3 GLU 5 22.967 -1.644 -6.009 29 HG2 GLU 5 HG2 GLU 5 21.034 -1.348 -4.480 30 HG3 GLU 5 HG3 GLU 5 20.970 -3.103 -4.221 31 H LYS 6 H LYS 6 22.697 -4.499 -7.917 32 HA LYS 6 HA LYS 6 24.207 -2.831 -9.671 33 HB2 LYS 6 HB2 LYS 6 23.925 -5.730 -9.070 34 HB3 LYS 6 HB3 LYS 6 24.493 -5.351 -10.695 35 HG2 LYS 6 HG2 LYS 6 26.409 -5.608 -9.231 36 HG3 LYS 6 HG3 LYS 6 26.282 -3.934 -9.811 37 HD2 LYS 6 HD2 LYS 6 26.897 -3.939 -7.461 38 HD3 LYS 6 HD3 LYS 6 25.262 -3.275 -7.626 39 HE2 LYS 6 HE2 LYS 6 24.311 -5.476 -6.988 40 HE3 LYS 6 HE3 LYS 6 25.941 -6.157 -6.898 41 HZ1 LYS 6 HZ1 LYS 6 25.139 -5.535 -4.730 42 HZ2 LYS 6 HZ2 LYS 6 26.429 -4.607 -5.133 43 HZ3 LYS 6 HZ3 LYS 6 24.922 -3.973 -5.192 44 H GLN 7 H GLN 7 21.399 -5.028 -10.161 45 HA GLN 7 HA GLN 7 21.207 -4.684 -12.971 46 HB2 GLN 7 HB2 GLN 7 19.098 -5.402 -10.918 47 HB3 GLN 7 HB3 GLN 7 19.075 -5.735 -12.677 48 HG2 GLN 7 HG2 GLN 7 21.351 -6.880 -12.330 49 HG3 GLN 7 HG3 GLN 7 21.047 -6.780 -10.582 50 HE21 GLN 7 HE22 GLN 7 19.305 -7.759 -13.611 51 HE22 GLN 7 HE21 GLN 7 18.668 -9.220 -12.905 52 H LYS 8 H LYS 8 20.812 -2.424 -10.466 53 HA LYS 8 HA LYS 8 18.936 -0.682 -11.991 54 HB2 LYS 8 HB2 LYS 8 18.353 -1.489 -9.703 55 HB3 LYS 8 HB3 LYS 8 19.800 -0.690 -9.085 56 HG2 LYS 8 HG2 LYS 8 18.912 1.505 -9.870 57 HG3 LYS 8 HG3 LYS 8 17.465 0.673 -10.509 58 HD2 LYS 8 HD2 LYS 8 17.043 1.596 -8.269 59 HD3 LYS 8 HD3 LYS 8 16.962 -0.175 -8.276 60 HE2 LYS 8 HE2 LYS 8 19.072 -0.382 -7.191 61 HE3 LYS 8 HE3 LYS 8 19.567 1.240 -7.685 62 HZ1 LYS 8 HZ1 LYS 8 17.502 0.630 -5.662 63 HZ2 LYS 8 HZ2 LYS 8 19.022 1.153 -5.343 64 HZ3 LYS 8 HZ3 LYS 8 17.966 2.140 -6.119 65 H GLU 9 H GLU 9 22.216 -1.189 -11.140 66 HA GLU 9 HA GLU 9 22.951 1.698 -11.465 67 HB2 GLU 9 HB2 GLU 9 24.379 -0.652 -10.211 68 HB3 GLU 9 HB3 GLU 9 25.088 0.969 -10.411 69 HG2 GLU 9 HG2 GLU 9 22.371 0.641 -9.159 70 HG3 GLU 9 HG3 GLU 9 23.805 0.303 -8.183 71 H GLN 10 H GLN 10 23.276 -1.537 -12.770 72 HA GLN 10 HA GLN 10 25.411 -0.850 -14.633 73 HB2 GLN 10 HB2 GLN 10 24.686 -3.224 -13.779 74 HB3 GLN 10 HB3 GLN 10 23.353 -3.073 -14.934 75 HG2 GLN 10 HG2 GLN 10 25.336 -2.445 -16.609 76 HG3 GLN 10 HG3 GLN 10 26.303 -3.341 -15.416 77 HE21 GLN 10 HE22 GLN 10 23.638 -3.497 -17.759 78 HE22 GLN 10 HE21 GLN 10 23.557 -5.239 -17.867 79 H GLY 11 H GLY 11 21.838 -1.298 -15.074 80 HA2 GLY 11 HA2 GLY 11 21.949 -0.316 -17.802 81 HA3 GLY 11 HA3 GLY 11 20.498 -0.572 -16.806 82 H ASN 12 H ASN 12 22.193 1.118 -14.732 83 HA ASN 12 HA ASN 12 20.751 3.530 -14.916 84 HB2 ASN 12 HB2 ASN 12 22.001 2.269 -13.029 85 HB3 ASN 12 HB3 ASN 12 23.436 3.163 -13.553 86 HD21 ASN 12 HD22 ASN 12 21.894 3.124 -11.004 87 HD22 ASN 12 HD21 ASN 12 21.545 4.788 -10.662 88 H SER 13 H SER 13 23.667 2.483 -16.572 89 HA SER 13 HA SER 13 24.038 5.320 -17.440 90 HB2 SER 13 HB2 SER 13 26.291 4.697 -18.074 91 HB3 SER 13 HB3 SER 13 25.992 4.317 -16.361 92 HG SER 13 HG SER 13 27.022 2.586 -17.476 93 H LEU 14 H LEU 14 23.412 1.962 -18.539 94 HA LEU 14 HA LEU 14 23.638 2.260 -21.317 95 HB2 LEU 14 HB2 LEU 14 21.665 0.721 -19.647 96 HB3 LEU 14 HB3 LEU 14 21.992 0.489 -21.363 97 HG LEU 14 HG LEU 14 23.696 -0.192 -18.981 98 HD11 LEU 14 HD11 LEU 14 23.321 -1.206 -21.785 99 HD12 LEU 14 HD12 LEU 14 24.150 -2.099 -20.469 100 HD13 LEU 14 HD13 LEU 14 22.387 -1.771 -20.360 101 HD21 LEU 14 HD21 LEU 14 25.289 1.329 -20.136 102 HD22 LEU 14 HD22 LEU 14 25.741 -0.361 -20.356 103 HD23 LEU 14 HD23 LEU 14 24.944 0.503 -21.683 104 H PHE 15 H PHE 15 21.014 3.279 -19.070 105 HA PHE 15 HA PHE 15 19.112 4.000 -21.112 106 HB2 PHE 15 HB2 PHE 15 18.200 3.593 -18.998 107 HB3 PHE 15 HB3 PHE 15 19.558 4.353 -18.171 108 HD1 PHE 15 HD1 PHE 15 16.693 5.377 -20.407 109 HD2 PHE 15 HD2 PHE 15 19.311 6.372 -17.140 110 HE1 PHE 15 HE1 PHE 15 15.422 7.459 -20.018 111 HE2 PHE 15 HE2 PHE 15 17.918 8.307 -16.601 112 HZ PHE 15 HZ PHE 15 16.011 8.927 -18.083 113 H LYS 16 H LYS 16 21.661 5.690 -19.255 114 HA LYS 16 HA LYS 16 20.855 8.265 -20.191 115 HB2 LYS 16 HB2 LYS 16 23.502 7.478 -18.931 116 HB3 LYS 16 HB3 LYS 16 22.704 9.077 -18.923 117 HG2 LYS 16 HG2 LYS 16 20.763 7.953 -17.716 118 HG3 LYS 16 HG3 LYS 16 21.757 6.502 -17.613 119 HD2 LYS 16 HD2 LYS 16 22.051 7.624 -15.563 120 HD3 LYS 16 HD3 LYS 16 23.550 7.912 -16.469 121 HE2 LYS 16 HE2 LYS 16 22.638 10.145 -17.174 122 HE3 LYS 16 HE3 LYS 16 21.155 9.797 -16.264 123 HZ1 LYS 16 HZ1 LYS 16 22.674 11.172 -15.023 124 HZ2 LYS 16 HZ2 LYS 16 22.421 9.750 -14.264 125 HZ3 LYS 16 HZ3 LYS 16 23.840 10.008 -15.069 126 H GLN 17 H GLN 17 22.789 5.707 -21.534 127 HA GLN 17 HA GLN 17 24.474 7.364 -23.258 128 HB2 GLN 17 HB2 GLN 17 23.808 4.406 -23.016 129 HB3 GLN 17 HB3 GLN 17 24.744 5.031 -24.372 130 HG2 GLN 17 HG2 GLN 17 26.373 6.017 -22.732 131 HG3 GLN 17 HG3 GLN 17 25.514 5.166 -21.437 132 HE21 GLN 17 HE22 GLN 17 24.835 2.764 -22.807 133 HE22 GLN 17 HE21 GLN 17 26.298 1.874 -23.160 134 H GLY 18 H GLY 18 21.438 5.468 -23.473 135 HA2 GLY 18 HA2 GLY 18 19.976 6.739 -25.277 136 HA3 GLY 18 HA3 GLY 18 21.291 6.082 -26.331 137 H LEU 19 H LEU 19 21.355 3.741 -24.349 138 HA LEU 19 HA LEU 19 19.962 2.006 -26.207 139 HB2 LEU 19 HB2 LEU 19 21.110 1.455 -23.480 140 HB3 LEU 19 HB3 LEU 19 20.910 0.274 -24.826 141 HG LEU 19 HG LEU 19 22.947 2.469 -24.454 142 HD11 LEU 19 HD11 LEU 19 22.882 -0.593 -24.431 143 HD12 LEU 19 HD12 LEU 19 24.391 0.350 -24.253 144 HD13 LEU 19 HD13 LEU 19 23.088 0.451 -23.033 145 HD21 LEU 19 HD21 LEU 19 22.492 2.256 -26.873 146 HD22 LEU 19 HD22 LEU 19 24.075 1.552 -26.465 147 HD23 LEU 19 HD23 LEU 19 22.684 0.486 -26.759 148 H TYR 20 H TYR 20 18.100 3.659 -24.814 149 HA TYR 20 HA TYR 20 17.180 3.174 -22.364 150 HB2 TYR 20 HB2 TYR 20 15.320 3.163 -24.720 151 HB3 TYR 20 HB3 TYR 20 15.004 3.868 -23.141 152 HD1 TYR 20 HD1 TYR 20 17.248 5.461 -22.441 153 HD2 TYR 20 HD2 TYR 20 15.658 4.777 -26.375 154 HE1 TYR 20 HE1 TYR 20 18.170 7.642 -23.189 155 HE2 TYR 20 HE2 TYR 20 16.567 6.958 -27.132 156 HH TYR 20 HH TYR 20 18.406 9.108 -24.933 157 H ARG 21 H ARG 21 16.158 0.970 -25.090 158 HA ARG 21 HA ARG 21 14.637 -0.746 -23.363 159 HB2 ARG 21 HB2 ARG 21 14.880 -0.384 -26.055 160 HB3 ARG 21 HB3 ARG 21 15.965 -1.766 -25.866 161 HG2 ARG 21 HG2 ARG 21 13.013 -1.541 -25.295 162 HG3 ARG 21 HG3 ARG 21 13.855 -2.643 -26.406 163 HD2 ARG 21 HD2 ARG 21 14.840 -3.813 -24.389 164 HD3 ARG 21 HD3 ARG 21 13.869 -2.726 -23.370 165 HE ARG 21 HE ARG 21 11.975 -3.948 -23.864 166 HH11 ARG 21 HH11 ARG 21 14.568 -4.925 -26.075 167 HH12 ARG 21 HH12 ARG 21 13.668 -6.284 -26.706 168 HH21 ARG 21 HH21 ARG 21 10.836 -5.724 -24.712 169 HH22 ARG 21 HH22 ARG 21 11.562 -6.723 -25.949 170 H GLU 22 H GLU 22 18.011 -1.001 -24.638 171 HA GLU 22 HA GLU 22 18.562 -3.524 -23.413 172 HB2 GLU 22 HB2 GLU 22 20.588 -1.284 -23.682 173 HB3 GLU 22 HB3 GLU 22 20.881 -3.022 -23.640 174 HG2 GLU 22 HG2 GLU 22 19.654 -3.266 -25.786 175 HG3 GLU 22 HG3 GLU 22 19.487 -1.496 -25.875 176 H ALA 23 H ALA 23 18.399 -0.219 -22.207 177 HA ALA 23 HA ALA 23 19.780 -0.721 -19.764 178 HB1 ALA 23 HB1 ALA 23 17.734 1.476 -20.321 179 HB2 ALA 23 HB2 ALA 23 19.073 1.495 -19.168 180 HB3 ALA 23 HB3 ALA 23 19.399 1.503 -20.924 181 H VAL 24 H VAL 24 16.320 -0.886 -20.852 182 HA VAL 24 HA VAL 24 15.230 -1.196 -18.260 183 HB VAL 24 HB VAL 24 13.275 -1.336 -19.214 184 HG11 VAL 24 HG11 VAL 24 14.317 -0.077 -21.701 185 HG12 VAL 24 HG12 VAL 24 12.904 0.306 -20.722 186 HG13 VAL 24 HG13 VAL 24 14.530 0.697 -20.101 187 HG21 VAL 24 HG21 VAL 24 13.083 -3.267 -20.155 188 HG22 VAL 24 HG22 VAL 24 12.584 -2.111 -21.395 189 HG23 VAL 24 HG23 VAL 24 14.200 -2.914 -21.505 190 H HIS 25 H HIS 25 16.571 -3.077 -20.712 191 HA HIS 25 HA HIS 25 15.525 -5.616 -20.220 192 HB2 HIS 25 HB2 HIS 25 17.131 -4.426 -22.038 193 HB3 HIS 25 HB3 HIS 25 18.341 -5.373 -21.224 194 HD2 HIS 25 HD2 HIS 25 16.567 -5.464 -24.171 195 HE1 HIS 25 HE1 HIS 25 15.780 -9.455 -22.943 196 HE2 HIS 25 HE2 HIS 25 15.752 -7.864 -24.918 197 H CYS 26 H CYS 26 17.475 -3.787 -18.189 198 HA CYS 26 HA CYS 26 18.321 -6.201 -16.652 199 HB2 CYS 26 HB2 CYS 26 19.644 -3.456 -16.779 200 HB3 CYS 26 HB3 CYS 26 20.143 -4.802 -15.731 201 HG CYS 26 HG CYS 26 19.921 -4.753 -19.031 202 H TYR 27 H TYR 27 16.832 -3.035 -16.788 203 HA TYR 27 HA TYR 27 16.118 -2.569 -14.059 204 HB2 TYR 27 HB2 TYR 27 14.784 -2.061 -16.736 205 HB3 TYR 27 HB3 TYR 27 14.197 -1.324 -15.318 206 HD1 TYR 27 HD2 TYR 27 17.657 -1.193 -14.734 207 HD2 TYR 27 HD1 TYR 27 14.595 0.471 -17.273 208 HE1 TYR 27 HE2 TYR 27 18.984 0.876 -15.003 209 HE2 TYR 27 HE1 TYR 27 15.862 2.544 -17.492 210 HH TYR 27 HH TYR 27 17.814 3.666 -16.919 211 H ASP 28 H ASP 28 14.711 -4.651 -16.618 212 HA ASP 28 HA ASP 28 12.165 -4.961 -15.445 213 HB2 ASP 28 HB2 ASP 28 12.825 -5.446 -17.790 214 HB3 ASP 28 HB3 ASP 28 13.695 -6.887 -17.224 215 H GLN 29 H GLN 29 15.299 -6.464 -14.728 216 HA GLN 29 HA GLN 29 14.097 -8.618 -13.223 217 HB2 GLN 29 HB2 GLN 29 16.937 -7.547 -13.352 218 HB3 GLN 29 HB3 GLN 29 16.434 -8.986 -12.431 219 HG2 GLN 29 HG2 GLN 29 16.890 -10.133 -14.308 220 HG3 GLN 29 HG3 GLN 29 15.317 -9.562 -14.846 221 HE21 GLN 29 HE22 GLN 29 15.256 -8.499 -16.770 222 HE22 GLN 29 HE21 GLN 29 16.635 -7.752 -17.558 223 H LEU 30 H LEU 30 14.773 -5.253 -12.548 224 HA LEU 30 HA LEU 30 14.991 -5.415 -9.671 225 HB2 LEU 30 HB2 LEU 30 13.650 -3.305 -11.410 226 HB3 LEU 30 HB3 LEU 30 14.216 -3.073 -9.746 227 HG LEU 30 HG LEU 30 15.833 -3.513 -12.229 228 HD11 LEU 30 HD11 LEU 30 15.762 -1.242 -10.212 229 HD12 LEU 30 HD12 LEU 30 16.797 -1.334 -11.663 230 HD13 LEU 30 HD13 LEU 30 15.028 -1.226 -11.833 231 HD21 LEU 30 HD21 LEU 30 16.891 -4.806 -10.405 232 HD22 LEU 30 HD22 LEU 30 17.848 -3.351 -10.740 233 HD23 LEU 30 HD23 LEU 30 16.771 -3.396 -9.325 234 H ILE 31 H ILE 31 12.312 -5.360 -12.017 235 HA ILE 31 HA ILE 31 10.290 -5.336 -9.912 236 HB ILE 31 HB ILE 31 9.886 -5.955 -12.875 237 HG12 ILE 31 HG12 ILE 31 9.089 -3.315 -12.459 238 HG13 ILE 31 HG13 ILE 31 10.586 -3.402 -11.524 239 HG21 ILE 31 HG21 ILE 31 8.257 -4.768 -10.630 240 HG22 ILE 31 HG22 ILE 31 7.660 -5.061 -12.289 241 HG23 ILE 31 HG23 ILE 31 8.106 -6.450 -11.260 242 HD11 ILE 31 HD11 ILE 31 11.768 -4.267 -13.501 243 HD12 ILE 31 HD12 ILE 31 10.256 -4.214 -14.445 244 HD13 ILE 31 HD13 ILE 31 10.992 -2.701 -13.857 245 H THR 32 H THR 32 11.808 -7.793 -12.079 246 HA THR 32 HA THR 32 9.940 -9.805 -11.138 247 HB THR 32 HB THR 32 12.675 -9.851 -12.491 248 HG1 THR 32 HG1 THR 32 10.978 -9.100 -13.746 249 HG21 THR 32 HG21 THR 32 12.508 -11.977 -11.350 250 HG22 THR 32 HG22 THR 32 10.878 -12.256 -12.013 251 HG23 THR 32 HG23 THR 32 12.301 -12.212 -13.091 252 H ALA 33 H ALA 33 12.981 -8.501 -9.867 253 HA ALA 33 HA ALA 33 13.227 -10.733 -7.988 254 HB1 ALA 33 HB1 ALA 33 14.661 -8.036 -8.115 255 HB2 ALA 33 HB2 ALA 33 15.111 -9.395 -7.081 256 HB3 ALA 33 HB3 ALA 33 15.249 -9.546 -8.850 257 H GLN 34 H GLN 34 11.856 -7.483 -8.148 258 HA GLN 34 HA GLN 34 10.613 -7.883 -5.535 259 HB2 GLN 34 HB2 GLN 34 12.930 -6.534 -5.746 260 HB3 GLN 34 HB3 GLN 34 11.892 -5.218 -6.226 261 HG2 GLN 34 HG2 GLN 34 10.861 -5.190 -4.017 262 HG3 GLN 34 HG3 GLN 34 11.452 -6.843 -3.692 263 HE21 GLN 34 HE22 GLN 34 13.465 -4.572 -5.410 264 HE22 GLN 34 HE21 GLN 34 14.717 -4.439 -4.215 265 HA PRO 35 HA PRO 35 8.016 -6.413 -9.047 266 HB2 PRO 35 HB2 PRO 35 5.970 -8.267 -8.506 267 HB3 PRO 35 HB3 PRO 35 7.326 -8.430 -9.653 268 HG2 PRO 35 HG2 PRO 35 6.981 -9.869 -7.116 269 HG3 PRO 35 HG3 PRO 35 8.157 -10.145 -8.433 270 HD2 PRO 35 HD2 PRO 35 8.712 -8.905 -5.943 271 HD3 PRO 35 HD3 PRO 35 9.775 -9.243 -7.329 272 H GLN 36 H GLN 36 7.729 -6.726 -5.800 273 HA GLN 36 HA GLN 36 5.681 -4.575 -5.717 274 HB2 GLN 36 HB2 GLN 36 6.661 -6.242 -3.353 275 HB3 GLN 36 HB3 GLN 36 5.374 -5.040 -3.334 276 HG2 GLN 36 HG2 GLN 36 3.937 -6.721 -3.737 277 HG3 GLN 36 HG3 GLN 36 4.609 -6.798 -5.380 278 HE21 GLN 36 HE22 GLN 36 6.541 -8.193 -5.678 279 HE22 GLN 36 HE21 GLN 36 6.782 -9.597 -4.649 280 H ASN 37 H ASN 37 7.956 -3.706 -6.697 281 HA ASN 37 HA ASN 37 8.837 -1.840 -4.583 282 HB2 ASN 37 HB2 ASN 37 10.996 -2.560 -4.597 283 HB3 ASN 37 HB3 ASN 37 10.426 -3.935 -5.515 284 HD21 ASN 37 HD22 ASN 37 10.554 -3.932 -7.772 285 HD22 ASN 37 HD21 ASN 37 11.747 -2.936 -8.607 286 HA PRO 38 HA PRO 38 7.766 0.873 -7.965 287 HB2 PRO 38 HB2 PRO 38 9.382 2.869 -6.479 288 HB3 PRO 38 HB3 PRO 38 7.628 2.910 -6.899 289 HG2 PRO 38 HG2 PRO 38 8.606 2.564 -4.363 290 HG3 PRO 38 HG3 PRO 38 7.148 1.673 -4.924 291 HD2 PRO 38 HD2 PRO 38 10.036 0.708 -4.839 292 HD3 PRO 38 HD3 PRO 38 8.544 -0.098 -4.272 293 H VAL 39 H VAL 39 11.206 1.398 -6.754 294 HA VAL 39 HA VAL 39 11.908 2.775 -9.104 295 HB VAL 39 HB VAL 39 13.186 2.908 -7.129 296 HG11 VAL 39 HG11 VAL 39 13.351 0.731 -6.300 297 HG12 VAL 39 HG12 VAL 39 14.514 0.365 -7.678 298 HG13 VAL 39 HG13 VAL 39 14.885 1.670 -6.507 299 HG21 VAL 39 HG21 VAL 39 14.745 1.669 -9.435 300 HG22 VAL 39 HG22 VAL 39 14.131 3.353 -9.461 301 HG23 VAL 39 HG23 VAL 39 15.395 2.863 -8.281 302 H GLY 40 H GLY 40 11.596 -0.491 -8.541 303 HA2 GLY 40 HA2 GLY 40 12.751 -1.730 -10.914 304 HA3 GLY 40 HA3 GLY 40 11.301 -2.284 -10.161 305 H TYR 41 H TYR 41 9.503 -0.236 -10.510 306 HA TYR 41 HA TYR 41 8.924 -0.381 -13.338 307 HB2 TYR 41 HB2 TYR 41 7.689 1.066 -10.965 308 HB3 TYR 41 HB3 TYR 41 6.948 1.058 -12.522 309 HD1 TYR 41 HD2 TYR 41 6.316 -1.215 -13.585 310 HD2 TYR 41 HD1 TYR 41 7.323 -0.702 -9.448 311 HE1 TYR 41 HE2 TYR 41 5.214 -3.384 -13.060 312 HE2 TYR 41 HE1 TYR 41 6.270 -2.897 -8.913 313 HH TYR 41 HH TYR 41 5.124 -4.707 -9.734 314 H SER 42 H SER 42 10.401 1.965 -11.135 315 HA SER 42 HA SER 42 9.805 4.317 -12.657 316 HB2 SER 42 HB2 SER 42 11.054 5.418 -10.961 317 HB3 SER 42 HB3 SER 42 10.698 3.888 -10.166 318 HG SER 42 HG SER 42 12.968 4.734 -10.311 319 H ASN 43 H ASN 43 12.586 2.063 -12.593 320 HA ASN 43 HA ASN 43 14.257 3.634 -14.345 321 HB2 ASN 43 HB2 ASN 43 14.224 0.780 -13.315 322 HB3 ASN 43 HB3 ASN 43 15.414 1.331 -14.519 323 HD21 ASN 43 HD22 ASN 43 14.136 3.234 -11.747 324 HD22 ASN 43 HD21 ASN 43 15.698 3.421 -10.996 325 H LYS 44 H LYS 44 12.387 0.605 -14.827 326 HA LYS 44 HA LYS 44 12.615 0.348 -17.660 327 HB2 LYS 44 HB2 LYS 44 11.871 -1.348 -16.125 328 HB3 LYS 44 HB3 LYS 44 10.414 -0.408 -15.737 329 HG2 LYS 44 HG2 LYS 44 9.629 -0.613 -18.058 330 HG3 LYS 44 HG3 LYS 44 11.130 -1.458 -18.512 331 HD2 LYS 44 HD2 LYS 44 10.596 -3.268 -16.899 332 HD3 LYS 44 HD3 LYS 44 9.087 -2.434 -16.469 333 HE2 LYS 44 HE2 LYS 44 8.299 -2.631 -18.797 334 HE3 LYS 44 HE3 LYS 44 9.816 -3.426 -19.253 335 HZ1 LYS 44 HZ1 LYS 44 9.260 -5.203 -17.727 336 HZ2 LYS 44 HZ2 LYS 44 7.854 -4.463 -17.315 337 HZ3 LYS 44 HZ3 LYS 44 8.076 -5.012 -18.848 338 H ALA 45 H ALA 45 10.528 2.440 -15.627 339 HA ALA 45 HA ALA 45 8.712 3.076 -17.790 340 HB1 ALA 45 HB1 ALA 45 9.256 4.457 -15.132 341 HB2 ALA 45 HB2 ALA 45 7.900 4.835 -16.229 342 HB3 ALA 45 HB3 ALA 45 8.000 3.244 -15.451 343 H MET 46 H MET 46 11.550 4.816 -16.323 344 HA MET 46 HA MET 46 11.062 7.209 -17.766 345 HB2 MET 46 HB2 MET 46 12.714 6.525 -15.767 346 HB3 MET 46 HB3 MET 46 13.879 6.419 -17.095 347 HG2 MET 46 HG2 MET 46 12.155 8.817 -16.343 348 HG3 MET 46 HG3 MET 46 13.882 8.630 -16.038 349 HE1 MET 46 HE1 MET 46 11.840 10.302 -19.724 350 HE2 MET 46 HE2 MET 46 11.094 9.005 -18.769 351 HE3 MET 46 HE3 MET 46 11.474 10.569 -18.006 352 H ALA 47 H ALA 47 12.788 4.219 -18.568 353 HA ALA 47 HA ALA 47 14.036 5.169 -20.966 354 HB1 ALA 47 HB1 ALA 47 14.278 2.705 -21.382 355 HB2 ALA 47 HB2 ALA 47 14.800 3.192 -19.757 356 HB3 ALA 47 HB3 ALA 47 13.219 2.413 -19.978 357 H LEU 48 H LEU 48 10.782 3.819 -20.256 358 HA LEU 48 HA LEU 48 10.134 3.291 -23.014 359 HB2 LEU 48 HB2 LEU 48 8.443 3.729 -20.528 360 HB3 LEU 48 HB3 LEU 48 7.757 3.314 -22.113 361 HG LEU 48 HG LEU 48 9.862 1.644 -20.703 362 HD11 LEU 48 HD11 LEU 48 7.808 1.734 -19.357 363 HD12 LEU 48 HD12 LEU 48 6.829 1.356 -20.788 364 HD13 LEU 48 HD13 LEU 48 7.955 0.139 -20.132 365 HD21 LEU 48 HD21 LEU 48 9.650 1.355 -23.190 366 HD22 LEU 48 HD22 LEU 48 9.261 -0.098 -22.247 367 HD23 LEU 48 HD23 LEU 48 7.950 0.878 -22.930 368 H ILE 49 H ILE 49 10.096 6.267 -21.073 369 HA ILE 49 HA ILE 49 8.460 7.750 -22.987 370 HB ILE 49 HB ILE 49 10.461 8.424 -20.776 371 HG12 ILE 49 HG12 ILE 49 8.446 9.799 -19.971 372 HG13 ILE 49 HG13 ILE 49 7.490 8.935 -21.181 373 HG21 ILE 49 HG21 ILE 49 9.165 10.421 -22.650 374 HG22 ILE 49 HG22 ILE 49 10.066 10.819 -21.178 375 HG23 ILE 49 HG23 ILE 49 10.915 10.041 -22.525 376 HD11 ILE 49 HD11 ILE 49 9.081 7.678 -18.898 377 HD12 ILE 49 HD12 ILE 49 7.331 7.898 -18.935 378 HD13 ILE 49 HD13 ILE 49 8.103 6.783 -20.093 379 H LYS 50 H LYS 50 12.005 7.426 -22.420 380 HA LYS 50 HA LYS 50 12.779 8.891 -24.699 381 HB2 LYS 50 HB2 LYS 50 13.912 7.459 -22.478 382 HB3 LYS 50 HB3 LYS 50 14.689 6.891 -23.954 383 HG2 LYS 50 HG2 LYS 50 15.903 8.822 -23.149 384 HG3 LYS 50 HG3 LYS 50 15.028 9.293 -24.629 385 HD2 LYS 50 HD2 LYS 50 14.716 11.053 -23.026 386 HD3 LYS 50 HD3 LYS 50 13.175 10.187 -23.084 387 HE2 LYS 50 HE2 LYS 50 13.605 9.112 -21.009 388 HE3 LYS 50 HE3 LYS 50 15.339 9.439 -21.110 389 HZ1 LYS 50 HZ1 LYS 50 13.259 11.501 -20.769 390 HZ2 LYS 50 HZ2 LYS 50 14.222 10.920 -19.562 391 HZ3 LYS 50 HZ3 LYS 50 14.875 11.771 -20.799 392 H LEU 51 H LEU 51 11.342 5.739 -24.545 393 HA LEU 51 HA LEU 51 12.335 5.048 -27.260 394 HB2 LEU 51 HB2 LEU 51 10.742 3.599 -25.110 395 HB3 LEU 51 HB3 LEU 51 11.000 2.942 -26.724 396 HG LEU 51 HG LEU 51 13.317 3.687 -24.886 397 HD11 LEU 51 HD11 LEU 51 11.901 1.019 -25.317 398 HD12 LEU 51 HD12 LEU 51 13.395 1.252 -24.376 399 HD13 LEU 51 HD13 LEU 51 11.874 1.973 -23.817 400 HD21 LEU 51 HD21 LEU 51 14.553 2.126 -26.338 401 HD22 LEU 51 HD22 LEU 51 13.100 1.865 -27.318 402 HD23 LEU 51 HD23 LEU 51 13.879 3.472 -27.284 403 H GLY 52 H GLY 52 9.703 6.333 -25.392 404 HA2 GLY 52 HA2 GLY 52 7.948 7.593 -26.118 405 HA3 GLY 52 HA3 GLY 52 8.205 7.059 -27.780 406 H GLU 53 H GLU 53 8.189 4.503 -25.499 407 HA GLU 53 HA GLU 53 5.416 3.675 -26.125 408 HB2 GLU 53 HB2 GLU 53 7.383 2.287 -24.258 409 HB3 GLU 53 HB3 GLU 53 6.088 1.553 -25.231 410 HG2 GLU 53 HG2 GLU 53 7.531 2.357 -27.277 411 HG3 GLU 53 HG3 GLU 53 8.815 2.559 -26.093 412 H TYR 54 H TYR 54 5.518 5.997 -25.012 413 HA TYR 54 HA TYR 54 5.140 6.413 -22.358 414 HB2 TYR 54 HB2 TYR 54 3.194 7.098 -24.569 415 HB3 TYR 54 HB3 TYR 54 3.292 7.926 -23.139 416 HD1 TYR 54 HD1 TYR 54 6.018 8.752 -22.712 417 HD2 TYR 54 HD2 TYR 54 4.104 8.064 -26.500 418 HE1 TYR 54 HE1 TYR 54 7.609 10.312 -23.802 419 HE2 TYR 54 HE2 TYR 54 5.742 9.548 -27.606 420 HH TYR 54 HH TYR 54 8.316 11.236 -25.785 421 H THR 55 H THR 55 2.963 4.579 -24.596 422 HA THR 55 HA THR 55 0.680 4.490 -22.984 423 HB THR 55 HB THR 55 1.539 2.037 -24.494 424 HG1 THR 55 HG1 THR 55 0.959 3.064 -26.420 425 HG21 THR 55 HG21 THR 55 -0.657 2.186 -23.388 426 HG22 THR 55 HG22 THR 55 -1.009 3.686 -24.283 427 HG23 THR 55 HG23 THR 55 -0.858 2.138 -25.157 428 H GLN 56 H GLN 56 3.581 2.454 -22.983 429 HA GLN 56 HA GLN 56 2.617 0.680 -20.878 430 HB2 GLN 56 HB2 GLN 56 5.356 1.096 -22.148 431 HB3 GLN 56 HB3 GLN 56 4.870 -0.287 -21.147 432 HG2 GLN 56 HG2 GLN 56 3.801 0.529 -23.894 433 HG3 GLN 56 HG3 GLN 56 4.800 -0.877 -23.526 434 HE21 GLN 56 HE22 GLN 56 1.612 0.530 -23.454 435 HE22 GLN 56 HE21 GLN 56 0.732 -0.909 -22.966 436 H ALA 57 H ALA 57 4.836 3.425 -21.250 437 HA ALA 57 HA ALA 57 6.046 3.460 -18.740 438 HB1 ALA 57 HB1 ALA 57 6.330 5.880 -19.210 439 HB2 ALA 57 HB2 ALA 57 6.585 4.928 -20.703 440 HB3 ALA 57 HB3 ALA 57 5.058 5.793 -20.454 441 H ILE 58 H ILE 58 2.874 4.790 -19.731 442 HA ILE 58 HA ILE 58 2.237 6.135 -17.314 443 HB ILE 58 HB ILE 58 0.496 4.758 -19.383 444 HG12 ILE 58 HG12 ILE 58 0.966 7.738 -19.211 445 HG13 ILE 58 HG13 ILE 58 2.174 6.728 -19.984 446 HG21 ILE 58 HG21 ILE 58 -0.257 6.972 -17.425 447 HG22 ILE 58 HG22 ILE 58 -1.298 6.318 -18.691 448 HG23 ILE 58 HG23 ILE 58 -0.812 5.275 -17.329 449 HD11 ILE 58 HD11 ILE 58 -0.770 6.888 -20.783 450 HD12 ILE 58 HD12 ILE 58 0.642 7.488 -21.689 451 HD13 ILE 58 HD13 ILE 58 0.408 5.748 -21.468 452 H GLN 59 H GLN 59 1.885 2.689 -18.347 453 HA GLN 59 HA GLN 59 0.287 1.895 -16.112 454 HB2 GLN 59 HB2 GLN 59 2.105 0.285 -17.932 455 HB3 GLN 59 HB3 GLN 59 0.815 -0.328 -16.867 456 HG2 GLN 59 HG2 GLN 59 0.593 1.313 -19.390 457 HG3 GLN 59 HG3 GLN 59 -0.116 -0.280 -19.040 458 HE21 GLN 59 HE22 GLN 59 -0.898 2.863 -19.481 459 HE22 GLN 59 HE21 GLN 59 -2.277 3.002 -18.396 460 H MET 60 H MET 60 3.787 2.003 -16.807 461 HA MET 60 HA MET 60 4.657 0.428 -14.544 462 HB2 MET 60 HB2 MET 60 6.077 2.673 -16.019 463 HB3 MET 60 HB3 MET 60 6.823 1.502 -14.917 464 HG2 MET 60 HG2 MET 60 5.656 0.975 -17.665 465 HG3 MET 60 HG3 MET 60 7.332 0.915 -17.171 466 HE1 MET 60 HE1 MET 60 3.790 -0.779 -16.354 467 HE2 MET 60 HE2 MET 60 4.336 -0.852 -18.036 468 HE3 MET 60 HE3 MET 60 4.229 -2.350 -17.069 469 H CYS 61 H CYS 61 4.135 3.963 -15.014 470 HA CYS 61 HA CYS 61 5.347 4.678 -12.526 471 HB2 CYS 61 HB2 CYS 61 3.399 6.129 -14.349 472 HB3 CYS 61 HB3 CYS 61 4.275 6.860 -12.974 473 HG CYS 61 HG CYS 61 5.410 7.496 -15.252 474 H GLN 62 H GLN 62 1.824 4.589 -13.466 475 HA GLN 62 HA GLN 62 0.884 4.909 -10.846 476 HB2 GLN 62 HB2 GLN 62 -1.207 3.892 -11.640 477 HB3 GLN 62 HB3 GLN 62 -0.574 5.185 -12.683 478 HG2 GLN 62 HG2 GLN 62 -0.831 3.787 -14.409 479 HG3 GLN 62 HG3 GLN 62 0.530 2.853 -13.766 480 HE21 GLN 62 HE22 GLN 62 0.022 1.084 -12.215 481 HE22 GLN 62 HE21 GLN 62 -1.517 0.268 -12.349 482 H GLN 63 H GLN 63 2.174 1.912 -12.313 483 HA GLN 63 HA GLN 63 1.330 0.124 -10.202 484 HB2 GLN 63 HB2 GLN 63 2.990 0.113 -12.599 485 HB3 GLN 63 HB3 GLN 63 3.932 -0.527 -11.259 486 HG2 GLN 63 HG2 GLN 63 2.810 -2.275 -12.476 487 HG3 GLN 63 HG3 GLN 63 2.231 -2.212 -10.791 488 HE21 GLN 63 HE22 GLN 63 1.454 -1.559 -14.206 489 HE22 GLN 63 HE21 GLN 63 -0.284 -1.475 -13.973 490 H GLY 64 H GLY 64 4.393 2.051 -10.652 491 HA2 GLY 64 HA2 GLY 64 5.764 1.121 -8.472 492 HA3 GLY 64 HA3 GLY 64 5.816 2.798 -9.040 493 H LEU 65 H LEU 65 3.045 3.432 -8.479 494 HA LEU 65 HA LEU 65 3.322 4.336 -5.780 495 HB2 LEU 65 HB2 LEU 65 0.945 4.330 -7.677 496 HB3 LEU 65 HB3 LEU 65 1.024 5.243 -6.157 497 HG LEU 65 HG LEU 65 3.080 5.538 -8.370 498 HD11 LEU 65 HD11 LEU 65 0.742 6.083 -9.129 499 HD12 LEU 65 HD12 LEU 65 0.675 7.320 -7.854 500 HD13 LEU 65 HD13 LEU 65 1.869 7.451 -9.175 501 HD21 LEU 65 HD21 LEU 65 2.361 7.711 -6.403 502 HD22 LEU 65 HD22 LEU 65 3.322 6.343 -5.801 503 HD23 LEU 65 HD23 LEU 65 3.923 7.322 -7.145 504 H ARG 66 H ARG 66 2.520 1.223 -6.739 505 HA ARG 66 HA ARG 66 0.312 0.737 -4.889 506 HB2 ARG 66 HB2 ARG 66 2.156 -0.934 -6.660 507 HB3 ARG 66 HB3 ARG 66 0.784 -1.618 -5.800 508 HG2 ARG 66 HG2 ARG 66 -0.739 -0.055 -6.965 509 HG3 ARG 66 HG3 ARG 66 0.621 0.612 -7.881 510 HD2 ARG 66 HD2 ARG 66 -0.409 -1.053 -9.239 511 HD3 ARG 66 HD3 ARG 66 1.160 -1.681 -8.711 512 HE ARG 66 HE ARG 66 -0.453 -2.708 -6.797 513 HH11 ARG 66 HH11 ARG 66 -0.861 -2.653 -10.312 514 HH12 ARG 66 HH12 ARG 66 -1.809 -4.116 -10.343 515 HH21 ARG 66 HH21 ARG 66 -1.654 -4.634 -6.872 516 HH22 ARG 66 HH22 ARG 66 -2.243 -5.242 -8.403 517 H TYR 67 H TYR 67 3.671 0.978 -4.964 518 HA TYR 67 HA TYR 67 4.081 -0.770 -2.581 519 HB2 TYR 67 HB2 TYR 67 6.098 -0.011 -4.710 520 HB3 TYR 67 HB3 TYR 67 6.164 -1.366 -3.584 521 HD1 TYR 67 HD1 TYR 67 4.106 -3.071 -3.840 522 HD2 TYR 67 HD2 TYR 67 5.419 -0.300 -6.856 523 HE1 TYR 67 HE1 TYR 67 3.054 -4.485 -5.574 524 HE2 TYR 67 HE2 TYR 67 4.234 -1.621 -8.580 525 HH TYR 67 HH TYR 67 2.555 -4.700 -7.811 526 H THR 68 H THR 68 4.213 2.535 -3.555 527 HA THR 68 HA THR 68 6.631 3.255 -2.161 528 HB THR 68 HB THR 68 5.833 5.596 -2.592 529 HG1 THR 68 HG1 THR 68 3.607 5.213 -2.568 530 HG21 THR 68 HG21 THR 68 5.907 3.576 -4.850 531 HG22 THR 68 HG22 THR 68 5.911 5.340 -5.112 532 HG23 THR 68 HG23 THR 68 7.241 4.561 -4.231 533 H SER 69 H SER 69 4.498 1.861 -0.550 534 HA SER 69 HA SER 69 3.281 3.673 1.274 535 HB2 SER 69 HB2 SER 69 4.093 0.752 1.515 536 HB3 SER 69 HB3 SER 69 3.049 1.615 2.663 537 HG SER 69 HG SER 69 1.846 0.500 1.057 538 H THR 70 H THR 70 6.522 3.424 0.885 539 HA THR 70 HA THR 70 7.074 3.979 3.751 540 HB THR 70 HB THR 70 7.563 1.646 3.543 541 HG1 THR 70 HG1 THR 70 9.781 1.700 3.955 542 HG21 THR 70 HG21 THR 70 9.231 0.828 1.852 543 HG22 THR 70 HG22 THR 70 7.702 1.375 1.139 544 HG23 THR 70 HG23 THR 70 9.133 2.421 1.056 545 H ALA 71 H ALA 71 9.226 4.963 4.116 546 HA ALA 71 HA ALA 71 9.498 7.154 2.242 547 HB1 ALA 71 HB1 ALA 71 11.009 6.530 4.807 548 HB2 ALA 71 HB2 ALA 71 10.996 8.082 3.945 549 HB3 ALA 71 HB3 ALA 71 9.503 7.479 4.686 550 H GLU 72 H GLU 72 11.050 4.077 2.316 551 HA GLU 72 HA GLU 72 13.543 5.053 1.129 552 HB2 GLU 72 HB2 GLU 72 13.838 2.670 0.520 553 HB3 GLU 72 HB3 GLU 72 13.553 2.906 2.256 554 HG2 GLU 72 HG2 GLU 72 11.131 2.355 1.856 555 HG3 GLU 72 HG3 GLU 72 11.541 1.970 0.186 556 H HIS 73 H HIS 73 10.336 4.943 0.144 557 HA HIS 73 HA HIS 73 11.046 4.490 -2.712 558 HB2 HIS 73 HB2 HIS 73 8.555 3.855 -1.102 559 HB3 HIS 73 HB3 HIS 73 8.594 3.841 -2.861 560 HD2 HIS 73 HD2 HIS 73 11.858 2.554 -2.266 561 HE1 HIS 73 HE1 HIS 73 9.477 -0.931 -1.740 562 HE2 HIS 73 HE2 HIS 73 11.847 -0.061 -2.123 563 H VAL 74 H VAL 74 10.242 6.899 -0.535 564 HA VAL 74 HA VAL 74 8.314 8.465 -1.882 565 HB VAL 74 HB VAL 74 9.146 8.816 0.411 566 HG11 VAL 74 HG11 VAL 74 11.665 9.967 -0.859 567 HG12 VAL 74 HG12 VAL 74 11.284 9.833 0.869 568 HG13 VAL 74 HG13 VAL 74 11.581 8.365 -0.097 569 HG21 VAL 74 HG21 VAL 74 8.093 10.694 -0.870 570 HG22 VAL 74 HG22 VAL 74 9.286 11.268 0.328 571 HG23 VAL 74 HG23 VAL 74 9.728 11.193 -1.393 572 H ALA 75 H ALA 75 11.686 7.891 -2.502 573 HA ALA 75 HA ALA 75 12.422 10.129 -4.092 574 HB1 ALA 75 HB1 ALA 75 13.915 8.306 -3.177 575 HB2 ALA 75 HB2 ALA 75 13.192 7.192 -4.382 576 HB3 ALA 75 HB3 ALA 75 14.137 8.586 -4.933 577 H ILE 76 H ILE 76 10.723 7.146 -4.751 578 HA ILE 76 HA ILE 76 10.900 7.458 -7.679 579 HB ILE 76 HB ILE 76 9.879 5.279 -5.835 580 HG12 ILE 76 HG12 ILE 76 12.439 5.860 -5.823 581 HG13 ILE 76 HG13 ILE 76 11.924 4.284 -6.026 582 HG21 ILE 76 HG21 ILE 76 10.184 5.558 -8.837 583 HG22 ILE 76 HG22 ILE 76 10.132 3.961 -8.038 584 HG23 ILE 76 HG23 ILE 76 8.751 5.089 -7.906 585 HD11 ILE 76 HD11 ILE 76 12.680 6.322 -8.224 586 HD12 ILE 76 HD12 ILE 76 13.724 5.002 -7.650 587 HD13 ILE 76 HD13 ILE 76 12.249 4.632 -8.579 588 H ARG 77 H ARG 77 8.658 7.350 -4.961 589 HA ARG 77 HA ARG 77 6.165 7.465 -6.291 590 HB2 ARG 77 HB2 ARG 77 6.661 7.336 -3.771 591 HB3 ARG 77 HB3 ARG 77 6.912 9.094 -3.850 592 HG2 ARG 77 HG2 ARG 77 4.544 9.086 -5.040 593 HG3 ARG 77 HG3 ARG 77 4.377 7.496 -4.259 594 HD2 ARG 77 HD2 ARG 77 5.004 8.539 -2.086 595 HD3 ARG 77 HD3 ARG 77 5.107 10.111 -2.895 596 HE ARG 77 HE ARG 77 2.670 8.630 -2.151 597 HH11 ARG 77 HH11 ARG 77 4.025 11.273 -4.085 598 HH12 ARG 77 HH12 ARG 77 2.490 12.084 -4.249 599 HH21 ARG 77 HH21 ARG 77 0.685 9.717 -2.388 600 HH22 ARG 77 HH22 ARG 77 0.603 11.212 -3.291 601 H SER 78 H SER 78 8.696 9.791 -5.936 602 HA SER 78 HA SER 78 7.208 12.159 -6.778 603 HB2 SER 78 HB2 SER 78 9.373 12.036 -5.374 604 HB3 SER 78 HB3 SER 78 10.196 11.521 -6.835 605 HG SER 78 HG SER 78 10.324 13.796 -6.506 606 H LYS 79 H LYS 79 8.904 9.533 -8.390 607 HA LYS 79 HA LYS 79 9.043 10.988 -10.952 608 HB2 LYS 79 HB2 LYS 79 9.901 8.191 -10.068 609 HB3 LYS 79 HB3 LYS 79 10.178 8.893 -11.679 610 HG2 LYS 79 HG2 LYS 79 11.445 10.741 -10.687 611 HG3 LYS 79 HG3 LYS 79 11.168 10.100 -9.051 612 HD2 LYS 79 HD2 LYS 79 12.473 8.100 -9.573 613 HD3 LYS 79 HD3 LYS 79 12.627 8.611 -11.277 614 HE2 LYS 79 HE2 LYS 79 13.648 10.746 -10.464 615 HE3 LYS 79 HE3 LYS 79 13.692 10.072 -8.826 616 HZ1 LYS 79 HZ1 LYS 79 15.117 8.330 -9.624 617 HZ2 LYS 79 HZ2 LYS 79 15.017 8.878 -11.178 618 HZ3 LYS 79 HZ3 LYS 79 15.769 9.773 -10.028 619 H LEU 80 H LEU 80 7.300 8.304 -9.395 620 HA LEU 80 HA LEU 80 5.928 7.307 -11.673 621 HB2 LEU 80 HB2 LEU 80 5.376 7.447 -8.707 622 HB3 LEU 80 HB3 LEU 80 4.238 6.662 -9.799 623 HG LEU 80 HG LEU 80 5.496 4.815 -10.066 624 HD11 LEU 80 HD11 LEU 80 7.311 5.770 -11.336 625 HD12 LEU 80 HD12 LEU 80 8.106 6.320 -9.832 626 HD13 LEU 80 HD13 LEU 80 7.878 4.588 -10.152 627 HD21 LEU 80 HD21 LEU 80 5.236 5.146 -7.643 628 HD22 LEU 80 HD22 LEU 80 6.739 4.264 -8.032 629 HD23 LEU 80 HD23 LEU 80 6.800 5.981 -7.586 630 H GLN 81 H GLN 81 5.713 10.371 -10.220 631 HA GLN 81 HA GLN 81 3.024 10.930 -11.248 632 HB2 GLN 81 HB2 GLN 81 5.017 11.716 -9.160 633 HB3 GLN 81 HB3 GLN 81 4.116 13.090 -9.758 634 HG2 GLN 81 HG2 GLN 81 3.303 11.878 -7.705 635 HG3 GLN 81 HG3 GLN 81 2.082 12.225 -8.993 636 HE21 GLN 81 HE22 GLN 81 4.249 9.661 -7.760 637 HE22 GLN 81 HE21 GLN 81 3.158 8.347 -8.147 638 H TYR 82 H TYR 82 6.402 11.395 -11.985 639 HA TYR 82 HA TYR 82 5.968 13.922 -13.457 640 HB2 TYR 82 HB2 TYR 82 8.046 13.721 -12.302 641 HB3 TYR 82 HB3 TYR 82 8.346 12.116 -12.979 642 HD1 TYR 82 HD1 TYR 82 7.918 15.689 -14.048 643 HD2 TYR 82 HD2 TYR 82 9.609 11.837 -14.881 644 HE1 TYR 82 HE1 TYR 82 9.209 16.674 -15.925 645 HE2 TYR 82 HE2 TYR 82 10.958 12.819 -16.741 646 HH TYR 82 HH TYR 82 10.738 16.295 -17.593 647 H ARG 83 H ARG 83 7.602 10.885 -14.446 648 HA ARG 83 HA ARG 83 6.908 11.413 -17.223 649 HB2 ARG 83 HB2 ARG 83 8.220 9.598 -17.830 650 HB3 ARG 83 HB3 ARG 83 9.099 10.439 -16.571 651 HG2 ARG 83 HG2 ARG 83 7.409 7.959 -16.043 652 HG3 ARG 83 HG3 ARG 83 9.111 7.872 -16.513 653 HD2 ARG 83 HD2 ARG 83 8.169 9.452 -14.115 654 HD3 ARG 83 HD3 ARG 83 8.639 7.751 -14.029 655 HE ARG 83 HE ARG 83 10.423 10.050 -14.800 656 HH11 ARG 83 HH11 ARG 83 10.048 6.750 -13.608 657 HH12 ARG 83 HH12 ARG 83 11.738 6.586 -13.192 658 HH21 ARG 83 HH21 ARG 83 12.589 9.849 -14.169 659 HH22 ARG 83 HH22 ARG 83 13.176 8.352 -13.499 660 H LEU 84 H LEU 84 5.182 10.135 -14.696 661 HA LEU 84 HA LEU 84 3.480 8.302 -16.146 662 HB2 LEU 84 HB2 LEU 84 3.274 8.350 -13.739 663 HB3 LEU 84 HB3 LEU 84 3.196 10.077 -13.686 664 HG LEU 84 HG LEU 84 0.961 10.103 -14.664 665 HD11 LEU 84 HD11 LEU 84 1.061 8.079 -16.088 666 HD12 LEU 84 HD12 LEU 84 1.137 7.056 -14.630 667 HD13 LEU 84 HD13 LEU 84 -0.314 8.026 -14.988 668 HD21 LEU 84 HD21 LEU 84 1.368 9.891 -12.205 669 HD22 LEU 84 HD22 LEU 84 -0.176 9.167 -12.723 670 HD23 LEU 84 HD23 LEU 84 1.230 8.132 -12.363 671 H GLU 85 H GLU 85 3.664 11.853 -15.743 672 HA GLU 85 HA GLU 85 0.988 12.264 -16.858 673 HB2 GLU 85 HB2 GLU 85 3.197 14.027 -15.807 674 HB3 GLU 85 HB3 GLU 85 1.689 14.672 -16.488 675 HG2 GLU 85 HG2 GLU 85 1.799 12.624 -14.228 676 HG3 GLU 85 HG3 GLU 85 1.685 14.374 -14.004 677 H LEU 86 H LEU 86 4.394 12.829 -17.776 678 HA LEU 86 HA LEU 86 3.744 14.365 -20.106 679 HB2 LEU 86 HB2 LEU 86 6.031 14.484 -20.444 680 HB3 LEU 86 HB3 LEU 86 5.870 14.251 -18.689 681 HG LEU 86 HG LEU 86 6.245 11.704 -19.279 682 HD11 LEU 86 HD11 LEU 86 7.530 13.168 -21.642 683 HD12 LEU 86 HD12 LEU 86 7.809 11.469 -21.218 684 HD13 LEU 86 HD13 LEU 86 6.211 11.998 -21.784 685 HD21 LEU 86 HD21 LEU 86 7.725 13.165 -17.945 686 HD22 LEU 86 HD22 LEU 86 8.659 12.078 -18.995 687 HD23 LEU 86 HD23 LEU 86 8.458 13.791 -19.437 688 H ALA 87 H ALA 87 4.315 10.886 -19.543 689 HA ALA 87 HA ALA 87 4.540 10.014 -22.161 690 HB1 ALA 87 HB1 ALA 87 3.377 8.735 -19.646 691 HB2 ALA 87 HB2 ALA 87 3.858 7.834 -21.101 692 HB3 ALA 87 HB3 ALA 87 5.073 8.710 -20.150 693 H GLN 88 H GLN 88 1.585 9.919 -20.043 694 HA GLN 88 HA GLN 88 -0.264 9.204 -22.069 695 HB2 GLN 88 HB2 GLN 88 -1.962 10.087 -20.521 696 HB3 GLN 88 HB3 GLN 88 -0.827 8.863 -19.867 697 HG2 GLN 88 HG2 GLN 88 0.484 10.612 -18.807 698 HG3 GLN 88 HG3 GLN 88 -0.537 11.859 -19.532 699 HE21 GLN 88 HE22 GLN 88 -0.018 9.778 -16.869 700 HE22 GLN 88 HE21 GLN 88 -1.542 9.994 -16.029 701 H GLY 89 H GLY 89 1.272 12.239 -21.435 702 HA2 GLY 89 HA2 GLY 89 -0.744 13.777 -22.957 703 HA3 GLY 89 HA3 GLY 89 0.645 14.413 -22.046 704 H ALA 90 H ALA 90 1.449 11.645 -23.856 705 HA ALA 90 HA ALA 90 2.375 13.166 -26.249 706 HB1 ALA 90 HB1 ALA 90 4.014 11.337 -24.477 707 HB2 ALA 90 HB2 ALA 90 4.592 12.138 -25.949 708 HB3 ALA 90 HB3 ALA 90 4.174 13.123 -24.510 709 H VAL 91 H VAL 91 1.235 10.202 -24.756 710 HA VAL 91 HA VAL 91 2.447 8.132 -26.058 711 HB VAL 91 HB VAL 91 -0.447 8.363 -25.909 712 HG11 VAL 91 HG11 VAL 91 -0.273 5.892 -25.388 713 HG12 VAL 91 HG12 VAL 91 0.485 6.293 -26.951 714 HG13 VAL 91 HG13 VAL 91 1.499 6.048 -25.499 715 HG21 VAL 91 HG21 VAL 91 1.334 7.763 -23.584 716 HG22 VAL 91 HG22 VAL 91 0.211 9.148 -23.878 717 HG23 VAL 91 HG23 VAL 91 -0.438 7.505 -23.650 718 H GLY 92 H GLY 92 -0.315 9.907 -27.257 719 HA2 GLY 92 HA2 GLY 92 0.189 8.974 -30.055 720 HA3 GLY 92 HA3 GLY 92 -1.424 8.924 -29.302 721 H SER 93 H SER 93 0.386 11.647 -28.281 722 HA SER 93 HA SER 93 -1.352 13.558 -29.491 723 HB2 SER 93 HB2 SER 93 1.411 13.926 -28.279 724 HB3 SER 93 HB3 SER 93 0.195 15.194 -28.566 725 HG SER 93 HG SER 93 0.128 14.413 -26.420 726 H VAL 94 H VAL 94 -1.465 13.405 -31.664 727 HA VAL 94 HA VAL 94 0.828 14.552 -33.134 728 HB VAL 94 HB VAL 94 -0.642 12.036 -34.045 729 HG11 VAL 94 HG11 VAL 94 -0.083 13.621 -35.855 730 HG12 VAL 94 HG12 VAL 94 1.587 13.718 -35.282 731 HG13 VAL 94 HG13 VAL 94 0.964 12.181 -35.937 732 HG21 VAL 94 HG21 VAL 94 1.014 11.513 -32.305 733 HG22 VAL 94 HG22 VAL 94 1.595 10.985 -33.895 734 HG23 VAL 94 HG23 VAL 94 2.243 12.476 -33.164 735 H GLN 95 H GLN 95 -0.117 16.420 -33.588 736 HA GLN 95 HA GLN 95 -2.876 16.640 -34.481 737 HB2 GLN 95 HB2 GLN 95 -0.570 18.631 -34.342 738 HB3 GLN 95 HB3 GLN 95 -2.284 19.009 -34.597 739 HG2 GLN 95 HG2 GLN 95 -1.020 17.772 -32.112 740 HG3 GLN 95 HG3 GLN 95 -1.707 19.395 -32.258 741 HE21 GLN 95 HE22 GLN 95 -2.319 16.237 -31.227 742 HE22 GLN 95 HE21 GLN 95 -4.066 16.312 -31.179 743 H ILE 96 H ILE 96 -0.254 15.448 -36.086 744 HA ILE 96 HA ILE 96 -1.158 16.530 -38.694 745 HB ILE 96 HB ILE 96 1.245 16.762 -39.371 746 HG12 ILE 96 HG12 ILE 96 1.794 16.573 -36.373 747 HG13 ILE 96 HG13 ILE 96 2.207 15.318 -37.554 748 HG21 ILE 96 HG21 ILE 96 0.437 18.527 -37.037 749 HG22 ILE 96 HG22 ILE 96 1.510 18.961 -38.388 750 HG23 ILE 96 HG23 ILE 96 -0.207 18.670 -38.695 751 HD11 ILE 96 HD11 ILE 96 3.292 18.166 -37.489 752 HD12 ILE 96 HD12 ILE 96 4.168 16.674 -37.097 753 HD13 ILE 96 HD13 ILE 96 3.636 16.974 -38.766 754 HA PRO 97 HA PRO 97 -0.127 11.904 -38.483 755 HB2 PRO 97 HB2 PRO 97 -2.597 10.765 -38.431 756 HB3 PRO 97 HB3 PRO 97 -1.803 11.383 -36.939 757 HG2 PRO 97 HG2 PRO 97 -3.838 12.808 -38.677 758 HG3 PRO 97 HG3 PRO 97 -3.874 12.583 -36.894 759 HD2 PRO 97 HD2 PRO 97 -2.912 14.859 -38.059 760 HD3 PRO 97 HD3 PRO 97 -2.173 14.176 -36.575 761 H VAL 98 H VAL 98 -0.833 10.216 -40.147 762 HA VAL 98 HA VAL 98 -0.944 11.437 -42.761 763 HB VAL 98 HB VAL 98 -1.164 8.515 -41.993 764 HG11 VAL 98 HG11 VAL 98 -0.391 9.920 -44.594 765 HG12 VAL 98 HG12 VAL 98 -0.343 8.164 -44.321 766 HG13 VAL 98 HG13 VAL 98 -1.895 9.022 -44.325 767 HG21 VAL 98 HG21 VAL 98 0.932 9.512 -41.137 768 HG22 VAL 98 HG22 VAL 98 1.260 8.455 -42.519 769 HG23 VAL 98 HG23 VAL 98 1.252 10.218 -42.742 770 H VAL 99 H VAL 99 -2.946 12.624 -42.567 771 HA VAL 99 HA VAL 99 -5.307 10.950 -43.259 772 HB VAL 99 HB VAL 99 -5.289 13.377 -41.428 773 HG11 VAL 99 HG11 VAL 99 -7.560 11.591 -42.426 774 HG12 VAL 99 HG12 VAL 99 -7.717 12.865 -41.192 775 HG13 VAL 99 HG13 VAL 99 -7.307 13.294 -42.861 776 HG21 VAL 99 HG21 VAL 99 -4.510 11.321 -40.289 777 HG22 VAL 99 HG22 VAL 99 -6.129 11.786 -39.728 778 HG23 VAL 99 HG23 VAL 99 -5.931 10.445 -40.884 779 H GLU 100 H GLU 100 -4.951 11.293 -45.445 780 HA GLU 100 HA GLU 100 -5.502 13.992 -46.476 781 HB2 GLU 100 HB2 GLU 100 -3.104 13.937 -46.446 782 HB3 GLU 100 HB3 GLU 100 -3.058 12.232 -46.967 783 HG2 GLU 100 HG2 GLU 100 -3.629 12.680 -49.142 784 HG3 GLU 100 HG3 GLU 100 -4.417 14.194 -48.659 785 H VAL 101 H VAL 101 -6.470 13.912 -48.525 786 HA VAL 101 HA VAL 101 -6.966 11.259 -49.762 787 HB VAL 101 HB VAL 101 -9.088 13.369 -49.242 788 HG11 VAL 101 HG11 VAL 101 -9.255 10.578 -50.460 789 HG12 VAL 101 HG12 VAL 101 -10.633 11.645 -50.123 790 HG13 VAL 101 HG13 VAL 101 -9.433 12.116 -51.342 791 HG21 VAL 101 HG21 VAL 101 -8.686 10.629 -47.977 792 HG22 VAL 101 HG22 VAL 101 -8.530 12.205 -47.165 793 HG23 VAL 101 HG23 VAL 101 -10.116 11.667 -47.755 794 H ASP 102 H ASP 102 -6.852 11.330 -51.954 795 HA ASP 102 HA ASP 102 -7.069 13.851 -53.398 796 HB2 ASP 102 HB2 ASP 102 -4.723 13.825 -52.505 797 HB3 ASP 102 HB3 ASP 102 -4.442 12.283 -53.303 798 H GLU 103 H GLU 103 -8.322 11.205 -53.174 799 HA GLU 103 HA GLU 103 -8.401 10.535 -56.049 800 HB2 GLU 103 HB2 GLU 103 -8.143 8.204 -55.684 801 HB3 GLU 103 HB3 GLU 103 -6.748 9.022 -54.955 802 HG2 GLU 103 HG2 GLU 103 -9.101 8.416 -53.174 803 HG3 GLU 103 HG3 GLU 103 -8.115 7.070 -53.730 804 H LEU 104 H LEU 104 -10.033 8.291 -55.746 805 HA LEU 104 HA LEU 104 -12.566 9.372 -55.820 806 HB2 LEU 104 HB2 LEU 104 -11.610 6.569 -55.151 807 HB3 LEU 104 HB3 LEU 104 -13.314 6.952 -55.476 808 HG LEU 104 HG LEU 104 -11.392 7.820 -57.560 809 HD11 LEU 104 HD11 LEU 104 -11.642 5.573 -58.617 810 HD12 LEU 104 HD12 LEU 104 -10.712 5.470 -57.101 811 HD13 LEU 104 HD13 LEU 104 -12.421 4.967 -57.139 812 HD21 LEU 104 HD21 LEU 104 -13.880 8.309 -57.414 813 HD22 LEU 104 HD22 LEU 104 -13.538 7.221 -58.798 814 HD23 LEU 104 HD23 LEU 104 -14.149 6.575 -57.243 815 HA PRO 105 HA PRO 105 -14.638 9.519 -51.880 816 HB2 PRO 105 HB2 PRO 105 -16.371 7.421 -53.223 817 HB3 PRO 105 HB3 PRO 105 -16.903 8.854 -52.283 818 HG2 PRO 105 HG2 PRO 105 -16.988 9.032 -54.926 819 HG3 PRO 105 HG3 PRO 105 -16.145 10.348 -54.035 820 HD2 PRO 105 HD2 PRO 105 -14.931 7.870 -55.292 821 HD3 PRO 105 HD3 PRO 105 -14.414 9.556 -55.566 822 H GLU 106 H GLU 106 -15.346 8.126 -50.054 823 HA GLU 106 HA GLU 106 -13.385 6.041 -49.596 824 HB2 GLU 106 HB2 GLU 106 -14.307 6.036 -47.316 825 HB3 GLU 106 HB3 GLU 106 -13.978 7.684 -47.869 826 HG2 GLU 106 HG2 GLU 106 -16.383 7.977 -48.417 827 HG3 GLU 106 HG3 GLU 106 -16.712 6.326 -47.881 828 H GLY 107 H GLY 107 -15.823 5.666 -51.519 829 HA2 GLY 107 HA2 GLY 107 -16.248 2.887 -51.007 830 HA3 GLY 107 HA3 GLY 107 -17.619 3.804 -50.370 831 H TYR 108 H TYR 108 -15.691 4.540 -53.398 832 HA TYR 108 HA TYR 108 -17.872 5.102 -54.974 833 HB2 TYR 108 HB2 TYR 108 -15.332 5.477 -55.096 834 HB3 TYR 108 HB3 TYR 108 -15.238 3.879 -55.835 835 HD1 TYR 108 HD2 TYR 108 -16.585 7.283 -56.093 836 HD2 TYR 108 HD1 TYR 108 -15.937 3.595 -58.189 837 HE1 TYR 108 HE2 TYR 108 -16.648 8.509 -58.203 838 HE2 TYR 108 HE1 TYR 108 -16.285 4.764 -60.356 839 HH TYR 108 HH TYR 108 -16.594 6.801 -61.395 840 H ASP 109 H ASP 109 -18.384 3.982 -57.037 841 HA ASP 109 HA ASP 109 -18.024 1.090 -57.131 842 HB2 ASP 109 HB2 ASP 109 -20.091 1.356 -55.789 843 HB3 ASP 109 HB3 ASP 109 -20.791 2.386 -57.050 844 H ARG 110 H ARG 110 -18.674 0.239 -59.285 845 HA ARG 110 HA ARG 110 -18.907 2.305 -61.395 846 HB2 ARG 110 HB2 ARG 110 -16.491 1.937 -60.789 847 HB3 ARG 110 HB3 ARG 110 -16.655 0.263 -61.331 848 HG2 ARG 110 HG2 ARG 110 -17.201 1.049 -63.617 849 HG3 ARG 110 HG3 ARG 110 -17.166 2.736 -63.050 850 HD2 ARG 110 HD2 ARG 110 -14.786 2.460 -62.432 851 HD3 ARG 110 HD3 ARG 110 -14.832 0.776 -62.983 852 HE ARG 110 HE ARG 110 -15.718 2.480 -65.095 853 HH11 ARG 110 HH11 ARG 110 -12.773 1.672 -63.322 854 HH12 ARG 110 HH12 ARG 110 -11.715 2.052 -64.663 855 HH21 ARG 110 HH21 ARG 110 -14.319 2.974 -66.834 856 HH22 ARG 110 HH22 ARG 110 -12.590 2.791 -66.643 857 H SER 111 H SER 111 -19.870 -0.661 -60.139 858 HA SER 111 HA SER 111 -21.137 -1.425 -62.680 859 HB2 SER 111 HB2 SER 111 -18.938 -2.566 -62.721 860 HB3 SER 111 HB3 SER 111 -19.308 -3.322 -61.156 861 HG SER 111 HG SER 111 -19.844 -4.665 -62.961 862 H1 ALA 701 H1 ALA 701 22.444 20.692 -15.050 863 H2 ALA 701 H2 ALA 701 22.951 19.201 -15.529 864 H3 ALA 701 H3 ALA 701 22.716 19.518 -13.930 865 HA ALA 701 HA ALA 701 20.635 19.470 -15.998 866 HB1 ALA 701 HB1 ALA 701 19.824 17.436 -14.905 867 HB2 ALA 701 HB2 ALA 701 21.494 17.218 -15.465 868 HB3 ALA 701 HB3 ALA 701 21.166 17.502 -13.740 869 H ASP 702 H ASP 702 18.462 18.989 -14.667 870 HA ASP 702 HA ASP 702 18.263 20.770 -12.319 871 HB2 ASP 702 HB2 ASP 702 16.662 21.086 -14.896 872 HB3 ASP 702 HB3 ASP 702 16.335 21.947 -13.380 873 H THR 703 H THR 703 18.123 17.846 -12.879 874 HA THR 703 HA THR 703 15.358 17.281 -11.901 875 HB THR 703 HB THR 703 15.356 15.352 -13.586 876 HG1 THR 703 HG1 THR 703 17.540 15.588 -14.203 877 HG21 THR 703 HG21 THR 703 15.120 18.142 -14.720 878 HG22 THR 703 HG22 THR 703 14.545 16.624 -15.474 879 HG23 THR 703 HG23 THR 703 13.826 17.170 -13.940 880 H GLU 704 H GLU 704 15.135 15.536 -10.730 881 HA GLU 704 HA GLU 704 17.212 13.397 -10.839 882 HB2 GLU 704 HB2 GLU 704 16.241 12.574 -8.756 883 HB3 GLU 704 HB3 GLU 704 16.774 14.250 -8.553 884 HG2 GLU 704 HG2 GLU 704 14.440 15.022 -8.927 885 HG3 GLU 704 HG3 GLU 704 13.918 13.333 -9.082 886 H MET 705 H MET 705 14.276 14.628 -11.924 887 HA MET 705 HA MET 705 12.569 12.396 -12.194 888 HB2 MET 705 HB2 MET 705 12.889 14.793 -14.067 889 HB3 MET 705 HB3 MET 705 11.400 13.901 -13.785 890 HG2 MET 705 HG2 MET 705 12.718 15.437 -11.532 891 HG3 MET 705 HG3 MET 705 11.778 16.278 -12.760 892 HE1 MET 705 HE1 MET 705 11.754 13.228 -10.544 893 HE2 MET 705 HE2 MET 705 10.035 12.936 -10.144 894 HE3 MET 705 HE3 MET 705 10.615 12.640 -11.793 895 H GLU 706 H GLU 706 15.482 13.219 -13.789 896 HA GLU 706 HA GLU 706 14.855 11.362 -16.011 897 HB2 GLU 706 HB2 GLU 706 14.835 13.763 -16.643 898 HB3 GLU 706 HB3 GLU 706 16.530 13.911 -16.182 899 HG2 GLU 706 HG2 GLU 706 17.090 12.159 -17.903 900 HG3 GLU 706 HG3 GLU 706 15.356 11.942 -18.209 901 H GLU 707 H GLU 707 16.040 11.182 -13.266 902 HA GLU 707 HA GLU 707 18.480 9.624 -14.004 903 HB2 GLU 707 HB2 GLU 707 17.577 10.837 -11.348 904 HB3 GLU 707 HB3 GLU 707 18.953 9.745 -11.527 905 HG2 GLU 707 HG2 GLU 707 18.665 12.457 -12.892 906 HG3 GLU 707 HG3 GLU 707 19.627 12.130 -11.449 907 H VAL 708 H VAL 708 18.521 7.561 -12.389 908 HA VAL 708 HA VAL 708 15.958 6.385 -13.218 909 HB VAL 708 HB VAL 708 16.972 4.341 -13.342 910 HG11 VAL 708 HG11 VAL 708 19.064 6.404 -14.133 911 HG12 VAL 708 HG12 VAL 708 18.892 4.775 -14.802 912 HG13 VAL 708 HG13 VAL 708 17.607 5.977 -15.072 913 HG21 VAL 708 HG21 VAL 708 18.277 4.116 -11.300 914 HG22 VAL 708 HG22 VAL 708 19.356 3.918 -12.683 915 HG23 VAL 708 HG23 VAL 708 19.346 5.461 -11.796 916 H ASP 709 H ASP 709 18.020 5.880 -10.242 917 HA ASP 709 HA ASP 709 15.652 4.760 -8.967 918 HB2 ASP 709 HB2 ASP 709 17.193 4.295 -7.080 919 HB3 ASP 709 HB3 ASP 709 17.653 3.554 -8.590 Start of MODEL 2 1 H1 SER 2 H1 SER 2 21.126 -11.860 -2.186 2 H2 SER 2 H2 SER 2 22.263 -12.370 -3.254 3 H3 SER 2 H3 SER 2 20.962 -13.327 -2.921 4 HA SER 2 HA SER 2 20.703 -12.309 -5.052 5 HB2 SER 2 HB2 SER 2 18.481 -11.263 -4.644 6 HB3 SER 2 HB3 SER 2 18.679 -12.792 -3.765 7 HG SER 2 HG SER 2 17.833 -11.137 -2.437 8 H GLN 3 H GLN 3 19.877 -10.154 -6.056 9 HA GLN 3 HA GLN 3 21.200 -7.766 -4.914 10 HB2 GLN 3 HB2 GLN 3 21.819 -9.031 -7.616 11 HB3 GLN 3 HB3 GLN 3 22.186 -7.349 -7.241 12 HG2 GLN 3 HG2 GLN 3 23.279 -9.739 -5.702 13 HG3 GLN 3 HG3 GLN 3 24.154 -8.828 -6.931 14 HE21 GLN 3 HE22 GLN 3 25.010 -9.163 -4.209 15 HE22 GLN 3 HE21 GLN 3 25.044 -7.575 -3.472 16 H PHE 4 H PHE 4 20.641 -5.799 -6.251 17 HA PHE 4 HA PHE 4 18.339 -5.924 -8.047 18 HB2 PHE 4 HB2 PHE 4 17.169 -6.087 -5.899 19 HB3 PHE 4 HB3 PHE 4 18.189 -4.839 -5.197 20 HD1 PHE 4 HD1 PHE 4 17.913 -2.412 -5.924 21 HD2 PHE 4 HD2 PHE 4 15.235 -5.536 -7.190 22 HE1 PHE 4 HE1 PHE 4 16.181 -0.720 -6.451 23 HE2 PHE 4 HE2 PHE 4 13.539 -3.844 -7.754 24 HZ PHE 4 HZ PHE 4 14.049 -1.404 -7.475 25 H GLU 5 H GLU 5 20.316 -4.169 -5.727 26 HA GLU 5 HA GLU 5 20.409 -1.606 -6.756 27 HB2 GLU 5 HB2 GLU 5 22.513 -3.373 -5.465 28 HB3 GLU 5 HB3 GLU 5 22.677 -1.634 -5.639 29 HG2 GLU 5 HG2 GLU 5 20.557 -1.310 -4.336 30 HG3 GLU 5 HG3 GLU 5 20.447 -3.060 -4.100 31 H LYS 6 H LYS 6 22.303 -4.545 -7.884 32 HA LYS 6 HA LYS 6 24.289 -2.977 -9.107 33 HB2 LYS 6 HB2 LYS 6 24.522 -5.191 -8.332 34 HB3 LYS 6 HB3 LYS 6 23.373 -5.815 -9.560 35 HG2 LYS 6 HG2 LYS 6 24.793 -5.140 -11.340 36 HG3 LYS 6 HG3 LYS 6 25.873 -4.209 -10.246 37 HD2 LYS 6 HD2 LYS 6 25.273 -7.088 -9.697 38 HD3 LYS 6 HD3 LYS 6 26.515 -6.701 -10.944 39 HE2 LYS 6 HE2 LYS 6 27.733 -5.348 -9.245 40 HE3 LYS 6 HE3 LYS 6 26.517 -5.781 -8.033 41 HZ1 LYS 6 HZ1 LYS 6 28.286 -7.667 -9.446 42 HZ2 LYS 6 HZ2 LYS 6 28.444 -7.180 -7.880 43 HZ3 LYS 6 HZ3 LYS 6 27.147 -8.081 -8.331 44 H GLN 7 H GLN 7 21.524 -4.851 -10.575 45 HA GLN 7 HA GLN 7 21.881 -3.956 -13.243 46 HB2 GLN 7 HB2 GLN 7 19.400 -4.777 -11.708 47 HB3 GLN 7 HB3 GLN 7 19.593 -4.778 -13.477 48 HG2 GLN 7 HG2 GLN 7 21.828 -6.210 -12.222 49 HG3 GLN 7 HG3 GLN 7 20.283 -6.828 -11.620 50 HE21 GLN 7 HE22 GLN 7 18.592 -7.245 -13.345 51 HE22 GLN 7 HE21 GLN 7 19.159 -7.913 -14.860 52 H LYS 8 H LYS 8 20.682 -2.301 -10.381 53 HA LYS 8 HA LYS 8 19.227 -0.242 -11.871 54 HB2 LYS 8 HB2 LYS 8 18.650 -1.366 -9.637 55 HB3 LYS 8 HB3 LYS 8 19.968 -0.399 -8.951 56 HG2 LYS 8 HG2 LYS 8 18.777 1.676 -9.839 57 HG3 LYS 8 HG3 LYS 8 17.436 0.615 -10.328 58 HD2 LYS 8 HD2 LYS 8 17.011 1.561 -8.096 59 HD3 LYS 8 HD3 LYS 8 17.255 -0.194 -7.990 60 HE2 LYS 8 HE2 LYS 8 19.346 0.006 -6.996 61 HE3 LYS 8 HE3 LYS 8 19.676 1.541 -7.803 62 HZ1 LYS 8 HZ1 LYS 8 18.160 2.605 -6.267 63 HZ2 LYS 8 HZ2 LYS 8 17.818 1.171 -5.530 64 HZ3 LYS 8 HZ3 LYS 8 19.328 1.814 -5.432 65 H GLU 9 H GLU 9 22.404 -0.924 -11.291 66 HA GLU 9 HA GLU 9 23.283 1.944 -11.433 67 HB2 GLU 9 HB2 GLU 9 24.675 -0.471 -10.236 68 HB3 GLU 9 HB3 GLU 9 25.392 1.145 -10.387 69 HG2 GLU 9 HG2 GLU 9 22.694 1.023 -9.135 70 HG3 GLU 9 HG3 GLU 9 23.975 0.242 -8.230 71 H GLN 10 H GLN 10 23.620 -1.377 -12.522 72 HA GLN 10 HA GLN 10 25.471 -0.929 -14.701 73 HB2 GLN 10 HB2 GLN 10 25.416 -3.133 -14.500 74 HB3 GLN 10 HB3 GLN 10 23.989 -3.044 -13.467 75 HG2 GLN 10 HG2 GLN 10 23.559 -4.538 -15.234 76 HG3 GLN 10 HG3 GLN 10 22.522 -3.112 -15.363 77 HE21 GLN 10 HE22 GLN 10 22.089 -3.492 -17.553 78 HE22 GLN 10 HE21 GLN 10 23.300 -3.234 -18.788 79 H GLY 11 H GLY 11 21.938 -1.462 -14.813 80 HA2 GLY 11 HA2 GLY 11 21.665 -0.488 -17.511 81 HA3 GLY 11 HA3 GLY 11 20.376 -0.777 -16.314 82 H ASN 12 H ASN 12 22.013 1.051 -14.461 83 HA ASN 12 HA ASN 12 20.593 3.465 -14.713 84 HB2 ASN 12 HB2 ASN 12 21.912 2.305 -12.828 85 HB3 ASN 12 HB3 ASN 12 23.348 3.101 -13.500 86 HD21 ASN 12 HD22 ASN 12 22.096 3.273 -10.869 87 HD22 ASN 12 HD21 ASN 12 21.825 4.959 -10.565 88 H SER 13 H SER 13 23.468 2.325 -16.423 89 HA SER 13 HA SER 13 23.794 5.121 -17.437 90 HB2 SER 13 HB2 SER 13 25.871 2.922 -17.367 91 HB3 SER 13 HB3 SER 13 26.091 4.607 -17.923 92 HG SER 13 HG SER 13 26.768 4.274 -15.753 93 H LEU 14 H LEU 14 23.036 1.793 -18.343 94 HA LEU 14 HA LEU 14 23.514 2.147 -21.166 95 HB2 LEU 14 HB2 LEU 14 21.780 0.305 -19.474 96 HB3 LEU 14 HB3 LEU 14 21.599 0.308 -21.205 97 HG LEU 14 HG LEU 14 24.197 0.004 -21.326 98 HD11 LEU 14 HD11 LEU 14 23.378 -0.872 -18.576 99 HD12 LEU 14 HD12 LEU 14 24.957 -1.299 -19.322 100 HD13 LEU 14 HD13 LEU 14 24.564 0.413 -18.959 101 HD21 LEU 14 HD21 LEU 14 22.541 -1.707 -22.018 102 HD22 LEU 14 HD22 LEU 14 23.914 -2.437 -21.151 103 HD23 LEU 14 HD23 LEU 14 22.355 -2.213 -20.319 104 H PHE 15 H PHE 15 20.972 3.184 -18.954 105 HA PHE 15 HA PHE 15 19.037 3.913 -20.974 106 HB2 PHE 15 HB2 PHE 15 18.170 3.629 -18.841 107 HB3 PHE 15 HB3 PHE 15 19.571 4.355 -18.057 108 HD1 PHE 15 HD2 PHE 15 16.704 5.367 -20.268 109 HD2 PHE 15 HD1 PHE 15 19.434 6.470 -17.130 110 HE1 PHE 15 HE2 PHE 15 15.455 7.482 -19.916 111 HE2 PHE 15 HE1 PHE 15 18.082 8.450 -16.635 112 HZ PHE 15 HZ PHE 15 16.140 9.031 -18.081 113 H LYS 16 H LYS 16 21.806 5.499 -19.365 114 HA LYS 16 HA LYS 16 21.012 8.088 -20.337 115 HB2 LYS 16 HB2 LYS 16 23.649 7.272 -19.076 116 HB3 LYS 16 HB3 LYS 16 22.899 8.895 -19.101 117 HG2 LYS 16 HG2 LYS 16 20.964 7.903 -17.814 118 HG3 LYS 16 HG3 LYS 16 21.863 6.384 -17.727 119 HD2 LYS 16 HD2 LYS 16 22.314 7.458 -15.701 120 HD3 LYS 16 HD3 LYS 16 23.784 7.731 -16.668 121 HE2 LYS 16 HE2 LYS 16 22.947 9.998 -17.247 122 HE3 LYS 16 HE3 LYS 16 21.435 9.662 -16.361 123 HZ1 LYS 16 HZ1 LYS 16 24.099 9.725 -15.126 124 HZ2 LYS 16 HZ2 LYS 16 23.000 10.951 -15.063 125 HZ3 LYS 16 HZ3 LYS 16 22.655 9.514 -14.360 126 H GLN 17 H GLN 17 22.551 5.485 -21.891 127 HA GLN 17 HA GLN 17 24.553 7.074 -23.367 128 HB2 GLN 17 HB2 GLN 17 23.879 4.134 -23.008 129 HB3 GLN 17 HB3 GLN 17 24.923 4.668 -24.326 130 HG2 GLN 17 HG2 GLN 17 26.341 5.901 -22.695 131 HG3 GLN 17 HG3 GLN 17 25.408 5.205 -21.370 132 HE21 GLN 17 HE22 GLN 17 25.208 2.751 -21.376 133 HE22 GLN 17 HE21 GLN 17 26.602 1.818 -21.889 134 H GLY 18 H GLY 18 21.308 5.764 -23.801 135 HA2 GLY 18 HA2 GLY 18 20.359 6.853 -25.970 136 HA3 GLY 18 HA3 GLY 18 21.677 5.853 -26.733 137 H LEU 19 H LEU 19 21.158 3.877 -24.499 138 HA LEU 19 HA LEU 19 19.383 2.345 -26.304 139 HB2 LEU 19 HB2 LEU 19 20.817 0.405 -25.438 140 HB3 LEU 19 HB3 LEU 19 21.322 1.435 -26.741 141 HG LEU 19 HG LEU 19 22.516 2.714 -24.558 142 HD11 LEU 19 HD11 LEU 19 22.670 -0.286 -24.067 143 HD12 LEU 19 HD12 LEU 19 23.461 1.001 -23.119 144 HD13 LEU 19 HD13 LEU 19 21.688 0.833 -23.097 145 HD21 LEU 19 HD21 LEU 19 23.646 2.114 -26.654 146 HD22 LEU 19 HD22 LEU 19 24.594 1.589 -25.249 147 HD23 LEU 19 HD23 LEU 19 23.650 0.401 -26.173 148 H TYR 20 H TYR 20 17.934 3.527 -24.943 149 HA TYR 20 HA TYR 20 17.306 3.163 -22.302 150 HB2 TYR 20 HB2 TYR 20 15.388 3.178 -24.649 151 HB3 TYR 20 HB3 TYR 20 15.052 3.831 -23.059 152 HD1 TYR 20 HD1 TYR 20 17.372 5.404 -22.368 153 HD2 TYR 20 HD2 TYR 20 15.532 4.883 -26.218 154 HE1 TYR 20 HE1 TYR 20 18.337 7.578 -23.125 155 HE2 TYR 20 HE2 TYR 20 16.505 7.030 -26.984 156 HH TYR 20 HH TYR 20 18.543 9.066 -24.855 157 H ARG 21 H ARG 21 16.717 0.873 -25.029 158 HA ARG 21 HA ARG 21 14.950 -0.812 -23.437 159 HB2 ARG 21 HB2 ARG 21 15.375 -0.430 -26.101 160 HB3 ARG 21 HB3 ARG 21 16.486 -1.781 -25.842 161 HG2 ARG 21 HG2 ARG 21 13.505 -1.628 -25.521 162 HG3 ARG 21 HG3 ARG 21 14.479 -2.760 -26.483 163 HD2 ARG 21 HD2 ARG 21 15.329 -3.745 -24.309 164 HD3 ARG 21 HD3 ARG 21 14.180 -2.700 -23.446 165 HE ARG 21 HE ARG 21 13.607 -5.161 -24.872 166 HH11 ARG 21 HH11 ARG 21 12.202 -2.068 -23.877 167 HH12 ARG 21 HH12 ARG 21 10.565 -2.680 -23.899 168 HH21 ARG 21 HH21 ARG 21 11.461 -5.916 -24.913 169 HH22 ARG 21 HH22 ARG 21 10.150 -4.845 -24.484 170 H GLU 22 H GLU 22 18.399 -0.855 -24.436 171 HA GLU 22 HA GLU 22 18.937 -3.381 -23.215 172 HB2 GLU 22 HB2 GLU 22 20.791 -1.047 -23.790 173 HB3 GLU 22 HB3 GLU 22 21.302 -2.716 -23.428 174 HG2 GLU 22 HG2 GLU 22 20.064 -3.499 -25.432 175 HG3 GLU 22 HG3 GLU 22 19.647 -1.824 -25.829 176 H ALA 23 H ALA 23 18.341 -0.216 -21.955 177 HA ALA 23 HA ALA 23 19.488 -0.763 -19.337 178 HB1 ALA 23 HB1 ALA 23 17.412 1.336 -20.106 179 HB2 ALA 23 HB2 ALA 23 18.565 1.360 -18.757 180 HB3 ALA 23 HB3 ALA 23 19.130 1.521 -20.447 181 H VAL 24 H VAL 24 16.092 -0.679 -20.790 182 HA VAL 24 HA VAL 24 14.871 -1.316 -18.383 183 HB VAL 24 HB VAL 24 13.020 -1.184 -19.375 184 HG11 VAL 24 HG11 VAL 24 14.363 0.645 -20.337 185 HG12 VAL 24 HG12 VAL 24 14.209 -0.220 -21.909 186 HG13 VAL 24 HG13 VAL 24 12.760 0.308 -21.046 187 HG21 VAL 24 HG21 VAL 24 12.727 -3.236 -20.166 188 HG22 VAL 24 HG22 VAL 24 12.166 -2.090 -21.388 189 HG23 VAL 24 HG23 VAL 24 13.728 -2.953 -21.631 190 H HIS 25 H HIS 25 16.053 -3.287 -21.028 191 HA HIS 25 HA HIS 25 14.760 -5.638 -20.142 192 HB2 HIS 25 HB2 HIS 25 15.723 -6.734 -21.933 193 HB3 HIS 25 HB3 HIS 25 15.638 -5.054 -22.461 194 HD2 HIS 25 HD2 HIS 25 18.424 -4.245 -20.791 195 HE1 HIS 25 HE1 HIS 25 20.203 -6.818 -23.676 196 HE2 HIS 25 HE2 HIS 25 20.661 -5.022 -21.915 197 H CYS 26 H CYS 26 17.053 -4.010 -18.534 198 HA CYS 26 HA CYS 26 17.909 -6.450 -17.047 199 HB2 CYS 26 HB2 CYS 26 19.355 -3.794 -17.408 200 HB3 CYS 26 HB3 CYS 26 19.862 -5.088 -16.295 201 HG CYS 26 HG CYS 26 20.040 -6.958 -18.118 202 H TYR 27 H TYR 27 16.593 -3.169 -17.061 203 HA TYR 27 HA TYR 27 16.085 -2.756 -14.272 204 HB2 TYR 27 HB2 TYR 27 14.570 -2.128 -16.819 205 HB3 TYR 27 HB3 TYR 27 14.096 -1.449 -15.327 206 HD1 TYR 27 HD1 TYR 27 17.491 -1.288 -14.812 207 HD2 TYR 27 HD2 TYR 27 14.447 0.364 -17.377 208 HE1 TYR 27 HE1 TYR 27 18.817 0.787 -15.058 209 HE2 TYR 27 HE2 TYR 27 15.734 2.442 -17.599 210 HH TYR 27 HH TYR 27 18.925 2.866 -15.983 211 H ASP 28 H ASP 28 14.480 -4.715 -16.786 212 HA ASP 28 HA ASP 28 12.006 -5.068 -15.488 213 HB2 ASP 28 HB2 ASP 28 12.580 -5.551 -17.866 214 HB3 ASP 28 HB3 ASP 28 13.447 -7.010 -17.315 215 H GLN 29 H GLN 29 15.180 -6.555 -14.884 216 HA GLN 29 HA GLN 29 14.037 -8.660 -13.295 217 HB2 GLN 29 HB2 GLN 29 16.876 -7.620 -13.604 218 HB3 GLN 29 HB3 GLN 29 16.424 -8.971 -12.545 219 HG2 GLN 29 HG2 GLN 29 16.792 -10.247 -14.377 220 HG3 GLN 29 HG3 GLN 29 15.155 -9.773 -14.794 221 HE21 GLN 29 HE22 GLN 29 14.821 -8.626 -16.705 222 HE22 GLN 29 HE21 GLN 29 16.131 -8.044 -17.717 223 H LEU 30 H LEU 30 14.765 -5.278 -12.687 224 HA LEU 30 HA LEU 30 15.041 -5.385 -9.814 225 HB2 LEU 30 HB2 LEU 30 13.647 -3.320 -11.556 226 HB3 LEU 30 HB3 LEU 30 14.214 -3.077 -9.900 227 HG LEU 30 HG LEU 30 15.830 -3.427 -12.396 228 HD11 LEU 30 HD11 LEU 30 15.730 -1.250 -10.267 229 HD12 LEU 30 HD12 LEU 30 16.768 -1.246 -11.713 230 HD13 LEU 30 HD13 LEU 30 14.995 -1.166 -11.884 231 HD21 LEU 30 HD21 LEU 30 16.969 -4.754 -10.633 232 HD22 LEU 30 HD22 LEU 30 17.864 -3.251 -10.928 233 HD23 LEU 30 HD23 LEU 30 16.811 -3.388 -9.503 234 H ILE 31 H ILE 31 12.299 -5.373 -12.102 235 HA ILE 31 HA ILE 31 10.326 -5.341 -9.947 236 HB ILE 31 HB ILE 31 9.864 -5.973 -12.893 237 HG12 ILE 31 HG12 ILE 31 9.051 -3.338 -12.452 238 HG13 ILE 31 HG13 ILE 31 10.564 -3.412 -11.545 239 HG21 ILE 31 HG21 ILE 31 8.268 -4.791 -10.614 240 HG22 ILE 31 HG22 ILE 31 7.639 -5.089 -12.262 241 HG23 ILE 31 HG23 ILE 31 8.121 -6.476 -11.235 242 HD11 ILE 31 HD11 ILE 31 10.187 -4.224 -14.464 243 HD12 ILE 31 HD12 ILE 31 10.908 -2.704 -13.901 244 HD13 ILE 31 HD13 ILE 31 11.718 -4.256 -13.545 245 H THR 32 H THR 32 11.781 -7.849 -12.112 246 HA THR 32 HA THR 32 9.955 -9.839 -11.062 247 HB THR 32 HB THR 32 12.660 -9.920 -12.468 248 HG1 THR 32 HG1 THR 32 10.935 -9.211 -13.717 249 HG21 THR 32 HG21 THR 32 10.851 -12.291 -11.871 250 HG22 THR 32 HG22 THR 32 12.253 -12.302 -12.978 251 HG23 THR 32 HG23 THR 32 12.508 -12.010 -11.258 252 H ALA 33 H ALA 33 13.022 -8.495 -9.903 253 HA ALA 33 HA ALA 33 13.331 -10.688 -7.989 254 HB1 ALA 33 HB1 ALA 33 14.741 -7.985 -8.233 255 HB2 ALA 33 HB2 ALA 33 15.244 -9.326 -7.183 256 HB3 ALA 33 HB3 ALA 33 15.312 -9.516 -8.948 257 H GLN 34 H GLN 34 11.905 -7.478 -8.200 258 HA GLN 34 HA GLN 34 10.739 -7.796 -5.539 259 HB2 GLN 34 HB2 GLN 34 13.026 -6.373 -5.931 260 HB3 GLN 34 HB3 GLN 34 11.904 -5.117 -6.358 261 HG2 GLN 34 HG2 GLN 34 10.859 -5.313 -4.080 262 HG3 GLN 34 HG3 GLN 34 11.952 -6.683 -3.736 263 HE21 GLN 34 HE22 GLN 34 14.317 -5.969 -4.815 264 HE22 GLN 34 HE21 GLN 34 14.904 -4.396 -4.355 265 HA PRO 35 HA PRO 35 8.005 -6.459 -8.985 266 HB2 PRO 35 HB2 PRO 35 6.035 -8.355 -8.458 267 HB3 PRO 35 HB3 PRO 35 7.447 -8.507 -9.551 268 HG2 PRO 35 HG2 PRO 35 7.073 -9.832 -6.921 269 HG3 PRO 35 HG3 PRO 35 8.191 -10.225 -8.263 270 HD2 PRO 35 HD2 PRO 35 8.886 -8.892 -5.887 271 HD3 PRO 35 HD3 PRO 35 9.877 -9.230 -7.328 272 H GLN 36 H GLN 36 7.868 -6.702 -5.727 273 HA GLN 36 HA GLN 36 5.757 -4.619 -5.629 274 HB2 GLN 36 HB2 GLN 36 6.833 -6.162 -3.224 275 HB3 GLN 36 HB3 GLN 36 5.473 -5.036 -3.256 276 HG2 GLN 36 HG2 GLN 36 4.152 -6.836 -3.545 277 HG3 GLN 36 HG3 GLN 36 4.789 -6.924 -5.204 278 HE21 GLN 36 HE22 GLN 36 6.830 -8.149 -5.490 279 HE22 GLN 36 HE21 GLN 36 7.232 -9.487 -4.420 280 H ASN 37 H ASN 37 7.955 -3.697 -6.683 281 HA ASN 37 HA ASN 37 8.858 -1.780 -4.618 282 HB2 ASN 37 HB2 ASN 37 11.024 -2.464 -4.645 283 HB3 ASN 37 HB3 ASN 37 10.464 -3.878 -5.522 284 HD21 ASN 37 HD22 ASN 37 10.599 -3.932 -7.774 285 HD22 ASN 37 HD21 ASN 37 11.741 -2.910 -8.652 286 HA PRO 38 HA PRO 38 7.764 0.865 -8.024 287 HB2 PRO 38 HB2 PRO 38 9.342 2.919 -6.602 288 HB3 PRO 38 HB3 PRO 38 7.577 2.889 -6.964 289 HG2 PRO 38 HG2 PRO 38 8.645 2.621 -4.450 290 HG3 PRO 38 HG3 PRO 38 7.175 1.716 -4.952 291 HD2 PRO 38 HD2 PRO 38 10.063 0.752 -4.907 292 HD3 PRO 38 HD3 PRO 38 8.570 -0.043 -4.318 293 H VAL 39 H VAL 39 11.214 1.437 -6.830 294 HA VAL 39 HA VAL 39 11.898 2.809 -9.179 295 HB VAL 39 HB VAL 39 13.174 2.953 -7.232 296 HG11 VAL 39 HG11 VAL 39 14.878 1.736 -6.586 297 HG12 VAL 39 HG12 VAL 39 13.359 0.776 -6.385 298 HG13 VAL 39 HG13 VAL 39 14.548 0.420 -7.744 299 HG21 VAL 39 HG21 VAL 39 14.132 3.399 -9.553 300 HG22 VAL 39 HG22 VAL 39 15.399 2.899 -8.380 301 HG23 VAL 39 HG23 VAL 39 14.745 1.710 -9.529 302 H GLY 40 H GLY 40 11.604 -0.458 -8.624 303 HA2 GLY 40 HA2 GLY 40 12.739 -1.720 -11.005 304 HA3 GLY 40 HA3 GLY 40 11.299 -2.249 -10.231 305 H TYR 41 H TYR 41 9.511 -0.190 -10.571 306 HA TYR 41 HA TYR 41 8.909 -0.315 -13.406 307 HB2 TYR 41 HB2 TYR 41 7.669 1.076 -11.001 308 HB3 TYR 41 HB3 TYR 41 6.940 1.099 -12.569 309 HD1 TYR 41 HD1 TYR 41 6.307 -1.140 -13.675 310 HD2 TYR 41 HD2 TYR 41 7.319 -0.714 -9.528 311 HE1 TYR 41 HE1 TYR 41 5.229 -3.324 -13.208 312 HE2 TYR 41 HE2 TYR 41 6.268 -2.931 -9.041 313 HH TYR 41 HH TYR 41 4.719 -4.885 -11.625 314 H SER 42 H SER 42 10.408 1.994 -11.193 315 HA SER 42 HA SER 42 9.760 4.372 -12.670 316 HB2 SER 42 HB2 SER 42 11.035 5.470 -10.993 317 HB3 SER 42 HB3 SER 42 10.693 3.930 -10.202 318 HG SER 42 HG SER 42 12.972 4.775 -10.390 319 H ASN 43 H ASN 43 12.491 2.094 -12.717 320 HA ASN 43 HA ASN 43 14.167 3.676 -14.480 321 HB2 ASN 43 HB2 ASN 43 14.124 0.810 -13.453 322 HB3 ASN 43 HB3 ASN 43 15.290 1.364 -14.676 323 HD21 ASN 43 HD22 ASN 43 14.098 3.230 -11.841 324 HD22 ASN 43 HD21 ASN 43 15.676 3.393 -11.120 325 H LYS 44 H LYS 44 12.264 0.652 -14.879 326 HA LYS 44 HA LYS 44 12.425 0.346 -17.701 327 HB2 LYS 44 HB2 LYS 44 11.706 -1.310 -16.100 328 HB3 LYS 44 HB3 LYS 44 10.249 -0.371 -15.725 329 HG2 LYS 44 HG2 LYS 44 9.442 -0.629 -18.033 330 HG3 LYS 44 HG3 LYS 44 10.942 -1.481 -18.479 331 HD2 LYS 44 HD2 LYS 44 10.423 -3.254 -16.824 332 HD3 LYS 44 HD3 LYS 44 8.928 -2.411 -16.388 333 HE2 LYS 44 HE2 LYS 44 8.121 -2.653 -18.723 334 HE3 LYS 44 HE3 LYS 44 9.624 -3.489 -19.152 335 HZ1 LYS 44 HZ1 LYS 44 9.049 -5.204 -17.573 336 HZ2 LYS 44 HZ2 LYS 44 7.659 -4.423 -17.161 337 HZ3 LYS 44 HZ3 LYS 44 7.849 -5.032 -18.677 338 H ALA 45 H ALA 45 10.439 2.508 -15.652 339 HA ALA 45 HA ALA 45 8.611 3.205 -17.798 340 HB1 ALA 45 HB1 ALA 45 9.194 4.538 -15.124 341 HB2 ALA 45 HB2 ALA 45 7.845 4.949 -16.214 342 HB3 ALA 45 HB3 ALA 45 7.916 3.351 -15.450 343 H MET 46 H MET 46 11.367 4.986 -16.192 344 HA MET 46 HA MET 46 11.134 7.298 -17.741 345 HB2 MET 46 HB2 MET 46 12.783 6.442 -15.762 346 HB3 MET 46 HB3 MET 46 13.899 6.348 -17.128 347 HG2 MET 46 HG2 MET 46 12.268 8.779 -16.280 348 HG3 MET 46 HG3 MET 46 13.997 8.525 -15.981 349 HE1 MET 46 HE1 MET 46 11.187 9.106 -18.655 350 HE2 MET 46 HE2 MET 46 11.666 10.607 -17.837 351 HE3 MET 46 HE3 MET 46 11.988 10.403 -19.571 352 H ALA 47 H ALA 47 12.774 4.213 -18.498 353 HA ALA 47 HA ALA 47 14.042 5.133 -20.892 354 HB1 ALA 47 HB1 ALA 47 13.134 2.379 -19.975 355 HB2 ALA 47 HB2 ALA 47 14.222 2.684 -21.350 356 HB3 ALA 47 HB3 ALA 47 14.733 3.116 -19.702 357 H LEU 48 H LEU 48 10.787 3.735 -20.225 358 HA LEU 48 HA LEU 48 10.097 3.346 -22.967 359 HB2 LEU 48 HB2 LEU 48 8.469 3.731 -20.442 360 HB3 LEU 48 HB3 LEU 48 7.727 3.434 -22.025 361 HG LEU 48 HG LEU 48 9.830 1.591 -20.823 362 HD11 LEU 48 HD11 LEU 48 7.879 0.141 -20.225 363 HD12 LEU 48 HD12 LEU 48 7.873 1.691 -19.341 364 HD13 LEU 48 HD13 LEU 48 6.788 1.460 -20.727 365 HD21 LEU 48 HD21 LEU 48 9.504 1.438 -23.279 366 HD22 LEU 48 HD22 LEU 48 8.961 -0.025 -22.430 367 HD23 LEU 48 HD23 LEU 48 7.766 1.149 -23.008 368 H ILE 49 H ILE 49 10.106 6.284 -20.952 369 HA ILE 49 HA ILE 49 8.502 7.828 -22.840 370 HB ILE 49 HB ILE 49 10.503 8.436 -20.605 371 HG12 ILE 49 HG12 ILE 49 8.514 9.816 -19.772 372 HG13 ILE 49 HG13 ILE 49 7.540 8.985 -20.995 373 HG21 ILE 49 HG21 ILE 49 9.227 10.486 -22.435 374 HG22 ILE 49 HG22 ILE 49 10.145 10.844 -20.962 375 HG23 ILE 49 HG23 ILE 49 10.973 10.080 -22.330 376 HD11 ILE 49 HD11 ILE 49 7.380 7.889 -18.773 377 HD12 ILE 49 HD12 ILE 49 8.137 6.803 -19.956 378 HD13 ILE 49 HD13 ILE 49 9.130 7.663 -18.747 379 H LYS 50 H LYS 50 12.046 7.449 -22.276 380 HA LYS 50 HA LYS 50 12.819 8.897 -24.569 381 HB2 LYS 50 HB2 LYS 50 13.948 7.469 -22.349 382 HB3 LYS 50 HB3 LYS 50 14.710 6.880 -23.832 383 HG2 LYS 50 HG2 LYS 50 15.956 8.797 -23.079 384 HG3 LYS 50 HG3 LYS 50 15.044 9.288 -24.525 385 HD2 LYS 50 HD2 LYS 50 14.789 11.051 -22.945 386 HD3 LYS 50 HD3 LYS 50 13.245 10.191 -22.899 387 HE2 LYS 50 HE2 LYS 50 13.773 9.163 -20.832 388 HE3 LYS 50 HE3 LYS 50 15.512 9.424 -21.055 389 HZ1 LYS 50 HZ1 LYS 50 14.557 10.957 -19.447 390 HZ2 LYS 50 HZ2 LYS 50 15.168 11.769 -20.734 391 HZ3 LYS 50 HZ3 LYS 50 13.546 11.572 -20.589 392 H LEU 51 H LEU 51 11.213 5.870 -24.416 393 HA LEU 51 HA LEU 51 12.201 5.039 -27.097 394 HB2 LEU 51 HB2 LEU 51 10.657 3.686 -24.871 395 HB3 LEU 51 HB3 LEU 51 10.822 2.990 -26.485 396 HG LEU 51 HG LEU 51 13.232 3.743 -24.765 397 HD11 LEU 51 HD11 LEU 51 11.873 2.028 -23.608 398 HD12 LEU 51 HD12 LEU 51 11.845 1.049 -25.100 399 HD13 LEU 51 HD13 LEU 51 13.375 1.333 -24.242 400 HD21 LEU 51 HD21 LEU 51 12.904 1.935 -27.188 401 HD22 LEU 51 HD22 LEU 51 13.703 3.530 -27.166 402 HD23 LEU 51 HD23 LEU 51 14.396 2.164 -26.254 403 H GLY 52 H GLY 52 9.794 6.765 -25.403 404 HA2 GLY 52 HA2 GLY 52 7.899 7.805 -26.005 405 HA3 GLY 52 HA3 GLY 52 8.191 7.340 -27.684 406 H GLU 53 H GLU 53 8.220 4.806 -25.381 407 HA GLU 53 HA GLU 53 5.549 3.786 -26.113 408 HB2 GLU 53 HB2 GLU 53 7.931 2.669 -24.544 409 HB3 GLU 53 HB3 GLU 53 6.457 1.732 -24.918 410 HG2 GLU 53 HG2 GLU 53 8.188 3.009 -27.081 411 HG3 GLU 53 HG3 GLU 53 8.522 1.408 -26.451 412 H TYR 54 H TYR 54 5.571 6.086 -24.919 413 HA TYR 54 HA TYR 54 5.180 6.417 -22.250 414 HB2 TYR 54 HB2 TYR 54 3.273 7.145 -24.486 415 HB3 TYR 54 HB3 TYR 54 3.316 7.945 -23.037 416 HD1 TYR 54 HD2 TYR 54 6.118 8.707 -22.553 417 HD2 TYR 54 HD1 TYR 54 4.086 8.254 -26.303 418 HE1 TYR 54 HE2 TYR 54 7.703 10.307 -23.608 419 HE2 TYR 54 HE1 TYR 54 5.711 9.790 -27.390 420 HH TYR 54 HH TYR 54 7.531 11.159 -27.080 421 H THR 55 H THR 55 3.009 4.673 -24.569 422 HA THR 55 HA THR 55 0.710 4.549 -22.981 423 HB THR 55 HB THR 55 1.569 2.127 -24.548 424 HG1 THR 55 HG1 THR 55 0.969 3.220 -26.438 425 HG21 THR 55 HG21 THR 55 -0.626 2.254 -23.423 426 HG22 THR 55 HG22 THR 55 -0.985 3.754 -24.309 427 HG23 THR 55 HG23 THR 55 -0.815 2.207 -25.192 428 H GLN 56 H GLN 56 3.622 2.548 -22.979 429 HA GLN 56 HA GLN 56 2.620 0.716 -20.934 430 HB2 GLN 56 HB2 GLN 56 5.383 1.141 -22.151 431 HB3 GLN 56 HB3 GLN 56 4.865 -0.262 -21.196 432 HG2 GLN 56 HG2 GLN 56 3.860 0.639 -23.937 433 HG3 GLN 56 HG3 GLN 56 4.836 -0.786 -23.599 434 HE21 GLN 56 HE22 GLN 56 1.662 0.654 -23.514 435 HE22 GLN 56 HE21 GLN 56 0.760 -0.794 -23.092 436 H ALA 57 H ALA 57 4.852 3.469 -21.215 437 HA ALA 57 HA ALA 57 6.046 3.438 -18.694 438 HB1 ALA 57 HB1 ALA 57 6.370 5.856 -19.124 439 HB2 ALA 57 HB2 ALA 57 6.603 4.940 -20.637 440 HB3 ALA 57 HB3 ALA 57 5.093 5.820 -20.361 441 H ILE 58 H ILE 58 2.881 4.770 -19.685 442 HA ILE 58 HA ILE 58 2.219 6.089 -17.249 443 HB ILE 58 HB ILE 58 0.510 4.753 -19.369 444 HG12 ILE 58 HG12 ILE 58 0.988 7.729 -19.154 445 HG13 ILE 58 HG13 ILE 58 2.212 6.720 -19.910 446 HG21 ILE 58 HG21 ILE 58 -0.832 5.253 -17.321 447 HG22 ILE 58 HG22 ILE 58 -0.282 6.948 -17.395 448 HG23 ILE 58 HG23 ILE 58 -1.293 6.292 -18.690 449 HD11 ILE 58 HD11 ILE 58 0.730 7.481 -21.642 450 HD12 ILE 58 HD12 ILE 58 0.453 5.746 -21.418 451 HD13 ILE 58 HD13 ILE 58 -0.715 6.908 -20.762 452 H GLN 59 H GLN 59 1.905 2.660 -18.345 453 HA GLN 59 HA GLN 59 0.288 1.828 -16.133 454 HB2 GLN 59 HB2 GLN 59 2.109 0.252 -17.982 455 HB3 GLN 59 HB3 GLN 59 0.816 -0.379 -16.933 456 HG2 GLN 59 HG2 GLN 59 0.601 1.313 -19.424 457 HG3 GLN 59 HG3 GLN 59 -0.102 -0.285 -19.102 458 HE21 GLN 59 HE22 GLN 59 -0.885 2.857 -19.492 459 HE22 GLN 59 HE21 GLN 59 -2.274 2.979 -18.414 460 H MET 60 H MET 60 3.784 1.953 -16.825 461 HA MET 60 HA MET 60 4.686 0.370 -14.583 462 HB2 MET 60 HB2 MET 60 6.052 2.681 -16.000 463 HB3 MET 60 HB3 MET 60 6.823 1.511 -14.917 464 HG2 MET 60 HG2 MET 60 5.673 0.989 -17.668 465 HG3 MET 60 HG3 MET 60 7.359 0.977 -17.176 466 HE1 MET 60 HE1 MET 60 4.340 -2.385 -17.040 467 HE2 MET 60 HE2 MET 60 3.884 -0.821 -16.316 468 HE3 MET 60 HE3 MET 60 4.392 -0.891 -18.015 469 H CYS 61 H CYS 61 4.066 3.887 -14.968 470 HA CYS 61 HA CYS 61 5.259 4.570 -12.462 471 HB2 CYS 61 HB2 CYS 61 3.255 6.013 -14.230 472 HB3 CYS 61 HB3 CYS 61 4.092 6.724 -12.834 473 HG CYS 61 HG CYS 61 5.384 5.337 -15.537 474 H GLN 62 H GLN 62 1.746 4.508 -13.368 475 HA GLN 62 HA GLN 62 0.798 4.738 -10.746 476 HB2 GLN 62 HB2 GLN 62 -1.286 3.708 -11.583 477 HB3 GLN 62 HB3 GLN 62 -0.662 5.035 -12.587 478 HG2 GLN 62 HG2 GLN 62 -0.878 3.672 -14.350 479 HG3 GLN 62 HG3 GLN 62 0.486 2.740 -13.705 480 HE21 GLN 62 HE22 GLN 62 -0.088 1.012 -12.062 481 HE22 GLN 62 HE21 GLN 62 -1.592 0.150 -12.283 482 H GLN 63 H GLN 63 2.117 1.787 -12.282 483 HA GLN 63 HA GLN 63 1.328 -0.024 -10.164 484 HB2 GLN 63 HB2 GLN 63 2.966 0.004 -12.581 485 HB3 GLN 63 HB3 GLN 63 3.900 -0.681 -11.254 486 HG2 GLN 63 HG2 GLN 63 2.729 -2.384 -12.515 487 HG3 GLN 63 HG3 GLN 63 2.168 -2.351 -10.826 488 HE21 GLN 63 HE22 GLN 63 1.354 -1.455 -14.196 489 HE22 GLN 63 HE21 GLN 63 -0.379 -1.385 -13.930 490 H GLY 64 H GLY 64 4.353 1.936 -10.684 491 HA2 GLY 64 HA2 GLY 64 5.779 1.033 -8.523 492 HA3 GLY 64 HA3 GLY 64 5.797 2.705 -9.101 493 H LEU 65 H LEU 65 3.087 3.390 -8.519 494 HA LEU 65 HA LEU 65 3.346 4.246 -5.815 495 HB2 LEU 65 HB2 LEU 65 0.968 4.272 -7.708 496 HB3 LEU 65 HB3 LEU 65 1.073 5.212 -6.203 497 HG LEU 65 HG LEU 65 3.092 5.436 -8.460 498 HD11 LEU 65 HD11 LEU 65 0.769 7.299 -7.857 499 HD12 LEU 65 HD12 LEU 65 1.923 7.391 -9.214 500 HD13 LEU 65 HD13 LEU 65 0.743 6.064 -9.132 501 HD21 LEU 65 HD21 LEU 65 4.003 7.235 -7.287 502 HD22 LEU 65 HD22 LEU 65 2.492 7.573 -6.416 503 HD23 LEU 65 HD23 LEU 65 3.526 6.208 -5.939 504 H ARG 66 H ARG 66 2.521 1.134 -6.780 505 HA ARG 66 HA ARG 66 0.322 0.662 -4.913 506 HB2 ARG 66 HB2 ARG 66 2.193 -1.026 -6.640 507 HB3 ARG 66 HB3 ARG 66 0.832 -1.708 -5.766 508 HG2 ARG 66 HG2 ARG 66 -0.716 -0.187 -6.974 509 HG3 ARG 66 HG3 ARG 66 0.645 0.471 -7.895 510 HD2 ARG 66 HD2 ARG 66 -0.380 -1.235 -9.224 511 HD3 ARG 66 HD3 ARG 66 1.214 -1.798 -8.712 512 HE ARG 66 HE ARG 66 -0.322 -2.870 -6.767 513 HH11 ARG 66 HH11 ARG 66 -0.802 -2.869 -10.276 514 HH12 ARG 66 HH12 ARG 66 -1.692 -4.369 -10.267 515 HH21 ARG 66 HH21 ARG 66 -1.464 -4.826 -6.791 516 HH22 ARG 66 HH22 ARG 66 -2.048 -5.491 -8.297 517 H TYR 67 H TYR 67 3.678 0.942 -4.995 518 HA TYR 67 HA TYR 67 4.122 -0.754 -2.585 519 HB2 TYR 67 HB2 TYR 67 6.113 0.033 -4.722 520 HB3 TYR 67 HB3 TYR 67 6.214 -1.306 -3.579 521 HD1 TYR 67 HD1 TYR 67 4.208 -3.067 -3.786 522 HD2 TYR 67 HD2 TYR 67 5.439 -0.338 -6.876 523 HE1 TYR 67 HE1 TYR 67 3.192 -4.551 -5.480 524 HE2 TYR 67 HE2 TYR 67 4.264 -1.723 -8.561 525 HH TYR 67 HH TYR 67 2.640 -4.806 -7.708 526 H THR 68 H THR 68 4.221 2.546 -3.634 527 HA THR 68 HA THR 68 6.620 3.314 -2.223 528 HB THR 68 HB THR 68 5.811 5.637 -2.724 529 HG1 THR 68 HG1 THR 68 3.587 5.215 -2.698 530 HG21 THR 68 HG21 THR 68 7.233 4.544 -4.334 531 HG22 THR 68 HG22 THR 68 5.876 3.590 -4.960 532 HG23 THR 68 HG23 THR 68 5.917 5.349 -5.221 533 H SER 69 H SER 69 4.495 1.935 -0.608 534 HA SER 69 HA SER 69 3.272 3.832 1.163 535 HB2 SER 69 HB2 SER 69 3.897 0.864 1.392 536 HB3 SER 69 HB3 SER 69 2.972 1.790 2.586 537 HG SER 69 HG SER 69 2.341 1.506 -0.181 538 H THR 70 H THR 70 6.478 3.517 0.807 539 HA THR 70 HA THR 70 7.041 4.012 3.685 540 HB THR 70 HB THR 70 7.495 1.672 3.403 541 HG1 THR 70 HG1 THR 70 9.718 1.706 3.847 542 HG21 THR 70 HG21 THR 70 9.111 2.508 0.960 543 HG22 THR 70 HG22 THR 70 9.174 0.891 1.711 544 HG23 THR 70 HG23 THR 70 7.664 1.483 0.995 545 H ALA 71 H ALA 71 9.174 4.994 4.062 546 HA ALA 71 HA ALA 71 9.469 7.202 2.207 547 HB1 ALA 71 HB1 ALA 71 10.947 6.547 4.785 548 HB2 ALA 71 HB2 ALA 71 10.959 8.108 3.922 549 HB3 ALA 71 HB3 ALA 71 9.452 7.515 4.642 550 H GLU 72 H GLU 72 10.995 4.115 2.242 551 HA GLU 72 HA GLU 72 13.499 5.109 1.089 552 HB2 GLU 72 HB2 GLU 72 13.820 2.728 0.496 553 HB3 GLU 72 HB3 GLU 72 13.497 2.963 2.223 554 HG2 GLU 72 HG2 GLU 72 11.102 2.393 1.795 555 HG3 GLU 72 HG3 GLU 72 11.522 2.011 0.119 556 H HIS 73 H HIS 73 10.303 4.964 0.086 557 HA HIS 73 HA HIS 73 11.016 4.516 -2.776 558 HB2 HIS 73 HB2 HIS 73 8.521 3.885 -1.180 559 HB3 HIS 73 HB3 HIS 73 8.572 3.880 -2.935 560 HD2 HIS 73 HD2 HIS 73 11.843 2.584 -2.314 561 HE1 HIS 73 HE1 HIS 73 9.450 -0.896 -1.793 562 HE2 HIS 73 HE2 HIS 73 11.819 -0.031 -2.190 563 H VAL 74 H VAL 74 10.216 6.920 -0.591 564 HA VAL 74 HA VAL 74 8.298 8.500 -1.934 565 HB VAL 74 HB VAL 74 9.126 8.840 0.359 566 HG11 VAL 74 HG11 VAL 74 11.657 9.984 -0.893 567 HG12 VAL 74 HG12 VAL 74 11.268 9.842 0.833 568 HG13 VAL 74 HG13 VAL 74 11.559 8.378 -0.130 569 HG21 VAL 74 HG21 VAL 74 8.086 10.733 -0.916 570 HG22 VAL 74 HG22 VAL 74 9.279 11.291 0.290 571 HG23 VAL 74 HG23 VAL 74 9.722 11.221 -1.435 572 H ALA 75 H ALA 75 11.655 7.893 -2.551 573 HA ALA 75 HA ALA 75 12.413 10.138 -4.126 574 HB1 ALA 75 HB1 ALA 75 13.193 7.202 -4.391 575 HB2 ALA 75 HB2 ALA 75 14.142 8.595 -4.952 576 HB3 ALA 75 HB3 ALA 75 13.904 8.337 -3.196 577 H ILE 76 H ILE 76 10.682 7.178 -4.815 578 HA ILE 76 HA ILE 76 10.929 7.495 -7.746 579 HB ILE 76 HB ILE 76 9.907 5.295 -5.918 580 HG12 ILE 76 HG12 ILE 76 12.447 5.899 -5.859 581 HG13 ILE 76 HG13 ILE 76 11.975 4.320 -6.089 582 HG21 ILE 76 HG21 ILE 76 10.248 5.589 -8.911 583 HG22 ILE 76 HG22 ILE 76 10.219 3.982 -8.113 584 HG23 ILE 76 HG23 ILE 76 8.814 5.079 -8.001 585 HD11 ILE 76 HD11 ILE 76 12.369 4.689 -8.623 586 HD12 ILE 76 HD12 ILE 76 12.726 6.395 -8.258 587 HD13 ILE 76 HD13 ILE 76 13.802 5.112 -7.652 588 H ARG 77 H ARG 77 8.664 7.363 -5.060 589 HA ARG 77 HA ARG 77 6.177 7.455 -6.407 590 HB2 ARG 77 HB2 ARG 77 6.636 7.344 -3.887 591 HB3 ARG 77 HB3 ARG 77 6.931 9.091 -3.964 592 HG2 ARG 77 HG2 ARG 77 4.574 9.198 -5.128 593 HG3 ARG 77 HG3 ARG 77 4.356 7.571 -4.441 594 HD2 ARG 77 HD2 ARG 77 4.977 8.476 -2.211 595 HD3 ARG 77 HD3 ARG 77 5.155 10.088 -2.943 596 HE ARG 77 HE ARG 77 2.547 9.100 -3.534 597 HH11 ARG 77 HH11 ARG 77 4.430 10.225 -0.766 598 HH12 ARG 77 HH12 ARG 77 3.025 10.801 0.109 599 HH21 ARG 77 HH21 ARG 77 0.736 9.840 -2.377 600 HH22 ARG 77 HH22 ARG 77 0.934 10.570 -0.799 601 H SER 78 H SER 78 8.707 9.781 -6.022 602 HA SER 78 HA SER 78 7.238 12.147 -6.882 603 HB2 SER 78 HB2 SER 78 9.361 12.012 -5.427 604 HB3 SER 78 HB3 SER 78 10.226 11.550 -6.888 605 HG SER 78 HG SER 78 9.540 13.541 -7.821 606 H LYS 79 H LYS 79 8.885 9.510 -8.518 607 HA LYS 79 HA LYS 79 9.065 11.027 -11.046 608 HB2 LYS 79 HB2 LYS 79 9.794 8.126 -10.442 609 HB3 LYS 79 HB3 LYS 79 10.283 9.092 -11.842 610 HG2 LYS 79 HG2 LYS 79 11.528 10.631 -10.303 611 HG3 LYS 79 HG3 LYS 79 11.104 9.555 -8.948 612 HD2 LYS 79 HD2 LYS 79 12.210 7.658 -10.152 613 HD3 LYS 79 HD3 LYS 79 12.706 8.794 -11.427 614 HE2 LYS 79 HE2 LYS 79 13.857 10.163 -9.680 615 HE3 LYS 79 HE3 LYS 79 13.478 8.899 -8.490 616 HZ1 LYS 79 HZ1 LYS 79 15.168 8.655 -10.883 617 HZ2 LYS 79 HZ2 LYS 79 15.634 8.514 -9.319 618 HZ3 LYS 79 HZ3 LYS 79 14.685 7.359 -9.991 619 H LEU 80 H LEU 80 7.312 8.351 -9.528 620 HA LEU 80 HA LEU 80 5.897 7.376 -11.812 621 HB2 LEU 80 HB2 LEU 80 5.471 7.403 -8.816 622 HB3 LEU 80 HB3 LEU 80 4.292 6.652 -9.881 623 HG LEU 80 HG LEU 80 5.534 4.841 -10.313 624 HD11 LEU 80 HD11 LEU 80 8.164 6.310 -9.999 625 HD12 LEU 80 HD12 LEU 80 7.922 4.597 -10.422 626 HD13 LEU 80 HD13 LEU 80 7.363 5.857 -11.529 627 HD21 LEU 80 HD21 LEU 80 5.305 4.986 -7.888 628 HD22 LEU 80 HD22 LEU 80 6.846 4.196 -8.308 629 HD23 LEU 80 HD23 LEU 80 6.828 5.892 -7.774 630 H GLN 81 H GLN 81 5.697 10.397 -10.257 631 HA GLN 81 HA GLN 81 2.964 10.894 -11.199 632 HB2 GLN 81 HB2 GLN 81 4.984 11.725 -9.146 633 HB3 GLN 81 HB3 GLN 81 4.022 13.072 -9.711 634 HG2 GLN 81 HG2 GLN 81 3.340 11.771 -7.638 635 HG3 GLN 81 HG3 GLN 81 2.062 12.178 -8.853 636 HE21 GLN 81 HE22 GLN 81 4.243 9.575 -7.797 637 HE22 GLN 81 HE21 GLN 81 3.138 8.272 -8.196 638 H TYR 82 H TYR 82 6.261 11.339 -12.071 639 HA TYR 82 HA TYR 82 5.711 13.854 -13.575 640 HB2 TYR 82 HB2 TYR 82 7.749 13.947 -12.367 641 HB3 TYR 82 HB3 TYR 82 8.173 12.283 -12.811 642 HD1 TYR 82 HD2 TYR 82 7.594 15.623 -14.451 643 HD2 TYR 82 HD1 TYR 82 9.623 11.845 -14.488 644 HE1 TYR 82 HE2 TYR 82 9.011 16.406 -16.342 645 HE2 TYR 82 HE1 TYR 82 11.109 12.637 -16.326 646 HH TYR 82 HH TYR 82 11.597 14.374 -17.759 647 H ARG 83 H ARG 83 7.464 10.739 -14.239 648 HA ARG 83 HA ARG 83 6.970 11.228 -17.062 649 HB2 ARG 83 HB2 ARG 83 8.436 9.554 -17.595 650 HB3 ARG 83 HB3 ARG 83 9.153 10.348 -16.222 651 HG2 ARG 83 HG2 ARG 83 7.610 7.740 -15.991 652 HG3 ARG 83 HG3 ARG 83 9.334 7.824 -16.346 653 HD2 ARG 83 HD2 ARG 83 8.994 9.475 -14.065 654 HD3 ARG 83 HD3 ARG 83 8.009 8.012 -13.803 655 HE ARG 83 HE ARG 83 9.931 6.667 -13.863 656 HH11 ARG 83 HH11 ARG 83 10.728 10.063 -14.417 657 HH12 ARG 83 HH12 ARG 83 12.436 9.834 -14.106 658 HH21 ARG 83 HH21 ARG 83 12.161 6.411 -13.425 659 HH22 ARG 83 HH22 ARG 83 13.229 7.787 -13.489 660 H LEU 84 H LEU 84 5.151 10.075 -14.633 661 HA LEU 84 HA LEU 84 3.467 8.191 -16.076 662 HB2 LEU 84 HB2 LEU 84 3.236 8.261 -13.671 663 HB3 LEU 84 HB3 LEU 84 3.181 9.987 -13.638 664 HG LEU 84 HG LEU 84 0.962 10.046 -14.633 665 HD11 LEU 84 HD11 LEU 84 -0.335 7.968 -14.943 666 HD12 LEU 84 HD12 LEU 84 1.041 8.028 -16.047 667 HD13 LEU 84 HD13 LEU 84 1.121 7.000 -14.593 668 HD21 LEU 84 HD21 LEU 84 1.343 9.848 -12.175 669 HD22 LEU 84 HD22 LEU 84 -0.208 9.141 -12.690 670 HD23 LEU 84 HD23 LEU 84 1.177 8.087 -12.314 671 H GLU 85 H GLU 85 3.626 11.758 -15.626 672 HA GLU 85 HA GLU 85 0.969 12.149 -16.790 673 HB2 GLU 85 HB2 GLU 85 3.140 13.928 -15.674 674 HB3 GLU 85 HB3 GLU 85 1.635 14.564 -16.371 675 HG2 GLU 85 HG2 GLU 85 1.753 12.484 -14.144 676 HG3 GLU 85 HG3 GLU 85 1.594 14.228 -13.895 677 H LEU 86 H LEU 86 4.388 12.786 -17.640 678 HA LEU 86 HA LEU 86 3.759 14.354 -19.951 679 HB2 LEU 86 HB2 LEU 86 6.057 14.478 -20.254 680 HB3 LEU 86 HB3 LEU 86 5.859 14.231 -18.507 681 HG LEU 86 HG LEU 86 6.250 11.693 -19.094 682 HD11 LEU 86 HD11 LEU 86 6.250 12.027 -21.598 683 HD12 LEU 86 HD12 LEU 86 7.595 13.165 -21.418 684 HD13 LEU 86 HD13 LEU 86 7.816 11.447 -21.011 685 HD21 LEU 86 HD21 LEU 86 7.701 13.146 -17.718 686 HD22 LEU 86 HD22 LEU 86 8.668 12.076 -18.754 687 HD23 LEU 86 HD23 LEU 86 8.458 13.787 -19.189 688 H ALA 87 H ALA 87 4.331 10.876 -19.435 689 HA ALA 87 HA ALA 87 4.577 10.053 -22.066 690 HB1 ALA 87 HB1 ALA 87 3.390 8.731 -19.580 691 HB2 ALA 87 HB2 ALA 87 3.864 7.848 -21.038 692 HB3 ALA 87 HB3 ALA 87 5.095 8.712 -20.081 693 H GLN 88 H GLN 88 1.606 9.930 -19.970 694 HA GLN 88 HA GLN 88 -0.225 9.216 -22.007 695 HB2 GLN 88 HB2 GLN 88 -1.938 10.073 -20.467 696 HB3 GLN 88 HB3 GLN 88 -0.808 8.847 -19.817 697 HG2 GLN 88 HG2 GLN 88 0.492 10.591 -18.728 698 HG3 GLN 88 HG3 GLN 88 -0.535 11.839 -19.442 699 HE21 GLN 88 HE22 GLN 88 -0.018 9.737 -16.792 700 HE22 GLN 88 HE21 GLN 88 -1.534 9.962 -15.949 701 H GLY 89 H GLY 89 1.277 12.263 -21.308 702 HA2 GLY 89 HA2 GLY 89 -0.741 13.811 -22.829 703 HA3 GLY 89 HA3 GLY 89 0.629 14.448 -21.887 704 H ALA 90 H ALA 90 1.499 11.730 -23.728 705 HA ALA 90 HA ALA 90 2.442 13.333 -26.061 706 HB1 ALA 90 HB1 ALA 90 3.997 11.356 -24.384 707 HB2 ALA 90 HB2 ALA 90 4.617 12.198 -25.816 708 HB3 ALA 90 HB3 ALA 90 4.243 13.137 -24.337 709 H VAL 91 H VAL 91 1.214 10.318 -24.708 710 HA VAL 91 HA VAL 91 2.384 8.379 -26.332 711 HB VAL 91 HB VAL 91 -0.470 8.408 -25.798 712 HG11 VAL 91 HG11 VAL 91 0.550 6.493 -27.007 713 HG12 VAL 91 HG12 VAL 91 1.650 6.214 -25.616 714 HG13 VAL 91 HG13 VAL 91 -0.100 5.960 -25.438 715 HG21 VAL 91 HG21 VAL 91 -0.278 7.528 -23.603 716 HG22 VAL 91 HG22 VAL 91 1.481 7.830 -23.615 717 HG23 VAL 91 HG23 VAL 91 0.302 9.193 -23.796 718 H GLY 92 H GLY 92 -0.610 10.104 -26.972 719 HA2 GLY 92 HA2 GLY 92 -0.711 9.103 -29.765 720 HA3 GLY 92 HA3 GLY 92 -2.031 9.852 -28.841 721 H SER 93 H SER 93 0.696 11.723 -28.298 722 HA SER 93 HA SER 93 -0.260 13.844 -30.041 723 HB2 SER 93 HB2 SER 93 2.194 13.679 -28.236 724 HB3 SER 93 HB3 SER 93 1.504 15.166 -28.932 725 HG SER 93 HG SER 93 0.791 14.817 -26.783 726 H VAL 94 H VAL 94 0.940 11.337 -31.179 727 HA VAL 94 HA VAL 94 2.760 12.711 -33.100 728 HB VAL 94 HB VAL 94 3.261 9.946 -31.930 729 HG11 VAL 94 HG11 VAL 94 4.760 11.655 -33.967 730 HG12 VAL 94 HG12 VAL 94 5.310 10.083 -33.333 731 HG13 VAL 94 HG13 VAL 94 3.835 10.184 -34.326 732 HG21 VAL 94 HG21 VAL 94 5.340 10.994 -31.047 733 HG22 VAL 94 HG22 VAL 94 4.779 12.577 -31.634 734 HG23 VAL 94 HG23 VAL 94 3.880 11.737 -30.350 735 H GLN 95 H GLN 95 1.417 12.839 -34.738 736 HA GLN 95 HA GLN 95 -0.306 10.646 -35.558 737 HB2 GLN 95 HB2 GLN 95 0.384 13.357 -36.787 738 HB3 GLN 95 HB3 GLN 95 -0.895 12.265 -37.329 739 HG2 GLN 95 HG2 GLN 95 -0.704 13.634 -34.606 740 HG3 GLN 95 HG3 GLN 95 -1.839 14.035 -35.897 741 HE21 GLN 95 HE22 GLN 95 -1.315 12.132 -33.089 742 HE22 GLN 95 HE21 GLN 95 -2.719 11.104 -33.237 743 H ILE 96 H ILE 96 2.964 10.941 -35.809 744 HA ILE 96 HA ILE 96 3.010 9.468 -38.356 745 HB ILE 96 HB ILE 96 3.265 11.821 -38.938 746 HG12 ILE 96 HG12 ILE 96 5.257 11.734 -40.282 747 HG13 ILE 96 HG13 ILE 96 5.930 10.411 -39.326 748 HG21 ILE 96 HG21 ILE 96 4.236 12.652 -36.843 749 HG22 ILE 96 HG22 ILE 96 5.779 11.850 -37.231 750 HG23 ILE 96 HG23 ILE 96 5.173 13.153 -38.262 751 HD11 ILE 96 HD11 ILE 96 4.100 8.925 -40.036 752 HD12 ILE 96 HD12 ILE 96 3.332 10.266 -40.922 753 HD13 ILE 96 HD13 ILE 96 4.900 9.625 -41.457 754 HA PRO 97 HA PRO 97 5.897 7.947 -34.961 755 HB2 PRO 97 HB2 PRO 97 4.619 5.668 -34.204 756 HB3 PRO 97 HB3 PRO 97 4.161 7.278 -33.555 757 HG2 PRO 97 HG2 PRO 97 2.877 5.773 -35.855 758 HG3 PRO 97 HG3 PRO 97 2.072 6.517 -34.426 759 HD2 PRO 97 HD2 PRO 97 2.258 7.819 -36.818 760 HD3 PRO 97 HD3 PRO 97 2.407 8.689 -35.254 761 H VAL 98 H VAL 98 6.787 5.537 -34.903 762 HA VAL 98 HA VAL 98 7.693 4.924 -37.583 763 HB VAL 98 HB VAL 98 8.165 3.404 -35.012 764 HG11 VAL 98 HG11 VAL 98 8.814 2.184 -37.092 765 HG12 VAL 98 HG12 VAL 98 9.757 3.602 -37.614 766 HG13 VAL 98 HG13 VAL 98 10.243 2.685 -36.172 767 HG21 VAL 98 HG21 VAL 98 9.736 5.697 -36.259 768 HG22 VAL 98 HG22 VAL 98 8.843 5.749 -34.715 769 HG23 VAL 98 HG23 VAL 98 10.278 4.719 -34.883 770 H VAL 99 H VAL 99 5.394 4.599 -38.320 771 HA VAL 99 HA VAL 99 4.027 2.157 -37.642 772 HB VAL 99 HB VAL 99 3.758 3.920 -40.119 773 HG11 VAL 99 HG11 VAL 99 1.509 2.854 -40.239 774 HG12 VAL 99 HG12 VAL 99 2.795 1.647 -40.395 775 HG13 VAL 99 HG13 VAL 99 1.928 1.823 -38.854 776 HG21 VAL 99 HG21 VAL 99 3.322 5.198 -38.057 777 HG22 VAL 99 HG22 VAL 99 1.807 4.862 -38.910 778 HG23 VAL 99 HG23 VAL 99 2.239 3.907 -37.480 779 H GLU 100 H GLU 100 5.641 0.566 -37.753 780 HA GLU 100 HA GLU 100 7.081 -0.086 -40.161 781 HB2 GLU 100 HB2 GLU 100 7.848 -1.937 -38.971 782 HB3 GLU 100 HB3 GLU 100 7.524 -0.777 -37.676 783 HG2 GLU 100 HG2 GLU 100 5.171 -1.873 -37.551 784 HG3 GLU 100 HG3 GLU 100 5.956 -3.159 -38.490 785 H VAL 101 H VAL 101 6.786 -2.530 -40.897 786 HA VAL 101 HA VAL 101 3.900 -3.035 -41.453 787 HB VAL 101 HB VAL 101 6.202 -3.254 -43.413 788 HG11 VAL 101 HG11 VAL 101 4.408 -3.775 -45.057 789 HG12 VAL 101 HG12 VAL 101 4.504 -5.006 -43.790 790 HG13 VAL 101 HG13 VAL 101 3.214 -3.774 -43.737 791 HG21 VAL 101 HG21 VAL 101 3.808 -1.372 -43.281 792 HG22 VAL 101 HG22 VAL 101 5.511 -0.918 -43.028 793 HG23 VAL 101 HG23 VAL 101 4.970 -1.461 -44.629 794 H ASP 102 H ASP 102 3.282 -5.168 -41.321 795 HA ASP 102 HA ASP 102 5.318 -7.223 -40.863 796 HB2 ASP 102 HB2 ASP 102 4.918 -5.992 -38.670 797 HB3 ASP 102 HB3 ASP 102 3.236 -6.521 -38.750 798 H GLU 103 H GLU 103 3.267 -6.638 -42.827 799 HA GLU 103 HA GLU 103 0.919 -8.202 -42.497 800 HB2 GLU 103 HB2 GLU 103 1.003 -6.511 -44.151 801 HB3 GLU 103 HB3 GLU 103 2.437 -7.227 -44.935 802 HG2 GLU 103 HG2 GLU 103 1.094 -9.057 -45.767 803 HG3 GLU 103 HG3 GLU 103 -0.301 -8.504 -44.805 804 H LEU 104 H LEU 104 0.317 -10.034 -43.750 805 HA LEU 104 HA LEU 104 1.569 -12.444 -43.344 806 HB2 LEU 104 HB2 LEU 104 -0.301 -11.290 -45.391 807 HB3 LEU 104 HB3 LEU 104 0.078 -13.046 -45.406 808 HG LEU 104 HG LEU 104 -0.796 -11.995 -42.782 809 HD11 LEU 104 HD11 LEU 104 -2.437 -10.924 -44.342 810 HD12 LEU 104 HD12 LEU 104 -2.669 -12.492 -45.155 811 HD13 LEU 104 HD13 LEU 104 -3.174 -12.283 -43.463 812 HD21 LEU 104 HD21 LEU 104 -1.245 -14.333 -44.664 813 HD22 LEU 104 HD22 LEU 104 -0.067 -14.332 -43.354 814 HD23 LEU 104 HD23 LEU 104 -1.822 -14.322 -42.965 815 HA PRO 105 HA PRO 105 4.586 -13.484 -46.423 816 HB2 PRO 105 HB2 PRO 105 2.482 -15.482 -47.295 817 HB3 PRO 105 HB3 PRO 105 4.236 -15.766 -47.056 818 HG2 PRO 105 HG2 PRO 105 2.587 -16.526 -45.112 819 HG3 PRO 105 HG3 PRO 105 4.002 -15.507 -44.656 820 HD2 PRO 105 HD2 PRO 105 1.162 -14.614 -45.228 821 HD3 PRO 105 HD3 PRO 105 2.133 -14.207 -43.793 822 H GLU 106 H GLU 106 4.977 -13.607 -48.771 823 HA GLU 106 HA GLU 106 3.500 -11.525 -50.116 824 HB2 GLU 106 HB2 GLU 106 6.033 -12.014 -50.106 825 HB3 GLU 106 HB3 GLU 106 5.689 -13.288 -51.283 826 HG2 GLU 106 HG2 GLU 106 4.738 -11.576 -52.828 827 HG3 GLU 106 HG3 GLU 106 4.974 -10.334 -51.592 828 H GLY 107 H GLY 107 2.271 -14.356 -49.614 829 HA2 GLY 107 HA2 GLY 107 0.770 -14.520 -52.038 830 HA3 GLY 107 HA3 GLY 107 2.054 -15.736 -52.068 831 H TYR 108 H TYR 108 0.264 -14.666 -49.065 832 HA TYR 108 HA TYR 108 -0.245 -17.205 -48.148 833 HB2 TYR 108 HB2 TYR 108 -0.311 -14.794 -47.192 834 HB3 TYR 108 HB3 TYR 108 -1.973 -14.746 -47.760 835 HD1 TYR 108 HD2 TYR 108 0.458 -16.412 -45.584 836 HD2 TYR 108 HD1 TYR 108 -3.707 -15.972 -46.513 837 HE1 TYR 108 HE2 TYR 108 -0.092 -17.163 -43.329 838 HE2 TYR 108 HE1 TYR 108 -4.311 -16.977 -44.316 839 HH TYR 108 HH TYR 108 -3.522 -17.738 -42.294 840 H ASP 109 H ASP 109 -2.450 -18.038 -47.649 841 HA ASP 109 HA ASP 109 -4.587 -17.386 -49.526 842 HB2 ASP 109 HB2 ASP 109 -3.279 -19.123 -50.722 843 HB3 ASP 109 HB3 ASP 109 -3.420 -20.199 -49.322 844 H ARG 110 H ARG 110 -6.651 -18.047 -48.736 845 HA ARG 110 HA ARG 110 -6.750 -19.232 -46.038 846 HB2 ARG 110 HB2 ARG 110 -6.345 -16.712 -45.915 847 HB3 ARG 110 HB3 ARG 110 -7.961 -16.498 -46.592 848 HG2 ARG 110 HG2 ARG 110 -7.267 -17.976 -44.009 849 HG3 ARG 110 HG3 ARG 110 -7.905 -16.334 -44.111 850 HD2 ARG 110 HD2 ARG 110 -9.957 -17.224 -45.224 851 HD3 ARG 110 HD3 ARG 110 -9.349 -18.877 -44.948 852 HE ARG 110 HE ARG 110 -9.295 -17.559 -42.468 853 HH11 ARG 110 HH11 ARG 110 -11.696 -18.569 -44.861 854 HH12 ARG 110 HH12 ARG 110 -12.969 -18.753 -43.677 855 HH21 ARG 110 HH21 ARG 110 -10.963 -17.830 -40.945 856 HH22 ARG 110 HH22 ARG 110 -12.548 -18.355 -41.456 857 H SER 111 H SER 111 -7.889 -20.946 -46.949 858 HA SER 111 HA SER 111 -10.732 -20.380 -47.517 859 HB2 SER 111 HB2 SER 111 -10.716 -21.816 -49.509 860 HB3 SER 111 HB3 SER 111 -9.662 -20.413 -49.738 861 HG SER 111 HG SER 111 -8.643 -22.333 -50.398 862 H1 ALA 701 H1 ALA 701 20.522 19.359 -16.353 863 H2 ALA 701 H2 ALA 701 18.916 19.703 -16.487 864 H3 ALA 701 H3 ALA 701 19.576 18.469 -17.361 865 HA ALA 701 HA ALA 701 18.310 17.616 -15.540 866 HB1 ALA 701 HB1 ALA 701 21.312 17.240 -15.213 867 HB2 ALA 701 HB2 ALA 701 20.044 16.153 -14.590 868 HB3 ALA 701 HB3 ALA 701 20.260 16.350 -16.339 869 H ASP 702 H ASP 702 17.363 18.275 -13.721 870 HA ASP 702 HA ASP 702 18.994 19.346 -11.535 871 HB2 ASP 702 HB2 ASP 702 18.350 21.312 -12.973 872 HB3 ASP 702 HB3 ASP 702 16.653 20.910 -12.700 873 H THR 703 H THR 703 17.389 16.928 -12.155 874 HA THR 703 HA THR 703 15.650 16.868 -9.767 875 HB THR 703 HB THR 703 14.174 17.759 -11.491 876 HG1 THR 703 HG1 THR 703 12.634 16.201 -11.233 877 HG21 THR 703 HG21 THR 703 14.944 15.242 -13.037 878 HG22 THR 703 HG22 THR 703 13.691 16.416 -13.515 879 HG23 THR 703 HG23 THR 703 15.405 16.889 -13.469 880 H GLU 704 H GLU 704 14.868 14.672 -9.344 881 HA GLU 704 HA GLU 704 16.992 12.736 -9.982 882 HB2 GLU 704 HB2 GLU 704 15.959 11.392 -8.216 883 HB3 GLU 704 HB3 GLU 704 16.302 13.036 -7.656 884 HG2 GLU 704 HG2 GLU 704 13.924 13.649 -8.134 885 HG3 GLU 704 HG3 GLU 704 13.599 11.953 -8.532 886 H MET 705 H MET 705 13.747 13.470 -11.090 887 HA MET 705 HA MET 705 13.215 10.813 -12.086 888 HB2 MET 705 HB2 MET 705 11.619 11.978 -13.627 889 HB3 MET 705 HB3 MET 705 11.390 12.147 -11.890 890 HG2 MET 705 HG2 MET 705 12.928 14.330 -12.326 891 HG3 MET 705 HG3 MET 705 12.281 14.187 -13.951 892 HE1 MET 705 HE1 MET 705 11.189 13.682 -10.341 893 HE2 MET 705 HE2 MET 705 9.553 14.409 -10.233 894 HE3 MET 705 HE3 MET 705 9.817 12.919 -11.173 895 H GLU 706 H GLU 706 15.247 13.463 -13.033 896 HA GLU 706 HA GLU 706 15.679 12.509 -15.757 897 HB2 GLU 706 HB2 GLU 706 16.767 14.727 -14.006 898 HB3 GLU 706 HB3 GLU 706 17.583 14.330 -15.513 899 HG2 GLU 706 HG2 GLU 706 14.613 14.963 -15.349 900 HG3 GLU 706 HG3 GLU 706 15.866 16.145 -15.741 901 H GLU 707 H GLU 707 16.204 11.054 -13.033 902 HA GLU 707 HA GLU 707 18.672 9.684 -13.889 903 HB2 GLU 707 HB2 GLU 707 19.096 11.407 -12.012 904 HB3 GLU 707 HB3 GLU 707 18.058 10.398 -10.991 905 HG2 GLU 707 HG2 GLU 707 20.360 9.836 -10.558 906 HG3 GLU 707 HG3 GLU 707 19.641 8.472 -11.417 907 H VAL 708 H VAL 708 18.676 7.457 -12.448 908 HA VAL 708 HA VAL 708 16.030 6.485 -13.266 909 HB VAL 708 HB VAL 708 16.950 4.392 -13.485 910 HG11 VAL 708 HG11 VAL 708 19.122 6.395 -14.234 911 HG12 VAL 708 HG12 VAL 708 18.868 4.803 -14.964 912 HG13 VAL 708 HG13 VAL 708 17.635 6.078 -15.168 913 HG21 VAL 708 HG21 VAL 708 19.381 5.362 -11.929 914 HG22 VAL 708 HG22 VAL 708 18.249 4.057 -11.458 915 HG23 VAL 708 HG23 VAL 708 19.311 3.834 -12.845 916 H ASP 709 H ASP 709 18.102 6.044 -10.291 917 HA ASP 709 HA ASP 709 15.712 4.835 -9.052 918 HB2 ASP 709 HB2 ASP 709 17.230 3.968 -7.362 919 HB3 ASP 709 HB3 ASP 709 17.594 3.412 -8.979 Start of MODEL 3 1 H1 SER 2 H1 SER 2 24.401 -6.920 -2.138 2 H2 SER 2 H2 SER 2 23.130 -5.882 -2.282 3 H3 SER 2 H3 SER 2 24.668 -5.301 -2.219 4 HA SER 2 HA SER 2 23.844 -5.195 -4.447 5 HB2 SER 2 HB2 SER 2 26.042 -7.250 -4.028 6 HB3 SER 2 HB3 SER 2 25.708 -6.375 -5.535 7 HG SER 2 HG SER 2 27.342 -5.427 -4.143 8 H GLN 3 H GLN 3 21.653 -6.107 -4.410 9 HA GLN 3 HA GLN 3 21.570 -8.664 -5.892 10 HB2 GLN 3 HB2 GLN 3 19.981 -8.106 -3.350 11 HB3 GLN 3 HB3 GLN 3 19.689 -9.458 -4.459 12 HG2 GLN 3 HG2 GLN 3 22.010 -10.269 -4.050 13 HG3 GLN 3 HG3 GLN 3 22.235 -8.978 -2.856 14 HE21 GLN 3 HE22 GLN 3 22.466 -11.781 -2.282 15 HE22 GLN 3 HE21 GLN 3 21.184 -12.192 -1.157 16 H PHE 4 H PHE 4 20.826 -5.477 -5.895 17 HA PHE 4 HA PHE 4 18.577 -5.777 -7.741 18 HB2 PHE 4 HB2 PHE 4 17.360 -5.911 -5.638 19 HB3 PHE 4 HB3 PHE 4 18.308 -4.604 -4.943 20 HD1 PHE 4 HD2 PHE 4 17.956 -2.200 -5.782 21 HD2 PHE 4 HD1 PHE 4 15.393 -5.475 -6.924 22 HE1 PHE 4 HE2 PHE 4 16.160 -0.619 -6.318 23 HE2 PHE 4 HE1 PHE 4 13.616 -3.872 -7.514 24 HZ PHE 4 HZ PHE 4 14.038 -1.403 -7.294 25 H GLU 5 H GLU 5 20.536 -3.830 -5.561 26 HA GLU 5 HA GLU 5 20.492 -1.308 -6.612 27 HB2 GLU 5 HB2 GLU 5 22.789 -3.008 -5.587 28 HB3 GLU 5 HB3 GLU 5 22.833 -1.254 -5.681 29 HG2 GLU 5 HG2 GLU 5 20.958 -1.034 -4.136 30 HG3 GLU 5 HG3 GLU 5 20.753 -2.792 -4.066 31 H LYS 6 H LYS 6 22.397 -4.175 -7.879 32 HA LYS 6 HA LYS 6 24.039 -2.385 -9.460 33 HB2 LYS 6 HB2 LYS 6 23.778 -5.323 -8.969 34 HB3 LYS 6 HB3 LYS 6 24.509 -4.833 -10.496 35 HG2 LYS 6 HG2 LYS 6 26.224 -5.178 -8.755 36 HG3 LYS 6 HG3 LYS 6 26.217 -3.538 -9.418 37 HD2 LYS 6 HD2 LYS 6 24.983 -2.725 -7.423 38 HD3 LYS 6 HD3 LYS 6 24.987 -4.383 -6.757 39 HE2 LYS 6 HE2 LYS 6 27.453 -4.375 -6.783 40 HE3 LYS 6 HE3 LYS 6 27.454 -2.762 -7.511 41 HZ1 LYS 6 HZ1 LYS 6 27.803 -2.647 -5.152 42 HZ2 LYS 6 HZ2 LYS 6 26.363 -1.943 -5.524 43 HZ3 LYS 6 HZ3 LYS 6 26.403 -3.443 -4.847 44 H GLN 7 H GLN 7 21.312 -4.676 -9.985 45 HA GLN 7 HA GLN 7 20.993 -4.334 -12.749 46 HB2 GLN 7 HB2 GLN 7 19.029 -4.793 -10.477 47 HB3 GLN 7 HB3 GLN 7 18.689 -5.134 -12.191 48 HG2 GLN 7 HG2 GLN 7 21.086 -6.364 -10.740 49 HG3 GLN 7 HG3 GLN 7 19.477 -7.063 -10.641 50 HE21 GLN 7 HE22 GLN 7 18.867 -8.451 -12.227 51 HE22 GLN 7 HE21 GLN 7 19.626 -8.563 -13.804 52 H LYS 8 H LYS 8 20.719 -2.028 -10.200 53 HA LYS 8 HA LYS 8 18.689 -0.409 -11.622 54 HB2 LYS 8 HB2 LYS 8 18.367 -1.156 -9.275 55 HB3 LYS 8 HB3 LYS 8 19.787 -0.216 -8.797 56 HG2 LYS 8 HG2 LYS 8 18.694 1.863 -9.501 57 HG3 LYS 8 HG3 LYS 8 17.344 0.938 -10.216 58 HD2 LYS 8 HD2 LYS 8 16.757 1.795 -7.947 59 HD3 LYS 8 HD3 LYS 8 16.787 0.026 -8.022 60 HE2 LYS 8 HE2 LYS 8 18.870 -0.098 -6.880 61 HE3 LYS 8 HE3 LYS 8 19.285 1.559 -7.332 62 HZ1 LYS 8 HZ1 LYS 8 17.229 0.798 -5.345 63 HZ2 LYS 8 HZ2 LYS 8 18.712 1.410 -5.002 64 HZ3 LYS 8 HZ3 LYS 8 17.610 2.338 -5.778 65 H GLU 9 H GLU 9 22.117 -0.542 -10.891 66 HA GLU 9 HA GLU 9 22.214 2.075 -12.253 67 HB2 GLU 9 HB2 GLU 9 24.343 2.640 -11.183 68 HB3 GLU 9 HB3 GLU 9 22.955 2.590 -10.095 69 HG2 GLU 9 HG2 GLU 9 23.612 0.579 -9.137 70 HG3 GLU 9 HG3 GLU 9 24.774 0.210 -10.445 71 H GLN 10 H GLN 10 22.898 -1.205 -12.720 72 HA GLN 10 HA GLN 10 25.116 -0.770 -14.547 73 HB2 GLN 10 HB2 GLN 10 24.548 -2.964 -13.422 74 HB3 GLN 10 HB3 GLN 10 23.086 -3.054 -14.411 75 HG2 GLN 10 HG2 GLN 10 25.416 -2.489 -16.066 76 HG3 GLN 10 HG3 GLN 10 25.700 -3.919 -15.055 77 HE21 GLN 10 HE22 GLN 10 23.374 -2.455 -17.374 78 HE22 GLN 10 HE21 GLN 10 22.737 -3.984 -17.958 79 H GLY 11 H GLY 11 21.584 -1.476 -15.073 80 HA2 GLY 11 HA2 GLY 11 21.672 -0.866 -17.894 81 HA3 GLY 11 HA3 GLY 11 20.226 -0.955 -16.858 82 H ASN 12 H ASN 12 21.405 1.063 -14.993 83 HA ASN 12 HA ASN 12 20.452 3.548 -15.897 84 HB2 ASN 12 HB2 ASN 12 20.935 2.951 -13.609 85 HB3 ASN 12 HB3 ASN 12 22.593 2.524 -14.069 86 HD21 ASN 12 HD22 ASN 12 22.877 3.637 -12.028 87 HD22 ASN 12 HD21 ASN 12 23.316 5.308 -12.083 88 H SER 13 H SER 13 23.786 2.175 -15.991 89 HA SER 13 HA SER 13 24.851 4.453 -17.408 90 HB2 SER 13 HB2 SER 13 26.116 2.940 -15.825 91 HB3 SER 13 HB3 SER 13 26.031 1.663 -17.054 92 HG SER 13 HG SER 13 27.971 2.863 -17.177 93 H LEU 14 H LEU 14 22.832 1.988 -18.424 94 HA LEU 14 HA LEU 14 23.793 2.154 -21.257 95 HB2 LEU 14 HB2 LEU 14 21.946 0.300 -19.710 96 HB3 LEU 14 HB3 LEU 14 21.795 0.440 -21.446 97 HG LEU 14 HG LEU 14 24.297 -0.134 -21.609 98 HD11 LEU 14 HD11 LEU 14 23.534 -0.922 -18.811 99 HD12 LEU 14 HD12 LEU 14 25.042 -1.472 -19.624 100 HD13 LEU 14 HD13 LEU 14 24.798 0.266 -19.258 101 HD21 LEU 14 HD21 LEU 14 22.456 -1.733 -22.178 102 HD22 LEU 14 HD22 LEU 14 23.785 -2.559 -21.346 103 HD23 LEU 14 HD23 LEU 14 22.300 -2.154 -20.457 104 H PHE 15 H PHE 15 21.191 3.070 -19.022 105 HA PHE 15 HA PHE 15 19.289 3.917 -20.991 106 HB2 PHE 15 HB2 PHE 15 18.473 3.517 -18.820 107 HB3 PHE 15 HB3 PHE 15 19.805 4.382 -18.051 108 HD1 PHE 15 HD2 PHE 15 16.641 4.852 -19.965 109 HD2 PHE 15 HD1 PHE 15 19.692 6.701 -17.562 110 HE1 PHE 15 HE2 PHE 15 15.237 6.887 -19.739 111 HE2 PHE 15 HE1 PHE 15 18.248 8.676 -17.241 112 HZ PHE 15 HZ PHE 15 16.030 8.791 -18.345 113 H LYS 16 H LYS 16 22.229 5.340 -19.689 114 HA LYS 16 HA LYS 16 21.381 7.987 -20.654 115 HB2 LYS 16 HB2 LYS 16 23.079 8.858 -19.194 116 HB3 LYS 16 HB3 LYS 16 22.041 7.681 -18.332 117 HG2 LYS 16 HG2 LYS 16 23.935 5.966 -18.979 118 HG3 LYS 16 HG3 LYS 16 24.920 7.432 -19.149 119 HD2 LYS 16 HD2 LYS 16 23.468 6.393 -16.690 120 HD3 LYS 16 HD3 LYS 16 25.202 6.671 -16.914 121 HE2 LYS 16 HE2 LYS 16 24.660 9.148 -17.093 122 HE3 LYS 16 HE3 LYS 16 22.962 8.736 -16.732 123 HZ1 LYS 16 HZ1 LYS 16 25.253 8.213 -14.967 124 HZ2 LYS 16 HZ2 LYS 16 24.124 9.392 -14.762 125 HZ3 LYS 16 HZ3 LYS 16 23.686 7.810 -14.657 126 H GLN 17 H GLN 17 22.511 5.545 -22.257 127 HA GLN 17 HA GLN 17 24.725 6.988 -23.630 128 HB2 GLN 17 HB2 GLN 17 24.154 4.020 -23.220 129 HB3 GLN 17 HB3 GLN 17 25.397 4.660 -24.306 130 HG2 GLN 17 HG2 GLN 17 26.240 6.000 -22.282 131 HG3 GLN 17 HG3 GLN 17 25.248 4.918 -21.296 132 HE21 GLN 17 HE22 GLN 17 25.563 2.434 -22.484 133 HE22 GLN 17 HE21 GLN 17 27.249 1.962 -22.490 134 H GLY 18 H GLY 18 21.472 6.129 -23.908 135 HA2 GLY 18 HA2 GLY 18 20.536 6.850 -26.187 136 HA3 GLY 18 HA3 GLY 18 21.757 5.688 -26.844 137 H LEU 19 H LEU 19 21.610 3.738 -24.903 138 HA LEU 19 HA LEU 19 19.521 2.308 -26.374 139 HB2 LEU 19 HB2 LEU 19 20.728 0.376 -25.190 140 HB3 LEU 19 HB3 LEU 19 21.354 1.126 -26.641 141 HG LEU 19 HG LEU 19 22.411 2.344 -24.110 142 HD11 LEU 19 HD11 LEU 19 22.953 -0.570 -24.804 143 HD12 LEU 19 HD12 LEU 19 23.887 0.400 -23.631 144 HD13 LEU 19 HD13 LEU 19 22.174 0.041 -23.334 145 HD21 LEU 19 HD21 LEU 19 23.329 2.818 -26.363 146 HD22 LEU 19 HD22 LEU 19 24.540 2.082 -25.300 147 HD23 LEU 19 HD23 LEU 19 23.735 1.099 -26.549 148 H TYR 20 H TYR 20 17.985 3.529 -25.151 149 HA TYR 20 HA TYR 20 17.465 3.294 -22.412 150 HB2 TYR 20 HB2 TYR 20 15.459 3.386 -24.675 151 HB3 TYR 20 HB3 TYR 20 15.205 4.054 -23.089 152 HD1 TYR 20 HD1 TYR 20 17.695 5.455 -22.489 153 HD2 TYR 20 HD2 TYR 20 15.520 5.221 -26.191 154 HE1 TYR 20 HE1 TYR 20 18.714 7.612 -23.226 155 HE2 TYR 20 HE2 TYR 20 16.521 7.372 -26.923 156 HH TYR 20 HH TYR 20 18.839 9.189 -24.876 157 H ARG 21 H ARG 21 16.695 1.027 -25.100 158 HA ARG 21 HA ARG 21 14.828 -0.504 -23.467 159 HB2 ARG 21 HB2 ARG 21 15.427 -0.251 -26.188 160 HB3 ARG 21 HB3 ARG 21 16.184 -1.794 -25.787 161 HG2 ARG 21 HG2 ARG 21 13.296 -0.971 -25.652 162 HG3 ARG 21 HG3 ARG 21 14.041 -2.325 -26.522 163 HD2 ARG 21 HD2 ARG 21 14.465 -3.467 -24.326 164 HD3 ARG 21 HD3 ARG 21 13.640 -2.125 -23.499 165 HE ARG 21 HE ARG 21 12.419 -4.357 -24.780 166 HH11 ARG 21 HH11 ARG 21 11.948 -0.879 -24.278 167 HH12 ARG 21 HH12 ARG 21 10.229 -0.968 -24.595 168 HH21 ARG 21 HH21 ARG 21 10.179 -4.432 -25.085 169 HH22 ARG 21 HH22 ARG 21 9.230 -2.965 -24.993 170 H GLU 22 H GLU 22 18.215 -0.917 -24.574 171 HA GLU 22 HA GLU 22 18.602 -3.463 -23.347 172 HB2 GLU 22 HB2 GLU 22 20.625 -1.244 -23.815 173 HB3 GLU 22 HB3 GLU 22 20.998 -2.956 -23.514 174 HG2 GLU 22 HG2 GLU 22 19.729 -3.554 -25.574 175 HG3 GLU 22 HG3 GLU 22 19.476 -1.832 -25.903 176 H ALA 23 H ALA 23 18.513 -0.192 -22.091 177 HA ALA 23 HA ALA 23 19.716 -0.733 -19.545 178 HB1 ALA 23 HB1 ALA 23 18.732 1.450 -18.971 179 HB2 ALA 23 HB2 ALA 23 19.512 1.512 -20.584 180 HB3 ALA 23 HB3 ALA 23 17.754 1.430 -20.445 181 H VAL 24 H VAL 24 16.309 -0.834 -20.836 182 HA VAL 24 HA VAL 24 15.146 -1.101 -18.267 183 HB VAL 24 HB VAL 24 13.219 -1.136 -19.251 184 HG11 VAL 24 HG11 VAL 24 14.403 -0.068 -21.764 185 HG12 VAL 24 HG12 VAL 24 12.971 0.448 -20.879 186 HG13 VAL 24 HG13 VAL 24 14.578 0.785 -20.195 187 HG21 VAL 24 HG21 VAL 24 13.060 -3.165 -20.166 188 HG22 VAL 24 HG22 VAL 24 12.453 -1.978 -21.323 189 HG23 VAL 24 HG23 VAL 24 14.058 -2.734 -21.603 190 H HIS 25 H HIS 25 16.431 -3.003 -20.744 191 HA HIS 25 HA HIS 25 15.363 -5.526 -20.212 192 HB2 HIS 25 HB2 HIS 25 17.033 -4.325 -22.048 193 HB3 HIS 25 HB3 HIS 25 18.137 -5.418 -21.301 194 HD2 HIS 25 HD2 HIS 25 16.278 -5.181 -24.195 195 HE1 HIS 25 HE1 HIS 25 15.153 -9.141 -23.148 196 HE2 HIS 25 HE2 HIS 25 15.205 -7.441 -25.032 197 H CYS 26 H CYS 26 17.329 -3.704 -18.220 198 HA CYS 26 HA CYS 26 18.260 -6.110 -16.719 199 HB2 CYS 26 HB2 CYS 26 19.605 -3.379 -16.894 200 HB3 CYS 26 HB3 CYS 26 20.155 -4.763 -15.922 201 HG CYS 26 HG CYS 26 19.735 -4.593 -19.202 202 H TYR 27 H TYR 27 16.869 -2.876 -16.760 203 HA TYR 27 HA TYR 27 16.150 -2.462 -14.026 204 HB2 TYR 27 HB2 TYR 27 14.854 -1.958 -16.717 205 HB3 TYR 27 HB3 TYR 27 14.191 -1.262 -15.315 206 HD1 TYR 27 HD2 TYR 27 17.626 -0.988 -14.633 207 HD2 TYR 27 HD1 TYR 27 14.562 0.570 -17.230 208 HE1 TYR 27 HE2 TYR 27 18.872 1.138 -14.843 209 HE2 TYR 27 HE1 TYR 27 15.741 2.701 -17.395 210 HH TYR 27 HH TYR 27 17.618 3.894 -16.768 211 H ASP 28 H ASP 28 14.759 -4.528 -16.608 212 HA ASP 28 HA ASP 28 12.219 -4.872 -15.406 213 HB2 ASP 28 HB2 ASP 28 12.845 -5.339 -17.772 214 HB3 ASP 28 HB3 ASP 28 13.746 -6.766 -17.216 215 H GLN 29 H GLN 29 15.373 -6.361 -14.738 216 HA GLN 29 HA GLN 29 14.195 -8.503 -13.211 217 HB2 GLN 29 HB2 GLN 29 17.040 -7.437 -13.346 218 HB3 GLN 29 HB3 GLN 29 16.535 -8.861 -12.418 219 HG2 GLN 29 HG2 GLN 29 16.973 -10.024 -14.283 220 HG3 GLN 29 HG3 GLN 29 15.398 -9.469 -14.817 221 HE21 GLN 29 HE22 GLN 29 15.276 -8.280 -16.708 222 HE22 GLN 29 HE21 GLN 29 16.665 -7.612 -17.539 223 H LEU 30 H LEU 30 14.782 -5.121 -12.551 224 HA LEU 30 HA LEU 30 15.007 -5.285 -9.677 225 HB2 LEU 30 HB2 LEU 30 13.597 -3.205 -11.409 226 HB3 LEU 30 HB3 LEU 30 14.090 -2.982 -9.733 227 HG LEU 30 HG LEU 30 15.868 -3.283 -12.129 228 HD11 LEU 30 HD11 LEU 30 15.511 -1.074 -10.065 229 HD12 LEU 30 HD12 LEU 30 16.635 -1.046 -11.445 230 HD13 LEU 30 HD13 LEU 30 14.880 -1.056 -11.736 231 HD21 LEU 30 HD21 LEU 30 16.593 -3.137 -9.161 232 HD22 LEU 30 HD22 LEU 30 16.898 -4.513 -10.251 233 HD23 LEU 30 HD23 LEU 30 17.751 -2.973 -10.503 234 H ILE 31 H ILE 31 12.339 -5.277 -12.028 235 HA ILE 31 HA ILE 31 10.306 -5.295 -9.924 236 HB ILE 31 HB ILE 31 9.912 -5.810 -12.903 237 HG12 ILE 31 HG12 ILE 31 9.206 -3.156 -12.441 238 HG13 ILE 31 HG13 ILE 31 10.657 -3.315 -11.449 239 HG21 ILE 31 HG21 ILE 31 8.326 -4.633 -10.617 240 HG22 ILE 31 HG22 ILE 31 7.707 -4.867 -12.276 241 HG23 ILE 31 HG23 ILE 31 8.137 -6.301 -11.284 242 HD11 ILE 31 HD11 ILE 31 11.299 -2.593 -13.678 243 HD12 ILE 31 HD12 ILE 31 11.841 -4.274 -13.443 244 HD13 ILE 31 HD13 ILE 31 10.390 -3.933 -14.419 245 H THR 32 H THR 32 11.823 -7.697 -12.139 246 HA THR 32 HA THR 32 9.956 -9.723 -11.234 247 HB THR 32 HB THR 32 12.689 -9.736 -12.581 248 HG1 THR 32 HG1 THR 32 10.989 -8.986 -13.828 249 HG21 THR 32 HG21 THR 32 12.531 -11.887 -11.468 250 HG22 THR 32 HG22 THR 32 10.895 -12.150 -12.131 251 HG23 THR 32 HG23 THR 32 12.319 -12.091 -13.211 252 H ALA 33 H ALA 33 13.007 -8.437 -9.944 253 HA ALA 33 HA ALA 33 13.242 -10.695 -8.102 254 HB1 ALA 33 HB1 ALA 33 15.265 -9.502 -8.923 255 HB2 ALA 33 HB2 ALA 33 14.670 -7.997 -8.175 256 HB3 ALA 33 HB3 ALA 33 15.120 -9.374 -7.153 257 H GLN 34 H GLN 34 11.844 -7.457 -8.215 258 HA GLN 34 HA GLN 34 10.596 -7.894 -5.602 259 HB2 GLN 34 HB2 GLN 34 12.881 -6.444 -5.884 260 HB3 GLN 34 HB3 GLN 34 11.764 -5.189 -6.317 261 HG2 GLN 34 HG2 GLN 34 10.643 -5.449 -4.080 262 HG3 GLN 34 HG3 GLN 34 11.740 -6.809 -3.726 263 HE21 GLN 34 HE22 GLN 34 14.130 -6.051 -4.714 264 HE22 GLN 34 HE21 GLN 34 14.687 -4.484 -4.199 265 HA PRO 35 HA PRO 35 7.954 -6.458 -9.086 266 HB2 PRO 35 HB2 PRO 35 5.971 -8.367 -8.638 267 HB3 PRO 35 HB3 PRO 35 7.366 -8.489 -9.738 268 HG2 PRO 35 HG2 PRO 35 7.004 -9.942 -7.192 269 HG3 PRO 35 HG3 PRO 35 8.171 -10.223 -8.526 270 HD2 PRO 35 HD2 PRO 35 8.736 -8.995 -6.046 271 HD3 PRO 35 HD3 PRO 35 9.795 -9.278 -7.457 272 H GLN 36 H GLN 36 7.722 -6.843 -5.846 273 HA GLN 36 HA GLN 36 5.601 -4.770 -5.700 274 HB2 GLN 36 HB2 GLN 36 6.691 -6.372 -3.342 275 HB3 GLN 36 HB3 GLN 36 5.312 -5.270 -3.340 276 HG2 GLN 36 HG2 GLN 36 4.021 -7.082 -3.708 277 HG3 GLN 36 HG3 GLN 36 4.676 -7.095 -5.359 278 HE21 GLN 36 HE22 GLN 36 6.693 -8.314 -5.699 279 HE22 GLN 36 HE21 GLN 36 7.111 -9.686 -4.675 280 H ASN 37 H ASN 37 7.816 -3.802 -6.710 281 HA ASN 37 HA ASN 37 8.630 -1.895 -4.614 282 HB2 ASN 37 HB2 ASN 37 10.817 -2.556 -4.597 283 HB3 ASN 37 HB3 ASN 37 10.294 -3.970 -5.490 284 HD21 ASN 37 HD22 ASN 37 10.484 -4.005 -7.754 285 HD22 ASN 37 HD21 ASN 37 11.655 -2.971 -8.579 286 HA PRO 38 HA PRO 38 7.513 0.697 -8.034 287 HB2 PRO 38 HB2 PRO 38 8.840 2.887 -6.607 288 HB3 PRO 38 HB3 PRO 38 7.085 2.640 -6.878 289 HG2 PRO 38 HG2 PRO 38 8.408 2.503 -4.423 290 HG3 PRO 38 HG3 PRO 38 6.938 1.536 -4.780 291 HD2 PRO 38 HD2 PRO 38 9.851 0.692 -4.938 292 HD3 PRO 38 HD3 PRO 38 8.444 -0.171 -4.269 293 H VAL 39 H VAL 39 10.837 1.156 -6.635 294 HA VAL 39 HA VAL 39 11.604 2.984 -8.656 295 HB VAL 39 HB VAL 39 12.783 2.650 -6.508 296 HG11 VAL 39 HG11 VAL 39 13.273 0.323 -6.407 297 HG12 VAL 39 HG12 VAL 39 14.069 0.437 -8.054 298 HG13 VAL 39 HG13 VAL 39 14.793 1.278 -6.683 299 HG21 VAL 39 HG21 VAL 39 13.629 3.798 -8.649 300 HG22 VAL 39 HG22 VAL 39 14.954 3.087 -7.622 301 HG23 VAL 39 HG23 VAL 39 14.371 2.203 -9.038 302 H GLY 40 H GLY 40 11.416 -0.381 -8.455 303 HA2 GLY 40 HA2 GLY 40 12.759 -1.457 -10.794 304 HA3 GLY 40 HA3 GLY 40 11.324 -2.101 -10.115 305 H TYR 41 H TYR 41 9.419 -0.158 -10.477 306 HA TYR 41 HA TYR 41 8.927 -0.344 -13.326 307 HB2 TYR 41 HB2 TYR 41 7.542 0.992 -10.973 308 HB3 TYR 41 HB3 TYR 41 6.889 1.066 -12.578 309 HD1 TYR 41 HD1 TYR 41 6.286 -1.094 -13.788 310 HD2 TYR 41 HD2 TYR 41 7.157 -0.907 -9.592 311 HE1 TYR 41 HE1 TYR 41 5.139 -3.280 -13.463 312 HE2 TYR 41 HE2 TYR 41 6.022 -3.100 -9.249 313 HH TYR 41 HH TYR 41 4.520 -4.894 -11.963 314 H SER 42 H SER 42 10.217 2.056 -11.092 315 HA SER 42 HA SER 42 9.659 4.372 -12.694 316 HB2 SER 42 HB2 SER 42 10.123 4.568 -10.274 317 HB3 SER 42 HB3 SER 42 11.659 3.784 -10.485 318 HG SER 42 HG SER 42 12.242 5.854 -10.613 319 H ASN 43 H ASN 43 12.538 2.223 -12.413 320 HA ASN 43 HA ASN 43 14.237 3.732 -14.161 321 HB2 ASN 43 HB2 ASN 43 14.130 0.830 -13.306 322 HB3 ASN 43 HB3 ASN 43 15.344 1.479 -14.430 323 HD21 ASN 43 HD22 ASN 43 14.426 1.226 -11.099 324 HD22 ASN 43 HD21 ASN 43 15.813 2.096 -10.467 325 H LYS 44 H LYS 44 12.357 0.717 -14.746 326 HA LYS 44 HA LYS 44 12.611 0.452 -17.563 327 HB2 LYS 44 HB2 LYS 44 11.825 -1.226 -16.011 328 HB3 LYS 44 HB3 LYS 44 10.365 -0.279 -15.677 329 HG2 LYS 44 HG2 LYS 44 9.645 -0.518 -18.020 330 HG3 LYS 44 HG3 LYS 44 11.161 -1.362 -18.414 331 HD2 LYS 44 HD2 LYS 44 10.588 -3.135 -16.778 332 HD3 LYS 44 HD3 LYS 44 9.051 -2.307 -16.422 333 HE2 LYS 44 HE2 LYS 44 8.361 -2.570 -18.778 334 HE3 LYS 44 HE3 LYS 44 9.910 -3.358 -19.155 335 HZ1 LYS 44 HZ1 LYS 44 8.165 -4.953 -18.782 336 HZ2 LYS 44 HZ2 LYS 44 9.327 -5.103 -17.632 337 HZ3 LYS 44 HZ3 LYS 44 7.897 -4.376 -17.265 338 H ALA 45 H ALA 45 10.375 2.462 -15.585 339 HA ALA 45 HA ALA 45 8.655 3.104 -17.814 340 HB1 ALA 45 HB1 ALA 45 9.053 4.485 -15.127 341 HB2 ALA 45 HB2 ALA 45 7.721 4.796 -16.269 342 HB3 ALA 45 HB3 ALA 45 7.866 3.214 -15.489 343 H MET 46 H MET 46 11.353 4.909 -16.172 344 HA MET 46 HA MET 46 10.957 7.275 -17.671 345 HB2 MET 46 HB2 MET 46 12.318 7.081 -15.592 346 HB3 MET 46 HB3 MET 46 13.539 6.180 -16.503 347 HG2 MET 46 HG2 MET 46 14.287 8.408 -16.330 348 HG3 MET 46 HG3 MET 46 13.798 8.194 -18.004 349 HE1 MET 46 HE1 MET 46 12.211 9.627 -19.248 350 HE2 MET 46 HE2 MET 46 10.758 8.983 -18.446 351 HE3 MET 46 HE3 MET 46 11.009 10.730 -18.546 352 H ALA 47 H ALA 47 12.560 4.233 -18.463 353 HA ALA 47 HA ALA 47 13.939 5.287 -20.801 354 HB1 ALA 47 HB1 ALA 47 14.378 2.876 -21.203 355 HB2 ALA 47 HB2 ALA 47 14.795 3.360 -19.546 356 HB3 ALA 47 HB3 ALA 47 13.283 2.472 -19.856 357 H LEU 48 H LEU 48 10.772 3.711 -20.141 358 HA LEU 48 HA LEU 48 10.145 3.241 -22.910 359 HB2 LEU 48 HB2 LEU 48 8.433 3.631 -20.434 360 HB3 LEU 48 HB3 LEU 48 7.756 3.234 -22.028 361 HG LEU 48 HG LEU 48 9.833 1.539 -20.598 362 HD11 LEU 48 HD11 LEU 48 6.807 1.235 -20.794 363 HD12 LEU 48 HD12 LEU 48 7.920 0.029 -20.107 364 HD13 LEU 48 HD13 LEU 48 7.725 1.611 -19.320 365 HD21 LEU 48 HD21 LEU 48 8.001 0.836 -22.910 366 HD22 LEU 48 HD22 LEU 48 9.719 1.298 -23.092 367 HD23 LEU 48 HD23 LEU 48 9.273 -0.174 -22.206 368 H ILE 49 H ILE 49 10.078 6.147 -20.891 369 HA ILE 49 HA ILE 49 8.466 7.678 -22.778 370 HB ILE 49 HB ILE 49 10.333 8.265 -20.457 371 HG12 ILE 49 HG12 ILE 49 8.302 9.648 -19.762 372 HG13 ILE 49 HG13 ILE 49 7.426 8.901 -21.109 373 HG21 ILE 49 HG21 ILE 49 9.256 10.356 -22.374 374 HG22 ILE 49 HG22 ILE 49 10.036 10.687 -20.822 375 HG23 ILE 49 HG23 ILE 49 10.978 9.932 -22.116 376 HD11 ILE 49 HD11 ILE 49 8.690 7.466 -18.758 377 HD12 ILE 49 HD12 ILE 49 6.957 7.707 -19.056 378 HD13 ILE 49 HD13 ILE 49 7.902 6.659 -20.145 379 H LYS 50 H LYS 50 11.990 7.332 -22.140 380 HA LYS 50 HA LYS 50 12.874 8.899 -24.289 381 HB2 LYS 50 HB2 LYS 50 13.879 7.233 -22.185 382 HB3 LYS 50 HB3 LYS 50 14.629 6.712 -23.697 383 HG2 LYS 50 HG2 LYS 50 15.986 8.495 -22.759 384 HG3 LYS 50 HG3 LYS 50 15.154 9.130 -24.194 385 HD2 LYS 50 HD2 LYS 50 14.966 10.791 -22.500 386 HD3 LYS 50 HD3 LYS 50 13.363 10.052 -22.590 387 HE2 LYS 50 HE2 LYS 50 13.740 8.787 -20.588 388 HE3 LYS 50 HE3 LYS 50 15.489 9.052 -20.682 389 HZ1 LYS 50 HZ1 LYS 50 15.130 11.362 -20.222 390 HZ2 LYS 50 HZ2 LYS 50 13.500 11.165 -20.160 391 HZ3 LYS 50 HZ3 LYS 50 14.461 10.459 -19.023 392 H LEU 51 H LEU 51 11.259 5.809 -24.394 393 HA LEU 51 HA LEU 51 12.299 5.297 -27.123 394 HB2 LEU 51 HB2 LEU 51 10.751 3.668 -25.074 395 HB3 LEU 51 HB3 LEU 51 11.026 3.128 -26.735 396 HG LEU 51 HG LEU 51 13.287 3.827 -24.804 397 HD11 LEU 51 HD11 LEU 51 13.557 1.367 -24.598 398 HD12 LEU 51 HD12 LEU 51 11.984 1.909 -23.973 399 HD13 LEU 51 HD13 LEU 51 12.079 1.136 -25.573 400 HD21 LEU 51 HD21 LEU 51 13.915 3.960 -27.183 401 HD22 LEU 51 HD22 LEU 51 14.645 2.544 -26.409 402 HD23 LEU 51 HD23 LEU 51 13.231 2.336 -27.465 403 H GLY 52 H GLY 52 9.658 6.452 -25.212 404 HA2 GLY 52 HA2 GLY 52 7.836 7.642 -25.788 405 HA3 GLY 52 HA3 GLY 52 8.061 7.306 -27.494 406 H GLU 53 H GLU 53 8.200 4.560 -25.392 407 HA GLU 53 HA GLU 53 5.465 3.665 -26.055 408 HB2 GLU 53 HB2 GLU 53 7.495 2.262 -24.264 409 HB3 GLU 53 HB3 GLU 53 6.227 1.517 -25.261 410 HG2 GLU 53 HG2 GLU 53 7.619 2.486 -27.270 411 HG3 GLU 53 HG3 GLU 53 8.913 2.654 -26.089 412 H TYR 54 H TYR 54 5.783 5.963 -24.624 413 HA TYR 54 HA TYR 54 5.136 6.227 -22.048 414 HB2 TYR 54 HB2 TYR 54 3.494 6.795 -24.466 415 HB3 TYR 54 HB3 TYR 54 3.182 7.629 -23.039 416 HD1 TYR 54 HD1 TYR 54 6.348 8.176 -22.587 417 HD2 TYR 54 HD2 TYR 54 3.688 8.467 -25.929 418 HE1 TYR 54 HE1 TYR 54 7.928 9.754 -23.696 419 HE2 TYR 54 HE2 TYR 54 5.360 9.888 -27.149 420 HH TYR 54 HH TYR 54 8.399 10.953 -25.598 421 H THR 55 H THR 55 2.976 4.648 -24.533 422 HA THR 55 HA THR 55 0.626 4.435 -23.054 423 HB THR 55 HB THR 55 1.687 2.231 -24.841 424 HG1 THR 55 HG1 THR 55 0.824 3.464 -26.524 425 HG21 THR 55 HG21 THR 55 -0.450 1.869 -23.611 426 HG22 THR 55 HG22 THR 55 -1.083 3.384 -24.283 427 HG23 THR 55 HG23 THR 55 -0.729 2.015 -25.367 428 H GLN 56 H GLN 56 3.501 2.532 -23.004 429 HA GLN 56 HA GLN 56 2.558 0.573 -21.004 430 HB2 GLN 56 HB2 GLN 56 5.330 1.070 -22.167 431 HB3 GLN 56 HB3 GLN 56 4.788 -0.376 -21.297 432 HG2 GLN 56 HG2 GLN 56 3.803 0.645 -24.003 433 HG3 GLN 56 HG3 GLN 56 4.858 -0.739 -23.733 434 HE21 GLN 56 HE22 GLN 56 1.601 0.533 -23.502 435 HE22 GLN 56 HE21 GLN 56 0.785 -0.998 -23.217 436 H ALA 57 H ALA 57 4.829 3.321 -21.207 437 HA ALA 57 HA ALA 57 5.920 3.202 -18.633 438 HB1 ALA 57 HB1 ALA 57 6.480 5.527 -19.019 439 HB2 ALA 57 HB2 ALA 57 6.550 4.701 -20.609 440 HB3 ALA 57 HB3 ALA 57 5.157 5.708 -20.197 441 H ILE 58 H ILE 58 2.848 4.643 -19.720 442 HA ILE 58 HA ILE 58 2.155 6.050 -17.351 443 HB ILE 58 HB ILE 58 0.481 4.661 -19.475 444 HG12 ILE 58 HG12 ILE 58 0.941 7.642 -19.321 445 HG13 ILE 58 HG13 ILE 58 2.204 6.621 -20.001 446 HG21 ILE 58 HG21 ILE 58 -0.360 6.828 -17.511 447 HG22 ILE 58 HG22 ILE 58 -1.324 6.237 -18.874 448 HG23 ILE 58 HG23 ILE 58 -0.937 5.145 -17.524 449 HD11 ILE 58 HD11 ILE 58 0.778 7.290 -21.852 450 HD12 ILE 58 HD12 ILE 58 0.486 5.576 -21.527 451 HD13 ILE 58 HD13 ILE 58 -0.688 6.779 -20.984 452 H GLN 59 H GLN 59 1.796 2.607 -18.370 453 HA GLN 59 HA GLN 59 0.198 1.833 -16.121 454 HB2 GLN 59 HB2 GLN 59 1.984 0.191 -17.952 455 HB3 GLN 59 HB3 GLN 59 0.691 -0.392 -16.892 456 HG2 GLN 59 HG2 GLN 59 0.478 1.254 -19.424 457 HG3 GLN 59 HG3 GLN 59 -0.223 -0.335 -19.065 458 HE21 GLN 59 HE22 GLN 59 -1.048 2.759 -19.556 459 HE22 GLN 59 HE21 GLN 59 -2.411 2.919 -18.449 460 H MET 60 H MET 60 3.696 1.900 -16.870 461 HA MET 60 HA MET 60 4.565 0.387 -14.562 462 HB2 MET 60 HB2 MET 60 6.014 2.548 -16.129 463 HB3 MET 60 HB3 MET 60 6.759 1.378 -15.023 464 HG2 MET 60 HG2 MET 60 5.481 0.801 -17.704 465 HG3 MET 60 HG3 MET 60 7.186 0.760 -17.290 466 HE1 MET 60 HE1 MET 60 4.045 -1.028 -17.800 467 HE2 MET 60 HE2 MET 60 4.061 -2.484 -16.771 468 HE3 MET 60 HE3 MET 60 3.742 -0.891 -16.050 469 H CYS 61 H CYS 61 4.131 3.929 -15.124 470 HA CYS 61 HA CYS 61 5.443 4.713 -12.728 471 HB2 CYS 61 HB2 CYS 61 3.302 6.137 -14.339 472 HB3 CYS 61 HB3 CYS 61 4.295 6.851 -13.065 473 HG CYS 61 HG CYS 61 5.315 5.335 -15.818 474 H GLN 62 H GLN 62 1.922 4.481 -13.493 475 HA GLN 62 HA GLN 62 1.061 4.833 -10.808 476 HB2 GLN 62 HB2 GLN 62 -1.106 3.997 -11.575 477 HB3 GLN 62 HB3 GLN 62 -0.425 5.252 -12.634 478 HG2 GLN 62 HG2 GLN 62 -0.816 3.890 -14.357 479 HG3 GLN 62 HG3 GLN 62 0.495 2.857 -13.748 480 HE21 GLN 62 HE22 GLN 62 -0.131 1.161 -12.129 481 HE22 GLN 62 HE21 GLN 62 -1.712 0.426 -12.278 482 H GLN 63 H GLN 63 2.133 1.806 -12.411 483 HA GLN 63 HA GLN 63 1.250 0.045 -10.278 484 HB2 GLN 63 HB2 GLN 63 2.945 -0.037 -12.671 485 HB3 GLN 63 HB3 GLN 63 3.774 -0.784 -11.315 486 HG2 GLN 63 HG2 GLN 63 2.491 -2.381 -12.646 487 HG3 GLN 63 HG3 GLN 63 1.947 -2.343 -10.953 488 HE21 GLN 63 HE22 GLN 63 1.170 -1.373 -14.300 489 HE22 GLN 63 HE21 GLN 63 -0.551 -1.171 -14.021 490 H GLY 64 H GLY 64 4.287 1.969 -10.774 491 HA2 GLY 64 HA2 GLY 64 5.657 0.964 -8.577 492 HA3 GLY 64 HA3 GLY 64 5.788 2.628 -9.184 493 H LEU 65 H LEU 65 3.049 3.383 -8.683 494 HA LEU 65 HA LEU 65 3.260 4.399 -6.047 495 HB2 LEU 65 HB2 LEU 65 1.027 4.194 -8.093 496 HB3 LEU 65 HB3 LEU 65 0.727 4.877 -6.497 497 HG LEU 65 HG LEU 65 2.859 5.937 -8.390 498 HD11 LEU 65 HD11 LEU 65 -0.033 6.693 -7.821 499 HD12 LEU 65 HD12 LEU 65 1.130 7.853 -8.494 500 HD13 LEU 65 HD13 LEU 65 0.744 6.374 -9.396 501 HD21 LEU 65 HD21 LEU 65 1.717 6.822 -5.704 502 HD22 LEU 65 HD22 LEU 65 3.417 6.450 -6.102 503 HD23 LEU 65 HD23 LEU 65 2.650 7.899 -6.760 504 H ARG 66 H ARG 66 2.481 1.182 -6.890 505 HA ARG 66 HA ARG 66 0.316 0.762 -4.967 506 HB2 ARG 66 HB2 ARG 66 2.060 -0.980 -6.767 507 HB3 ARG 66 HB3 ARG 66 0.691 -1.607 -5.868 508 HG2 ARG 66 HG2 ARG 66 -0.811 0.019 -7.016 509 HG3 ARG 66 HG3 ARG 66 0.557 0.602 -7.971 510 HD2 ARG 66 HD2 ARG 66 -0.604 -1.010 -9.285 511 HD3 ARG 66 HD3 ARG 66 0.959 -1.711 -8.802 512 HE ARG 66 HE ARG 66 -0.654 -2.651 -6.845 513 HH11 ARG 66 HH11 ARG 66 -1.081 -2.626 -10.353 514 HH12 ARG 66 HH12 ARG 66 -2.058 -4.074 -10.365 515 HH21 ARG 66 HH21 ARG 66 -1.920 -4.541 -6.885 516 HH22 ARG 66 HH22 ARG 66 -2.525 -5.157 -8.406 517 H TYR 67 H TYR 67 3.693 0.861 -5.161 518 HA TYR 67 HA TYR 67 4.088 -0.909 -2.794 519 HB2 TYR 67 HB2 TYR 67 6.009 -0.196 -5.024 520 HB3 TYR 67 HB3 TYR 67 6.164 -1.506 -3.852 521 HD1 TYR 67 HD1 TYR 67 4.121 -3.256 -3.924 522 HD2 TYR 67 HD2 TYR 67 5.134 -0.528 -7.086 523 HE1 TYR 67 HE1 TYR 67 3.021 -4.757 -5.550 524 HE2 TYR 67 HE2 TYR 67 3.906 -1.936 -8.703 525 HH TYR 67 HH TYR 67 2.352 -5.039 -7.732 526 H THR 68 H THR 68 4.227 2.414 -3.563 527 HA THR 68 HA THR 68 6.764 3.021 -2.306 528 HB THR 68 HB THR 68 5.959 5.392 -2.559 529 HG1 THR 68 HG1 THR 68 3.728 4.993 -2.478 530 HG21 THR 68 HG21 THR 68 7.298 4.396 -4.294 531 HG22 THR 68 HG22 THR 68 5.906 3.513 -4.943 532 HG23 THR 68 HG23 THR 68 5.978 5.290 -5.076 533 H SER 69 H SER 69 4.797 1.536 -0.627 534 HA SER 69 HA SER 69 3.620 3.237 1.326 535 HB2 SER 69 HB2 SER 69 4.521 0.332 1.392 536 HB3 SER 69 HB3 SER 69 3.515 1.109 2.630 537 HG SER 69 HG SER 69 2.250 0.036 1.033 538 H THR 70 H THR 70 6.838 3.152 0.803 539 HA THR 70 HA THR 70 7.475 3.562 3.673 540 HB THR 70 HB THR 70 8.044 1.262 3.286 541 HG1 THR 70 HG1 THR 70 10.267 1.390 3.661 542 HG21 THR 70 HG21 THR 70 9.556 2.273 0.839 543 HG22 THR 70 HG22 THR 70 9.722 0.638 1.520 544 HG23 THR 70 HG23 THR 70 8.162 1.171 0.869 545 H ALA 71 H ALA 71 9.588 4.605 4.022 546 HA ALA 71 HA ALA 71 9.710 6.959 2.345 547 HB1 ALA 71 HB1 ALA 71 9.870 7.031 4.799 548 HB2 ALA 71 HB2 ALA 71 11.392 6.108 4.733 549 HB3 ALA 71 HB3 ALA 71 11.303 7.743 4.029 550 H GLU 72 H GLU 72 11.452 3.930 2.192 551 HA GLU 72 HA GLU 72 13.799 5.094 0.915 552 HB2 GLU 72 HB2 GLU 72 14.233 2.753 0.241 553 HB3 GLU 72 HB3 GLU 72 13.966 2.919 1.988 554 HG2 GLU 72 HG2 GLU 72 11.576 2.238 1.601 555 HG3 GLU 72 HG3 GLU 72 11.992 1.899 -0.080 556 H HIS 73 H HIS 73 10.574 4.811 0.052 557 HA HIS 73 HA HIS 73 11.194 4.571 -2.856 558 HB2 HIS 73 HB2 HIS 73 8.763 3.759 -1.229 559 HB3 HIS 73 HB3 HIS 73 8.797 3.811 -2.986 560 HD2 HIS 73 HD2 HIS 73 12.098 2.592 -2.458 561 HE1 HIS 73 HE1 HIS 73 9.819 -0.968 -2.010 562 HE2 HIS 73 HE2 HIS 73 12.154 -0.024 -2.411 563 H VAL 74 H VAL 74 10.488 6.845 -0.552 564 HA VAL 74 HA VAL 74 8.178 8.156 -1.558 565 HB VAL 74 HB VAL 74 9.152 8.452 0.687 566 HG11 VAL 74 HG11 VAL 74 11.267 10.195 -0.653 567 HG12 VAL 74 HG12 VAL 74 11.092 9.826 1.081 568 HG13 VAL 74 HG13 VAL 74 11.574 8.551 -0.060 569 HG21 VAL 74 HG21 VAL 74 7.636 10.146 -0.350 570 HG22 VAL 74 HG22 VAL 74 8.799 10.896 0.785 571 HG23 VAL 74 HG23 VAL 74 9.068 10.996 -0.978 572 H ALA 75 H ALA 75 11.587 8.352 -2.501 573 HA ALA 75 HA ALA 75 11.335 10.809 -3.987 574 HB1 ALA 75 HB1 ALA 75 13.421 10.120 -5.053 575 HB2 ALA 75 HB2 ALA 75 13.522 9.779 -3.308 576 HB3 ALA 75 HB3 ALA 75 13.212 8.459 -4.474 577 H ILE 76 H ILE 76 10.756 7.351 -4.674 578 HA ILE 76 HA ILE 76 10.452 7.916 -7.468 579 HB ILE 76 HB ILE 76 10.149 5.406 -5.782 580 HG12 ILE 76 HG12 ILE 76 11.988 5.201 -7.860 581 HG13 ILE 76 HG13 ILE 76 12.072 6.966 -7.380 582 HG21 ILE 76 HG21 ILE 76 9.712 5.830 -8.751 583 HG22 ILE 76 HG22 ILE 76 9.970 4.234 -7.989 584 HG23 ILE 76 HG23 ILE 76 8.518 5.181 -7.583 585 HD11 ILE 76 HD11 ILE 76 12.420 6.421 -5.188 586 HD12 ILE 76 HD12 ILE 76 12.358 4.636 -5.571 587 HD13 ILE 76 HD13 ILE 76 13.675 5.659 -6.250 588 H ARG 77 H ARG 77 8.471 7.620 -4.731 589 HA ARG 77 HA ARG 77 5.882 7.519 -5.957 590 HB2 ARG 77 HB2 ARG 77 6.186 7.237 -3.544 591 HB3 ARG 77 HB3 ARG 77 6.754 8.914 -3.380 592 HG2 ARG 77 HG2 ARG 77 4.203 8.651 -4.822 593 HG3 ARG 77 HG3 ARG 77 4.121 8.085 -3.130 594 HD2 ARG 77 HD2 ARG 77 5.149 10.221 -2.385 595 HD3 ARG 77 HD3 ARG 77 5.132 10.820 -4.044 596 HE ARG 77 HE ARG 77 2.866 10.572 -2.208 597 HH11 ARG 77 HH11 ARG 77 3.816 10.881 -5.613 598 HH12 ARG 77 HH12 ARG 77 2.278 11.577 -6.079 599 HH21 ARG 77 HH21 ARG 77 0.885 11.468 -2.867 600 HH22 ARG 77 HH22 ARG 77 0.630 11.885 -4.542 601 H SER 78 H SER 78 8.341 9.912 -5.876 602 HA SER 78 HA SER 78 6.560 11.978 -7.062 603 HB2 SER 78 HB2 SER 78 8.229 12.491 -5.179 604 HB3 SER 78 HB3 SER 78 9.513 12.053 -6.297 605 HG SER 78 HG SER 78 9.070 14.313 -6.288 606 H LYS 79 H LYS 79 9.003 9.534 -7.874 607 HA LYS 79 HA LYS 79 9.646 10.857 -10.413 608 HB2 LYS 79 HB2 LYS 79 10.357 8.132 -9.248 609 HB3 LYS 79 HB3 LYS 79 10.813 8.571 -10.859 610 HG2 LYS 79 HG2 LYS 79 11.848 10.685 -10.072 611 HG3 LYS 79 HG3 LYS 79 11.558 10.181 -8.392 612 HD2 LYS 79 HD2 LYS 79 12.981 8.191 -8.761 613 HD3 LYS 79 HD3 LYS 79 13.228 8.688 -10.462 614 HE2 LYS 79 HE2 LYS 79 14.094 10.851 -9.685 615 HE3 LYS 79 HE3 LYS 79 13.876 10.325 -7.996 616 HZ1 LYS 79 HZ1 LYS 79 15.398 8.486 -8.495 617 HZ2 LYS 79 HZ2 LYS 79 15.706 9.121 -9.967 618 HZ3 LYS 79 HZ3 LYS 79 16.135 9.963 -8.619 619 H LEU 80 H LEU 80 7.547 8.096 -9.452 620 HA LEU 80 HA LEU 80 6.951 7.248 -12.091 621 HB2 LEU 80 HB2 LEU 80 5.476 7.223 -9.432 622 HB3 LEU 80 HB3 LEU 80 4.715 6.589 -10.883 623 HG LEU 80 HG LEU 80 5.890 4.644 -10.739 624 HD11 LEU 80 HD11 LEU 80 8.415 6.148 -10.238 625 HD12 LEU 80 HD12 LEU 80 8.192 4.369 -10.403 626 HD13 LEU 80 HD13 LEU 80 7.792 5.428 -11.756 627 HD21 LEU 80 HD21 LEU 80 5.210 4.873 -8.454 628 HD22 LEU 80 HD22 LEU 80 6.848 4.161 -8.492 629 HD23 LEU 80 HD23 LEU 80 6.607 5.873 -8.060 630 H GLN 81 H GLN 81 5.601 9.851 -10.109 631 HA GLN 81 HA GLN 81 3.335 10.426 -11.756 632 HB2 GLN 81 HB2 GLN 81 4.836 11.564 -9.430 633 HB3 GLN 81 HB3 GLN 81 3.618 12.599 -10.190 634 HG2 GLN 81 HG2 GLN 81 2.856 11.109 -8.250 635 HG3 GLN 81 HG3 GLN 81 1.867 11.038 -9.726 636 HE21 GLN 81 HE22 GLN 81 4.441 9.297 -7.881 637 HE22 GLN 81 HE21 GLN 81 4.065 7.741 -8.585 638 H TYR 82 H TYR 82 6.686 11.320 -11.920 639 HA TYR 82 HA TYR 82 6.237 13.803 -13.344 640 HB2 TYR 82 HB2 TYR 82 8.212 13.643 -12.093 641 HB3 TYR 82 HB3 TYR 82 8.611 12.051 -12.739 642 HD1 TYR 82 HD1 TYR 82 9.087 11.858 -15.252 643 HD2 TYR 82 HD2 TYR 82 9.099 15.585 -13.146 644 HE1 TYR 82 HE1 TYR 82 10.739 12.764 -16.898 645 HE2 TYR 82 HE2 TYR 82 10.696 16.536 -14.811 646 HH TYR 82 HH TYR 82 11.959 14.603 -17.548 647 H ARG 83 H ARG 83 6.725 10.388 -14.347 648 HA ARG 83 HA ARG 83 6.833 11.334 -17.191 649 HB2 ARG 83 HB2 ARG 83 6.937 8.464 -16.381 650 HB3 ARG 83 HB3 ARG 83 7.509 9.266 -17.847 651 HG2 ARG 83 HG2 ARG 83 9.400 8.527 -16.689 652 HG3 ARG 83 HG3 ARG 83 9.366 10.275 -16.443 653 HD2 ARG 83 HD2 ARG 83 8.443 9.934 -14.176 654 HD3 ARG 83 HD3 ARG 83 8.273 8.199 -14.470 655 HE ARG 83 HE ARG 83 10.931 9.607 -14.586 656 HH11 ARG 83 HH11 ARG 83 8.885 7.078 -13.225 657 HH12 ARG 83 HH12 ARG 83 10.219 6.346 -12.334 658 HH21 ARG 83 HH21 ARG 83 12.626 8.613 -13.446 659 HH22 ARG 83 HH22 ARG 83 12.297 7.195 -12.470 660 H LEU 84 H LEU 84 4.848 9.951 -14.749 661 HA LEU 84 HA LEU 84 2.795 8.823 -16.401 662 HB2 LEU 84 HB2 LEU 84 3.103 8.323 -14.007 663 HB3 LEU 84 HB3 LEU 84 2.842 9.986 -13.587 664 HG LEU 84 HG LEU 84 0.492 9.866 -14.405 665 HD11 LEU 84 HD11 LEU 84 1.162 6.927 -14.914 666 HD12 LEU 84 HD12 LEU 84 -0.461 7.647 -14.990 667 HD13 LEU 84 HD13 LEU 84 0.785 8.138 -16.155 668 HD21 LEU 84 HD21 LEU 84 1.089 9.394 -12.071 669 HD22 LEU 84 HD22 LEU 84 -0.306 8.417 -12.589 670 HD23 LEU 84 HD23 LEU 84 1.312 7.677 -12.461 671 H GLU 85 H GLU 85 3.788 12.062 -15.623 672 HA GLU 85 HA GLU 85 1.199 13.205 -16.470 673 HB2 GLU 85 HB2 GLU 85 1.864 15.161 -15.483 674 HB3 GLU 85 HB3 GLU 85 2.777 13.979 -14.502 675 HG2 GLU 85 HG2 GLU 85 4.771 14.391 -15.836 676 HG3 GLU 85 HG3 GLU 85 3.871 15.503 -16.883 677 H LEU 86 H LEU 86 4.102 12.187 -17.962 678 HA LEU 86 HA LEU 86 3.773 14.259 -20.085 679 HB2 LEU 86 HB2 LEU 86 6.048 14.307 -20.381 680 HB3 LEU 86 HB3 LEU 86 5.929 13.993 -18.643 681 HG LEU 86 HG LEU 86 6.102 11.457 -19.406 682 HD11 LEU 86 HD11 LEU 86 7.535 12.928 -21.672 683 HD12 LEU 86 HD12 LEU 86 7.487 11.168 -21.421 684 HD13 LEU 86 HD13 LEU 86 6.026 12.039 -21.896 685 HD21 LEU 86 HD21 LEU 86 8.627 13.101 -19.585 686 HD22 LEU 86 HD22 LEU 86 7.734 12.916 -18.063 687 HD23 LEU 86 HD23 LEU 86 8.362 11.482 -18.868 688 H ALA 87 H ALA 87 4.316 10.728 -19.529 689 HA ALA 87 HA ALA 87 4.595 9.885 -22.124 690 HB1 ALA 87 HB1 ALA 87 3.353 8.611 -19.642 691 HB2 ALA 87 HB2 ALA 87 3.892 7.706 -21.069 692 HB3 ALA 87 HB3 ALA 87 5.071 8.607 -20.081 693 H GLN 88 H GLN 88 1.568 9.720 -20.090 694 HA GLN 88 HA GLN 88 -0.110 9.028 -22.257 695 HB2 GLN 88 HB2 GLN 88 -1.949 9.766 -20.871 696 HB3 GLN 88 HB3 GLN 88 -0.850 8.610 -20.065 697 HG2 GLN 88 HG2 GLN 88 0.202 10.419 -18.823 698 HG3 GLN 88 HG3 GLN 88 -0.907 11.604 -19.552 699 HE21 GLN 88 HE22 GLN 88 -0.410 9.831 -16.809 700 HE22 GLN 88 HE21 GLN 88 -2.055 9.554 -16.282 701 H GLY 89 H GLY 89 1.212 12.104 -21.350 702 HA2 GLY 89 HA2 GLY 89 -0.743 13.688 -22.840 703 HA3 GLY 89 HA3 GLY 89 0.747 14.248 -22.046 704 H ALA 90 H ALA 90 1.463 11.512 -23.813 705 HA ALA 90 HA ALA 90 1.968 12.896 -26.383 706 HB1 ALA 90 HB1 ALA 90 4.020 12.874 -25.040 707 HB2 ALA 90 HB2 ALA 90 3.877 11.113 -24.837 708 HB3 ALA 90 HB3 ALA 90 4.165 11.811 -26.455 709 H VAL 91 H VAL 91 0.258 10.569 -24.853 710 HA VAL 91 HA VAL 91 0.506 8.424 -26.945 711 HB VAL 91 HB VAL 91 -0.280 8.477 -24.059 712 HG11 VAL 91 HG11 VAL 91 -0.288 6.105 -25.985 713 HG12 VAL 91 HG12 VAL 91 -0.055 5.958 -24.250 714 HG13 VAL 91 HG13 VAL 91 -1.615 6.611 -24.876 715 HG21 VAL 91 HG21 VAL 91 2.065 8.559 -24.729 716 HG22 VAL 91 HG22 VAL 91 1.554 7.078 -23.842 717 HG23 VAL 91 HG23 VAL 91 1.822 7.030 -25.627 718 H GLY 92 H GLY 92 -1.590 10.255 -24.833 719 HA2 GLY 92 HA2 GLY 92 -4.010 9.382 -26.350 720 HA3 GLY 92 HA3 GLY 92 -3.945 9.519 -24.580 721 H SER 93 H SER 93 -2.103 12.034 -25.796 722 HA SER 93 HA SER 93 -4.026 14.079 -25.185 723 HB2 SER 93 HB2 SER 93 -2.236 15.577 -26.046 724 HB3 SER 93 HB3 SER 93 -1.644 14.409 -24.839 725 HG SER 93 HG SER 93 -0.267 14.499 -26.638 726 H VAL 94 H VAL 94 -4.222 15.979 -26.883 727 HA VAL 94 HA VAL 94 -5.650 14.898 -29.156 728 HB VAL 94 HB VAL 94 -4.820 17.739 -28.361 729 HG11 VAL 94 HG11 VAL 94 -6.687 16.814 -30.577 730 HG12 VAL 94 HG12 VAL 94 -6.487 18.503 -30.034 731 HG13 VAL 94 HG13 VAL 94 -5.125 17.637 -30.777 732 HG21 VAL 94 HG21 VAL 94 -6.426 16.653 -26.837 733 HG22 VAL 94 HG22 VAL 94 -7.213 17.964 -27.743 734 HG23 VAL 94 HG23 VAL 94 -7.490 16.266 -28.208 735 H GLN 95 H GLN 95 -2.590 15.868 -28.589 736 HA GLN 95 HA GLN 95 -0.953 16.654 -29.821 737 HB2 GLN 95 HB2 GLN 95 0.154 14.634 -31.021 738 HB3 GLN 95 HB3 GLN 95 -0.220 14.616 -29.292 739 HG2 GLN 95 HG2 GLN 95 -0.757 12.463 -30.244 740 HG3 GLN 95 HG3 GLN 95 -2.208 13.258 -29.648 741 HE21 GLN 95 HE22 GLN 95 -3.855 12.624 -30.889 742 HE22 GLN 95 HE21 GLN 95 -3.855 12.561 -32.645 743 H ILE 96 H ILE 96 -3.387 17.325 -31.407 744 HA ILE 96 HA ILE 96 -1.808 18.049 -33.789 745 HB ILE 96 HB ILE 96 -3.680 17.733 -35.283 746 HG12 ILE 96 HG12 ILE 96 -5.207 16.592 -32.910 747 HG13 ILE 96 HG13 ILE 96 -5.513 18.167 -33.660 748 HG21 ILE 96 HG21 ILE 96 -3.254 15.191 -33.679 749 HG22 ILE 96 HG22 ILE 96 -3.697 15.319 -35.397 750 HG23 ILE 96 HG23 ILE 96 -2.100 15.850 -34.854 751 HD11 ILE 96 HD11 ILE 96 -6.020 17.032 -35.815 752 HD12 ILE 96 HD12 ILE 96 -5.802 15.451 -35.007 753 HD13 ILE 96 HD13 ILE 96 -7.104 16.544 -34.502 754 HA PRO 97 HA PRO 97 -4.785 21.469 -32.240 755 HB2 PRO 97 HB2 PRO 97 -3.898 22.559 -29.930 756 HB3 PRO 97 HB3 PRO 97 -4.906 21.078 -29.933 757 HG2 PRO 97 HG2 PRO 97 -1.879 21.266 -29.782 758 HG3 PRO 97 HG3 PRO 97 -2.977 20.349 -28.695 759 HD2 PRO 97 HD2 PRO 97 -1.709 19.198 -30.816 760 HD3 PRO 97 HD3 PRO 97 -3.366 18.705 -30.326 761 H VAL 98 H VAL 98 -4.036 23.904 -31.692 762 HA VAL 98 HA VAL 98 -1.365 24.376 -32.881 763 HB VAL 98 HB VAL 98 -3.818 25.989 -33.648 764 HG11 VAL 98 HG11 VAL 98 -1.036 25.716 -34.882 765 HG12 VAL 98 HG12 VAL 98 -2.357 26.722 -35.515 766 HG13 VAL 98 HG13 VAL 98 -1.617 27.119 -33.956 767 HG21 VAL 98 HG21 VAL 98 -4.169 23.724 -34.495 768 HG22 VAL 98 HG22 VAL 98 -3.737 24.796 -35.835 769 HG23 VAL 98 HG23 VAL 98 -2.518 23.685 -35.164 770 H VAL 99 H VAL 99 -1.672 24.228 -30.323 771 HA VAL 99 HA VAL 99 -2.376 26.652 -29.011 772 HB VAL 99 HB VAL 99 -2.458 24.220 -28.218 773 HG11 VAL 99 HG11 VAL 99 0.523 24.613 -27.732 774 HG12 VAL 99 HG12 VAL 99 -0.457 23.215 -27.260 775 HG13 VAL 99 HG13 VAL 99 -0.193 23.573 -28.981 776 HG21 VAL 99 HG21 VAL 99 -1.987 24.715 -25.916 777 HG22 VAL 99 HG22 VAL 99 -1.000 26.130 -26.383 778 HG23 VAL 99 HG23 VAL 99 -2.756 26.113 -26.712 779 H GLU 100 H GLU 100 -0.421 26.879 -31.120 780 HA GLU 100 HA GLU 100 2.229 27.243 -30.280 781 HB2 GLU 100 HB2 GLU 100 1.486 27.051 -32.605 782 HB3 GLU 100 HB3 GLU 100 0.604 28.599 -32.479 783 HG2 GLU 100 HG2 GLU 100 2.575 29.859 -32.195 784 HG3 GLU 100 HG3 GLU 100 3.500 28.364 -31.941 785 H VAL 101 H VAL 101 3.370 28.888 -29.476 786 HA VAL 101 HA VAL 101 2.171 31.587 -29.225 787 HB VAL 101 HB VAL 101 3.695 30.191 -27.001 788 HG11 VAL 101 HG11 VAL 101 2.277 32.896 -27.123 789 HG12 VAL 101 HG12 VAL 101 3.107 32.216 -25.705 790 HG13 VAL 101 HG13 VAL 101 4.032 32.660 -27.150 791 HG21 VAL 101 HG21 VAL 101 1.569 30.276 -25.737 792 HG22 VAL 101 HG22 VAL 101 0.741 30.883 -27.193 793 HG23 VAL 101 HG23 VAL 101 1.450 29.247 -27.177 794 H ASP 102 H ASP 102 3.644 33.153 -29.744 795 HA ASP 102 HA ASP 102 6.501 32.589 -29.715 796 HB2 ASP 102 HB2 ASP 102 5.688 31.603 -31.860 797 HB3 ASP 102 HB3 ASP 102 5.006 33.156 -32.330 798 H GLU 103 H GLU 103 4.434 34.349 -28.555 799 HA GLU 103 HA GLU 103 5.848 36.912 -28.892 800 HB2 GLU 103 HB2 GLU 103 3.874 38.167 -29.336 801 HB3 GLU 103 HB3 GLU 103 4.000 36.872 -30.565 802 HG2 GLU 103 HG2 GLU 103 2.282 36.557 -28.084 803 HG3 GLU 103 HG3 GLU 103 1.696 37.402 -29.499 804 H LEU 104 H LEU 104 4.070 38.532 -27.513 805 HA LEU 104 HA LEU 104 4.580 38.143 -24.818 806 HB2 LEU 104 HB2 LEU 104 3.826 40.253 -24.829 807 HB3 LEU 104 HB3 LEU 104 4.328 40.111 -26.404 808 HG LEU 104 HG LEU 104 1.558 40.349 -25.378 809 HD11 LEU 104 HD11 LEU 104 2.907 42.223 -26.332 810 HD12 LEU 104 HD12 LEU 104 2.982 41.354 -27.879 811 HD13 LEU 104 HD13 LEU 104 1.415 41.935 -27.256 812 HD21 LEU 104 HD21 LEU 104 1.143 38.385 -26.517 813 HD22 LEU 104 HD22 LEU 104 0.549 39.709 -27.516 814 HD23 LEU 104 HD23 LEU 104 2.092 38.909 -27.961 815 HA PRO 105 HA PRO 105 1.118 36.118 -23.063 816 HB2 PRO 105 HB2 PRO 105 0.504 37.634 -20.928 817 HB3 PRO 105 HB3 PRO 105 2.217 37.109 -21.238 818 HG2 PRO 105 HG2 PRO 105 1.079 39.785 -21.893 819 HG3 PRO 105 HG3 PRO 105 2.588 39.372 -20.985 820 HD2 PRO 105 HD2 PRO 105 2.446 39.847 -23.703 821 HD3 PRO 105 HD3 PRO 105 3.729 38.846 -23.018 822 H GLU 106 H GLU 106 -1.220 36.271 -22.318 823 HA GLU 106 HA GLU 106 -2.725 37.290 -24.550 824 HB2 GLU 106 HB2 GLU 106 -4.587 36.058 -23.509 825 HB3 GLU 106 HB3 GLU 106 -3.117 35.074 -23.564 826 HG2 GLU 106 HG2 GLU 106 -2.659 35.605 -21.194 827 HG3 GLU 106 HG3 GLU 106 -4.106 36.621 -21.129 828 H GLY 107 H GLY 107 -1.623 39.268 -22.417 829 HA2 GLY 107 HA2 GLY 107 -3.970 40.997 -22.427 830 HA3 GLY 107 HA3 GLY 107 -3.549 40.398 -20.805 831 H TYR 108 H TYR 108 -1.087 40.967 -23.275 832 HA TYR 108 HA TYR 108 0.556 42.468 -21.542 833 HB2 TYR 108 HB2 TYR 108 1.150 41.075 -23.517 834 HB3 TYR 108 HB3 TYR 108 0.493 42.296 -24.588 835 HD1 TYR 108 HD1 TYR 108 1.542 44.607 -24.635 836 HD2 TYR 108 HD2 TYR 108 3.371 41.237 -22.675 837 HE1 TYR 108 HE1 TYR 108 3.768 45.705 -24.819 838 HE2 TYR 108 HE2 TYR 108 5.601 42.277 -22.957 839 HH TYR 108 HH TYR 108 6.020 45.518 -24.423 840 H ASP 109 H ASP 109 -1.781 43.424 -23.875 841 HA ASP 109 HA ASP 109 -1.821 45.552 -25.024 842 HB2 ASP 109 HB2 ASP 109 -3.888 44.780 -23.883 843 HB3 ASP 109 HB3 ASP 109 -3.400 45.638 -22.421 844 H ARG 110 H ARG 110 0.079 46.667 -25.116 845 HA ARG 110 HA ARG 110 1.421 47.874 -22.966 846 HB2 ARG 110 HB2 ARG 110 2.341 47.299 -25.217 847 HB3 ARG 110 HB3 ARG 110 1.452 48.664 -25.903 848 HG2 ARG 110 HG2 ARG 110 2.707 50.229 -24.461 849 HG3 ARG 110 HG3 ARG 110 3.550 48.853 -23.695 850 HD2 ARG 110 HD2 ARG 110 4.498 48.229 -25.896 851 HD3 ARG 110 HD3 ARG 110 3.654 49.596 -26.647 852 HE ARG 110 HE ARG 110 5.221 50.594 -24.499 853 HH11 ARG 110 HH11 ARG 110 5.656 49.114 -27.680 854 HH12 ARG 110 HH12 ARG 110 7.192 49.896 -27.962 855 HH21 ARG 110 HH21 ARG 110 7.215 51.605 -24.888 856 HH22 ARG 110 HH22 ARG 110 8.072 51.311 -26.382 857 H SER 111 H SER 111 -1.351 49.066 -24.819 858 HA SER 111 HA SER 111 -1.530 51.400 -23.062 859 HB2 SER 111 HB2 SER 111 0.066 52.161 -24.812 860 HB3 SER 111 HB3 SER 111 -1.136 51.766 -26.060 861 HG SER 111 HG SER 111 -1.233 53.969 -25.426 862 H1 ALA 701 H1 ALA 701 22.698 19.648 -12.948 863 H2 ALA 701 H2 ALA 701 22.522 21.028 -13.827 864 H3 ALA 701 H3 ALA 701 22.983 19.628 -14.568 865 HA ALA 701 HA ALA 701 20.702 20.101 -15.043 866 HB1 ALA 701 HB1 ALA 701 21.064 17.735 -13.162 867 HB2 ALA 701 HB2 ALA 701 19.759 17.934 -14.354 868 HB3 ALA 701 HB3 ALA 701 21.431 17.742 -14.900 869 H ASP 702 H ASP 702 18.486 19.303 -13.715 870 HA ASP 702 HA ASP 702 18.335 20.719 -11.142 871 HB2 ASP 702 HB2 ASP 702 17.910 22.391 -12.986 872 HB3 ASP 702 HB3 ASP 702 16.556 21.391 -13.525 873 H THR 703 H THR 703 18.202 17.932 -12.188 874 HA THR 703 HA THR 703 15.557 17.130 -11.078 875 HB THR 703 HB THR 703 15.410 15.493 -13.030 876 HG1 THR 703 HG1 THR 703 16.500 16.155 -14.910 877 HG21 THR 703 HG21 THR 703 14.428 17.019 -14.628 878 HG22 THR 703 HG22 THR 703 13.867 17.337 -12.970 879 HG23 THR 703 HG23 THR 703 15.078 18.421 -13.727 880 H GLU 704 H GLU 704 15.396 15.086 -10.453 881 HA GLU 704 HA GLU 704 17.595 13.171 -10.999 882 HB2 GLU 704 HB2 GLU 704 17.036 12.039 -8.885 883 HB3 GLU 704 HB3 GLU 704 17.580 13.701 -8.582 884 HG2 GLU 704 HG2 GLU 704 15.246 14.442 -8.373 885 HG3 GLU 704 HG3 GLU 704 14.674 12.803 -8.736 886 H MET 705 H MET 705 14.671 14.319 -11.786 887 HA MET 705 HA MET 705 12.917 12.062 -11.793 888 HB2 MET 705 HB2 MET 705 12.942 14.483 -13.667 889 HB3 MET 705 HB3 MET 705 11.527 13.567 -13.172 890 HG2 MET 705 HG2 MET 705 13.104 15.061 -11.077 891 HG3 MET 705 HG3 MET 705 12.153 15.985 -12.235 892 HE1 MET 705 HE1 MET 705 12.049 12.940 -10.053 893 HE2 MET 705 HE2 MET 705 10.326 12.738 -9.594 894 HE3 MET 705 HE3 MET 705 10.837 12.456 -11.279 895 H GLU 706 H GLU 706 15.058 13.678 -14.096 896 HA GLU 706 HA GLU 706 14.335 11.922 -16.321 897 HB2 GLU 706 HB2 GLU 706 14.471 14.315 -16.626 898 HB3 GLU 706 HB3 GLU 706 16.114 14.386 -16.011 899 HG2 GLU 706 HG2 GLU 706 16.894 13.067 -17.962 900 HG3 GLU 706 HG3 GLU 706 15.212 12.864 -18.496 901 H GLU 707 H GLU 707 16.513 11.897 -13.732 902 HA GLU 707 HA GLU 707 18.601 10.275 -14.998 903 HB2 GLU 707 HB2 GLU 707 17.875 10.795 -12.081 904 HB3 GLU 707 HB3 GLU 707 19.336 9.958 -12.637 905 HG2 GLU 707 HG2 GLU 707 18.594 12.846 -13.273 906 HG3 GLU 707 HG3 GLU 707 19.789 12.324 -12.086 907 H VAL 708 H VAL 708 18.435 8.370 -12.555 908 HA VAL 708 HA VAL 708 16.163 6.736 -13.572 909 HB VAL 708 HB VAL 708 17.367 4.834 -13.786 910 HG11 VAL 708 HG11 VAL 708 19.332 6.988 -14.600 911 HG12 VAL 708 HG12 VAL 708 19.216 5.335 -15.236 912 HG13 VAL 708 HG13 VAL 708 17.870 6.486 -15.501 913 HG21 VAL 708 HG21 VAL 708 18.605 4.729 -11.718 914 HG22 VAL 708 HG22 VAL 708 19.741 4.564 -13.058 915 HG23 VAL 708 HG23 VAL 708 19.624 6.126 -12.203 916 H ASP 709 H ASP 709 16.510 4.569 -11.780 917 HA ASP 709 HA ASP 709 15.207 4.042 -10.030 918 HB2 ASP 709 HB2 ASP 709 16.313 4.561 -7.792 919 HB3 ASP 709 HB3 ASP 709 17.115 3.549 -8.949 Start of MODEL 4 1 H1 SER 2 H1 SER 2 22.191 -13.655 -5.889 2 H2 SER 2 H2 SER 2 21.338 -14.600 -4.845 3 H3 SER 2 H3 SER 2 22.410 -13.498 -4.264 4 HA SER 2 HA SER 2 19.958 -12.872 -5.748 5 HB2 SER 2 HB2 SER 2 20.580 -12.536 -2.792 6 HB3 SER 2 HB3 SER 2 19.084 -12.037 -3.611 7 HG SER 2 HG SER 2 18.891 -14.093 -2.634 8 H GLN 3 H GLN 3 19.836 -10.857 -6.541 9 HA GLN 3 HA GLN 3 21.413 -8.672 -5.389 10 HB2 GLN 3 HB2 GLN 3 22.523 -8.122 -7.503 11 HB3 GLN 3 HB3 GLN 3 23.019 -9.723 -6.926 12 HG2 GLN 3 HG2 GLN 3 21.426 -10.791 -8.491 13 HG3 GLN 3 HG3 GLN 3 20.914 -9.203 -9.075 14 HE21 GLN 3 HE22 GLN 3 21.832 -11.024 -10.904 15 HE22 GLN 3 HE21 GLN 3 23.414 -10.550 -11.489 16 H PHE 4 H PHE 4 20.953 -6.583 -6.658 17 HA PHE 4 HA PHE 4 18.528 -6.485 -8.287 18 HB2 PHE 4 HB2 PHE 4 17.508 -6.677 -6.061 19 HB3 PHE 4 HB3 PHE 4 18.622 -5.484 -5.406 20 HD1 PHE 4 HD2 PHE 4 18.437 -3.017 -6.181 21 HD2 PHE 4 HD1 PHE 4 15.483 -6.019 -7.119 22 HE1 PHE 4 HE2 PHE 4 16.768 -1.259 -6.553 23 HE2 PHE 4 HE1 PHE 4 13.824 -4.236 -7.524 24 HZ PHE 4 HZ PHE 4 14.476 -1.838 -7.253 25 H GLU 5 H GLU 5 20.870 -4.972 -6.124 26 HA GLU 5 HA GLU 5 20.959 -2.373 -7.044 27 HB2 GLU 5 HB2 GLU 5 23.138 -4.281 -6.151 28 HB3 GLU 5 HB3 GLU 5 23.358 -2.546 -6.286 29 HG2 GLU 5 HG2 GLU 5 21.451 -2.155 -4.732 30 HG3 GLU 5 HG3 GLU 5 21.286 -3.899 -4.492 31 H LYS 6 H LYS 6 22.780 -5.293 -8.434 32 HA LYS 6 HA LYS 6 24.303 -3.460 -10.030 33 HB2 LYS 6 HB2 LYS 6 23.996 -6.427 -9.760 34 HB3 LYS 6 HB3 LYS 6 24.649 -5.822 -11.286 35 HG2 LYS 6 HG2 LYS 6 26.491 -6.269 -9.792 36 HG3 LYS 6 HG3 LYS 6 26.353 -4.509 -10.078 37 HD2 LYS 6 HD2 LYS 6 25.268 -4.202 -7.906 38 HD3 LYS 6 HD3 LYS 6 25.288 -5.967 -7.629 39 HE2 LYS 6 HE2 LYS 6 27.758 -5.944 -7.788 40 HE3 LYS 6 HE3 LYS 6 27.724 -4.186 -8.039 41 HZ1 LYS 6 HZ1 LYS 6 28.168 -4.752 -5.752 42 HZ2 LYS 6 HZ2 LYS 6 26.734 -3.960 -5.864 43 HZ3 LYS 6 HZ3 LYS 6 26.759 -5.585 -5.631 44 H GLN 7 H GLN 7 21.463 -5.539 -10.474 45 HA GLN 7 HA GLN 7 21.038 -5.212 -13.223 46 HB2 GLN 7 HB2 GLN 7 19.117 -5.578 -10.888 47 HB3 GLN 7 HB3 GLN 7 18.733 -5.954 -12.581 48 HG2 GLN 7 HG2 GLN 7 21.107 -7.229 -11.121 49 HG3 GLN 7 HG3 GLN 7 19.481 -7.878 -11.044 50 HE21 GLN 7 HE22 GLN 7 18.650 -9.005 -12.799 51 HE22 GLN 7 HE21 GLN 7 19.523 -9.244 -14.301 52 H LYS 8 H LYS 8 20.922 -2.858 -10.714 53 HA LYS 8 HA LYS 8 18.949 -1.119 -12.115 54 HB2 LYS 8 HB2 LYS 8 18.500 -1.808 -9.817 55 HB3 LYS 8 HB3 LYS 8 20.099 -1.276 -9.306 56 HG2 LYS 8 HG2 LYS 8 19.504 1.076 -9.834 57 HG3 LYS 8 HG3 LYS 8 17.920 0.518 -10.457 58 HD2 LYS 8 HD2 LYS 8 17.593 1.166 -8.123 59 HD3 LYS 8 HD3 LYS 8 17.489 -0.587 -8.281 60 HE2 LYS 8 HE2 LYS 8 18.834 -0.125 -6.333 61 HE3 LYS 8 HE3 LYS 8 19.883 -0.762 -7.587 62 HZ1 LYS 8 HZ1 LYS 8 19.546 2.115 -6.979 63 HZ2 LYS 8 HZ2 LYS 8 20.800 1.190 -6.462 64 HZ3 LYS 8 HZ3 LYS 8 20.603 1.488 -8.061 65 H GLU 9 H GLU 9 22.177 -1.339 -10.664 66 HA GLU 9 HA GLU 9 22.996 1.365 -11.304 67 HB2 GLU 9 HB2 GLU 9 24.481 -1.086 -10.312 68 HB3 GLU 9 HB3 GLU 9 25.154 0.563 -10.370 69 HG2 GLU 9 HG2 GLU 9 22.503 -0.038 -9.017 70 HG3 GLU 9 HG3 GLU 9 24.009 -0.289 -8.159 71 H GLN 10 H GLN 10 23.254 -1.827 -12.812 72 HA GLN 10 HA GLN 10 25.295 -1.043 -14.719 73 HB2 GLN 10 HB2 GLN 10 24.480 -3.482 -14.032 74 HB3 GLN 10 HB3 GLN 10 23.185 -3.177 -15.200 75 HG2 GLN 10 HG2 GLN 10 25.225 -2.466 -16.764 76 HG3 GLN 10 HG3 GLN 10 26.152 -3.465 -15.631 77 HE21 GLN 10 HE22 GLN 10 23.368 -3.403 -17.877 78 HE22 GLN 10 HE21 GLN 10 23.340 -5.122 -18.204 79 H GLY 11 H GLY 11 21.700 -1.301 -14.934 80 HA2 GLY 11 HA2 GLY 11 21.646 -0.271 -17.635 81 HA3 GLY 11 HA3 GLY 11 20.266 -0.460 -16.530 82 H ASN 12 H ASN 12 22.130 1.103 -14.540 83 HA ASN 12 HA ASN 12 20.822 3.595 -14.637 84 HB2 ASN 12 HB2 ASN 12 22.417 2.159 -12.941 85 HB3 ASN 12 HB3 ASN 12 23.527 3.450 -13.408 86 HD21 ASN 12 HD22 ASN 12 21.736 2.545 -10.976 87 HD22 ASN 12 HD21 ASN 12 21.139 4.054 -10.357 88 H SER 13 H SER 13 23.589 2.420 -16.451 89 HA SER 13 HA SER 13 24.097 5.242 -17.305 90 HB2 SER 13 HB2 SER 13 26.324 4.545 -17.925 91 HB3 SER 13 HB3 SER 13 26.006 4.143 -16.227 92 HG SER 13 HG SER 13 26.975 2.405 -17.359 93 H LEU 14 H LEU 14 23.413 1.879 -18.451 94 HA LEU 14 HA LEU 14 23.570 2.259 -21.220 95 HB2 LEU 14 HB2 LEU 14 21.606 0.729 -19.509 96 HB3 LEU 14 HB3 LEU 14 21.845 0.513 -21.239 97 HG LEU 14 HG LEU 14 23.507 -0.424 -18.971 98 HD11 LEU 14 HD11 LEU 14 23.243 -1.034 -21.906 99 HD12 LEU 14 HD12 LEU 14 23.990 -2.121 -20.689 100 HD13 LEU 14 HD13 LEU 14 22.235 -1.759 -20.606 101 HD21 LEU 14 HD21 LEU 14 25.611 -0.482 -20.264 102 HD22 LEU 14 HD22 LEU 14 24.905 0.563 -21.505 103 HD23 LEU 14 HD23 LEU 14 25.207 1.184 -19.852 104 H PHE 15 H PHE 15 21.064 3.307 -18.877 105 HA PHE 15 HA PHE 15 19.109 4.111 -20.823 106 HB2 PHE 15 HB2 PHE 15 18.350 3.694 -18.641 107 HB3 PHE 15 HB3 PHE 15 19.705 4.549 -17.902 108 HD1 PHE 15 HD1 PHE 15 16.664 5.239 -20.016 109 HD2 PHE 15 HD2 PHE 15 19.444 6.668 -17.062 110 HE1 PHE 15 HE1 PHE 15 15.261 7.251 -19.663 111 HE2 PHE 15 HE2 PHE 15 17.962 8.568 -16.570 112 HZ PHE 15 HZ PHE 15 15.898 8.919 -17.930 113 H LYS 16 H LYS 16 21.913 5.682 -19.271 114 HA LYS 16 HA LYS 16 21.054 8.296 -20.171 115 HB2 LYS 16 HB2 LYS 16 23.722 7.528 -18.952 116 HB3 LYS 16 HB3 LYS 16 22.897 9.113 -18.911 117 HG2 LYS 16 HG2 LYS 16 21.033 7.995 -17.614 118 HG3 LYS 16 HG3 LYS 16 22.028 6.527 -17.569 119 HD2 LYS 16 HD2 LYS 16 22.465 7.585 -15.548 120 HD3 LYS 16 HD3 LYS 16 23.882 7.972 -16.544 121 HE2 LYS 16 HE2 LYS 16 22.789 10.182 -17.107 122 HE3 LYS 16 HE3 LYS 16 21.453 9.742 -16.019 123 HZ1 LYS 16 HZ1 LYS 16 24.272 10.076 -15.222 124 HZ2 LYS 16 HZ2 LYS 16 23.059 11.140 -14.918 125 HZ3 LYS 16 HZ3 LYS 16 23.038 9.654 -14.219 126 H GLN 17 H GLN 17 22.627 5.716 -21.738 127 HA GLN 17 HA GLN 17 24.612 7.335 -23.199 128 HB2 GLN 17 HB2 GLN 17 23.912 4.385 -22.953 129 HB3 GLN 17 HB3 GLN 17 24.973 4.972 -24.232 130 HG2 GLN 17 HG2 GLN 17 26.383 6.122 -22.510 131 HG3 GLN 17 HG3 GLN 17 25.450 5.316 -21.249 132 HE21 GLN 17 HE22 GLN 17 25.227 2.869 -21.527 133 HE22 GLN 17 HE21 GLN 17 26.650 1.990 -22.057 134 H GLY 18 H GLY 18 21.385 5.972 -23.642 135 HA2 GLY 18 HA2 GLY 18 20.408 7.168 -25.772 136 HA3 GLY 18 HA3 GLY 18 21.688 6.148 -26.572 137 H LEU 19 H LEU 19 21.320 4.082 -24.509 138 HA LEU 19 HA LEU 19 19.400 2.671 -26.262 139 HB2 LEU 19 HB2 LEU 19 20.774 0.676 -25.367 140 HB3 LEU 19 HB3 LEU 19 21.249 1.635 -26.741 141 HG LEU 19 HG LEU 19 22.655 2.937 -24.729 142 HD11 LEU 19 HD11 LEU 19 22.528 -0.005 -23.959 143 HD12 LEU 19 HD12 LEU 19 23.492 1.257 -23.160 144 HD13 LEU 19 HD13 LEU 19 21.714 1.297 -23.064 145 HD21 LEU 19 HD21 LEU 19 23.647 2.026 -26.791 146 HD22 LEU 19 HD22 LEU 19 24.593 1.549 -25.360 147 HD23 LEU 19 HD23 LEU 19 23.507 0.376 -26.136 148 H TYR 20 H TYR 20 18.004 3.860 -24.843 149 HA TYR 20 HA TYR 20 17.413 3.434 -22.199 150 HB2 TYR 20 HB2 TYR 20 15.435 3.486 -24.492 151 HB3 TYR 20 HB3 TYR 20 15.139 4.118 -22.886 152 HD1 TYR 20 HD2 TYR 20 17.434 5.653 -22.178 153 HD2 TYR 20 HD1 TYR 20 15.580 5.265 -26.036 154 HE1 TYR 20 HE2 TYR 20 18.405 7.857 -22.875 155 HE2 TYR 20 HE1 TYR 20 16.531 7.452 -26.728 156 HH TYR 20 HH TYR 20 17.830 9.249 -26.110 157 H ARG 21 H ARG 21 16.644 1.261 -24.977 158 HA ARG 21 HA ARG 21 14.834 -0.397 -23.454 159 HB2 ARG 21 HB2 ARG 21 15.342 -0.014 -26.093 160 HB3 ARG 21 HB3 ARG 21 16.375 -1.420 -25.819 161 HG2 ARG 21 HG2 ARG 21 13.394 -1.125 -25.473 162 HG3 ARG 21 HG3 ARG 21 14.291 -2.228 -26.545 163 HD2 ARG 21 HD2 ARG 21 15.072 -3.498 -24.538 164 HD3 ARG 21 HD3 ARG 21 14.107 -2.404 -23.507 165 HE ARG 21 HE ARG 21 12.333 -3.391 -25.402 166 HH11 ARG 21 HH11 ARG 21 14.430 -4.783 -22.916 167 HH12 ARG 21 HH12 ARG 21 13.368 -6.148 -22.637 168 HH21 ARG 21 HH21 ARG 21 10.984 -5.171 -25.005 169 HH22 ARG 21 HH22 ARG 21 11.433 -6.371 -23.818 170 H GLU 22 H GLU 22 18.299 -0.590 -24.403 171 HA GLU 22 HA GLU 22 18.774 -3.166 -23.270 172 HB2 GLU 22 HB2 GLU 22 20.665 -0.812 -23.593 173 HB3 GLU 22 HB3 GLU 22 21.142 -2.499 -23.305 174 HG2 GLU 22 HG2 GLU 22 19.959 -3.139 -25.418 175 HG3 GLU 22 HG3 GLU 22 19.639 -1.428 -25.731 176 H ALA 23 H ALA 23 18.361 0.017 -21.861 177 HA ALA 23 HA ALA 23 19.621 -0.600 -19.337 178 HB1 ALA 23 HB1 ALA 23 17.519 1.529 -19.945 179 HB2 ALA 23 HB2 ALA 23 18.768 1.546 -18.682 180 HB3 ALA 23 HB3 ALA 23 19.206 1.697 -20.409 181 H VAL 24 H VAL 24 16.278 -0.741 -20.671 182 HA VAL 24 HA VAL 24 14.962 -1.233 -18.220 183 HB VAL 24 HB VAL 24 13.124 -1.214 -19.410 184 HG11 VAL 24 HG11 VAL 24 14.860 -0.344 -21.662 185 HG12 VAL 24 HG12 VAL 24 13.159 0.124 -21.375 186 HG13 VAL 24 HG13 VAL 24 14.426 0.661 -20.243 187 HG21 VAL 24 HG21 VAL 24 12.576 -2.218 -21.475 188 HG22 VAL 24 HG22 VAL 24 14.213 -2.958 -21.560 189 HG23 VAL 24 HG23 VAL 24 13.093 -3.335 -20.205 190 H HIS 25 H HIS 25 16.514 -2.972 -20.664 191 HA HIS 25 HA HIS 25 15.481 -5.525 -20.392 192 HB2 HIS 25 HB2 HIS 25 17.165 -4.217 -22.025 193 HB3 HIS 25 HB3 HIS 25 18.357 -5.174 -21.200 194 HD2 HIS 25 HD2 HIS 25 16.803 -5.131 -24.260 195 HE1 HIS 25 HE1 HIS 25 15.969 -9.187 -23.320 196 HE2 HIS 25 HE2 HIS 25 16.066 -7.476 -25.196 197 H CYS 26 H CYS 26 17.407 -3.809 -18.191 198 HA CYS 26 HA CYS 26 18.119 -6.313 -16.722 199 HB2 CYS 26 HB2 CYS 26 19.562 -3.627 -16.723 200 HB3 CYS 26 HB3 CYS 26 19.983 -5.030 -15.713 201 HG CYS 26 HG CYS 26 19.831 -4.840 -19.009 202 H TYR 27 H TYR 27 16.776 -3.061 -16.733 203 HA TYR 27 HA TYR 27 16.001 -2.712 -14.028 204 HB2 TYR 27 HB2 TYR 27 14.703 -2.118 -16.695 205 HB3 TYR 27 HB3 TYR 27 14.071 -1.433 -15.269 206 HD1 TYR 27 HD1 TYR 27 17.469 -1.257 -14.529 207 HD2 TYR 27 HD2 TYR 27 14.531 0.414 -17.199 208 HE1 TYR 27 HE1 TYR 27 18.846 0.777 -14.783 209 HE2 TYR 27 HE2 TYR 27 15.871 2.442 -17.445 210 HH TYR 27 HH TYR 27 19.054 2.821 -15.794 211 H ASP 28 H ASP 28 14.671 -4.715 -16.668 212 HA ASP 28 HA ASP 28 12.099 -5.142 -15.575 213 HB2 ASP 28 HB2 ASP 28 12.795 -5.569 -17.927 214 HB3 ASP 28 HB3 ASP 28 13.759 -6.945 -17.370 215 H GLN 29 H GLN 29 15.263 -6.650 -14.888 216 HA GLN 29 HA GLN 29 14.038 -8.810 -13.420 217 HB2 GLN 29 HB2 GLN 29 16.916 -7.840 -13.570 218 HB3 GLN 29 HB3 GLN 29 16.372 -9.274 -12.682 219 HG2 GLN 29 HG2 GLN 29 16.790 -10.366 -14.619 220 HG3 GLN 29 HG3 GLN 29 15.192 -9.798 -15.063 221 HE21 GLN 29 HE22 GLN 29 14.991 -8.494 -16.868 222 HE22 GLN 29 HE21 GLN 29 16.344 -7.801 -17.740 223 H LEU 30 H LEU 30 14.668 -5.466 -12.686 224 HA LEU 30 HA LEU 30 14.960 -5.753 -9.808 225 HB2 LEU 30 HB2 LEU 30 13.677 -3.519 -11.417 226 HB3 LEU 30 HB3 LEU 30 14.286 -3.401 -9.754 227 HG LEU 30 HG LEU 30 15.846 -3.755 -12.307 228 HD11 LEU 30 HD11 LEU 30 15.909 -1.616 -10.143 229 HD12 LEU 30 HD12 LEU 30 16.900 -1.644 -11.622 230 HD13 LEU 30 HD13 LEU 30 15.132 -1.462 -11.736 231 HD21 LEU 30 HD21 LEU 30 16.902 -5.182 -10.596 232 HD22 LEU 30 HD22 LEU 30 17.891 -3.736 -10.868 233 HD23 LEU 30 HD23 LEU 30 16.857 -3.840 -9.423 234 H ILE 31 H ILE 31 12.255 -5.536 -12.126 235 HA ILE 31 HA ILE 31 10.260 -5.493 -10.006 236 HB ILE 31 HB ILE 31 9.796 -6.237 -12.929 237 HG12 ILE 31 HG12 ILE 31 8.973 -3.597 -12.614 238 HG13 ILE 31 HG13 ILE 31 10.485 -3.620 -11.698 239 HG21 ILE 31 HG21 ILE 31 8.202 -4.971 -10.703 240 HG22 ILE 31 HG22 ILE 31 7.577 -5.333 -12.339 241 HG23 ILE 31 HG23 ILE 31 8.054 -6.681 -11.263 242 HD11 ILE 31 HD11 ILE 31 11.642 -4.560 -13.655 243 HD12 ILE 31 HD12 ILE 31 10.113 -4.540 -14.581 244 HD13 ILE 31 HD13 ILE 31 10.851 -3.010 -14.060 245 H THR 32 H THR 32 11.783 -7.990 -12.093 246 HA THR 32 HA THR 32 9.948 -9.996 -11.075 247 HB THR 32 HB THR 32 12.634 -10.019 -12.522 248 HG1 THR 32 HG1 THR 32 10.890 -9.303 -13.724 249 HG21 THR 32 HG21 THR 32 10.883 -12.445 -12.011 250 HG22 THR 32 HG22 THR 32 12.286 -12.373 -13.118 251 HG23 THR 32 HG23 THR 32 12.531 -12.158 -11.380 252 H ALA 33 H ALA 33 13.031 -8.680 -9.944 253 HA ALA 33 HA ALA 33 13.356 -10.883 -8.048 254 HB1 ALA 33 HB1 ALA 33 14.769 -8.174 -8.240 255 HB2 ALA 33 HB2 ALA 33 15.266 -9.535 -7.221 256 HB3 ALA 33 HB3 ALA 33 15.335 -9.689 -8.991 257 H GLN 34 H GLN 34 11.960 -7.645 -8.191 258 HA GLN 34 HA GLN 34 10.792 -8.026 -5.542 259 HB2 GLN 34 HB2 GLN 34 13.120 -6.705 -5.784 260 HB3 GLN 34 HB3 GLN 34 12.107 -5.385 -6.282 261 HG2 GLN 34 HG2 GLN 34 11.077 -5.316 -4.051 262 HG3 GLN 34 HG3 GLN 34 11.683 -6.953 -3.694 263 HE21 GLN 34 HE22 GLN 34 13.624 -4.701 -5.516 264 HE22 GLN 34 HE21 GLN 34 14.920 -4.552 -4.373 265 HA PRO 35 HA PRO 35 8.106 -6.529 -8.964 266 HB2 PRO 35 HB2 PRO 35 6.042 -8.361 -8.327 267 HB3 PRO 35 HB3 PRO 35 7.332 -8.517 -9.538 268 HG2 PRO 35 HG2 PRO 35 7.114 -9.967 -6.980 269 HG3 PRO 35 HG3 PRO 35 8.210 -10.246 -8.372 270 HD2 PRO 35 HD2 PRO 35 8.916 -9.037 -5.910 271 HD3 PRO 35 HD3 PRO 35 9.900 -9.368 -7.357 272 H GLN 36 H GLN 36 7.943 -6.821 -5.702 273 HA GLN 36 HA GLN 36 5.936 -4.635 -5.538 274 HB2 GLN 36 HB2 GLN 36 7.028 -6.280 -3.219 275 HB3 GLN 36 HB3 GLN 36 5.737 -5.071 -3.151 276 HG2 GLN 36 HG2 GLN 36 4.287 -6.753 -3.485 277 HG3 GLN 36 HG3 GLN 36 4.887 -6.849 -5.150 278 HE21 GLN 36 HE22 GLN 36 6.713 -8.322 -5.569 279 HE22 GLN 36 HE21 GLN 36 7.008 -9.702 -4.522 280 H ASN 37 H ASN 37 8.269 -3.898 -6.641 281 HA ASN 37 HA ASN 37 9.180 -1.890 -4.664 282 HB2 ASN 37 HB2 ASN 37 11.360 -2.592 -4.755 283 HB3 ASN 37 HB3 ASN 37 10.763 -4.017 -5.572 284 HD21 ASN 37 HD22 ASN 37 10.708 -4.085 -7.858 285 HD22 ASN 37 HD21 ASN 37 11.891 -3.167 -8.785 286 HA PRO 38 HA PRO 38 7.949 0.599 -8.120 287 HB2 PRO 38 HB2 PRO 38 9.555 2.692 -6.893 288 HB3 PRO 38 HB3 PRO 38 7.778 2.661 -7.167 289 HG2 PRO 38 HG2 PRO 38 8.967 2.530 -4.660 290 HG3 PRO 38 HG3 PRO 38 7.470 1.617 -5.047 291 HD2 PRO 38 HD2 PRO 38 10.343 0.639 -5.078 292 HD3 PRO 38 HD3 PRO 38 8.866 -0.131 -4.397 293 H VAL 39 H VAL 39 11.440 1.390 -7.025 294 HA VAL 39 HA VAL 39 12.299 2.591 -9.229 295 HB VAL 39 HB VAL 39 14.198 2.362 -8.389 296 HG11 VAL 39 HG11 VAL 39 13.090 2.344 -6.329 297 HG12 VAL 39 HG12 VAL 39 13.169 0.544 -6.247 298 HG13 VAL 39 HG13 VAL 39 14.660 1.541 -6.268 299 HG21 VAL 39 HG21 VAL 39 14.868 0.615 -9.723 300 HG22 VAL 39 HG22 VAL 39 15.521 0.282 -8.105 301 HG23 VAL 39 HG23 VAL 39 14.090 -0.614 -8.702 302 H GLY 40 H GLY 40 11.650 -0.737 -8.915 303 HA2 GLY 40 HA2 GLY 40 12.688 -1.934 -11.322 304 HA3 GLY 40 HA3 GLY 40 11.276 -2.465 -10.471 305 H TYR 41 H TYR 41 9.339 -0.689 -10.822 306 HA TYR 41 HA TYR 41 8.695 -0.567 -13.597 307 HB2 TYR 41 HB2 TYR 41 7.664 0.882 -11.131 308 HB3 TYR 41 HB3 TYR 41 6.781 0.817 -12.616 309 HD1 TYR 41 HD2 TYR 41 6.109 -1.560 -13.513 310 HD2 TYR 41 HD1 TYR 41 7.416 -0.741 -9.514 311 HE1 TYR 41 HE2 TYR 41 5.095 -3.695 -12.763 312 HE2 TYR 41 HE1 TYR 41 6.447 -2.912 -8.740 313 HH TYR 41 HH TYR 41 5.292 -4.797 -9.356 314 H SER 42 H SER 42 10.279 1.608 -11.297 315 HA SER 42 HA SER 42 9.605 4.064 -12.617 316 HB2 SER 42 HB2 SER 42 11.964 3.543 -10.744 317 HB3 SER 42 HB3 SER 42 11.130 5.087 -11.055 318 HG SER 42 HG SER 42 9.919 2.793 -9.929 319 H ASN 43 H ASN 43 12.371 1.839 -12.887 320 HA ASN 43 HA ASN 43 13.885 3.767 -14.506 321 HB2 ASN 43 HB2 ASN 43 14.417 0.881 -13.694 322 HB3 ASN 43 HB3 ASN 43 15.577 1.963 -14.493 323 HD21 ASN 43 HD22 ASN 43 16.504 0.951 -12.263 324 HD22 ASN 43 HD21 ASN 43 16.457 2.113 -10.949 325 H LYS 44 H LYS 44 12.308 0.563 -14.919 326 HA LYS 44 HA LYS 44 12.559 0.247 -17.745 327 HB2 LYS 44 HB2 LYS 44 11.909 -1.471 -16.181 328 HB3 LYS 44 HB3 LYS 44 10.419 -0.595 -15.773 329 HG2 LYS 44 HG2 LYS 44 9.608 -0.855 -18.092 330 HG3 LYS 44 HG3 LYS 44 11.126 -1.665 -18.542 331 HD2 LYS 44 HD2 LYS 44 10.655 -3.466 -16.917 332 HD3 LYS 44 HD3 LYS 44 9.146 -2.648 -16.439 333 HE2 LYS 44 HE2 LYS 44 8.301 -2.859 -18.754 334 HE3 LYS 44 HE3 LYS 44 9.805 -3.670 -19.233 335 HZ1 LYS 44 HZ1 LYS 44 7.894 -4.677 -17.227 336 HZ2 LYS 44 HZ2 LYS 44 8.062 -5.236 -18.764 337 HZ3 LYS 44 HZ3 LYS 44 9.285 -5.427 -17.691 338 H ALA 45 H ALA 45 10.475 2.330 -15.760 339 HA ALA 45 HA ALA 45 8.640 2.915 -17.967 340 HB1 ALA 45 HB1 ALA 45 9.027 4.241 -15.247 341 HB2 ALA 45 HB2 ALA 45 7.707 4.581 -16.386 342 HB3 ALA 45 HB3 ALA 45 7.847 2.975 -15.645 343 H MET 46 H MET 46 11.248 4.727 -16.210 344 HA MET 46 HA MET 46 10.971 7.113 -17.652 345 HB2 MET 46 HB2 MET 46 12.353 6.726 -15.594 346 HB3 MET 46 HB3 MET 46 13.538 5.877 -16.595 347 HG2 MET 46 HG2 MET 46 14.346 8.070 -16.310 348 HG3 MET 46 HG3 MET 46 13.789 7.972 -17.975 349 HE1 MET 46 HE1 MET 46 12.159 9.438 -19.050 350 HE2 MET 46 HE2 MET 46 10.702 8.897 -18.180 351 HE3 MET 46 HE3 MET 46 11.090 10.621 -18.266 352 H ALA 47 H ALA 47 12.639 4.095 -18.511 353 HA ALA 47 HA ALA 47 13.995 5.127 -20.826 354 HB1 ALA 47 HB1 ALA 47 13.075 2.333 -20.056 355 HB2 ALA 47 HB2 ALA 47 14.208 2.710 -21.375 356 HB3 ALA 47 HB3 ALA 47 14.656 3.055 -19.686 357 H LEU 48 H LEU 48 10.754 3.668 -20.273 358 HA LEU 48 HA LEU 48 10.103 3.419 -23.058 359 HB2 LEU 48 HB2 LEU 48 8.412 3.611 -20.551 360 HB3 LEU 48 HB3 LEU 48 7.734 3.301 -22.164 361 HG LEU 48 HG LEU 48 9.889 1.570 -20.904 362 HD11 LEU 48 HD11 LEU 48 7.978 -0.017 -20.453 363 HD12 LEU 48 HD12 LEU 48 7.873 1.486 -19.506 364 HD13 LEU 48 HD13 LEU 48 6.851 1.270 -20.944 365 HD21 LEU 48 HD21 LEU 48 9.603 1.495 -23.409 366 HD22 LEU 48 HD22 LEU 48 9.324 -0.045 -22.569 367 HD23 LEU 48 HD23 LEU 48 7.937 0.912 -23.120 368 H ILE 49 H ILE 49 10.169 6.234 -20.916 369 HA ILE 49 HA ILE 49 8.476 7.817 -22.713 370 HB ILE 49 HB ILE 49 10.347 8.392 -20.386 371 HG12 ILE 49 HG12 ILE 49 8.238 9.713 -19.692 372 HG13 ILE 49 HG13 ILE 49 7.402 8.849 -20.975 373 HG21 ILE 49 HG21 ILE 49 9.164 10.479 -22.240 374 HG22 ILE 49 HG22 ILE 49 9.955 10.815 -20.692 375 HG23 ILE 49 HG23 ILE 49 10.903 10.113 -22.017 376 HD11 ILE 49 HD11 ILE 49 8.919 7.528 -18.680 377 HD12 ILE 49 HD12 ILE 49 7.160 7.697 -18.783 378 HD13 ILE 49 HD13 ILE 49 8.020 6.684 -19.968 379 H LYS 50 H LYS 50 12.010 7.517 -22.073 380 HA LYS 50 HA LYS 50 12.830 9.151 -24.215 381 HB2 LYS 50 HB2 LYS 50 13.933 7.488 -22.131 382 HB3 LYS 50 HB3 LYS 50 14.734 7.123 -23.658 383 HG2 LYS 50 HG2 LYS 50 15.913 8.964 -22.602 384 HG3 LYS 50 HG3 LYS 50 15.064 9.585 -24.033 385 HD2 LYS 50 HD2 LYS 50 14.710 11.168 -22.280 386 HD3 LYS 50 HD3 LYS 50 13.177 10.305 -22.451 387 HE2 LYS 50 HE2 LYS 50 13.588 9.010 -20.484 388 HE3 LYS 50 HE3 LYS 50 15.316 9.382 -20.518 389 HZ1 LYS 50 HZ1 LYS 50 13.183 11.362 -19.995 390 HZ2 LYS 50 HZ2 LYS 50 14.121 10.667 -18.834 391 HZ3 LYS 50 HZ3 LYS 50 14.794 11.658 -19.952 392 H LEU 51 H LEU 51 11.372 5.987 -24.310 393 HA LEU 51 HA LEU 51 12.434 5.462 -27.026 394 HB2 LEU 51 HB2 LEU 51 10.759 3.895 -25.027 395 HB3 LEU 51 HB3 LEU 51 11.075 3.347 -26.678 396 HG LEU 51 HG LEU 51 13.305 3.953 -24.691 397 HD11 LEU 51 HD11 LEU 51 11.938 1.319 -25.396 398 HD12 LEU 51 HD12 LEU 51 13.407 1.492 -24.399 399 HD13 LEU 51 HD13 LEU 51 11.857 2.154 -23.825 400 HD21 LEU 51 HD21 LEU 51 13.236 2.356 -27.280 401 HD22 LEU 51 HD22 LEU 51 14.012 3.945 -27.043 402 HD23 LEU 51 HD23 LEU 51 14.621 2.516 -26.177 403 H GLY 52 H GLY 52 9.692 6.522 -25.134 404 HA2 GLY 52 HA2 GLY 52 7.897 7.760 -25.750 405 HA3 GLY 52 HA3 GLY 52 8.200 7.490 -27.456 406 H GLU 53 H GLU 53 8.232 4.698 -25.385 407 HA GLU 53 HA GLU 53 5.513 3.844 -26.197 408 HB2 GLU 53 HB2 GLU 53 7.535 2.290 -24.521 409 HB3 GLU 53 HB3 GLU 53 6.260 1.635 -25.578 410 HG2 GLU 53 HG2 GLU 53 7.667 2.756 -27.496 411 HG3 GLU 53 HG3 GLU 53 8.954 2.825 -26.296 412 H TYR 54 H TYR 54 5.902 6.022 -24.617 413 HA TYR 54 HA TYR 54 5.212 6.225 -22.084 414 HB2 TYR 54 HB2 TYR 54 3.550 6.828 -24.490 415 HB3 TYR 54 HB3 TYR 54 3.247 7.621 -23.037 416 HD1 TYR 54 HD1 TYR 54 6.383 8.214 -22.566 417 HD2 TYR 54 HD2 TYR 54 3.795 8.448 -25.966 418 HE1 TYR 54 HE1 TYR 54 7.956 9.837 -23.646 419 HE2 TYR 54 HE2 TYR 54 5.414 9.962 -27.118 420 HH TYR 54 HH TYR 54 8.411 11.083 -25.500 421 H THR 55 H THR 55 3.042 4.667 -24.574 422 HA THR 55 HA THR 55 0.690 4.434 -23.094 423 HB THR 55 HB THR 55 1.759 2.237 -24.887 424 HG1 THR 55 HG1 THR 55 0.916 3.471 -26.570 425 HG21 THR 55 HG21 THR 55 -1.012 3.389 -24.326 426 HG22 THR 55 HG22 THR 55 -0.658 2.031 -25.426 427 HG23 THR 55 HG23 THR 55 -0.385 1.858 -23.678 428 H GLN 56 H GLN 56 3.569 2.519 -23.063 429 HA GLN 56 HA GLN 56 2.601 0.539 -21.109 430 HB2 GLN 56 HB2 GLN 56 5.375 1.050 -22.262 431 HB3 GLN 56 HB3 GLN 56 4.832 -0.415 -21.408 432 HG2 GLN 56 HG2 GLN 56 3.902 0.657 -24.113 433 HG3 GLN 56 HG3 GLN 56 4.896 -0.769 -23.834 434 HE21 GLN 56 HE22 GLN 56 1.689 0.643 -23.613 435 HE22 GLN 56 HE21 GLN 56 0.795 -0.855 -23.381 436 H ALA 57 H ALA 57 4.853 3.288 -21.242 437 HA ALA 57 HA ALA 57 5.965 3.126 -18.675 438 HB1 ALA 57 HB1 ALA 57 6.480 5.491 -19.035 439 HB2 ALA 57 HB2 ALA 57 6.575 4.662 -20.624 440 HB3 ALA 57 HB3 ALA 57 5.162 5.638 -20.218 441 H ILE 58 H ILE 58 2.896 4.579 -19.738 442 HA ILE 58 HA ILE 58 2.199 5.968 -17.366 443 HB ILE 58 HB ILE 58 0.528 4.609 -19.503 444 HG12 ILE 58 HG12 ILE 58 1.018 7.586 -19.338 445 HG13 ILE 58 HG13 ILE 58 2.273 6.556 -20.009 446 HG21 ILE 58 HG21 ILE 58 -0.874 5.105 -17.531 447 HG22 ILE 58 HG22 ILE 58 -0.297 6.787 -17.540 448 HG23 ILE 58 HG23 ILE 58 -1.276 6.184 -18.890 449 HD11 ILE 58 HD11 ILE 58 -0.610 6.719 -21.005 450 HD12 ILE 58 HD12 ILE 58 0.865 7.244 -21.860 451 HD13 ILE 58 HD13 ILE 58 0.574 5.525 -21.548 452 H GLN 59 H GLN 59 1.831 2.529 -18.378 453 HA GLN 59 HA GLN 59 0.164 1.805 -16.155 454 HB2 GLN 59 HB2 GLN 59 1.924 0.115 -17.977 455 HB3 GLN 59 HB3 GLN 59 0.595 -0.438 -16.936 456 HG2 GLN 59 HG2 GLN 59 0.493 1.209 -19.470 457 HG3 GLN 59 HG3 GLN 59 -0.298 -0.342 -19.117 458 HE21 GLN 59 HE22 GLN 59 -0.935 2.808 -19.621 459 HE22 GLN 59 HE21 GLN 59 -2.315 3.034 -18.544 460 H MET 60 H MET 60 3.651 1.801 -16.836 461 HA MET 60 HA MET 60 4.494 0.230 -14.556 462 HB2 MET 60 HB2 MET 60 5.938 2.413 -16.086 463 HB3 MET 60 HB3 MET 60 6.679 1.254 -14.969 464 HG2 MET 60 HG2 MET 60 5.448 0.679 -17.676 465 HG3 MET 60 HG3 MET 60 7.139 0.599 -17.209 466 HE1 MET 60 HE1 MET 60 4.106 -1.160 -18.000 467 HE2 MET 60 HE2 MET 60 3.959 -2.596 -16.955 468 HE3 MET 60 HE3 MET 60 3.570 -0.985 -16.311 469 H CYS 61 H CYS 61 4.062 3.772 -15.063 470 HA CYS 61 HA CYS 61 5.354 4.481 -12.609 471 HB2 CYS 61 HB2 CYS 61 3.388 5.955 -14.412 472 HB3 CYS 61 HB3 CYS 61 4.266 6.689 -13.050 473 HG CYS 61 HG CYS 61 5.471 5.123 -15.700 474 H GLN 62 H GLN 62 1.837 4.509 -13.454 475 HA GLN 62 HA GLN 62 0.921 4.883 -10.835 476 HB2 GLN 62 HB2 GLN 62 -1.188 3.860 -11.584 477 HB3 GLN 62 HB3 GLN 62 -0.553 5.110 -12.674 478 HG2 GLN 62 HG2 GLN 62 -0.890 3.644 -14.332 479 HG3 GLN 62 HG3 GLN 62 0.528 2.778 -13.720 480 HE21 GLN 62 HE22 GLN 62 0.181 0.963 -12.244 481 HE22 GLN 62 HE21 GLN 62 -1.350 0.121 -12.237 482 H GLN 63 H GLN 63 2.214 1.862 -12.218 483 HA GLN 63 HA GLN 63 1.377 0.129 -10.064 484 HB2 GLN 63 HB2 GLN 63 2.858 0.047 -12.534 485 HB3 GLN 63 HB3 GLN 63 3.949 -0.494 -11.266 486 HG2 GLN 63 HG2 GLN 63 2.844 -2.348 -12.275 487 HG3 GLN 63 HG3 GLN 63 2.298 -2.216 -10.583 488 HE21 GLN 63 HE22 GLN 63 1.403 -1.960 -14.003 489 HE22 GLN 63 HE21 GLN 63 -0.327 -1.836 -13.735 490 H GLY 64 H GLY 64 4.440 2.011 -10.650 491 HA2 GLY 64 HA2 GLY 64 5.896 1.164 -8.485 492 HA3 GLY 64 HA3 GLY 64 5.896 2.830 -9.090 493 H LEU 65 H LEU 65 3.135 3.443 -8.451 494 HA LEU 65 HA LEU 65 3.496 4.410 -5.791 495 HB2 LEU 65 HB2 LEU 65 1.057 4.317 -7.601 496 HB3 LEU 65 HB3 LEU 65 1.177 5.285 -6.120 497 HG LEU 65 HG LEU 65 3.152 5.548 -8.422 498 HD11 LEU 65 HD11 LEU 65 0.766 5.951 -9.100 499 HD12 LEU 65 HD12 LEU 65 0.706 7.264 -7.906 500 HD13 LEU 65 HD13 LEU 65 1.848 7.345 -9.283 501 HD21 LEU 65 HD21 LEU 65 3.992 7.392 -7.287 502 HD22 LEU 65 HD22 LEU 65 2.428 7.797 -6.561 503 HD23 LEU 65 HD23 LEU 65 3.433 6.487 -5.887 504 H ARG 66 H ARG 66 2.669 1.256 -6.686 505 HA ARG 66 HA ARG 66 0.521 0.808 -4.757 506 HB2 ARG 66 HB2 ARG 66 2.305 -0.901 -6.554 507 HB3 ARG 66 HB3 ARG 66 0.972 -1.569 -5.638 508 HG2 ARG 66 HG2 ARG 66 -0.598 -0.004 -6.765 509 HG3 ARG 66 HG3 ARG 66 0.740 0.620 -7.746 510 HD2 ARG 66 HD2 ARG 66 -0.350 -1.056 -9.040 511 HD3 ARG 66 HD3 ARG 66 1.216 -1.713 -8.519 512 HE ARG 66 HE ARG 66 -0.369 -2.656 -6.563 513 HH11 ARG 66 HH11 ARG 66 -0.889 -2.651 -10.070 514 HH12 ARG 66 HH12 ARG 66 -1.853 -4.109 -10.037 515 HH21 ARG 66 HH21 ARG 66 -1.639 -4.543 -6.564 516 HH22 ARG 66 HH22 ARG 66 -2.266 -5.176 -8.066 517 H TYR 67 H TYR 67 3.876 1.020 -4.931 518 HA TYR 67 HA TYR 67 4.337 -0.682 -2.528 519 HB2 TYR 67 HB2 TYR 67 6.273 0.060 -4.729 520 HB3 TYR 67 HB3 TYR 67 6.408 -1.273 -3.569 521 HD1 TYR 67 HD2 TYR 67 4.418 -3.038 -3.700 522 HD2 TYR 67 HD1 TYR 67 5.474 -0.302 -6.846 523 HE1 TYR 67 HE2 TYR 67 3.343 -4.538 -5.345 524 HE2 TYR 67 HE1 TYR 67 4.245 -1.692 -8.470 525 HH TYR 67 HH TYR 67 3.105 -3.673 -8.823 526 H THR 68 H THR 68 4.358 2.583 -3.531 527 HA THR 68 HA THR 68 6.752 3.399 -2.107 528 HB THR 68 HB THR 68 5.871 5.710 -2.627 529 HG1 THR 68 HG1 THR 68 3.676 5.230 -2.714 530 HG21 THR 68 HG21 THR 68 7.418 4.704 -4.151 531 HG22 THR 68 HG22 THR 68 6.169 3.642 -4.829 532 HG23 THR 68 HG23 THR 68 6.104 5.406 -5.121 533 H SER 69 H SER 69 4.595 1.973 -0.568 534 HA SER 69 HA SER 69 3.213 3.781 1.132 535 HB2 SER 69 HB2 SER 69 4.117 0.897 1.514 536 HB3 SER 69 HB3 SER 69 2.955 1.756 2.544 537 HG SER 69 HG SER 69 1.629 2.013 0.699 538 H THR 70 H THR 70 6.448 3.704 0.930 539 HA THR 70 HA THR 70 6.835 4.321 3.813 540 HB THR 70 HB THR 70 7.458 2.011 3.667 541 HG1 THR 70 HG1 THR 70 9.666 2.197 4.143 542 HG21 THR 70 HG21 THR 70 9.246 1.263 2.065 543 HG22 THR 70 HG22 THR 70 7.714 1.689 1.291 544 HG23 THR 70 HG23 THR 70 9.079 2.825 1.217 545 H ALA 71 H ALA 71 8.804 5.499 4.274 546 HA ALA 71 HA ALA 71 9.147 7.645 2.370 547 HB1 ALA 71 HB1 ALA 71 10.486 8.645 4.155 548 HB2 ALA 71 HB2 ALA 71 8.986 7.968 4.816 549 HB3 ALA 71 HB3 ALA 71 10.520 7.089 5.020 550 H GLU 72 H GLU 72 10.829 4.627 2.596 551 HA GLU 72 HA GLU 72 13.337 5.716 1.566 552 HB2 GLU 72 HB2 GLU 72 13.814 3.334 1.048 553 HB3 GLU 72 HB3 GLU 72 13.346 3.595 2.742 554 HG2 GLU 72 HG2 GLU 72 11.007 2.920 2.104 555 HG3 GLU 72 HG3 GLU 72 11.615 2.506 0.496 556 H HIS 73 H HIS 73 10.190 5.297 0.369 557 HA HIS 73 HA HIS 73 11.149 5.116 -2.440 558 HB2 HIS 73 HB2 HIS 73 8.573 4.124 -1.181 559 HB3 HIS 73 HB3 HIS 73 8.893 4.156 -2.917 560 HD2 HIS 73 HD2 HIS 73 12.123 3.134 -1.855 561 HE1 HIS 73 HE1 HIS 73 9.978 -0.536 -1.807 562 HE2 HIS 73 HE2 HIS 73 12.301 0.521 -1.813 563 H VAL 74 H VAL 74 10.360 7.448 -0.378 564 HA VAL 74 HA VAL 74 8.144 8.761 -1.666 565 HB VAL 74 HB VAL 74 8.868 9.256 0.616 566 HG11 VAL 74 HG11 VAL 74 10.885 10.476 1.122 567 HG12 VAL 74 HG12 VAL 74 11.344 9.016 0.223 568 HG13 VAL 74 HG13 VAL 74 11.314 10.598 -0.595 569 HG21 VAL 74 HG21 VAL 74 7.685 10.972 -0.764 570 HG22 VAL 74 HG22 VAL 74 8.774 11.722 0.434 571 HG23 VAL 74 HG23 VAL 74 9.267 11.607 -1.277 572 H ALA 75 H ALA 75 11.612 8.662 -2.209 573 HA ALA 75 HA ALA 75 12.068 10.842 -3.930 574 HB1 ALA 75 HB1 ALA 75 13.063 7.967 -4.175 575 HB2 ALA 75 HB2 ALA 75 13.847 9.418 -4.848 576 HB3 ALA 75 HB3 ALA 75 13.761 9.203 -3.078 577 H ILE 76 H ILE 76 10.990 7.592 -4.540 578 HA ILE 76 HA ILE 76 10.718 7.567 -7.380 579 HB ILE 76 HB ILE 76 10.044 6.048 -4.878 580 HG12 ILE 76 HG12 ILE 76 12.343 6.205 -6.246 581 HG13 ILE 76 HG13 ILE 76 11.823 4.843 -5.323 582 HG21 ILE 76 HG21 ILE 76 9.143 5.049 -7.579 583 HG22 ILE 76 HG22 ILE 76 9.038 4.269 -5.940 584 HG23 ILE 76 HG23 ILE 76 8.088 5.691 -6.284 585 HD11 ILE 76 HD11 ILE 76 12.691 4.444 -7.728 586 HD12 ILE 76 HD12 ILE 76 11.010 3.864 -7.543 587 HD13 ILE 76 HD13 ILE 76 11.331 5.453 -8.295 588 H ARG 77 H ARG 77 8.583 8.035 -4.621 589 HA ARG 77 HA ARG 77 6.083 7.933 -6.007 590 HB2 ARG 77 HB2 ARG 77 6.322 7.691 -3.591 591 HB3 ARG 77 HB3 ARG 77 6.850 9.371 -3.434 592 HG2 ARG 77 HG2 ARG 77 4.267 8.978 -4.863 593 HG3 ARG 77 HG3 ARG 77 4.263 8.507 -3.150 594 HD2 ARG 77 HD2 ARG 77 5.224 10.709 -2.536 595 HD3 ARG 77 HD3 ARG 77 5.126 11.226 -4.222 596 HE ARG 77 HE ARG 77 2.944 11.013 -2.294 597 HH11 ARG 77 HH11 ARG 77 3.766 11.093 -5.732 598 HH12 ARG 77 HH12 ARG 77 2.172 11.630 -6.212 599 HH21 ARG 77 HH21 ARG 77 0.873 11.703 -2.965 600 HH22 ARG 77 HH22 ARG 77 0.548 11.971 -4.658 601 H SER 78 H SER 78 8.588 10.230 -6.015 602 HA SER 78 HA SER 78 6.924 12.460 -7.029 603 HB2 SER 78 HB2 SER 78 8.925 12.595 -5.327 604 HB3 SER 78 HB3 SER 78 9.948 12.215 -6.691 605 HG SER 78 HG SER 78 9.102 14.071 -7.753 606 H LYS 79 H LYS 79 8.654 9.711 -8.221 607 HA LYS 79 HA LYS 79 9.274 11.025 -10.810 608 HB2 LYS 79 HB2 LYS 79 9.842 8.219 -9.759 609 HB3 LYS 79 HB3 LYS 79 10.435 8.906 -11.286 610 HG2 LYS 79 HG2 LYS 79 11.689 10.623 -10.075 611 HG3 LYS 79 HG3 LYS 79 11.069 10.015 -8.527 612 HD2 LYS 79 HD2 LYS 79 12.172 7.831 -8.931 613 HD3 LYS 79 HD3 LYS 79 12.782 8.436 -10.488 614 HE2 LYS 79 HE2 LYS 79 13.878 10.319 -9.285 615 HE3 LYS 79 HE3 LYS 79 13.335 9.631 -7.736 616 HZ1 LYS 79 HZ1 LYS 79 15.123 8.316 -9.675 617 HZ2 LYS 79 HZ2 LYS 79 15.597 9.009 -8.265 618 HZ3 LYS 79 HZ3 LYS 79 14.641 7.679 -8.240 619 H LEU 80 H LEU 80 7.319 8.411 -9.370 620 HA LEU 80 HA LEU 80 6.196 7.364 -11.773 621 HB2 LEU 80 HB2 LEU 80 5.365 7.498 -8.872 622 HB3 LEU 80 HB3 LEU 80 4.344 6.699 -10.062 623 HG LEU 80 HG LEU 80 5.604 4.853 -10.157 624 HD11 LEU 80 HD11 LEU 80 8.205 6.326 -9.825 625 HD12 LEU 80 HD12 LEU 80 7.922 4.593 -10.180 626 HD13 LEU 80 HD13 LEU 80 7.456 5.802 -11.373 627 HD21 LEU 80 HD21 LEU 80 6.854 4.433 -8.035 628 HD22 LEU 80 HD22 LEU 80 6.726 6.173 -7.670 629 HD23 LEU 80 HD23 LEU 80 5.260 5.184 -7.769 630 H GLN 81 H GLN 81 5.790 10.435 -10.407 631 HA GLN 81 HA GLN 81 3.123 10.878 -11.578 632 HB2 GLN 81 HB2 GLN 81 4.997 11.874 -9.454 633 HB3 GLN 81 HB3 GLN 81 3.965 13.120 -10.133 634 HG2 GLN 81 HG2 GLN 81 3.225 11.915 -8.040 635 HG3 GLN 81 HG3 GLN 81 2.022 12.094 -9.375 636 HE21 GLN 81 HE22 GLN 81 4.384 9.772 -7.997 637 HE22 GLN 81 HE21 GLN 81 3.439 8.357 -8.442 638 H TYR 82 H TYR 82 6.528 11.512 -12.147 639 HA TYR 82 HA TYR 82 6.079 13.989 -13.681 640 HB2 TYR 82 HB2 TYR 82 8.156 13.974 -12.636 641 HB3 TYR 82 HB3 TYR 82 8.360 12.227 -12.877 642 HD1 TYR 82 HD1 TYR 82 8.104 15.323 -15.035 643 HD2 TYR 82 HD2 TYR 82 9.847 11.454 -14.376 644 HE1 TYR 82 HE1 TYR 82 9.598 15.656 -16.999 645 HE2 TYR 82 HE2 TYR 82 11.469 11.855 -16.224 646 HH TYR 82 HH TYR 82 11.339 14.828 -18.231 647 H ARG 83 H ARG 83 7.346 10.696 -14.411 648 HA ARG 83 HA ARG 83 7.114 11.335 -17.284 649 HB2 ARG 83 HB2 ARG 83 8.446 9.476 -17.717 650 HB3 ARG 83 HB3 ARG 83 9.182 10.275 -16.350 651 HG2 ARG 83 HG2 ARG 83 7.263 7.999 -15.879 652 HG3 ARG 83 HG3 ARG 83 8.924 7.644 -16.375 653 HD2 ARG 83 HD2 ARG 83 8.494 9.563 -14.109 654 HD3 ARG 83 HD3 ARG 83 8.306 7.806 -13.841 655 HE ARG 83 HE ARG 83 10.796 9.029 -14.992 656 HH11 ARG 83 HH11 ARG 83 9.188 6.835 -12.747 657 HH12 ARG 83 HH12 ARG 83 10.681 6.299 -12.005 658 HH21 ARG 83 HH21 ARG 83 12.747 8.344 -13.958 659 HH22 ARG 83 HH22 ARG 83 12.674 7.111 -12.723 660 H LEU 84 H LEU 84 5.184 10.233 -14.875 661 HA LEU 84 HA LEU 84 3.396 8.549 -16.463 662 HB2 LEU 84 HB2 LEU 84 3.468 8.323 -14.040 663 HB3 LEU 84 HB3 LEU 84 3.201 10.014 -13.787 664 HG LEU 84 HG LEU 84 0.936 9.910 -14.675 665 HD11 LEU 84 HD11 LEU 84 1.439 6.908 -14.922 666 HD12 LEU 84 HD12 LEU 84 -0.134 7.723 -15.112 667 HD13 LEU 84 HD13 LEU 84 1.163 8.030 -16.274 668 HD21 LEU 84 HD21 LEU 84 -0.012 8.694 -12.779 669 HD22 LEU 84 HD22 LEU 84 1.501 7.793 -12.562 670 HD23 LEU 84 HD23 LEU 84 1.471 9.543 -12.273 671 H GLU 85 H GLU 85 3.896 12.021 -15.834 672 HA GLU 85 HA GLU 85 1.155 12.602 -16.721 673 HB2 GLU 85 HB2 GLU 85 1.350 14.602 -15.692 674 HB3 GLU 85 HB3 GLU 85 2.508 13.645 -14.730 675 HG2 GLU 85 HG2 GLU 85 4.375 14.601 -15.982 676 HG3 GLU 85 HG3 GLU 85 3.255 15.433 -17.065 677 H LEU 86 H LEU 86 4.241 12.344 -18.180 678 HA LEU 86 HA LEU 86 3.439 14.278 -20.292 679 HB2 LEU 86 HB2 LEU 86 5.718 14.540 -20.796 680 HB3 LEU 86 HB3 LEU 86 5.644 14.411 -19.027 681 HG LEU 86 HG LEU 86 6.166 11.867 -19.474 682 HD11 LEU 86 HD11 LEU 86 5.960 12.107 -22.027 683 HD12 LEU 86 HD12 LEU 86 7.350 13.193 -21.957 684 HD13 LEU 86 HD13 LEU 86 7.527 11.491 -21.466 685 HD21 LEU 86 HD21 LEU 86 7.643 13.477 -18.314 686 HD22 LEU 86 HD22 LEU 86 8.570 12.392 -19.369 687 HD23 LEU 86 HD23 LEU 86 8.237 14.062 -19.883 688 H ALA 87 H ALA 87 4.378 10.877 -19.712 689 HA ALA 87 HA ALA 87 4.568 9.904 -22.266 690 HB1 ALA 87 HB1 ALA 87 3.446 8.728 -19.682 691 HB2 ALA 87 HB2 ALA 87 3.925 7.757 -21.086 692 HB3 ALA 87 HB3 ALA 87 5.140 8.714 -20.207 693 H GLN 88 H GLN 88 1.597 9.698 -20.155 694 HA GLN 88 HA GLN 88 -0.115 8.963 -22.281 695 HB2 GLN 88 HB2 GLN 88 -1.926 9.669 -20.844 696 HB3 GLN 88 HB3 GLN 88 -0.793 8.535 -20.058 697 HG2 GLN 88 HG2 GLN 88 0.319 10.396 -18.927 698 HG3 GLN 88 HG3 GLN 88 -0.854 11.542 -19.595 699 HE21 GLN 88 HE22 GLN 88 -0.114 9.933 -16.842 700 HE22 GLN 88 HE21 GLN 88 -1.714 9.689 -16.157 701 H GLY 89 H GLY 89 1.211 12.040 -21.458 702 HA2 GLY 89 HA2 GLY 89 -0.846 13.602 -22.845 703 HA3 GLY 89 HA3 GLY 89 0.646 14.199 -22.092 704 H ALA 90 H ALA 90 1.418 11.499 -23.900 705 HA ALA 90 HA ALA 90 1.827 12.948 -26.457 706 HB1 ALA 90 HB1 ALA 90 3.781 11.144 -25.005 707 HB2 ALA 90 HB2 ALA 90 4.014 11.868 -26.620 708 HB3 ALA 90 HB3 ALA 90 3.920 12.912 -25.184 709 H VAL 91 H VAL 91 0.240 10.508 -24.917 710 HA VAL 91 HA VAL 91 0.696 8.371 -26.932 711 HB VAL 91 HB VAL 91 -0.240 8.498 -24.110 712 HG11 VAL 91 HG11 VAL 91 -0.223 6.027 -25.938 713 HG12 VAL 91 HG12 VAL 91 -0.016 5.963 -24.198 714 HG13 VAL 91 HG13 VAL 91 -1.580 6.548 -24.870 715 HG21 VAL 91 HG21 VAL 91 2.109 8.505 -24.847 716 HG22 VAL 91 HG22 VAL 91 1.598 7.094 -23.854 717 HG23 VAL 91 HG23 VAL 91 1.816 6.934 -25.637 718 H GLY 92 H GLY 92 -1.068 7.185 -27.742 719 HA2 GLY 92 HA2 GLY 92 -3.098 6.845 -28.620 720 HA3 GLY 92 HA3 GLY 92 -3.776 7.898 -27.351 721 H SER 93 H SER 93 -1.385 9.634 -28.992 722 HA SER 93 HA SER 93 -3.213 11.452 -30.199 723 HB2 SER 93 HB2 SER 93 -1.173 12.496 -31.096 724 HB3 SER 93 HB3 SER 93 -0.992 12.082 -29.377 725 HG SER 93 HG SER 93 0.818 11.441 -30.619 726 H VAL 94 H VAL 94 -2.890 12.182 -32.501 727 HA VAL 94 HA VAL 94 -3.643 11.874 -34.581 728 HB VAL 94 HB VAL 94 -1.461 9.780 -34.641 729 HG11 VAL 94 HG11 VAL 94 -2.960 11.297 -36.832 730 HG12 VAL 94 HG12 VAL 94 -1.533 10.267 -37.096 731 HG13 VAL 94 HG13 VAL 94 -3.064 9.556 -36.531 732 HG21 VAL 94 HG21 VAL 94 -1.593 12.753 -35.302 733 HG22 VAL 94 HG22 VAL 94 -0.701 12.018 -33.950 734 HG23 VAL 94 HG23 VAL 94 -0.189 11.703 -35.625 735 H GLN 95 H GLN 95 -5.641 11.364 -34.619 736 HA GLN 95 HA GLN 95 -6.656 8.695 -34.063 737 HB2 GLN 95 HB2 GLN 95 -7.807 11.383 -34.887 738 HB3 GLN 95 HB3 GLN 95 -8.807 9.958 -34.570 739 HG2 GLN 95 HG2 GLN 95 -8.278 9.951 -32.257 740 HG3 GLN 95 HG3 GLN 95 -6.779 10.851 -32.495 741 HE21 GLN 95 HE22 GLN 95 -6.767 13.098 -32.640 742 HE22 GLN 95 HE21 GLN 95 -8.174 14.065 -32.246 743 H ILE 96 H ILE 96 -5.132 9.924 -36.740 744 HA ILE 96 HA ILE 96 -6.763 8.320 -38.625 745 HB ILE 96 HB ILE 96 -6.566 10.172 -40.297 746 HG12 ILE 96 HG12 ILE 96 -5.834 11.869 -37.863 747 HG13 ILE 96 HG13 ILE 96 -4.707 11.411 -39.155 748 HG21 ILE 96 HG21 ILE 96 -8.637 9.709 -38.988 749 HG22 ILE 96 HG22 ILE 96 -8.126 10.919 -37.790 750 HG23 ILE 96 HG23 ILE 96 -8.486 11.403 -39.463 751 HD11 ILE 96 HD11 ILE 96 -5.534 13.660 -39.548 752 HD12 ILE 96 HD12 ILE 96 -6.166 12.570 -40.811 753 HD13 ILE 96 HD13 ILE 96 -7.213 13.114 -39.478 754 HA PRO 97 HA PRO 97 -2.036 8.119 -39.062 755 HB2 PRO 97 HB2 PRO 97 -1.529 5.613 -38.086 756 HB3 PRO 97 HB3 PRO 97 -1.650 7.043 -37.005 757 HG2 PRO 97 HG2 PRO 97 -3.810 5.020 -37.658 758 HG3 PRO 97 HG3 PRO 97 -3.284 5.594 -36.041 759 HD2 PRO 97 HD2 PRO 97 -5.439 6.677 -37.306 760 HD3 PRO 97 HD3 PRO 97 -4.310 7.704 -36.364 761 H VAL 98 H VAL 98 -0.850 6.651 -40.520 762 HA VAL 98 HA VAL 98 -2.585 5.563 -42.587 763 HB VAL 98 HB VAL 98 -0.587 6.898 -43.092 764 HG11 VAL 98 HG11 VAL 98 0.949 5.907 -41.329 765 HG12 VAL 98 HG12 VAL 98 1.106 4.467 -42.376 766 HG13 VAL 98 HG13 VAL 98 1.646 6.045 -42.952 767 HG21 VAL 98 HG21 VAL 98 -0.470 4.072 -44.199 768 HG22 VAL 98 HG22 VAL 98 -1.588 5.353 -44.730 769 HG23 VAL 98 HG23 VAL 98 0.165 5.544 -44.967 770 H VAL 99 H VAL 99 -3.487 4.141 -40.802 771 HA VAL 99 HA VAL 99 -2.059 1.892 -39.906 772 HB VAL 99 HB VAL 99 -4.110 3.175 -38.996 773 HG11 VAL 99 HG11 VAL 99 -5.454 3.041 -41.075 774 HG12 VAL 99 HG12 VAL 99 -5.641 1.287 -40.822 775 HG13 VAL 99 HG13 VAL 99 -6.312 2.426 -39.640 776 HG21 VAL 99 HG21 VAL 99 -4.200 0.152 -39.024 777 HG22 VAL 99 HG22 VAL 99 -3.204 1.195 -37.972 778 HG23 VAL 99 HG23 VAL 99 -4.985 1.237 -37.838 779 H GLU 100 H GLU 100 -2.017 2.289 -42.752 780 HA GLU 100 HA GLU 100 -3.472 0.486 -44.314 781 HB2 GLU 100 HB2 GLU 100 -2.139 2.350 -45.160 782 HB3 GLU 100 HB3 GLU 100 -0.642 1.618 -44.527 783 HG2 GLU 100 HG2 GLU 100 -0.762 -0.202 -46.041 784 HG3 GLU 100 HG3 GLU 100 -2.425 0.287 -46.480 785 H VAL 101 H VAL 101 -3.113 -1.535 -45.047 786 HA VAL 101 HA VAL 101 -0.839 -3.147 -44.016 787 HB VAL 101 HB VAL 101 -3.726 -4.075 -44.024 788 HG11 VAL 101 HG11 VAL 101 -2.789 -6.036 -42.819 789 HG12 VAL 101 HG12 VAL 101 -2.087 -5.872 -44.443 790 HG13 VAL 101 HG13 VAL 101 -1.158 -5.372 -43.008 791 HG21 VAL 101 HG21 VAL 101 -3.374 -2.461 -42.206 792 HG22 VAL 101 HG22 VAL 101 -3.507 -4.100 -41.548 793 HG23 VAL 101 HG23 VAL 101 -1.909 -3.338 -41.685 794 H ASP 102 H ASP 102 0.056 -4.353 -45.624 795 HA ASP 102 HA ASP 102 -1.473 -5.113 -47.981 796 HB2 ASP 102 HB2 ASP 102 -0.855 -2.720 -48.380 797 HB3 ASP 102 HB3 ASP 102 0.849 -3.130 -48.176 798 H GLU 103 H GLU 103 -0.074 -6.409 -45.826 799 HA GLU 103 HA GLU 103 1.753 -8.106 -47.399 800 HB2 GLU 103 HB2 GLU 103 2.944 -6.105 -46.021 801 HB3 GLU 103 HB3 GLU 103 2.740 -7.238 -44.691 802 HG2 GLU 103 HG2 GLU 103 3.939 -8.980 -46.039 803 HG3 GLU 103 HG3 GLU 103 4.098 -7.795 -47.345 804 H LEU 104 H LEU 104 2.741 -9.559 -45.288 805 HA LEU 104 HA LEU 104 0.864 -11.472 -44.635 806 HB2 LEU 104 HB2 LEU 104 3.486 -10.487 -43.584 807 HB3 LEU 104 HB3 LEU 104 2.715 -11.841 -42.711 808 HG LEU 104 HG LEU 104 3.151 -11.985 -45.683 809 HD11 LEU 104 HD11 LEU 104 4.878 -12.975 -43.366 810 HD12 LEU 104 HD12 LEU 104 5.094 -13.446 -45.067 811 HD13 LEU 104 HD13 LEU 104 5.346 -11.755 -44.572 812 HD21 LEU 104 HD21 LEU 104 1.434 -13.453 -44.838 813 HD22 LEU 104 HD22 LEU 104 2.897 -14.459 -44.883 814 HD23 LEU 104 HD23 LEU 104 2.334 -13.732 -43.341 815 HA PRO 105 HA PRO 105 -1.747 -10.456 -41.326 816 HB2 PRO 105 HB2 PRO 105 -0.392 -12.662 -39.784 817 HB3 PRO 105 HB3 PRO 105 -2.141 -12.432 -40.045 818 HG2 PRO 105 HG2 PRO 105 -0.888 -14.267 -41.514 819 HG3 PRO 105 HG3 PRO 105 -2.015 -13.120 -42.315 820 HD2 PRO 105 HD2 PRO 105 1.008 -12.970 -42.156 821 HD3 PRO 105 HD3 PRO 105 -0.005 -12.754 -43.592 822 H GLU 106 H GLU 106 -1.850 -9.936 -38.922 823 HA GLU 106 HA GLU 106 0.085 -7.898 -38.445 824 HB2 GLU 106 HB2 GLU 106 -1.276 -7.416 -36.452 825 HB3 GLU 106 HB3 GLU 106 -2.301 -7.694 -37.874 826 HG2 GLU 106 HG2 GLU 106 -2.731 -10.006 -37.142 827 HG3 GLU 106 HG3 GLU 106 -1.694 -9.765 -35.726 828 H GLY 107 H GLY 107 0.919 -10.916 -38.178 829 HA2 GLY 107 HA2 GLY 107 3.033 -10.500 -36.363 830 HA3 GLY 107 HA3 GLY 107 1.723 -11.273 -35.450 831 H TYR 108 H TYR 108 2.090 -12.088 -38.940 832 HA TYR 108 HA TYR 108 2.288 -14.854 -38.324 833 HB2 TYR 108 HB2 TYR 108 1.040 -13.974 -40.090 834 HB3 TYR 108 HB3 TYR 108 2.372 -12.944 -40.640 835 HD1 TYR 108 HD1 TYR 108 4.498 -14.180 -41.496 836 HD2 TYR 108 HD2 TYR 108 0.568 -15.865 -41.182 837 HE1 TYR 108 HE1 TYR 108 5.019 -15.649 -43.385 838 HE2 TYR 108 HE2 TYR 108 1.103 -17.481 -43.012 839 HH TYR 108 HH TYR 108 4.295 -17.465 -44.673 840 H ASP 109 H ASP 109 4.545 -12.329 -38.775 841 HA ASP 109 HA ASP 109 6.729 -12.291 -39.578 842 HB2 ASP 109 HB2 ASP 109 6.553 -12.056 -37.114 843 HB3 ASP 109 HB3 ASP 109 6.838 -13.794 -36.938 844 H ARG 110 H ARG 110 6.990 -13.453 -41.420 845 HA ARG 110 HA ARG 110 7.073 -16.228 -41.727 846 HB2 ARG 110 HB2 ARG 110 6.857 -14.460 -43.501 847 HB3 ARG 110 HB3 ARG 110 8.582 -14.117 -43.322 848 HG2 ARG 110 HG2 ARG 110 9.123 -16.444 -43.995 849 HG3 ARG 110 HG3 ARG 110 7.391 -16.813 -44.120 850 HD2 ARG 110 HD2 ARG 110 7.170 -15.063 -45.871 851 HD3 ARG 110 HD3 ARG 110 8.905 -14.724 -45.730 852 HE ARG 110 HE ARG 110 8.614 -17.491 -46.236 853 HH11 ARG 110 HH11 ARG 110 8.070 -14.405 -47.871 854 HH12 ARG 110 HH12 ARG 110 8.298 -15.080 -49.470 855 HH21 ARG 110 HH21 ARG 110 8.889 -18.344 -48.333 856 HH22 ARG 110 HH22 ARG 110 8.761 -17.295 -49.729 857 H SER 111 H SER 111 9.581 -14.132 -40.424 858 HA SER 111 HA SER 111 11.425 -16.449 -40.212 859 HB2 SER 111 HB2 SER 111 12.125 -13.855 -41.534 860 HB3 SER 111 HB3 SER 111 13.292 -15.123 -41.084 861 HG SER 111 HG SER 111 12.598 -15.304 -43.271 862 H1 ALA 701 H1 ALA 701 18.695 22.470 -15.409 863 H2 ALA 701 H2 ALA 701 19.806 22.431 -14.191 864 H3 ALA 701 H3 ALA 701 18.213 22.648 -13.849 865 HA ALA 701 HA ALA 701 17.669 20.473 -14.628 866 HB1 ALA 701 HB1 ALA 701 20.673 20.230 -15.069 867 HB2 ALA 701 HB2 ALA 701 19.487 18.912 -15.226 868 HB3 ALA 701 HB3 ALA 701 19.428 20.304 -16.336 869 H ASP 702 H ASP 702 16.986 19.667 -12.748 870 HA ASP 702 HA ASP 702 18.947 19.052 -10.640 871 HB2 ASP 702 HB2 ASP 702 16.448 20.749 -10.213 872 HB3 ASP 702 HB3 ASP 702 17.509 20.156 -8.927 873 H THR 703 H THR 703 17.361 17.531 -12.573 874 HA THR 703 HA THR 703 15.031 16.397 -11.379 875 HB THR 703 HB THR 703 15.345 14.669 -13.147 876 HG1 THR 703 HG1 THR 703 17.146 14.950 -14.518 877 HG21 THR 703 HG21 THR 703 15.850 17.532 -14.039 878 HG22 THR 703 HG22 THR 703 15.278 16.189 -15.075 879 HG23 THR 703 HG23 THR 703 14.264 16.777 -13.731 880 H GLU 704 H GLU 704 14.760 14.143 -10.951 881 HA GLU 704 HA GLU 704 17.126 12.557 -10.148 882 HB2 GLU 704 HB2 GLU 704 16.002 11.778 -8.111 883 HB3 GLU 704 HB3 GLU 704 16.324 13.515 -8.051 884 HG2 GLU 704 HG2 GLU 704 13.985 13.972 -8.740 885 HG3 GLU 704 HG3 GLU 704 13.657 12.234 -8.773 886 H MET 705 H MET 705 13.805 12.816 -11.318 887 HA MET 705 HA MET 705 13.220 10.084 -11.769 888 HB2 MET 705 HB2 MET 705 12.014 11.145 -13.823 889 HB3 MET 705 HB3 MET 705 11.426 11.476 -12.201 890 HG2 MET 705 HG2 MET 705 13.418 13.311 -13.618 891 HG3 MET 705 HG3 MET 705 11.679 13.469 -13.841 892 HE1 MET 705 HE1 MET 705 10.347 14.221 -10.296 893 HE2 MET 705 HE2 MET 705 10.059 13.384 -11.855 894 HE3 MET 705 HE3 MET 705 10.943 12.564 -10.567 895 H GLU 706 H GLU 706 15.488 12.298 -13.305 896 HA GLU 706 HA GLU 706 15.764 10.458 -15.599 897 HB2 GLU 706 HB2 GLU 706 15.237 12.943 -15.870 898 HB3 GLU 706 HB3 GLU 706 16.921 13.262 -15.431 899 HG2 GLU 706 HG2 GLU 706 17.648 11.782 -17.316 900 HG3 GLU 706 HG3 GLU 706 15.953 11.367 -17.620 901 H GLU 707 H GLU 707 16.729 10.181 -12.776 902 HA GLU 707 HA GLU 707 19.517 9.393 -13.405 903 HB2 GLU 707 HB2 GLU 707 18.484 10.580 -10.785 904 HB3 GLU 707 HB3 GLU 707 20.104 9.908 -11.042 905 HG2 GLU 707 HG2 GLU 707 20.444 11.594 -12.885 906 HG3 GLU 707 HG3 GLU 707 18.907 12.341 -12.422 907 H VAL 708 H VAL 708 16.934 8.142 -13.629 908 HA VAL 708 HA VAL 708 15.813 6.324 -13.310 909 HB VAL 708 HB VAL 708 16.822 4.387 -13.608 910 HG11 VAL 708 HG11 VAL 708 19.065 6.380 -14.134 911 HG12 VAL 708 HG12 VAL 708 18.830 4.831 -14.935 912 HG13 VAL 708 HG13 VAL 708 17.625 6.129 -15.173 913 HG21 VAL 708 HG21 VAL 708 18.068 3.752 -11.710 914 HG22 VAL 708 HG22 VAL 708 19.247 3.907 -13.000 915 HG23 VAL 708 HG23 VAL 708 19.100 5.223 -11.807 916 H ASP 709 H ASP 709 17.528 4.741 -10.702 917 HA ASP 709 HA ASP 709 15.038 4.428 -9.417 918 HB2 ASP 709 HB2 ASP 709 16.294 3.282 -7.656 919 HB3 ASP 709 HB3 ASP 709 16.678 2.715 -9.271 Start of MODEL 5 1 H1 SER 2 H1 SER 2 21.985 -10.492 -0.723 2 H2 SER 2 H2 SER 2 22.585 -11.670 -1.707 3 H3 SER 2 H3 SER 2 21.313 -11.996 -0.714 4 HA SER 2 HA SER 2 20.561 -11.734 -2.960 5 HB2 SER 2 HB2 SER 2 18.852 -9.997 -2.551 6 HB3 SER 2 HB3 SER 2 19.040 -11.097 -1.165 7 HG SER 2 HG SER 2 18.997 -8.878 -0.551 8 H GLN 3 H GLN 3 19.890 -9.886 -4.545 9 HA GLN 3 HA GLN 3 21.889 -7.738 -4.804 10 HB2 GLN 3 HB2 GLN 3 22.962 -9.730 -5.811 11 HB3 GLN 3 HB3 GLN 3 21.555 -9.969 -6.858 12 HG2 GLN 3 HG2 GLN 3 21.971 -7.843 -7.979 13 HG3 GLN 3 HG3 GLN 3 23.306 -7.473 -6.866 14 HE21 GLN 3 HE22 GLN 3 22.803 -8.330 -9.967 15 HE22 GLN 3 HE21 GLN 3 24.182 -9.372 -10.239 16 H PHE 4 H PHE 4 21.132 -6.032 -6.153 17 HA PHE 4 HA PHE 4 18.712 -6.282 -7.761 18 HB2 PHE 4 HB2 PHE 4 17.655 -6.203 -5.562 19 HB3 PHE 4 HB3 PHE 4 18.732 -4.921 -5.032 20 HD1 PHE 4 HD1 PHE 4 18.472 -2.551 -5.987 21 HD2 PHE 4 HD2 PHE 4 15.678 -5.725 -6.838 22 HE1 PHE 4 HE1 PHE 4 16.738 -0.890 -6.500 23 HE2 PHE 4 HE2 PHE 4 13.961 -4.033 -7.422 24 HZ PHE 4 HZ PHE 4 14.489 -1.608 -7.215 25 H GLU 5 H GLU 5 20.948 -4.370 -5.829 26 HA GLU 5 HA GLU 5 20.925 -1.908 -7.055 27 HB2 GLU 5 HB2 GLU 5 23.195 -3.607 -5.973 28 HB3 GLU 5 HB3 GLU 5 23.337 -1.889 -6.309 29 HG2 GLU 5 HG2 GLU 5 21.434 -1.412 -4.778 30 HG3 GLU 5 HG3 GLU 5 21.355 -3.125 -4.343 31 H LYS 6 H LYS 6 22.754 -4.919 -8.170 32 HA LYS 6 HA LYS 6 24.243 -3.205 -9.960 33 HB2 LYS 6 HB2 LYS 6 24.087 -6.124 -9.311 34 HB3 LYS 6 HB3 LYS 6 24.681 -5.687 -10.917 35 HG2 LYS 6 HG2 LYS 6 26.571 -5.830 -9.438 36 HG3 LYS 6 HG3 LYS 6 26.317 -4.129 -9.922 37 HD2 LYS 6 HD2 LYS 6 25.242 -3.664 -7.748 38 HD3 LYS 6 HD3 LYS 6 25.410 -5.377 -7.286 39 HE2 LYS 6 HE2 LYS 6 27.862 -5.187 -7.500 40 HE3 LYS 6 HE3 LYS 6 27.700 -3.489 -7.972 41 HZ1 LYS 6 HZ1 LYS 6 26.874 -4.634 -5.383 42 HZ2 LYS 6 HZ2 LYS 6 28.213 -3.713 -5.642 43 HZ3 LYS 6 HZ3 LYS 6 26.715 -3.057 -5.817 44 H GLN 7 H GLN 7 21.470 -5.401 -10.111 45 HA GLN 7 HA GLN 7 21.041 -5.408 -12.898 46 HB2 GLN 7 HB2 GLN 7 19.123 -5.588 -10.537 47 HB3 GLN 7 HB3 GLN 7 18.761 -6.136 -12.191 48 HG2 GLN 7 HG2 GLN 7 21.140 -7.188 -10.568 49 HG3 GLN 7 HG3 GLN 7 19.537 -7.901 -10.501 50 HE21 GLN 7 HE22 GLN 7 18.530 -8.512 -12.648 51 HE22 GLN 7 HE21 GLN 7 19.583 -9.117 -13.906 52 H LYS 8 H LYS 8 20.863 -2.823 -10.608 53 HA LYS 8 HA LYS 8 18.802 -1.334 -12.138 54 HB2 LYS 8 HB2 LYS 8 18.532 -1.765 -9.731 55 HB3 LYS 8 HB3 LYS 8 20.103 -1.029 -9.403 56 HG2 LYS 8 HG2 LYS 8 19.288 1.143 -10.174 57 HG3 LYS 8 HG3 LYS 8 17.737 0.407 -10.674 58 HD2 LYS 8 HD2 LYS 8 17.417 1.338 -8.425 59 HD3 LYS 8 HD3 LYS 8 17.404 -0.421 -8.366 60 HE2 LYS 8 HE2 LYS 8 18.754 0.391 -6.530 61 HE3 LYS 8 HE3 LYS 8 19.795 -0.414 -7.689 62 HZ1 LYS 8 HZ1 LYS 8 20.435 1.764 -8.543 63 HZ2 LYS 8 HZ2 LYS 8 19.406 2.512 -7.521 64 HZ3 LYS 8 HZ3 LYS 8 20.710 1.698 -6.928 65 H GLU 9 H GLU 9 22.068 -1.141 -10.719 66 HA GLU 9 HA GLU 9 22.678 1.459 -11.804 67 HB2 GLU 9 HB2 GLU 9 24.374 -0.716 -10.536 68 HB3 GLU 9 HB3 GLU 9 24.898 0.965 -10.790 69 HG2 GLU 9 HG2 GLU 9 22.341 0.284 -9.293 70 HG3 GLU 9 HG3 GLU 9 23.904 0.277 -8.483 71 H GLN 10 H GLN 10 23.182 -1.890 -12.833 72 HA GLN 10 HA GLN 10 25.217 -1.304 -14.763 73 HB2 GLN 10 HB2 GLN 10 24.377 -3.647 -13.944 74 HB3 GLN 10 HB3 GLN 10 23.048 -3.418 -15.095 75 HG2 GLN 10 HG2 GLN 10 25.107 -2.848 -16.742 76 HG3 GLN 10 HG3 GLN 10 25.983 -3.846 -15.561 77 HE21 GLN 10 HE22 GLN 10 23.123 -3.731 -17.712 78 HE22 GLN 10 HE21 GLN 10 23.025 -5.453 -18.006 79 H GLY 11 H GLY 11 21.645 -1.328 -14.972 80 HA2 GLY 11 HA2 GLY 11 21.712 -0.455 -17.772 81 HA3 GLY 11 HA3 GLY 11 20.280 -0.709 -16.754 82 H ASN 12 H ASN 12 21.726 1.024 -14.595 83 HA ASN 12 HA ASN 12 20.372 3.442 -14.989 84 HB2 ASN 12 HB2 ASN 12 21.212 2.473 -12.865 85 HB3 ASN 12 HB3 ASN 12 22.877 2.716 -13.437 86 HD21 ASN 12 HD22 ASN 12 22.141 3.457 -10.995 87 HD22 ASN 12 HD21 ASN 12 22.226 5.177 -10.859 88 H SER 13 H SER 13 23.641 2.380 -16.059 89 HA SER 13 HA SER 13 24.210 5.125 -16.973 90 HB2 SER 13 HB2 SER 13 26.360 4.222 -17.647 91 HB3 SER 13 HB3 SER 13 25.976 3.720 -15.984 92 HG SER 13 HG SER 13 26.747 1.977 -17.245 93 H LEU 14 H LEU 14 23.384 1.912 -18.393 94 HA LEU 14 HA LEU 14 23.686 2.475 -21.132 95 HB2 LEU 14 HB2 LEU 14 21.761 0.706 -19.646 96 HB3 LEU 14 HB3 LEU 14 22.124 0.645 -21.370 97 HG LEU 14 HG LEU 14 23.823 -0.161 -19.048 98 HD11 LEU 14 HD11 LEU 14 22.658 -1.691 -20.547 99 HD12 LEU 14 HD12 LEU 14 23.501 -0.911 -21.937 100 HD13 LEU 14 HD13 LEU 14 24.437 -1.867 -20.740 101 HD21 LEU 14 HD21 LEU 14 25.900 -0.101 -20.377 102 HD22 LEU 14 HD22 LEU 14 25.078 0.809 -21.656 103 HD23 LEU 14 HD23 LEU 14 25.349 1.544 -20.047 104 H PHE 15 H PHE 15 21.047 3.323 -18.876 105 HA PHE 15 HA PHE 15 19.118 4.114 -20.855 106 HB2 PHE 15 HB2 PHE 15 18.311 3.704 -18.689 107 HB3 PHE 15 HB3 PHE 15 19.653 4.552 -17.926 108 HD1 PHE 15 HD2 PHE 15 16.637 5.260 -20.062 109 HD2 PHE 15 HD1 PHE 15 19.417 6.688 -17.115 110 HE1 PHE 15 HE2 PHE 15 15.255 7.296 -19.735 111 HE2 PHE 15 HE1 PHE 15 17.911 8.569 -16.592 112 HZ PHE 15 HZ PHE 15 15.875 8.945 -17.975 113 H LYS 16 H LYS 16 21.953 5.678 -19.444 114 HA LYS 16 HA LYS 16 21.006 8.311 -20.240 115 HB2 LYS 16 HB2 LYS 16 23.723 7.603 -19.115 116 HB3 LYS 16 HB3 LYS 16 22.829 9.148 -18.982 117 HG2 LYS 16 HG2 LYS 16 21.128 7.972 -17.569 118 HG3 LYS 16 HG3 LYS 16 22.062 6.478 -17.759 119 HD2 LYS 16 HD2 LYS 16 22.735 7.289 -15.689 120 HD3 LYS 16 HD3 LYS 16 24.060 7.756 -16.777 121 HE2 LYS 16 HE2 LYS 16 23.022 10.028 -16.990 122 HE3 LYS 16 HE3 LYS 16 21.739 9.518 -15.871 123 HZ1 LYS 16 HZ1 LYS 16 24.608 9.672 -15.222 124 HZ2 LYS 16 HZ2 LYS 16 23.455 10.734 -14.736 125 HZ3 LYS 16 HZ3 LYS 16 23.423 9.182 -14.195 126 H GLN 17 H GLN 17 22.433 5.800 -21.950 127 HA GLN 17 HA GLN 17 24.477 7.435 -23.344 128 HB2 GLN 17 HB2 GLN 17 23.929 4.455 -23.051 129 HB3 GLN 17 HB3 GLN 17 25.077 5.090 -24.220 130 HG2 GLN 17 HG2 GLN 17 26.186 6.366 -22.317 131 HG3 GLN 17 HG3 GLN 17 25.204 5.395 -21.204 132 HE21 GLN 17 HE22 GLN 17 25.225 2.886 -22.095 133 HE22 GLN 17 HE21 GLN 17 26.847 2.250 -22.273 134 H GLY 18 H GLY 18 21.276 6.117 -23.809 135 HA2 GLY 18 HA2 GLY 18 20.389 7.083 -26.073 136 HA3 GLY 18 HA3 GLY 18 21.722 6.046 -26.739 137 H LEU 19 H LEU 19 21.259 4.099 -24.556 138 HA LEU 19 HA LEU 19 19.414 2.578 -26.300 139 HB2 LEU 19 HB2 LEU 19 20.905 0.648 -25.447 140 HB3 LEU 19 HB3 LEU 19 21.310 1.651 -26.810 141 HG LEU 19 HG LEU 19 22.688 3.020 -24.864 142 HD11 LEU 19 HD11 LEU 19 22.708 0.116 -23.963 143 HD12 LEU 19 HD12 LEU 19 23.547 1.478 -23.197 144 HD13 LEU 19 HD13 LEU 19 21.769 1.386 -23.152 145 HD21 LEU 19 HD21 LEU 19 23.678 2.055 -26.897 146 HD22 LEU 19 HD22 LEU 19 24.662 1.701 -25.458 147 HD23 LEU 19 HD23 LEU 19 23.635 0.434 -26.155 148 H TYR 20 H TYR 20 17.995 3.726 -24.898 149 HA TYR 20 HA TYR 20 17.446 3.326 -22.241 150 HB2 TYR 20 HB2 TYR 20 15.476 3.354 -24.544 151 HB3 TYR 20 HB3 TYR 20 15.164 3.984 -22.937 152 HD1 TYR 20 HD1 TYR 20 17.343 5.629 -22.192 153 HD2 TYR 20 HD2 TYR 20 15.753 5.027 -26.143 154 HE1 TYR 20 HE1 TYR 20 18.297 7.811 -22.913 155 HE2 TYR 20 HE2 TYR 20 16.727 7.193 -26.873 156 HH TYR 20 HH TYR 20 18.569 9.295 -24.629 157 H ARG 21 H ARG 21 16.754 1.056 -24.977 158 HA ARG 21 HA ARG 21 15.060 -0.649 -23.357 159 HB2 ARG 21 HB2 ARG 21 15.427 -0.301 -26.017 160 HB3 ARG 21 HB3 ARG 21 16.597 -1.611 -25.767 161 HG2 ARG 21 HG2 ARG 21 13.619 -1.569 -25.373 162 HG3 ARG 21 HG3 ARG 21 14.625 -2.688 -26.332 163 HD2 ARG 21 HD2 ARG 21 15.547 -3.595 -24.174 164 HD3 ARG 21 HD3 ARG 21 14.397 -2.561 -23.299 165 HE ARG 21 HE ARG 21 12.591 -3.881 -24.054 166 HH11 ARG 21 HH11 ARG 21 15.701 -5.114 -25.211 167 HH12 ARG 21 HH12 ARG 21 15.047 -6.674 -25.657 168 HH21 ARG 21 HH21 ARG 21 11.775 -5.947 -24.626 169 HH22 ARG 21 HH22 ARG 21 12.846 -7.142 -25.320 170 H GLU 22 H GLU 22 18.494 -0.609 -24.369 171 HA GLU 22 HA GLU 22 19.151 -3.097 -23.125 172 HB2 GLU 22 HB2 GLU 22 20.883 -0.681 -23.762 173 HB3 GLU 22 HB3 GLU 22 21.487 -2.302 -23.348 174 HG2 GLU 22 HG2 GLU 22 20.266 -3.216 -25.316 175 HG3 GLU 22 HG3 GLU 22 19.773 -1.573 -25.766 176 H ALA 23 H ALA 23 18.204 -0.102 -21.837 177 HA ALA 23 HA ALA 23 19.650 -0.494 -19.316 178 HB1 ALA 23 HB1 ALA 23 19.180 1.761 -20.395 179 HB2 ALA 23 HB2 ALA 23 17.476 1.540 -19.968 180 HB3 ALA 23 HB3 ALA 23 18.692 1.596 -18.684 181 H VAL 24 H VAL 24 16.216 -0.511 -20.608 182 HA VAL 24 HA VAL 24 15.007 -1.165 -18.194 183 HB VAL 24 HB VAL 24 13.152 -1.041 -19.265 184 HG11 VAL 24 HG11 VAL 24 14.525 -0.150 -21.733 185 HG12 VAL 24 HG12 VAL 24 12.999 0.398 -21.008 186 HG13 VAL 24 HG13 VAL 24 14.541 0.767 -20.193 187 HG21 VAL 24 HG21 VAL 24 12.925 -3.126 -20.037 188 HG22 VAL 24 HG22 VAL 24 12.398 -1.998 -21.295 189 HG23 VAL 24 HG23 VAL 24 13.972 -2.850 -21.468 190 H HIS 25 H HIS 25 16.265 -3.101 -20.832 191 HA HIS 25 HA HIS 25 14.978 -5.475 -20.028 192 HB2 HIS 25 HB2 HIS 25 16.087 -6.555 -21.774 193 HB3 HIS 25 HB3 HIS 25 15.906 -4.884 -22.306 194 HD2 HIS 25 HD2 HIS 25 18.572 -3.846 -20.602 195 HE1 HIS 25 HE1 HIS 25 20.613 -6.364 -23.359 196 HE2 HIS 25 HE2 HIS 25 20.895 -4.500 -21.633 197 H CYS 26 H CYS 26 17.214 -3.870 -18.306 198 HA CYS 26 HA CYS 26 18.026 -6.346 -16.851 199 HB2 CYS 26 HB2 CYS 26 19.485 -3.679 -17.082 200 HB3 CYS 26 HB3 CYS 26 19.951 -5.015 -16.006 201 HG CYS 26 HG CYS 26 19.552 -5.119 -19.292 202 H TYR 27 H TYR 27 16.810 -3.016 -16.761 203 HA TYR 27 HA TYR 27 16.138 -2.682 -14.016 204 HB2 TYR 27 HB2 TYR 27 14.762 -2.011 -16.631 205 HB3 TYR 27 HB3 TYR 27 14.209 -1.330 -15.172 206 HD1 TYR 27 HD2 TYR 27 17.625 -1.206 -14.554 207 HD2 TYR 27 HD1 TYR 27 14.631 0.491 -17.141 208 HE1 TYR 27 HE2 TYR 27 18.991 0.841 -14.813 209 HE2 TYR 27 HE1 TYR 27 15.942 2.538 -17.364 210 HH TYR 27 HH TYR 27 17.900 3.637 -16.763 211 H ASP 28 H ASP 28 14.689 -4.638 -16.611 212 HA ASP 28 HA ASP 28 12.147 -5.013 -15.450 213 HB2 ASP 28 HB2 ASP 28 12.817 -5.470 -17.804 214 HB3 ASP 28 HB3 ASP 28 13.710 -6.899 -17.242 215 H GLN 29 H GLN 29 15.306 -6.568 -14.771 216 HA GLN 29 HA GLN 29 14.060 -8.684 -13.270 217 HB2 GLN 29 HB2 GLN 29 16.934 -7.688 -13.384 218 HB3 GLN 29 HB3 GLN 29 16.381 -9.071 -12.420 219 HG2 GLN 29 HG2 GLN 29 16.915 -10.253 -14.260 220 HG3 GLN 29 HG3 GLN 29 15.286 -9.812 -14.750 221 HE21 GLN 29 HE22 GLN 29 15.053 -8.764 -16.710 222 HE22 GLN 29 HE21 GLN 29 16.379 -8.041 -17.599 223 H LEU 30 H LEU 30 14.690 -5.334 -12.559 224 HA LEU 30 HA LEU 30 14.952 -5.551 -9.679 225 HB2 LEU 30 HB2 LEU 30 13.642 -3.389 -11.354 226 HB3 LEU 30 HB3 LEU 30 14.218 -3.209 -9.690 227 HG LEU 30 HG LEU 30 15.785 -3.577 -12.209 228 HD11 LEU 30 HD11 LEU 30 15.916 -1.493 -10.000 229 HD12 LEU 30 HD12 LEU 30 16.869 -1.492 -11.502 230 HD13 LEU 30 HD13 LEU 30 15.104 -1.282 -11.573 231 HD21 LEU 30 HD21 LEU 30 17.850 -3.606 -10.770 232 HD22 LEU 30 HD22 LEU 30 16.819 -3.722 -9.331 233 HD23 LEU 30 HD23 LEU 30 16.843 -5.045 -10.524 234 H ILE 31 H ILE 31 12.253 -5.525 -12.004 235 HA ILE 31 HA ILE 31 10.248 -5.487 -9.887 236 HB ILE 31 HB ILE 31 9.861 -6.244 -12.813 237 HG12 ILE 31 HG12 ILE 31 8.911 -3.645 -12.470 238 HG13 ILE 31 HG13 ILE 31 10.416 -3.609 -11.552 239 HG21 ILE 31 HG21 ILE 31 8.181 -5.065 -10.591 240 HG22 ILE 31 HG22 ILE 31 7.591 -5.425 -12.239 241 HG23 ILE 31 HG23 ILE 31 8.107 -6.770 -11.167 242 HD11 ILE 31 HD11 ILE 31 10.141 -4.579 -14.427 243 HD12 ILE 31 HD12 ILE 31 10.667 -2.952 -13.954 244 HD13 ILE 31 HD13 ILE 31 11.662 -4.366 -13.510 245 H THR 32 H THR 32 11.889 -7.992 -11.889 246 HA THR 32 HA THR 32 10.098 -10.028 -10.804 247 HB THR 32 HB THR 32 12.769 -10.040 -12.278 248 HG1 THR 32 HG1 THR 32 11.470 -10.724 -14.002 249 HG21 THR 32 HG21 THR 32 12.464 -12.440 -12.742 250 HG22 THR 32 HG22 THR 32 12.734 -12.110 -11.025 251 HG23 THR 32 HG23 THR 32 11.081 -12.472 -11.603 252 H ALA 33 H ALA 33 13.154 -8.561 -9.747 253 HA ALA 33 HA ALA 33 13.582 -10.701 -7.804 254 HB1 ALA 33 HB1 ALA 33 14.897 -7.954 -8.118 255 HB2 ALA 33 HB2 ALA 33 15.469 -9.257 -7.063 256 HB3 ALA 33 HB3 ALA 33 15.496 -9.479 -8.828 257 H GLN 34 H GLN 34 12.071 -7.529 -8.036 258 HA GLN 34 HA GLN 34 10.917 -7.852 -5.367 259 HB2 GLN 34 HB2 GLN 34 13.172 -6.378 -5.754 260 HB3 GLN 34 HB3 GLN 34 12.032 -5.165 -6.211 261 HG2 GLN 34 HG2 GLN 34 10.958 -5.337 -3.948 262 HG3 GLN 34 HG3 GLN 34 12.065 -6.674 -3.546 263 HE21 GLN 34 HE22 GLN 34 14.432 -5.934 -4.634 264 HE22 GLN 34 HE21 GLN 34 14.975 -4.328 -4.248 265 HA PRO 35 HA PRO 35 8.115 -6.621 -8.792 266 HB2 PRO 35 HB2 PRO 35 6.169 -8.528 -8.065 267 HB3 PRO 35 HB3 PRO 35 7.461 -8.684 -9.286 268 HG2 PRO 35 HG2 PRO 35 7.327 -10.015 -6.660 269 HG3 PRO 35 HG3 PRO 35 8.408 -10.334 -8.053 270 HD2 PRO 35 HD2 PRO 35 9.111 -8.980 -5.676 271 HD3 PRO 35 HD3 PRO 35 10.084 -9.318 -7.135 272 H GLN 36 H GLN 36 8.071 -6.816 -5.527 273 HA GLN 36 HA GLN 36 5.922 -4.785 -5.372 274 HB2 GLN 36 HB2 GLN 36 7.239 -6.183 -3.009 275 HB3 GLN 36 HB3 GLN 36 5.824 -5.120 -2.969 276 HG2 GLN 36 HG2 GLN 36 4.562 -6.967 -3.130 277 HG3 GLN 36 HG3 GLN 36 5.123 -7.100 -4.817 278 HE21 GLN 36 HE22 GLN 36 6.958 -8.456 -5.270 279 HE22 GLN 36 HE21 GLN 36 7.506 -9.691 -4.147 280 H ASN 37 H ASN 37 8.209 -3.955 -6.577 281 HA ASN 37 HA ASN 37 8.955 -1.768 -4.710 282 HB2 ASN 37 HB2 ASN 37 11.173 -2.376 -4.635 283 HB3 ASN 37 HB3 ASN 37 10.696 -3.866 -5.426 284 HD21 ASN 37 HD22 ASN 37 10.678 -3.979 -7.710 285 HD22 ASN 37 HD21 ASN 37 11.854 -3.043 -8.639 286 HA PRO 38 HA PRO 38 7.884 0.608 -8.138 287 HB2 PRO 38 HB2 PRO 38 8.347 3.000 -7.061 288 HB3 PRO 38 HB3 PRO 38 7.259 1.825 -6.275 289 HG2 PRO 38 HG2 PRO 38 10.155 2.427 -5.559 290 HG3 PRO 38 HG3 PRO 38 8.720 2.317 -4.475 291 HD2 PRO 38 HD2 PRO 38 10.515 0.253 -5.075 292 HD3 PRO 38 HD3 PRO 38 8.839 0.046 -4.460 293 H VAL 39 H VAL 39 11.335 1.505 -6.951 294 HA VAL 39 HA VAL 39 12.129 2.731 -9.237 295 HB VAL 39 HB VAL 39 14.033 2.582 -8.366 296 HG11 VAL 39 HG11 VAL 39 12.943 2.691 -6.334 297 HG12 VAL 39 HG12 VAL 39 12.933 0.900 -6.147 298 HG13 VAL 39 HG13 VAL 39 14.466 1.818 -6.171 299 HG21 VAL 39 HG21 VAL 39 15.379 0.516 -7.972 300 HG22 VAL 39 HG22 VAL 39 13.968 -0.403 -8.585 301 HG23 VAL 39 HG23 VAL 39 14.757 0.815 -9.609 302 H GLY 40 H GLY 40 11.498 -0.595 -8.758 303 HA2 GLY 40 HA2 GLY 40 12.561 -1.864 -11.119 304 HA3 GLY 40 HA3 GLY 40 11.131 -2.370 -10.304 305 H TYR 41 H TYR 41 9.288 -0.375 -10.688 306 HA TYR 41 HA TYR 41 8.730 -0.384 -13.507 307 HB2 TYR 41 HB2 TYR 41 7.622 1.071 -11.084 308 HB3 TYR 41 HB3 TYR 41 6.821 1.078 -12.633 309 HD1 TYR 41 HD1 TYR 41 5.949 -1.112 -13.582 310 HD2 TYR 41 HD2 TYR 41 7.402 -0.700 -9.570 311 HE1 TYR 41 HE1 TYR 41 4.842 -3.261 -12.976 312 HE2 TYR 41 HE2 TYR 41 6.314 -2.865 -8.944 313 HH TYR 41 HH TYR 41 4.464 -4.801 -11.322 314 H SER 42 H SER 42 10.461 1.775 -11.314 315 HA SER 42 HA SER 42 9.750 4.197 -12.725 316 HB2 SER 42 HB2 SER 42 11.999 3.827 -10.689 317 HB3 SER 42 HB3 SER 42 11.122 5.322 -11.137 318 HG SER 42 HG SER 42 9.922 3.026 -10.018 319 H ASN 43 H ASN 43 12.680 2.132 -12.602 320 HA ASN 43 HA ASN 43 14.274 3.852 -14.292 321 HB2 ASN 43 HB2 ASN 43 14.498 0.921 -13.507 322 HB3 ASN 43 HB3 ASN 43 15.700 1.850 -14.424 323 HD21 ASN 43 HD22 ASN 43 17.361 1.781 -12.946 324 HD22 ASN 43 HD21 ASN 43 17.282 2.595 -11.394 325 H LYS 44 H LYS 44 12.437 0.794 -14.738 326 HA LYS 44 HA LYS 44 12.692 0.422 -17.558 327 HB2 LYS 44 HB2 LYS 44 11.926 -1.235 -15.957 328 HB3 LYS 44 HB3 LYS 44 10.473 -0.271 -15.616 329 HG2 LYS 44 HG2 LYS 44 9.693 -0.557 -17.923 330 HG3 LYS 44 HG3 LYS 44 11.196 -1.407 -18.350 331 HD2 LYS 44 HD2 LYS 44 10.668 -3.178 -16.712 332 HD3 LYS 44 HD3 LYS 44 9.160 -2.343 -16.281 333 HE2 LYS 44 HE2 LYS 44 8.362 -2.572 -18.607 334 HE3 LYS 44 HE3 LYS 44 9.880 -3.375 -19.056 335 HZ1 LYS 44 HZ1 LYS 44 8.139 -4.958 -18.613 336 HZ2 LYS 44 HZ2 LYS 44 9.355 -5.130 -17.529 337 HZ3 LYS 44 HZ3 LYS 44 7.952 -4.391 -17.080 338 H ALA 45 H ALA 45 10.517 2.513 -15.618 339 HA ALA 45 HA ALA 45 8.774 3.057 -17.885 340 HB1 ALA 45 HB1 ALA 45 9.064 4.429 -15.181 341 HB2 ALA 45 HB2 ALA 45 7.792 4.774 -16.377 342 HB3 ALA 45 HB3 ALA 45 7.882 3.177 -15.619 343 H MET 46 H MET 46 11.391 4.943 -16.184 344 HA MET 46 HA MET 46 10.972 7.269 -17.735 345 HB2 MET 46 HB2 MET 46 12.312 7.109 -15.627 346 HB3 MET 46 HB3 MET 46 13.575 6.256 -16.530 347 HG2 MET 46 HG2 MET 46 14.244 8.514 -16.368 348 HG3 MET 46 HG3 MET 46 13.756 8.264 -18.042 349 HE1 MET 46 HE1 MET 46 10.935 10.728 -18.613 350 HE2 MET 46 HE2 MET 46 12.071 9.521 -19.270 351 HE3 MET 46 HE3 MET 46 10.610 9.003 -18.397 352 H ALA 47 H ALA 47 12.625 4.246 -18.454 353 HA ALA 47 HA ALA 47 14.004 5.241 -20.806 354 HB1 ALA 47 HB1 ALA 47 14.818 3.314 -19.544 355 HB2 ALA 47 HB2 ALA 47 13.287 2.455 -19.832 356 HB3 ALA 47 HB3 ALA 47 14.379 2.808 -21.194 357 H LEU 48 H LEU 48 10.836 3.617 -20.154 358 HA LEU 48 HA LEU 48 10.176 3.200 -22.913 359 HB2 LEU 48 HB2 LEU 48 8.489 3.582 -20.413 360 HB3 LEU 48 HB3 LEU 48 7.790 3.228 -22.002 361 HG LEU 48 HG LEU 48 9.849 1.465 -20.628 362 HD11 LEU 48 HD11 LEU 48 7.902 -0.010 -20.140 363 HD12 LEU 48 HD12 LEU 48 7.795 1.556 -19.299 364 HD13 LEU 48 HD13 LEU 48 6.811 1.262 -20.747 365 HD21 LEU 48 HD21 LEU 48 9.248 -0.203 -22.239 366 HD22 LEU 48 HD22 LEU 48 7.943 0.803 -22.896 367 HD23 LEU 48 HD23 LEU 48 9.644 1.277 -23.142 368 H ILE 49 H ILE 49 10.157 6.113 -20.902 369 HA ILE 49 HA ILE 49 8.505 7.627 -22.771 370 HB ILE 49 HB ILE 49 10.374 8.234 -20.456 371 HG12 ILE 49 HG12 ILE 49 8.326 9.558 -19.727 372 HG13 ILE 49 HG13 ILE 49 7.454 8.836 -21.089 373 HG21 ILE 49 HG21 ILE 49 9.262 10.321 -22.364 374 HG22 ILE 49 HG22 ILE 49 10.043 10.655 -20.810 375 HG23 ILE 49 HG23 ILE 49 10.988 9.919 -22.114 376 HD11 ILE 49 HD11 ILE 49 8.724 7.352 -18.776 377 HD12 ILE 49 HD12 ILE 49 6.992 7.584 -19.091 378 HD13 ILE 49 HD13 ILE 49 7.952 6.577 -20.197 379 H LYS 50 H LYS 50 12.046 7.341 -22.158 380 HA LYS 50 HA LYS 50 12.824 8.881 -24.394 381 HB2 LYS 50 HB2 LYS 50 13.972 7.355 -22.225 382 HB3 LYS 50 HB3 LYS 50 14.783 6.932 -23.740 383 HG2 LYS 50 HG2 LYS 50 15.905 8.852 -22.759 384 HG3 LYS 50 HG3 LYS 50 15.069 9.349 -24.245 385 HD2 LYS 50 HD2 LYS 50 14.670 11.035 -22.591 386 HD3 LYS 50 HD3 LYS 50 13.144 10.157 -22.770 387 HE2 LYS 50 HE2 LYS 50 13.518 8.954 -20.724 388 HE3 LYS 50 HE3 LYS 50 15.224 9.426 -20.688 389 HZ1 LYS 50 HZ1 LYS 50 12.959 11.302 -20.399 390 HZ2 LYS 50 HZ2 LYS 50 13.900 10.749 -19.163 391 HZ3 LYS 50 HZ3 LYS 50 14.539 11.703 -20.333 392 H LEU 51 H LEU 51 11.335 5.763 -24.355 393 HA LEU 51 HA LEU 51 12.378 5.138 -27.059 394 HB2 LEU 51 HB2 LEU 51 10.767 3.618 -24.973 395 HB3 LEU 51 HB3 LEU 51 11.064 3.012 -26.608 396 HG LEU 51 HG LEU 51 13.305 3.720 -24.667 397 HD11 LEU 51 HD11 LEU 51 13.462 1.272 -24.302 398 HD12 LEU 51 HD12 LEU 51 11.892 1.905 -23.753 399 HD13 LEU 51 HD13 LEU 51 12.005 1.037 -25.301 400 HD21 LEU 51 HD21 LEU 51 13.241 2.059 -27.220 401 HD22 LEU 51 HD22 LEU 51 13.994 3.665 -27.031 402 HD23 LEU 51 HD23 LEU 51 14.635 2.262 -26.141 403 H GLY 52 H GLY 52 9.726 6.367 -25.188 404 HA2 GLY 52 HA2 GLY 52 7.923 7.555 -25.797 405 HA3 GLY 52 HA3 GLY 52 8.168 7.214 -27.500 406 H GLU 53 H GLU 53 8.234 4.500 -25.342 407 HA GLU 53 HA GLU 53 5.501 3.624 -26.080 408 HB2 GLU 53 HB2 GLU 53 7.511 2.176 -24.305 409 HB3 GLU 53 HB3 GLU 53 6.237 1.459 -25.327 410 HG2 GLU 53 HG2 GLU 53 7.659 2.459 -27.304 411 HG3 GLU 53 HG3 GLU 53 8.938 2.596 -26.101 412 H TYR 54 H TYR 54 5.800 5.888 -24.652 413 HA TYR 54 HA TYR 54 5.194 6.138 -22.072 414 HB2 TYR 54 HB2 TYR 54 3.516 6.758 -24.456 415 HB3 TYR 54 HB3 TYR 54 3.252 7.567 -23.001 416 HD1 TYR 54 HD2 TYR 54 6.371 8.145 -22.558 417 HD2 TYR 54 HD1 TYR 54 3.799 8.312 -25.975 418 HE1 TYR 54 HE2 TYR 54 7.952 9.733 -23.669 419 HE2 TYR 54 HE1 TYR 54 5.460 9.751 -27.178 420 HH TYR 54 HH TYR 54 7.417 10.919 -27.003 421 H THR 55 H THR 55 2.961 4.536 -24.511 422 HA THR 55 HA THR 55 0.659 4.431 -22.920 423 HB THR 55 HB THR 55 1.551 2.151 -24.696 424 HG1 THR 55 HG1 THR 55 0.581 3.346 -26.358 425 HG21 THR 55 HG21 THR 55 -1.136 3.382 -23.936 426 HG22 THR 55 HG22 THR 55 -0.909 1.954 -24.982 427 HG23 THR 55 HG23 THR 55 -0.477 1.887 -23.254 428 H GLN 56 H GLN 56 3.487 2.456 -22.993 429 HA GLN 56 HA GLN 56 2.599 0.503 -20.981 430 HB2 GLN 56 HB2 GLN 56 5.367 1.045 -22.123 431 HB3 GLN 56 HB3 GLN 56 4.842 -0.414 -21.262 432 HG2 GLN 56 HG2 GLN 56 3.878 0.599 -23.982 433 HG3 GLN 56 HG3 GLN 56 4.924 -0.783 -23.705 434 HE21 GLN 56 HE22 GLN 56 1.670 0.512 -23.452 435 HE22 GLN 56 HE21 GLN 56 0.841 -1.022 -23.218 436 H ALA 57 H ALA 57 4.817 3.283 -21.172 437 HA ALA 57 HA ALA 57 5.901 3.164 -18.585 438 HB1 ALA 57 HB1 ALA 57 6.579 4.622 -20.577 439 HB2 ALA 57 HB2 ALA 57 5.193 5.650 -20.201 440 HB3 ALA 57 HB3 ALA 57 6.505 5.469 -19.006 441 H ILE 58 H ILE 58 2.859 4.689 -19.713 442 HA ILE 58 HA ILE 58 2.199 6.142 -17.367 443 HB ILE 58 HB ILE 58 0.461 4.712 -19.400 444 HG12 ILE 58 HG12 ILE 58 1.003 7.694 -19.356 445 HG13 ILE 58 HG13 ILE 58 2.198 6.612 -20.063 446 HG21 ILE 58 HG21 ILE 58 -0.270 6.986 -17.512 447 HG22 ILE 58 HG22 ILE 58 -1.294 6.352 -18.803 448 HG23 ILE 58 HG23 ILE 58 -0.879 5.308 -17.424 449 HD11 ILE 58 HD11 ILE 58 0.712 7.293 -21.862 450 HD12 ILE 58 HD12 ILE 58 0.405 5.589 -21.486 451 HD13 ILE 58 HD13 ILE 58 -0.728 6.819 -20.926 452 H GLN 59 H GLN 59 1.666 2.705 -18.330 453 HA GLN 59 HA GLN 59 0.123 1.984 -16.060 454 HB2 GLN 59 HB2 GLN 59 1.987 0.045 -17.401 455 HB3 GLN 59 HB3 GLN 59 0.299 -0.146 -16.897 456 HG2 GLN 59 HG2 GLN 59 -0.251 1.536 -18.816 457 HG3 GLN 59 HG3 GLN 59 1.397 1.255 -19.331 458 HE21 GLN 59 HE22 GLN 59 -0.727 0.650 -21.006 459 HE22 GLN 59 HE21 GLN 59 -0.865 -1.091 -21.184 460 H MET 60 H MET 60 3.577 1.816 -16.843 461 HA MET 60 HA MET 60 4.501 0.463 -14.511 462 HB2 MET 60 HB2 MET 60 5.933 2.578 -16.144 463 HB3 MET 60 HB3 MET 60 6.685 1.478 -14.975 464 HG2 MET 60 HG2 MET 60 5.419 0.740 -17.633 465 HG3 MET 60 HG3 MET 60 7.128 0.741 -17.205 466 HE1 MET 60 HE1 MET 60 4.031 -2.503 -16.613 467 HE2 MET 60 HE2 MET 60 3.668 -0.885 -15.963 468 HE3 MET 60 HE3 MET 60 4.038 -1.079 -17.687 469 H CYS 61 H CYS 61 4.079 4.006 -15.109 470 HA CYS 61 HA CYS 61 5.338 4.778 -12.696 471 HB2 CYS 61 HB2 CYS 61 3.234 6.231 -14.327 472 HB3 CYS 61 HB3 CYS 61 4.276 6.942 -13.082 473 HG CYS 61 HG CYS 61 5.151 7.570 -15.471 474 H GLN 62 H GLN 62 1.749 4.666 -13.427 475 HA GLN 62 HA GLN 62 1.043 4.999 -10.694 476 HB2 GLN 62 HB2 GLN 62 -1.178 4.025 -11.406 477 HB3 GLN 62 HB3 GLN 62 -0.618 5.504 -12.214 478 HG2 GLN 62 HG2 GLN 62 -0.553 4.539 -14.227 479 HG3 GLN 62 HG3 GLN 62 0.246 3.070 -13.608 480 HE21 GLN 62 HE22 GLN 62 -1.117 1.496 -12.438 481 HE22 GLN 62 HE21 GLN 62 -2.779 1.293 -12.960 482 H GLN 63 H GLN 63 2.011 1.975 -12.353 483 HA GLN 63 HA GLN 63 1.214 0.229 -10.169 484 HB2 GLN 63 HB2 GLN 63 3.026 0.153 -12.557 485 HB3 GLN 63 HB3 GLN 63 3.548 -0.799 -11.170 486 HG2 GLN 63 HG2 GLN 63 2.271 -2.214 -12.598 487 HG3 GLN 63 HG3 GLN 63 1.320 -1.933 -11.125 488 HE21 GLN 63 HE22 GLN 63 -0.635 -0.693 -11.293 489 HE22 GLN 63 HE21 GLN 63 -1.370 -0.429 -12.869 490 H GLY 64 H GLY 64 4.261 2.127 -10.803 491 HA2 GLY 64 HA2 GLY 64 5.711 1.258 -8.619 492 HA3 GLY 64 HA3 GLY 64 5.724 2.909 -9.260 493 H LEU 65 H LEU 65 2.928 3.529 -8.610 494 HA LEU 65 HA LEU 65 3.261 4.515 -5.957 495 HB2 LEU 65 HB2 LEU 65 0.841 4.220 -7.773 496 HB3 LEU 65 HB3 LEU 65 0.782 5.055 -6.214 497 HG LEU 65 HG LEU 65 2.729 5.837 -8.415 498 HD11 LEU 65 HD11 LEU 65 0.104 7.179 -7.726 499 HD12 LEU 65 HD12 LEU 65 1.203 7.503 -9.098 500 HD13 LEU 65 HD13 LEU 65 0.271 5.997 -9.049 501 HD21 LEU 65 HD21 LEU 65 2.538 8.034 -7.017 502 HD22 LEU 65 HD22 LEU 65 1.749 7.055 -5.788 503 HD23 LEU 65 HD23 LEU 65 3.430 6.688 -6.260 504 H ARG 66 H ARG 66 2.512 1.317 -6.897 505 HA ARG 66 HA ARG 66 0.605 0.706 -4.762 506 HB2 ARG 66 HB2 ARG 66 2.248 -0.853 -6.813 507 HB3 ARG 66 HB3 ARG 66 1.029 -1.617 -5.816 508 HG2 ARG 66 HG2 ARG 66 -0.692 -0.071 -6.746 509 HG3 ARG 66 HG3 ARG 66 0.538 0.650 -7.799 510 HD2 ARG 66 HD2 ARG 66 -0.611 -1.025 -9.085 511 HD3 ARG 66 HD3 ARG 66 1.037 -1.583 -8.761 512 HE ARG 66 HE ARG 66 0.220 -3.341 -7.502 513 HH11 ARG 66 HH11 ARG 66 -2.406 -1.025 -8.034 514 HH12 ARG 66 HH12 ARG 66 -3.633 -2.099 -7.402 515 HH21 ARG 66 HH21 ARG 66 -1.394 -4.696 -6.656 516 HH22 ARG 66 HH22 ARG 66 -3.057 -4.159 -6.598 517 H TYR 67 H TYR 67 3.922 1.018 -5.317 518 HA TYR 67 HA TYR 67 4.739 -0.765 -3.084 519 HB2 TYR 67 HB2 TYR 67 6.166 0.203 -5.577 520 HB3 TYR 67 HB3 TYR 67 6.784 -1.017 -4.474 521 HD1 TYR 67 HD1 TYR 67 4.886 -3.003 -4.051 522 HD2 TYR 67 HD2 TYR 67 5.088 -0.414 -7.465 523 HE1 TYR 67 HE1 TYR 67 3.612 -4.658 -5.366 524 HE2 TYR 67 HE2 TYR 67 3.697 -1.972 -8.757 525 HH TYR 67 HH TYR 67 2.582 -5.118 -7.378 526 H THR 68 H THR 68 4.541 2.574 -3.879 527 HA THR 68 HA THR 68 6.994 3.315 -2.456 528 HB THR 68 HB THR 68 6.130 5.651 -2.842 529 HG1 THR 68 HG1 THR 68 3.930 5.187 -3.009 530 HG21 THR 68 HG21 THR 68 7.709 4.603 -4.397 531 HG22 THR 68 HG22 THR 68 6.377 3.794 -5.243 532 HG23 THR 68 HG23 THR 68 6.519 5.567 -5.290 533 H SER 69 H SER 69 4.746 1.814 -1.090 534 HA SER 69 HA SER 69 3.369 3.488 0.728 535 HB2 SER 69 HB2 SER 69 4.218 0.573 0.884 536 HB3 SER 69 HB3 SER 69 3.076 1.373 1.989 537 HG SER 69 HG SER 69 2.012 0.322 0.252 538 H THR 70 H THR 70 6.626 3.336 0.588 539 HA THR 70 HA THR 70 6.940 3.778 3.514 540 HB THR 70 HB THR 70 7.591 1.492 3.199 541 HG1 THR 70 HG1 THR 70 9.774 1.673 3.765 542 HG21 THR 70 HG21 THR 70 7.918 1.404 0.794 543 HG22 THR 70 HG22 THR 70 9.297 2.519 0.885 544 HG23 THR 70 HG23 THR 70 9.417 0.883 1.581 545 H ALA 71 H ALA 71 8.880 4.962 4.086 546 HA ALA 71 HA ALA 71 9.150 7.231 2.323 547 HB1 ALA 71 HB1 ALA 71 8.944 7.429 4.768 548 HB2 ALA 71 HB2 ALA 71 10.498 6.590 4.964 549 HB3 ALA 71 HB3 ALA 71 10.433 8.186 4.164 550 H GLU 72 H GLU 72 10.969 4.275 2.439 551 HA GLU 72 HA GLU 72 13.433 5.499 1.481 552 HB2 GLU 72 HB2 GLU 72 13.995 3.171 0.842 553 HB3 GLU 72 HB3 GLU 72 13.494 3.308 2.539 554 HG2 GLU 72 HG2 GLU 72 11.191 2.585 1.859 555 HG3 GLU 72 HG3 GLU 72 11.801 2.322 0.217 556 H HIS 73 H HIS 73 10.315 5.001 0.213 557 HA HIS 73 HA HIS 73 11.333 4.929 -2.583 558 HB2 HIS 73 HB2 HIS 73 8.850 3.734 -1.325 559 HB3 HIS 73 HB3 HIS 73 9.084 3.900 -3.074 560 HD2 HIS 73 HD2 HIS 73 12.420 3.103 -2.154 561 HE1 HIS 73 HE1 HIS 73 10.623 -0.743 -2.339 562 HE2 HIS 73 HE2 HIS 73 12.839 0.519 -2.306 563 H VAL 74 H VAL 74 10.117 7.051 -0.360 564 HA VAL 74 HA VAL 74 8.021 8.388 -1.706 565 HB VAL 74 HB VAL 74 8.748 8.840 0.601 566 HG11 VAL 74 HG11 VAL 74 11.239 8.684 0.152 567 HG12 VAL 74 HG12 VAL 74 11.139 10.277 -0.621 568 HG13 VAL 74 HG13 VAL 74 10.751 10.102 1.104 569 HG21 VAL 74 HG21 VAL 74 8.607 11.290 0.502 570 HG22 VAL 74 HG22 VAL 74 9.087 11.253 -1.216 571 HG23 VAL 74 HG23 VAL 74 7.518 10.568 -0.718 572 H ALA 75 H ALA 75 11.458 8.291 -2.241 573 HA ALA 75 HA ALA 75 11.947 10.514 -3.889 574 HB1 ALA 75 HB1 ALA 75 12.965 7.648 -4.170 575 HB2 ALA 75 HB2 ALA 75 13.770 9.120 -4.766 576 HB3 ALA 75 HB3 ALA 75 13.605 8.845 -3.007 577 H ILE 76 H ILE 76 10.648 7.318 -4.574 578 HA ILE 76 HA ILE 76 10.622 7.610 -7.464 579 HB ILE 76 HB ILE 76 9.662 5.541 -5.457 580 HG12 ILE 76 HG12 ILE 76 12.221 6.242 -5.963 581 HG13 ILE 76 HG13 ILE 76 11.723 4.654 -5.582 582 HG21 ILE 76 HG21 ILE 76 9.620 5.640 -8.464 583 HG22 ILE 76 HG22 ILE 76 9.785 4.087 -7.602 584 HG23 ILE 76 HG23 ILE 76 8.354 5.104 -7.322 585 HD11 ILE 76 HD11 ILE 76 11.718 4.215 -8.116 586 HD12 ILE 76 HD12 ILE 76 12.003 5.957 -8.356 587 HD13 ILE 76 HD13 ILE 76 13.265 4.941 -7.601 588 H ARG 77 H ARG 77 8.429 7.725 -4.739 589 HA ARG 77 HA ARG 77 5.935 7.781 -6.132 590 HB2 ARG 77 HB2 ARG 77 6.201 7.456 -3.697 591 HB3 ARG 77 HB3 ARG 77 6.697 9.141 -3.511 592 HG2 ARG 77 HG2 ARG 77 4.138 8.754 -4.976 593 HG3 ARG 77 HG3 ARG 77 4.118 8.212 -3.283 594 HD2 ARG 77 HD2 ARG 77 5.048 10.391 -2.562 595 HD3 ARG 77 HD3 ARG 77 4.961 10.985 -4.226 596 HE ARG 77 HE ARG 77 2.781 10.692 -2.317 597 HH11 ARG 77 HH11 ARG 77 3.579 10.817 -5.761 598 HH12 ARG 77 HH12 ARG 77 1.973 11.328 -6.231 599 HH21 ARG 77 HH21 ARG 77 0.702 11.352 -2.961 600 HH22 ARG 77 HH22 ARG 77 0.346 11.622 -4.653 601 H SER 78 H SER 78 8.498 10.021 -6.017 602 HA SER 78 HA SER 78 6.885 12.357 -6.862 603 HB2 SER 78 HB2 SER 78 8.906 12.358 -5.224 604 HB3 SER 78 HB3 SER 78 9.891 11.942 -6.618 605 HG SER 78 HG SER 78 9.808 14.219 -6.244 606 H LYS 79 H LYS 79 8.571 9.655 -8.262 607 HA LYS 79 HA LYS 79 9.061 11.115 -10.799 608 HB2 LYS 79 HB2 LYS 79 9.894 8.347 -9.840 609 HB3 LYS 79 HB3 LYS 79 10.398 9.128 -11.359 610 HG2 LYS 79 HG2 LYS 79 11.502 10.920 -10.157 611 HG3 LYS 79 HG3 LYS 79 10.930 10.287 -8.601 612 HD2 LYS 79 HD2 LYS 79 12.266 8.256 -8.882 613 HD3 LYS 79 HD3 LYS 79 12.784 8.793 -10.499 614 HE2 LYS 79 HE2 LYS 79 13.760 10.822 -9.517 615 HE3 LYS 79 HE3 LYS 79 13.271 10.303 -7.891 616 HZ1 LYS 79 HZ1 LYS 79 15.554 9.757 -8.291 617 HZ2 LYS 79 HZ2 LYS 79 14.690 8.367 -8.177 618 HZ3 LYS 79 HZ3 LYS 79 15.172 8.907 -9.644 619 H LEU 80 H LEU 80 7.193 8.445 -9.370 620 HA LEU 80 HA LEU 80 6.051 7.397 -11.776 621 HB2 LEU 80 HB2 LEU 80 5.278 7.528 -8.858 622 HB3 LEU 80 HB3 LEU 80 4.236 6.728 -10.027 623 HG LEU 80 HG LEU 80 5.570 4.895 -10.226 624 HD11 LEU 80 HD11 LEU 80 8.093 6.431 -9.759 625 HD12 LEU 80 HD12 LEU 80 7.876 4.683 -10.113 626 HD13 LEU 80 HD13 LEU 80 7.406 5.873 -11.324 627 HD21 LEU 80 HD21 LEU 80 6.554 6.081 -7.606 628 HD22 LEU 80 HD22 LEU 80 5.031 5.217 -7.839 629 HD23 LEU 80 HD23 LEU 80 6.578 4.354 -8.053 630 H GLN 81 H GLN 81 5.707 10.463 -10.431 631 HA GLN 81 HA GLN 81 2.983 10.930 -11.457 632 HB2 GLN 81 HB2 GLN 81 4.954 11.832 -9.402 633 HB3 GLN 81 HB3 GLN 81 3.953 13.141 -10.014 634 HG2 GLN 81 HG2 GLN 81 3.207 11.950 -7.957 635 HG3 GLN 81 HG3 GLN 81 1.990 12.131 -9.285 636 HE21 GLN 81 HE22 GLN 81 4.462 9.823 -8.048 637 HE22 GLN 81 HE21 GLN 81 3.540 8.387 -8.440 638 H TYR 82 H TYR 82 6.331 11.465 -12.230 639 HA TYR 82 HA TYR 82 5.749 13.949 -13.756 640 HB2 TYR 82 HB2 TYR 82 7.734 14.189 -12.602 641 HB3 TYR 82 HB3 TYR 82 8.166 12.487 -12.778 642 HD1 TYR 82 HD2 TYR 82 9.189 11.604 -14.734 643 HD2 TYR 82 HD1 TYR 82 8.231 15.781 -14.477 644 HE1 TYR 82 HE2 TYR 82 10.846 12.071 -16.518 645 HE2 TYR 82 HE1 TYR 82 9.807 16.259 -16.341 646 HH TYR 82 HH TYR 82 11.355 15.399 -17.789 647 H ARG 83 H ARG 83 6.872 10.547 -14.396 648 HA ARG 83 HA ARG 83 6.874 11.211 -17.283 649 HB2 ARG 83 HB2 ARG 83 6.909 8.422 -16.191 650 HB3 ARG 83 HB3 ARG 83 7.480 9.034 -17.749 651 HG2 ARG 83 HG2 ARG 83 9.421 8.507 -16.638 652 HG3 ARG 83 HG3 ARG 83 9.314 10.252 -16.364 653 HD2 ARG 83 HD2 ARG 83 8.487 9.873 -14.105 654 HD3 ARG 83 HD3 ARG 83 8.235 8.147 -14.425 655 HE ARG 83 HE ARG 83 10.967 9.357 -14.594 656 HH11 ARG 83 HH11 ARG 83 8.757 7.064 -13.089 657 HH12 ARG 83 HH12 ARG 83 10.021 6.236 -12.208 658 HH21 ARG 83 HH21 ARG 83 12.600 8.268 -13.491 659 HH22 ARG 83 HH22 ARG 83 12.222 6.917 -12.452 660 H LEU 84 H LEU 84 4.799 10.092 -14.804 661 HA LEU 84 HA LEU 84 2.761 8.832 -16.382 662 HB2 LEU 84 HB2 LEU 84 3.138 8.487 -13.988 663 HB3 LEU 84 HB3 LEU 84 2.866 10.155 -13.633 664 HG LEU 84 HG LEU 84 0.496 9.984 -14.320 665 HD11 LEU 84 HD11 LEU 84 0.748 8.261 -16.095 666 HD12 LEU 84 HD12 LEU 84 1.166 7.053 -14.873 667 HD13 LEU 84 HD13 LEU 84 -0.461 7.760 -14.902 668 HD21 LEU 84 HD21 LEU 84 1.275 9.467 -12.011 669 HD22 LEU 84 HD22 LEU 84 -0.231 8.613 -12.455 670 HD23 LEU 84 HD23 LEU 84 1.336 7.755 -12.432 671 H GLU 85 H GLU 85 3.781 12.089 -15.946 672 HA GLU 85 HA GLU 85 1.131 13.080 -16.885 673 HB2 GLU 85 HB2 GLU 85 1.462 15.029 -15.801 674 HB3 GLU 85 HB3 GLU 85 2.320 13.892 -14.714 675 HG2 GLU 85 HG2 GLU 85 4.460 14.600 -15.625 676 HG3 GLU 85 HG3 GLU 85 3.640 15.599 -16.840 677 H LEU 86 H LEU 86 4.151 12.253 -18.057 678 HA LEU 86 HA LEU 86 3.891 14.264 -20.230 679 HB2 LEU 86 HB2 LEU 86 6.188 14.250 -20.498 680 HB3 LEU 86 HB3 LEU 86 6.002 14.038 -18.752 681 HG LEU 86 HG LEU 86 6.124 11.453 -19.392 682 HD11 LEU 86 HD11 LEU 86 7.715 12.788 -21.643 683 HD12 LEU 86 HD12 LEU 86 7.555 11.044 -21.353 684 HD13 LEU 86 HD13 LEU 86 6.168 11.990 -21.910 685 HD21 LEU 86 HD21 LEU 86 7.767 12.875 -18.019 686 HD22 LEU 86 HD22 LEU 86 8.356 11.402 -18.757 687 HD23 LEU 86 HD23 LEU 86 8.729 12.989 -19.509 688 H ALA 87 H ALA 87 4.343 10.751 -19.574 689 HA ALA 87 HA ALA 87 4.613 9.814 -22.151 690 HB1 ALA 87 HB1 ALA 87 3.341 8.626 -19.636 691 HB2 ALA 87 HB2 ALA 87 3.860 7.677 -21.039 692 HB3 ALA 87 HB3 ALA 87 5.059 8.565 -20.083 693 H GLN 88 H GLN 88 1.587 9.738 -20.113 694 HA GLN 88 HA GLN 88 -0.095 9.060 -22.285 695 HB2 GLN 88 HB2 GLN 88 -1.930 9.804 -20.914 696 HB3 GLN 88 HB3 GLN 88 -0.860 8.645 -20.083 697 HG2 GLN 88 HG2 GLN 88 0.190 10.471 -18.842 698 HG3 GLN 88 HG3 GLN 88 -0.916 11.641 -19.594 699 HE21 GLN 88 HE22 GLN 88 -0.456 9.765 -16.867 700 HE22 GLN 88 HE21 GLN 88 -2.115 9.540 -16.352 701 H GLY 89 H GLY 89 1.299 12.083 -21.404 702 HA2 GLY 89 HA2 GLY 89 -0.653 13.713 -22.877 703 HA3 GLY 89 HA3 GLY 89 0.834 14.259 -22.067 704 H ALA 90 H ALA 90 1.537 11.521 -23.832 705 HA ALA 90 HA ALA 90 2.113 12.906 -26.394 706 HB1 ALA 90 HB1 ALA 90 3.955 11.066 -24.836 707 HB2 ALA 90 HB2 ALA 90 4.273 11.761 -26.446 708 HB3 ALA 90 HB3 ALA 90 4.153 12.824 -25.025 709 H VAL 91 H VAL 91 0.341 10.578 -24.892 710 HA VAL 91 HA VAL 91 0.767 8.422 -26.907 711 HB VAL 91 HB VAL 91 -0.225 8.525 -24.098 712 HG11 VAL 91 HG11 VAL 91 -0.211 6.089 -25.976 713 HG12 VAL 91 HG12 VAL 91 -0.033 5.982 -24.238 714 HG13 VAL 91 HG13 VAL 91 -1.576 6.602 -24.921 715 HG21 VAL 91 HG21 VAL 91 2.139 8.507 -24.765 716 HG22 VAL 91 HG22 VAL 91 1.581 7.075 -23.829 717 HG23 VAL 91 HG23 VAL 91 1.823 6.971 -25.616 718 H GLY 92 H GLY 92 -0.991 7.345 -27.793 719 HA2 GLY 92 HA2 GLY 92 -3.053 7.085 -28.685 720 HA3 GLY 92 HA3 GLY 92 -3.685 8.260 -27.497 721 H SER 93 H SER 93 -1.090 9.717 -29.014 722 HA SER 93 HA SER 93 -2.763 11.509 -30.526 723 HB2 SER 93 HB2 SER 93 0.276 11.258 -30.365 724 HB3 SER 93 HB3 SER 93 -0.621 12.664 -30.993 725 HG SER 93 HG SER 93 0.004 12.938 -28.809 726 H VAL 94 H VAL 94 -2.428 8.613 -31.382 727 HA VAL 94 HA VAL 94 -2.188 9.259 -34.267 728 HB VAL 94 HB VAL 94 -0.830 6.860 -32.972 729 HG11 VAL 94 HG11 VAL 94 -1.069 7.834 -35.853 730 HG12 VAL 94 HG12 VAL 94 -0.093 6.441 -35.319 731 HG13 VAL 94 HG13 VAL 94 -1.866 6.405 -35.175 732 HG21 VAL 94 HG21 VAL 94 0.475 8.919 -32.625 733 HG22 VAL 94 HG22 VAL 94 1.249 7.897 -33.853 734 HG23 VAL 94 HG23 VAL 94 0.311 9.329 -34.350 735 H GLN 95 H GLN 95 -4.246 9.067 -34.761 736 HA GLN 95 HA GLN 95 -5.900 6.891 -33.745 737 HB2 GLN 95 HB2 GLN 95 -6.410 9.143 -35.745 738 HB3 GLN 95 HB3 GLN 95 -7.608 8.038 -35.068 739 HG2 GLN 95 HG2 GLN 95 -7.829 9.964 -33.717 740 HG3 GLN 95 HG3 GLN 95 -6.818 8.883 -32.747 741 HE21 GLN 95 HE22 GLN 95 -5.221 10.044 -31.708 742 HE22 GLN 95 HE21 GLN 95 -4.364 11.398 -32.413 743 H ILE 96 H ILE 96 -3.537 6.910 -36.029 744 HA ILE 96 HA ILE 96 -4.902 4.852 -37.644 745 HB ILE 96 HB ILE 96 -5.266 6.993 -38.754 746 HG12 ILE 96 HG12 ILE 96 -3.367 5.208 -40.325 747 HG13 ILE 96 HG13 ILE 96 -5.076 4.866 -40.011 748 HG21 ILE 96 HG21 ILE 96 -3.200 8.155 -37.985 749 HG22 ILE 96 HG22 ILE 96 -2.253 7.185 -39.136 750 HG23 ILE 96 HG23 ILE 96 -3.497 8.310 -39.717 751 HD11 ILE 96 HD11 ILE 96 -5.698 6.976 -41.170 752 HD12 ILE 96 HD12 ILE 96 -3.977 7.266 -41.534 753 HD13 ILE 96 HD13 ILE 96 -4.801 5.859 -42.224 754 HA PRO 97 HA PRO 97 -0.402 4.031 -36.510 755 HB2 PRO 97 HB2 PRO 97 -0.686 2.136 -34.576 756 HB3 PRO 97 HB3 PRO 97 -0.828 3.885 -34.203 757 HG2 PRO 97 HG2 PRO 97 -3.067 1.912 -34.736 758 HG3 PRO 97 HG3 PRO 97 -2.916 3.071 -33.369 759 HD2 PRO 97 HD2 PRO 97 -4.369 3.621 -35.628 760 HD3 PRO 97 HD3 PRO 97 -3.466 4.893 -34.744 761 H VAL 98 H VAL 98 0.664 1.748 -36.659 762 HA VAL 98 HA VAL 98 -0.448 0.404 -38.945 763 HB VAL 98 HB VAL 98 1.828 -0.481 -37.152 764 HG11 VAL 98 HG11 VAL 98 1.042 -1.159 -40.025 765 HG12 VAL 98 HG12 VAL 98 2.518 -1.718 -39.204 766 HG13 VAL 98 HG13 VAL 98 0.930 -2.258 -38.640 767 HG21 VAL 98 HG21 VAL 98 2.258 1.774 -38.057 768 HG22 VAL 98 HG22 VAL 98 3.261 0.579 -38.899 769 HG23 VAL 98 HG23 VAL 98 1.802 1.218 -39.688 770 H VAL 99 H VAL 99 -2.521 -0.257 -38.311 771 HA VAL 99 HA VAL 99 -2.496 -2.848 -36.833 772 HB VAL 99 HB VAL 99 -4.662 -0.711 -36.739 773 HG11 VAL 99 HG11 VAL 99 -4.482 -3.466 -35.440 774 HG12 VAL 99 HG12 VAL 99 -5.767 -2.264 -35.157 775 HG13 VAL 99 HG13 VAL 99 -5.589 -3.013 -36.754 776 HG21 VAL 99 HG21 VAL 99 -2.828 -1.830 -34.574 777 HG22 VAL 99 HG22 VAL 99 -2.704 -0.207 -35.287 778 HG23 VAL 99 HG23 VAL 99 -4.134 -0.646 -34.327 779 H GLU 100 H GLU 100 -2.301 -4.051 -38.665 780 HA GLU 100 HA GLU 100 -4.569 -4.028 -40.566 781 HB2 GLU 100 HB2 GLU 100 -3.271 -3.643 -42.460 782 HB3 GLU 100 HB3 GLU 100 -2.546 -2.507 -41.311 783 HG2 GLU 100 HG2 GLU 100 -0.867 -4.369 -40.755 784 HG3 GLU 100 HG3 GLU 100 -1.514 -5.144 -42.212 785 H VAL 101 H VAL 101 -4.028 -5.856 -42.269 786 HA VAL 101 HA VAL 101 -2.772 -8.170 -40.876 787 HB VAL 101 HB VAL 101 -5.367 -8.193 -42.456 788 HG11 VAL 101 HG11 VAL 101 -4.078 -10.273 -42.754 789 HG12 VAL 101 HG12 VAL 101 -3.861 -10.406 -40.989 790 HG13 VAL 101 HG13 VAL 101 -5.480 -10.560 -41.709 791 HG21 VAL 101 HG21 VAL 101 -5.652 -7.213 -40.209 792 HG22 VAL 101 HG22 VAL 101 -6.370 -8.833 -40.267 793 HG23 VAL 101 HG23 VAL 101 -4.789 -8.580 -39.486 794 H ASP 102 H ASP 102 -1.553 -9.503 -42.209 795 HA ASP 102 HA ASP 102 -1.417 -8.877 -45.073 796 HB2 ASP 102 HB2 ASP 102 0.020 -7.206 -43.813 797 HB3 ASP 102 HB3 ASP 102 0.978 -8.564 -43.209 798 H GLU 103 H GLU 103 -2.157 -11.142 -43.397 799 HA GLU 103 HA GLU 103 -0.500 -13.207 -44.684 800 HB2 GLU 103 HB2 GLU 103 0.693 -12.816 -42.606 801 HB3 GLU 103 HB3 GLU 103 -0.811 -12.941 -41.662 802 HG2 GLU 103 HG2 GLU 103 -1.016 -15.299 -42.257 803 HG3 GLU 103 HG3 GLU 103 0.429 -15.167 -43.288 804 H LEU 104 H LEU 104 -1.453 -15.263 -44.601 805 HA LEU 104 HA LEU 104 -3.129 -16.657 -45.075 806 HB2 LEU 104 HB2 LEU 104 -3.400 -15.632 -42.307 807 HB3 LEU 104 HB3 LEU 104 -4.660 -16.720 -42.918 808 HG LEU 104 HG LEU 104 -1.823 -17.588 -43.251 809 HD11 LEU 104 HD11 LEU 104 -1.866 -18.565 -40.993 810 HD12 LEU 104 HD12 LEU 104 -1.977 -16.799 -40.896 811 HD13 LEU 104 HD13 LEU 104 -3.435 -17.791 -40.668 812 HD21 LEU 104 HD21 LEU 104 -4.548 -18.874 -42.703 813 HD22 LEU 104 HD22 LEU 104 -3.558 -19.027 -44.177 814 HD23 LEU 104 HD23 LEU 104 -3.015 -19.780 -42.678 815 HA PRO 105 HA PRO 105 -6.912 -15.580 -46.976 816 HB2 PRO 105 HB2 PRO 105 -8.250 -17.394 -44.974 817 HB3 PRO 105 HB3 PRO 105 -8.414 -17.381 -46.759 818 HG2 PRO 105 HG2 PRO 105 -6.856 -19.224 -45.596 819 HG3 PRO 105 HG3 PRO 105 -6.207 -18.321 -47.019 820 HD2 PRO 105 HD2 PRO 105 -5.724 -17.774 -44.074 821 HD3 PRO 105 HD3 PRO 105 -4.529 -17.831 -45.391 822 H GLU 106 H GLU 106 -9.527 -15.697 -46.102 823 HA GLU 106 HA GLU 106 -9.771 -13.513 -44.087 824 HB2 GLU 106 HB2 GLU 106 -10.199 -12.895 -46.517 825 HB3 GLU 106 HB3 GLU 106 -11.592 -13.996 -46.474 826 HG2 GLU 106 HG2 GLU 106 -12.612 -12.648 -44.684 827 HG3 GLU 106 HG3 GLU 106 -11.166 -11.628 -44.608 828 H GLY 107 H GLY 107 -9.784 -16.550 -43.968 829 HA2 GLY 107 HA2 GLY 107 -12.396 -16.842 -42.540 830 HA3 GLY 107 HA3 GLY 107 -11.820 -18.081 -43.666 831 H TYR 108 H TYR 108 -8.887 -17.634 -42.764 832 HA TYR 108 HA TYR 108 -8.652 -19.305 -40.452 833 HB2 TYR 108 HB2 TYR 108 -6.489 -19.065 -40.833 834 HB3 TYR 108 HB3 TYR 108 -7.061 -18.527 -42.424 835 HD1 TYR 108 HD1 TYR 108 -7.128 -16.155 -42.981 836 HD2 TYR 108 HD2 TYR 108 -5.706 -17.594 -39.226 837 HE1 TYR 108 HE1 TYR 108 -5.963 -14.018 -42.642 838 HE2 TYR 108 HE2 TYR 108 -4.706 -15.396 -38.707 839 HH TYR 108 HH TYR 108 -4.805 -12.693 -41.147 840 H ASP 109 H ASP 109 -7.631 -18.589 -38.447 841 HA ASP 109 HA ASP 109 -8.164 -15.804 -37.630 842 HB2 ASP 109 HB2 ASP 109 -10.128 -17.435 -37.070 843 HB3 ASP 109 HB3 ASP 109 -9.033 -18.077 -35.837 844 H ARG 110 H ARG 110 -7.080 -15.429 -35.411 845 HA ARG 110 HA ARG 110 -4.556 -17.027 -35.304 846 HB2 ARG 110 HB2 ARG 110 -4.314 -14.925 -36.542 847 HB3 ARG 110 HB3 ARG 110 -4.813 -14.019 -35.102 848 HG2 ARG 110 HG2 ARG 110 -2.864 -14.830 -33.858 849 HG3 ARG 110 HG3 ARG 110 -2.422 -15.925 -35.184 850 HD2 ARG 110 HD2 ARG 110 -2.588 -12.898 -35.450 851 HD3 ARG 110 HD3 ARG 110 -1.110 -13.765 -35.012 852 HE ARG 110 HE ARG 110 -0.964 -14.707 -37.177 853 HH11 ARG 110 HH11 ARG 110 -3.761 -12.543 -36.886 854 HH12 ARG 110 HH12 ARG 110 -3.987 -12.454 -38.620 855 HH21 ARG 110 HH21 ARG 110 -1.274 -14.508 -39.413 856 HH22 ARG 110 HH22 ARG 110 -2.610 -13.564 -40.030 857 H SER 111 H SER 111 -7.282 -15.980 -33.592 858 HA SER 111 HA SER 111 -6.082 -16.732 -31.016 859 HB2 SER 111 HB2 SER 111 -6.822 -14.665 -29.905 860 HB3 SER 111 HB3 SER 111 -5.596 -14.328 -31.146 861 HG SER 111 HG SER 111 -7.390 -12.895 -31.257 862 H1 ALA 701 H1 ALA 701 22.428 19.285 -14.918 863 H2 ALA 701 H2 ALA 701 22.181 19.658 -13.331 864 H3 ALA 701 H3 ALA 701 21.738 20.722 -14.499 865 HA ALA 701 HA ALA 701 20.088 19.229 -15.340 866 HB1 ALA 701 HB1 ALA 701 20.892 17.484 -12.976 867 HB2 ALA 701 HB2 ALA 701 19.560 17.170 -14.105 868 HB3 ALA 701 HB3 ALA 701 21.242 17.137 -14.683 869 H ASP 702 H ASP 702 17.953 18.719 -14.096 870 HA ASP 702 HA ASP 702 17.601 20.357 -11.687 871 HB2 ASP 702 HB2 ASP 702 17.415 21.907 -13.653 872 HB3 ASP 702 HB3 ASP 702 16.102 20.903 -14.284 873 H THR 703 H THR 703 17.475 17.496 -12.457 874 HA THR 703 HA THR 703 14.659 16.901 -11.723 875 HB THR 703 HB THR 703 14.696 15.063 -13.444 876 HG1 THR 703 HG1 THR 703 16.957 15.058 -13.759 877 HG21 THR 703 HG21 THR 703 14.968 17.855 -14.606 878 HG22 THR 703 HG22 THR 703 14.247 16.431 -15.397 879 HG23 THR 703 HG23 THR 703 13.477 17.125 -13.945 880 H GLU 704 H GLU 704 14.375 14.602 -11.252 881 HA GLU 704 HA GLU 704 16.830 13.048 -10.661 882 HB2 GLU 704 HB2 GLU 704 15.858 12.267 -8.535 883 HB3 GLU 704 HB3 GLU 704 16.199 14.010 -8.525 884 HG2 GLU 704 HG2 GLU 704 13.829 14.493 -8.987 885 HG3 GLU 704 HG3 GLU 704 13.472 12.759 -9.045 886 H MET 705 H MET 705 13.437 13.255 -11.612 887 HA MET 705 HA MET 705 12.835 10.502 -11.936 888 HB2 MET 705 HB2 MET 705 11.483 11.562 -13.936 889 HB3 MET 705 HB3 MET 705 10.978 11.794 -12.266 890 HG2 MET 705 HG2 MET 705 12.758 13.776 -13.747 891 HG3 MET 705 HG3 MET 705 11.005 13.865 -13.776 892 HE1 MET 705 HE1 MET 705 10.052 14.414 -10.042 893 HE2 MET 705 HE2 MET 705 9.569 13.732 -11.628 894 HE3 MET 705 HE3 MET 705 10.592 12.791 -10.538 895 H GLU 706 H GLU 706 14.776 12.782 -13.826 896 HA GLU 706 HA GLU 706 15.058 10.802 -15.993 897 HB2 GLU 706 HB2 GLU 706 14.452 13.236 -16.382 898 HB3 GLU 706 HB3 GLU 706 16.098 13.672 -15.919 899 HG2 GLU 706 HG2 GLU 706 16.975 12.243 -17.763 900 HG3 GLU 706 HG3 GLU 706 15.328 11.674 -18.088 901 H GLU 707 H GLU 707 16.145 10.562 -13.255 902 HA GLU 707 HA GLU 707 18.936 9.943 -13.984 903 HB2 GLU 707 HB2 GLU 707 18.732 12.138 -12.685 904 HB3 GLU 707 HB3 GLU 707 18.152 11.173 -11.319 905 HG2 GLU 707 HG2 GLU 707 20.287 9.894 -11.335 906 HG3 GLU 707 HG3 GLU 707 20.817 10.784 -12.768 907 H VAL 708 H VAL 708 16.615 8.397 -14.067 908 HA VAL 708 HA VAL 708 15.652 6.483 -13.448 909 HB VAL 708 HB VAL 708 17.040 4.652 -13.123 910 HG11 VAL 708 HG11 VAL 708 18.525 6.730 -14.730 911 HG12 VAL 708 HG12 VAL 708 18.762 4.972 -14.802 912 HG13 VAL 708 HG13 VAL 708 17.182 5.676 -15.281 913 HG21 VAL 708 HG21 VAL 708 18.493 5.656 -11.241 914 HG22 VAL 708 HG22 VAL 708 19.313 4.660 -12.471 915 HG23 VAL 708 HG23 VAL 708 19.426 6.438 -12.540 916 H ASP 709 H ASP 709 16.577 4.656 -11.253 917 HA ASP 709 HA ASP 709 14.697 4.976 -9.357 918 HB2 ASP 709 HB2 ASP 709 16.115 3.691 -7.820 919 HB3 ASP 709 HB3 ASP 709 15.990 3.012 -9.439 Start of MODEL 6 1 H1 SER 2 H1 SER 2 21.245 -13.723 -3.084 2 H2 SER 2 H2 SER 2 21.544 -12.304 -2.305 3 H3 SER 2 H3 SER 2 22.554 -12.811 -3.501 4 HA SER 2 HA SER 2 20.830 -12.586 -5.134 5 HB2 SER 2 HB2 SER 2 18.717 -11.480 -4.488 6 HB3 SER 2 HB3 SER 2 18.931 -13.028 -3.647 7 HG SER 2 HG SER 2 18.277 -11.337 -2.247 8 H GLN 3 H GLN 3 20.015 -10.332 -5.937 9 HA GLN 3 HA GLN 3 21.448 -8.048 -4.793 10 HB2 GLN 3 HB2 GLN 3 22.702 -7.582 -6.854 11 HB3 GLN 3 HB3 GLN 3 23.187 -9.138 -6.159 12 HG2 GLN 3 HG2 GLN 3 21.715 -10.320 -7.767 13 HG3 GLN 3 HG3 GLN 3 21.235 -8.771 -8.474 14 HE21 GLN 3 HE22 GLN 3 22.292 -10.633 -10.165 15 HE22 GLN 3 HE21 GLN 3 23.911 -10.164 -10.641 16 H PHE 4 H PHE 4 21.050 -6.051 -6.262 17 HA PHE 4 HA PHE 4 18.689 -6.123 -7.987 18 HB2 PHE 4 HB2 PHE 4 17.591 -6.125 -5.785 19 HB3 PHE 4 HB3 PHE 4 18.678 -4.865 -5.204 20 HD1 PHE 4 HD2 PHE 4 18.466 -2.475 -6.131 21 HD2 PHE 4 HD1 PHE 4 15.620 -5.595 -7.004 22 HE1 PHE 4 HE2 PHE 4 16.800 -0.785 -6.722 23 HE2 PHE 4 HE1 PHE 4 13.948 -3.879 -7.611 24 HZ PHE 4 HZ PHE 4 14.542 -1.454 -7.480 25 H GLU 5 H GLU 5 20.940 -4.402 -5.890 26 HA GLU 5 HA GLU 5 21.058 -1.887 -6.979 27 HB2 GLU 5 HB2 GLU 5 23.234 -3.722 -5.935 28 HB3 GLU 5 HB3 GLU 5 23.406 -1.985 -6.102 29 HG2 GLU 5 HG2 GLU 5 21.469 -1.615 -4.576 30 HG3 GLU 5 HG3 GLU 5 21.325 -3.361 -4.341 31 H LYS 6 H LYS 6 22.815 -4.907 -8.181 32 HA LYS 6 HA LYS 6 24.476 -3.298 -9.843 33 HB2 LYS 6 HB2 LYS 6 24.995 -5.427 -8.742 34 HB3 LYS 6 HB3 LYS 6 23.852 -6.278 -9.811 35 HG2 LYS 6 HG2 LYS 6 26.133 -6.537 -10.501 36 HG3 LYS 6 HG3 LYS 6 25.240 -5.653 -11.765 37 HD2 LYS 6 HD2 LYS 6 26.651 -4.047 -9.648 38 HD3 LYS 6 HD3 LYS 6 27.668 -4.884 -10.844 39 HE2 LYS 6 HE2 LYS 6 26.416 -3.821 -12.682 40 HE3 LYS 6 HE3 LYS 6 25.425 -2.939 -11.512 41 HZ1 LYS 6 HZ1 LYS 6 27.262 -1.628 -12.353 42 HZ2 LYS 6 HZ2 LYS 6 27.410 -1.851 -10.731 43 HZ3 LYS 6 HZ3 LYS 6 28.353 -2.703 -11.769 44 H GLN 7 H GLN 7 21.617 -5.401 -10.214 45 HA GLN 7 HA GLN 7 21.254 -5.306 -12.997 46 HB2 GLN 7 HB2 GLN 7 19.311 -5.468 -10.662 47 HB3 GLN 7 HB3 GLN 7 18.924 -5.931 -12.333 48 HG2 GLN 7 HG2 GLN 7 21.267 -7.153 -10.778 49 HG3 GLN 7 HG3 GLN 7 19.638 -7.782 -10.674 50 HE21 GLN 7 HE22 GLN 7 18.544 -8.337 -12.772 51 HE22 GLN 7 HE21 GLN 7 19.524 -8.954 -14.085 52 H LYS 8 H LYS 8 20.876 -2.932 -10.459 53 HA LYS 8 HA LYS 8 19.095 -1.175 -11.994 54 HB2 LYS 8 HB2 LYS 8 18.775 -1.597 -9.620 55 HB3 LYS 8 HB3 LYS 8 20.404 -1.018 -9.252 56 HG2 LYS 8 HG2 LYS 8 19.832 1.237 -9.937 57 HG3 LYS 8 HG3 LYS 8 18.276 0.682 -10.612 58 HD2 LYS 8 HD2 LYS 8 17.935 1.637 -8.348 59 HD3 LYS 8 HD3 LYS 8 17.543 -0.088 -8.438 60 HE2 LYS 8 HE2 LYS 8 18.775 0.306 -6.386 61 HE3 LYS 8 HE3 LYS 8 19.767 -0.638 -7.484 62 HZ1 LYS 8 HZ1 LYS 8 20.997 1.167 -6.453 63 HZ2 LYS 8 HZ2 LYS 8 20.932 1.386 -8.083 64 HZ3 LYS 8 HZ3 LYS 8 19.979 2.282 -7.093 65 H GLU 9 H GLU 9 22.383 -0.811 -10.392 66 HA GLU 9 HA GLU 9 22.707 1.563 -11.949 67 HB2 GLU 9 HB2 GLU 9 25.001 1.725 -11.087 68 HB3 GLU 9 HB3 GLU 9 23.709 1.711 -9.874 69 HG2 GLU 9 HG2 GLU 9 24.239 -0.348 -9.103 70 HG3 GLU 9 HG3 GLU 9 25.017 -0.862 -10.637 71 H GLN 10 H GLN 10 23.308 -1.777 -12.795 72 HA GLN 10 HA GLN 10 25.284 -1.244 -14.802 73 HB2 GLN 10 HB2 GLN 10 24.561 -3.554 -14.068 74 HB3 GLN 10 HB3 GLN 10 22.991 -3.258 -14.834 75 HG2 GLN 10 HG2 GLN 10 24.348 -2.744 -16.989 76 HG3 GLN 10 HG3 GLN 10 25.712 -3.496 -16.154 77 HE21 GLN 10 HE22 GLN 10 22.937 -3.971 -18.062 78 HE22 GLN 10 HE21 GLN 10 22.795 -5.707 -17.919 79 H GLY 11 H GLY 11 21.688 -1.594 -15.200 80 HA2 GLY 11 HA2 GLY 11 21.754 -0.634 -17.908 81 HA3 GLY 11 HA3 GLY 11 20.318 -0.860 -16.892 82 H ASN 12 H ASN 12 21.547 0.860 -14.779 83 HA ASN 12 HA ASN 12 20.423 3.367 -15.112 84 HB2 ASN 12 HB2 ASN 12 21.192 2.523 -13.005 85 HB3 ASN 12 HB3 ASN 12 22.786 2.196 -13.739 86 HD21 ASN 12 HD22 ASN 12 23.919 2.922 -12.160 87 HD22 ASN 12 HD21 ASN 12 24.028 4.570 -11.648 88 H SER 13 H SER 13 23.623 2.231 -16.329 89 HA SER 13 HA SER 13 24.176 4.991 -17.260 90 HB2 SER 13 HB2 SER 13 26.009 3.773 -16.256 91 HB3 SER 13 HB3 SER 13 25.784 2.416 -17.395 92 HG SER 13 HG SER 13 26.539 5.083 -18.017 93 H LEU 14 H LEU 14 23.353 1.729 -18.577 94 HA LEU 14 HA LEU 14 23.684 2.213 -21.332 95 HB2 LEU 14 HB2 LEU 14 21.706 0.539 -19.792 96 HB3 LEU 14 HB3 LEU 14 22.064 0.388 -21.502 97 HG LEU 14 HG LEU 14 23.690 -0.439 -19.147 98 HD11 LEU 14 HD11 LEU 14 23.520 -1.127 -22.078 99 HD12 LEU 14 HD12 LEU 14 24.335 -2.137 -20.836 100 HD13 LEU 14 HD13 LEU 14 22.560 -1.899 -20.766 101 HD21 LEU 14 HD21 LEU 14 25.309 1.247 -20.030 102 HD22 LEU 14 HD22 LEU 14 25.825 -0.408 -20.393 103 HD23 LEU 14 HD23 LEU 14 25.084 0.577 -21.666 104 H PHE 15 H PHE 15 21.063 3.163 -19.107 105 HA PHE 15 HA PHE 15 19.198 4.032 -21.123 106 HB2 PHE 15 HB2 PHE 15 18.271 3.585 -19.042 107 HB3 PHE 15 HB3 PHE 15 19.641 4.280 -18.175 108 HD1 PHE 15 HD2 PHE 15 16.645 5.265 -20.210 109 HD2 PHE 15 HD1 PHE 15 19.614 6.443 -17.325 110 HE1 PHE 15 HE2 PHE 15 15.362 7.337 -19.728 111 HE2 PHE 15 HE1 PHE 15 18.229 8.384 -16.695 112 HZ PHE 15 HZ PHE 15 16.151 8.889 -17.939 113 H LYS 16 H LYS 16 22.043 5.477 -19.600 114 HA LYS 16 HA LYS 16 21.216 8.161 -20.345 115 HB2 LYS 16 HB2 LYS 16 23.926 7.331 -19.284 116 HB3 LYS 16 HB3 LYS 16 23.089 8.895 -19.093 117 HG2 LYS 16 HG2 LYS 16 21.380 7.750 -17.678 118 HG3 LYS 16 HG3 LYS 16 22.261 6.228 -17.931 119 HD2 LYS 16 HD2 LYS 16 23.015 6.939 -15.840 120 HD3 LYS 16 HD3 LYS 16 24.320 7.424 -16.930 121 HE2 LYS 16 HE2 LYS 16 23.358 9.726 -17.030 122 HE3 LYS 16 HE3 LYS 16 22.032 9.204 -15.972 123 HZ1 LYS 16 HZ1 LYS 16 23.653 8.748 -14.265 124 HZ2 LYS 16 HZ2 LYS 16 24.884 9.264 -15.237 125 HZ3 LYS 16 HZ3 LYS 16 23.733 10.316 -14.729 126 H GLN 17 H GLN 17 22.536 5.607 -22.085 127 HA GLN 17 HA GLN 17 24.577 7.190 -23.532 128 HB2 GLN 17 HB2 GLN 17 23.979 4.224 -23.221 129 HB3 GLN 17 HB3 GLN 17 25.103 4.836 -24.421 130 HG2 GLN 17 HG2 GLN 17 26.297 6.094 -22.555 131 HG3 GLN 17 HG3 GLN 17 25.329 5.165 -21.410 132 HE21 GLN 17 HE22 GLN 17 25.256 2.650 -22.166 133 HE22 GLN 17 HE21 GLN 17 26.842 1.961 -22.432 134 H GLY 18 H GLY 18 21.329 5.973 -23.919 135 HA2 GLY 18 HA2 GLY 18 20.398 6.988 -26.135 136 HA3 GLY 18 HA3 GLY 18 21.688 5.937 -26.863 137 H LEU 19 H LEU 19 21.248 3.974 -24.679 138 HA LEU 19 HA LEU 19 19.354 2.499 -26.412 139 HB2 LEU 19 HB2 LEU 19 20.793 0.533 -25.581 140 HB3 LEU 19 HB3 LEU 19 21.237 1.544 -26.924 141 HG LEU 19 HG LEU 19 22.624 2.840 -24.907 142 HD11 LEU 19 HD11 LEU 19 22.637 -0.115 -24.183 143 HD12 LEU 19 HD12 LEU 19 23.500 1.190 -23.347 144 HD13 LEU 19 HD13 LEU 19 21.718 1.117 -23.288 145 HD21 LEU 19 HD21 LEU 19 23.595 1.966 -27.003 146 HD22 LEU 19 HD22 LEU 19 24.588 1.541 -25.586 147 HD23 LEU 19 HD23 LEU 19 23.540 0.318 -26.339 148 H TYR 20 H TYR 20 17.928 3.634 -25.029 149 HA TYR 20 HA TYR 20 17.430 3.259 -22.343 150 HB2 TYR 20 HB2 TYR 20 15.406 3.338 -24.591 151 HB3 TYR 20 HB3 TYR 20 15.160 3.976 -22.979 152 HD1 TYR 20 HD1 TYR 20 17.540 5.501 -22.369 153 HD2 TYR 20 HD2 TYR 20 15.507 5.080 -26.135 154 HE1 TYR 20 HE1 TYR 20 18.524 7.656 -23.138 155 HE2 TYR 20 HE2 TYR 20 16.484 7.231 -26.908 156 HH TYR 20 HH TYR 20 18.665 9.178 -24.841 157 H ARG 21 H ARG 21 16.682 1.011 -25.071 158 HA ARG 21 HA ARG 21 14.953 -0.669 -23.446 159 HB2 ARG 21 HB2 ARG 21 15.287 -0.276 -26.103 160 HB3 ARG 21 HB3 ARG 21 16.427 -1.612 -25.897 161 HG2 ARG 21 HG2 ARG 21 13.455 -1.524 -25.465 162 HG3 ARG 21 HG3 ARG 21 14.423 -2.630 -26.476 163 HD2 ARG 21 HD2 ARG 21 15.365 -3.610 -24.338 164 HD3 ARG 21 HD3 ARG 21 14.204 -2.600 -23.439 165 HE ARG 21 HE ARG 21 13.683 -5.064 -24.881 166 HH11 ARG 21 HH11 ARG 21 12.206 -2.041 -23.771 167 HH12 ARG 21 HH12 ARG 21 10.585 -2.702 -23.785 168 HH21 ARG 21 HH21 ARG 21 11.560 -5.885 -24.885 169 HH22 ARG 21 HH22 ARG 21 10.226 -4.864 -24.402 170 H GLU 22 H GLU 22 18.365 -0.692 -24.525 171 HA GLU 22 HA GLU 22 18.983 -3.216 -23.329 172 HB2 GLU 22 HB2 GLU 22 20.768 -0.838 -23.958 173 HB3 GLU 22 HB3 GLU 22 21.339 -2.487 -23.597 174 HG2 GLU 22 HG2 GLU 22 20.058 -3.323 -25.553 175 HG3 GLU 22 HG3 GLU 22 19.597 -1.664 -25.961 176 H ALA 23 H ALA 23 18.120 -0.230 -21.978 177 HA ALA 23 HA ALA 23 19.603 -0.697 -19.481 178 HB1 ALA 23 HB1 ALA 23 17.480 1.406 -20.092 179 HB2 ALA 23 HB2 ALA 23 18.706 1.414 -18.812 180 HB3 ALA 23 HB3 ALA 23 19.178 1.597 -20.527 181 H VAL 24 H VAL 24 16.150 -0.590 -20.735 182 HA VAL 24 HA VAL 24 14.977 -1.258 -18.312 183 HB VAL 24 HB VAL 24 13.099 -1.098 -19.330 184 HG11 VAL 24 HG11 VAL 24 14.411 -0.158 -21.812 185 HG12 VAL 24 HG12 VAL 24 12.910 0.386 -21.048 186 HG13 VAL 24 HG13 VAL 24 14.473 0.732 -20.258 187 HG21 VAL 24 HG21 VAL 24 13.857 -2.840 -21.600 188 HG22 VAL 24 HG22 VAL 24 12.836 -3.158 -20.158 189 HG23 VAL 24 HG23 VAL 24 12.289 -1.986 -21.370 190 H HIS 25 H HIS 25 16.140 -3.179 -21.005 191 HA HIS 25 HA HIS 25 14.844 -5.539 -20.178 192 HB2 HIS 25 HB2 HIS 25 15.879 -6.618 -21.972 193 HB3 HIS 25 HB3 HIS 25 15.718 -4.936 -22.474 194 HD2 HIS 25 HD2 HIS 25 18.475 -4.004 -20.825 195 HE1 HIS 25 HE1 HIS 25 20.362 -6.536 -23.673 196 HE2 HIS 25 HE2 HIS 25 20.739 -4.695 -21.942 197 H CYS 26 H CYS 26 17.108 -3.971 -18.494 198 HA CYS 26 HA CYS 26 17.911 -6.458 -17.056 199 HB2 CYS 26 HB2 CYS 26 19.480 -3.872 -17.407 200 HB3 CYS 26 HB3 CYS 26 19.918 -5.182 -16.292 201 HG CYS 26 HG CYS 26 19.432 -5.377 -19.564 202 H TYR 27 H TYR 27 16.657 -3.156 -17.018 203 HA TYR 27 HA TYR 27 16.163 -2.778 -14.216 204 HB2 TYR 27 HB2 TYR 27 14.639 -2.102 -16.753 205 HB3 TYR 27 HB3 TYR 27 14.193 -1.416 -15.262 206 HD1 TYR 27 HD1 TYR 27 17.619 -1.332 -14.830 207 HD2 TYR 27 HD2 TYR 27 14.526 0.413 -17.262 208 HE1 TYR 27 HE1 TYR 27 19.007 0.691 -15.152 209 HE2 TYR 27 HE2 TYR 27 15.872 2.434 -17.574 210 HH TYR 27 HH TYR 27 19.173 2.730 -16.159 211 H ASP 28 H ASP 28 14.584 -4.686 -16.764 212 HA ASP 28 HA ASP 28 12.093 -5.077 -15.541 213 HB2 ASP 28 HB2 ASP 28 12.748 -5.533 -17.908 214 HB3 ASP 28 HB3 ASP 28 13.612 -6.980 -17.342 215 H GLN 29 H GLN 29 15.260 -6.585 -14.881 216 HA GLN 29 HA GLN 29 14.053 -8.694 -13.331 217 HB2 GLN 29 HB2 GLN 29 16.918 -7.707 -13.545 218 HB3 GLN 29 HB3 GLN 29 16.408 -9.080 -12.550 219 HG2 GLN 29 HG2 GLN 29 16.832 -10.303 -14.395 220 HG3 GLN 29 HG3 GLN 29 15.217 -9.796 -14.870 221 HE21 GLN 29 HE22 GLN 29 15.019 -8.787 -16.836 222 HE22 GLN 29 HE21 GLN 29 16.356 -8.100 -17.738 223 H LEU 30 H LEU 30 14.808 -5.335 -12.668 224 HA LEU 30 HA LEU 30 15.089 -5.514 -9.795 225 HB2 LEU 30 HB2 LEU 30 13.787 -3.370 -11.496 226 HB3 LEU 30 HB3 LEU 30 14.375 -3.163 -9.837 227 HG LEU 30 HG LEU 30 15.934 -3.583 -12.357 228 HD11 LEU 30 HD11 LEU 30 16.075 -1.457 -10.183 229 HD12 LEU 30 HD12 LEU 30 17.052 -1.503 -11.671 230 HD13 LEU 30 HD13 LEU 30 15.288 -1.274 -11.779 231 HD21 LEU 30 HD21 LEU 30 16.998 -5.031 -10.670 232 HD22 LEU 30 HD22 LEU 30 18.000 -3.590 -10.912 233 HD23 LEU 30 HD23 LEU 30 16.961 -3.697 -9.479 234 H ILE 31 H ILE 31 12.350 -5.469 -12.079 235 HA ILE 31 HA ILE 31 10.385 -5.372 -9.922 236 HB ILE 31 HB ILE 31 9.897 -6.164 -12.824 237 HG12 ILE 31 HG12 ILE 31 9.053 -3.531 -12.551 238 HG13 ILE 31 HG13 ILE 31 10.559 -3.524 -11.630 239 HG21 ILE 31 HG21 ILE 31 8.314 -4.880 -10.590 240 HG22 ILE 31 HG22 ILE 31 7.669 -5.275 -12.209 241 HG23 ILE 31 HG23 ILE 31 8.178 -6.594 -11.116 242 HD11 ILE 31 HD11 ILE 31 10.237 -4.531 -14.492 243 HD12 ILE 31 HD12 ILE 31 10.901 -2.948 -14.018 244 HD13 ILE 31 HD13 ILE 31 11.756 -4.447 -13.560 245 H THR 32 H THR 32 11.882 -7.927 -11.985 246 HA THR 32 HA THR 32 10.069 -9.912 -10.878 247 HB THR 32 HB THR 32 12.743 -9.985 -12.343 248 HG1 THR 32 HG1 THR 32 10.972 -9.325 -13.558 249 HG21 THR 32 HG21 THR 32 11.000 -12.383 -11.675 250 HG22 THR 32 HG22 THR 32 12.378 -12.374 -12.814 251 HG23 THR 32 HG23 THR 32 12.660 -12.064 -11.098 252 H ALA 33 H ALA 33 13.144 -8.524 -9.806 253 HA ALA 33 HA ALA 33 13.507 -10.669 -7.852 254 HB1 ALA 33 HB1 ALA 33 14.920 -7.980 -8.197 255 HB2 ALA 33 HB2 ALA 33 15.437 -9.287 -7.116 256 HB3 ALA 33 HB3 ALA 33 15.463 -9.538 -8.877 257 H GLN 34 H GLN 34 12.108 -7.438 -8.090 258 HA GLN 34 HA GLN 34 10.979 -7.720 -5.402 259 HB2 GLN 34 HB2 GLN 34 13.260 -6.328 -5.830 260 HB3 GLN 34 HB3 GLN 34 12.155 -5.072 -6.287 261 HG2 GLN 34 HG2 GLN 34 11.108 -5.189 -4.005 262 HG3 GLN 34 HG3 GLN 34 12.183 -6.552 -3.613 263 HE21 GLN 34 HE22 GLN 34 14.556 -5.891 -4.742 264 HE22 GLN 34 HE21 GLN 34 15.147 -4.297 -4.369 265 HA PRO 35 HA PRO 35 8.196 -6.449 -8.843 266 HB2 PRO 35 HB2 PRO 35 6.205 -8.314 -8.150 267 HB3 PRO 35 HB3 PRO 35 7.530 -8.499 -9.326 268 HG2 PRO 35 HG2 PRO 35 7.309 -9.793 -6.681 269 HG3 PRO 35 HG3 PRO 35 8.398 -10.158 -8.058 270 HD2 PRO 35 HD2 PRO 35 9.111 -8.792 -5.688 271 HD3 PRO 35 HD3 PRO 35 10.082 -9.172 -7.139 272 H GLN 36 H GLN 36 8.116 -6.576 -5.588 273 HA GLN 36 HA GLN 36 6.027 -4.463 -5.504 274 HB2 GLN 36 HB2 GLN 36 7.137 -5.927 -3.080 275 HB3 GLN 36 HB3 GLN 36 5.771 -4.813 -3.131 276 HG2 GLN 36 HG2 GLN 36 4.444 -6.613 -3.369 277 HG3 GLN 36 HG3 GLN 36 5.078 -6.756 -5.019 278 HE21 GLN 36 HE22 GLN 36 7.102 -8.038 -5.269 279 HE22 GLN 36 HE21 GLN 36 7.461 -9.353 -4.162 280 H ASN 37 H ASN 37 8.319 -3.681 -6.619 281 HA ASN 37 HA ASN 37 9.198 -1.657 -4.638 282 HB2 ASN 37 HB2 ASN 37 11.384 -2.294 -4.716 283 HB3 ASN 37 HB3 ASN 37 10.805 -3.752 -5.489 284 HD21 ASN 37 HD22 ASN 37 10.794 -3.888 -7.762 285 HD22 ASN 37 HD21 ASN 37 11.970 -2.974 -8.713 286 HA PRO 38 HA PRO 38 7.933 0.912 -8.080 287 HB2 PRO 38 HB2 PRO 38 9.665 2.889 -6.678 288 HB3 PRO 38 HB3 PRO 38 7.932 3.043 -7.165 289 HG2 PRO 38 HG2 PRO 38 8.759 2.747 -4.577 290 HG3 PRO 38 HG3 PRO 38 7.321 1.830 -5.168 291 HD2 PRO 38 HD2 PRO 38 10.210 0.872 -4.970 292 HD3 PRO 38 HD3 PRO 38 8.695 0.081 -4.402 293 H VAL 39 H VAL 39 11.403 1.622 -7.029 294 HA VAL 39 HA VAL 39 12.239 2.747 -9.341 295 HB VAL 39 HB VAL 39 14.004 2.791 -8.279 296 HG11 VAL 39 HG11 VAL 39 14.697 1.867 -6.340 297 HG12 VAL 39 HG12 VAL 39 12.970 2.224 -6.222 298 HG13 VAL 39 HG13 VAL 39 13.526 0.517 -6.411 299 HG21 VAL 39 HG21 VAL 39 14.965 1.307 -9.852 300 HG22 VAL 39 HG22 VAL 39 15.699 0.976 -8.276 301 HG23 VAL 39 HG23 VAL 39 14.463 -0.128 -8.937 302 H GLY 40 H GLY 40 11.689 -0.557 -8.806 303 HA2 GLY 40 HA2 GLY 40 12.751 -1.837 -11.188 304 HA3 GLY 40 HA3 GLY 40 11.349 -2.383 -10.350 305 H TYR 41 H TYR 41 9.428 -0.517 -10.733 306 HA TYR 41 HA TYR 41 8.801 -0.527 -13.522 307 HB2 TYR 41 HB2 TYR 41 7.732 0.908 -11.065 308 HB3 TYR 41 HB3 TYR 41 6.889 0.901 -12.582 309 HD1 TYR 41 HD1 TYR 41 6.149 -1.346 -13.575 310 HD2 TYR 41 HD2 TYR 41 7.535 -0.872 -9.542 311 HE1 TYR 41 HE1 TYR 41 5.078 -3.509 -12.971 312 HE2 TYR 41 HE2 TYR 41 6.486 -3.045 -8.918 313 HH TYR 41 HH TYR 41 4.661 -5.019 -11.298 314 H SER 42 H SER 42 10.492 1.726 -11.368 315 HA SER 42 HA SER 42 9.732 4.084 -12.880 316 HB2 SER 42 HB2 SER 42 11.984 3.899 -10.846 317 HB3 SER 42 HB3 SER 42 10.976 5.303 -11.292 318 HG SER 42 HG SER 42 9.963 2.935 -10.124 319 H ASN 43 H ASN 43 12.669 2.027 -12.689 320 HA ASN 43 HA ASN 43 14.288 3.705 -14.389 321 HB2 ASN 43 HB2 ASN 43 14.409 0.745 -13.665 322 HB3 ASN 43 HB3 ASN 43 15.627 1.610 -14.619 323 HD21 ASN 43 HD22 ASN 43 17.256 1.164 -13.130 324 HD22 ASN 43 HD21 ASN 43 17.355 2.037 -11.608 325 H LYS 44 H LYS 44 12.384 0.709 -14.874 326 HA LYS 44 HA LYS 44 12.578 0.411 -17.699 327 HB2 LYS 44 HB2 LYS 44 11.823 -1.254 -16.117 328 HB3 LYS 44 HB3 LYS 44 10.381 -0.293 -15.742 329 HG2 LYS 44 HG2 LYS 44 9.563 -0.539 -18.039 330 HG3 LYS 44 HG3 LYS 44 11.067 -1.368 -18.509 331 HD2 LYS 44 HD2 LYS 44 10.579 -3.182 -16.907 332 HD3 LYS 44 HD3 LYS 44 9.075 -2.362 -16.428 333 HE2 LYS 44 HE2 LYS 44 8.231 -2.559 -18.739 334 HE3 LYS 44 HE3 LYS 44 9.744 -3.340 -19.234 335 HZ1 LYS 44 HZ1 LYS 44 9.244 -5.133 -17.720 336 HZ2 LYS 44 HZ2 LYS 44 7.852 -4.403 -17.242 337 HZ3 LYS 44 HZ3 LYS 44 8.017 -4.934 -18.790 338 H ALA 45 H ALA 45 10.533 2.508 -15.637 339 HA ALA 45 HA ALA 45 8.735 3.201 -17.812 340 HB1 ALA 45 HB1 ALA 45 9.173 4.449 -15.064 341 HB2 ALA 45 HB2 ALA 45 7.858 4.877 -16.186 342 HB3 ALA 45 HB3 ALA 45 7.938 3.248 -15.500 343 H MET 46 H MET 46 11.464 4.917 -16.134 344 HA MET 46 HA MET 46 11.112 7.326 -17.583 345 HB2 MET 46 HB2 MET 46 12.654 6.556 -15.494 346 HB3 MET 46 HB3 MET 46 13.879 6.501 -16.763 347 HG2 MET 46 HG2 MET 46 12.109 8.865 -16.022 348 HG3 MET 46 HG3 MET 46 13.813 8.660 -15.598 349 HE1 MET 46 HE1 MET 46 11.246 9.137 -18.531 350 HE2 MET 46 HE2 MET 46 11.552 10.654 -17.655 351 HE3 MET 46 HE3 MET 46 12.063 10.484 -19.355 352 H ALA 47 H ALA 47 12.733 4.278 -18.364 353 HA ALA 47 HA ALA 47 14.097 5.249 -20.712 354 HB1 ALA 47 HB1 ALA 47 14.801 3.229 -19.500 355 HB2 ALA 47 HB2 ALA 47 13.235 2.464 -19.831 356 HB3 ALA 47 HB3 ALA 47 14.344 2.818 -21.170 357 H LEU 48 H LEU 48 10.873 3.727 -20.090 358 HA LEU 48 HA LEU 48 10.193 3.377 -22.831 359 HB2 LEU 48 HB2 LEU 48 8.566 3.722 -20.297 360 HB3 LEU 48 HB3 LEU 48 7.814 3.455 -21.877 361 HG LEU 48 HG LEU 48 9.914 1.574 -20.731 362 HD11 LEU 48 HD11 LEU 48 7.979 1.610 -19.229 363 HD12 LEU 48 HD12 LEU 48 6.874 1.466 -20.610 364 HD13 LEU 48 HD13 LEU 48 7.955 0.112 -20.185 365 HD21 LEU 48 HD21 LEU 48 9.579 1.502 -23.184 366 HD22 LEU 48 HD22 LEU 48 9.026 0.016 -22.378 367 HD23 LEU 48 HD23 LEU 48 7.840 1.225 -22.923 368 H ILE 49 H ILE 49 10.127 6.304 -20.769 369 HA ILE 49 HA ILE 49 8.521 7.828 -22.659 370 HB ILE 49 HB ILE 49 10.442 8.457 -20.380 371 HG12 ILE 49 HG12 ILE 49 8.386 9.841 -19.664 372 HG13 ILE 49 HG13 ILE 49 7.492 8.988 -20.928 373 HG21 ILE 49 HG21 ILE 49 9.251 10.524 -22.251 374 HG22 ILE 49 HG22 ILE 49 10.118 10.857 -20.747 375 HG23 ILE 49 HG23 ILE 49 10.988 10.096 -22.091 376 HD11 ILE 49 HD11 ILE 49 8.967 7.690 -18.604 377 HD12 ILE 49 HD12 ILE 49 7.212 7.907 -18.737 378 HD13 ILE 49 HD13 ILE 49 8.048 6.826 -19.871 379 H LYS 50 H LYS 50 12.068 7.495 -22.086 380 HA LYS 50 HA LYS 50 12.866 8.985 -24.334 381 HB2 LYS 50 HB2 LYS 50 13.963 7.467 -22.161 382 HB3 LYS 50 HB3 LYS 50 14.685 6.876 -23.657 383 HG2 LYS 50 HG2 LYS 50 16.019 8.735 -22.853 384 HG3 LYS 50 HG3 LYS 50 15.132 9.279 -24.298 385 HD2 LYS 50 HD2 LYS 50 14.931 11.022 -22.680 386 HD3 LYS 50 HD3 LYS 50 13.355 10.218 -22.681 387 HE2 LYS 50 HE2 LYS 50 13.809 9.122 -20.620 388 HE3 LYS 50 HE3 LYS 50 15.557 9.325 -20.808 389 HZ1 LYS 50 HZ1 LYS 50 14.650 10.865 -19.201 390 HZ2 LYS 50 HZ2 LYS 50 15.299 11.664 -20.485 391 HZ3 LYS 50 HZ3 LYS 50 13.665 11.533 -20.332 392 H LEU 51 H LEU 51 11.221 5.975 -24.269 393 HA LEU 51 HA LEU 51 12.219 5.200 -26.968 394 HB2 LEU 51 HB2 LEU 51 10.668 3.796 -24.769 395 HB3 LEU 51 HB3 LEU 51 10.849 3.130 -26.393 396 HG LEU 51 HG LEU 51 13.241 3.870 -24.649 397 HD11 LEU 51 HD11 LEU 51 13.403 1.447 -24.176 398 HD12 LEU 51 HD12 LEU 51 11.895 2.119 -23.536 399 HD13 LEU 51 HD13 LEU 51 11.869 1.164 -25.036 400 HD21 LEU 51 HD21 LEU 51 13.738 3.705 -27.042 401 HD22 LEU 51 HD22 LEU 51 14.429 2.329 -26.156 402 HD23 LEU 51 HD23 LEU 51 12.949 2.107 -27.111 403 H GLY 52 H GLY 52 9.801 6.879 -25.249 404 HA2 GLY 52 HA2 GLY 52 7.846 7.836 -25.757 405 HA3 GLY 52 HA3 GLY 52 8.126 7.506 -27.463 406 H GLU 53 H GLU 53 8.287 4.881 -25.239 407 HA GLU 53 HA GLU 53 5.655 3.776 -26.011 408 HB2 GLU 53 HB2 GLU 53 8.082 2.668 -24.498 409 HB3 GLU 53 HB3 GLU 53 6.643 1.702 -24.899 410 HG2 GLU 53 HG2 GLU 53 8.348 3.100 -27.013 411 HG3 GLU 53 HG3 GLU 53 8.684 1.471 -26.438 412 H TYR 54 H TYR 54 5.949 6.070 -24.524 413 HA TYR 54 HA TYR 54 5.266 6.310 -21.970 414 HB2 TYR 54 HB2 TYR 54 3.622 6.862 -24.403 415 HB3 TYR 54 HB3 TYR 54 3.287 7.673 -22.970 416 HD1 TYR 54 HD2 TYR 54 6.438 8.295 -22.495 417 HD2 TYR 54 HD1 TYR 54 3.804 8.527 -25.861 418 HE1 TYR 54 HE2 TYR 54 7.982 9.931 -23.590 419 HE2 TYR 54 HE1 TYR 54 5.435 10.006 -27.054 420 HH TYR 54 HH TYR 54 7.371 11.200 -26.879 421 H THR 55 H THR 55 3.170 4.699 -24.480 422 HA THR 55 HA THR 55 0.793 4.460 -23.049 423 HB THR 55 HB THR 55 1.925 2.276 -24.825 424 HG1 THR 55 HG1 THR 55 1.067 3.511 -26.518 425 HG21 THR 55 HG21 THR 55 -0.232 1.853 -23.643 426 HG22 THR 55 HG22 THR 55 -0.876 3.368 -24.310 427 HG23 THR 55 HG23 THR 55 -0.469 2.019 -25.400 428 H GLN 56 H GLN 56 3.697 2.603 -22.916 429 HA GLN 56 HA GLN 56 2.709 0.640 -20.946 430 HB2 GLN 56 HB2 GLN 56 5.500 1.150 -22.054 431 HB3 GLN 56 HB3 GLN 56 4.951 -0.301 -21.185 432 HG2 GLN 56 HG2 GLN 56 4.030 0.705 -23.922 433 HG3 GLN 56 HG3 GLN 56 5.072 -0.681 -23.612 434 HE21 GLN 56 HE22 GLN 56 1.808 0.589 -23.498 435 HE22 GLN 56 HE21 GLN 56 0.989 -0.943 -23.210 436 H ALA 57 H ALA 57 4.945 3.411 -21.103 437 HA ALA 57 HA ALA 57 6.014 3.311 -18.510 438 HB1 ALA 57 HB1 ALA 57 6.645 4.851 -20.436 439 HB2 ALA 57 HB2 ALA 57 5.174 5.775 -20.095 440 HB3 ALA 57 HB3 ALA 57 6.461 5.689 -18.867 441 H ILE 58 H ILE 58 2.919 4.667 -19.640 442 HA ILE 58 HA ILE 58 2.122 5.999 -17.263 443 HB ILE 58 HB ILE 58 0.564 4.604 -19.473 444 HG12 ILE 58 HG12 ILE 58 0.953 7.594 -19.260 445 HG13 ILE 58 HG13 ILE 58 2.247 6.599 -19.928 446 HG21 ILE 58 HG21 ILE 58 -0.387 6.737 -17.513 447 HG22 ILE 58 HG22 ILE 58 -1.309 6.121 -18.895 448 HG23 ILE 58 HG23 ILE 58 -0.912 5.033 -17.545 449 HD11 ILE 58 HD11 ILE 58 -0.620 6.728 -20.975 450 HD12 ILE 58 HD12 ILE 58 0.872 7.265 -21.800 451 HD13 ILE 58 HD13 ILE 58 0.587 5.549 -21.510 452 H GLN 59 H GLN 59 1.934 2.563 -18.326 453 HA GLN 59 HA GLN 59 0.254 1.731 -16.142 454 HB2 GLN 59 HB2 GLN 59 2.111 0.155 -17.960 455 HB3 GLN 59 HB3 GLN 59 0.815 -0.476 -16.929 456 HG2 GLN 59 HG2 GLN 59 0.615 1.212 -19.434 457 HG3 GLN 59 HG3 GLN 59 -0.065 -0.399 -19.122 458 HE21 GLN 59 HE22 GLN 59 -0.910 2.721 -19.543 459 HE22 GLN 59 HE21 GLN 59 -2.310 2.821 -18.484 460 H MET 60 H MET 60 3.752 1.917 -16.792 461 HA MET 60 HA MET 60 4.648 0.349 -14.536 462 HB2 MET 60 HB2 MET 60 6.018 2.637 -15.981 463 HB3 MET 60 HB3 MET 60 6.782 1.481 -14.878 464 HG2 MET 60 HG2 MET 60 5.601 0.897 -17.610 465 HG3 MET 60 HG3 MET 60 7.301 0.936 -17.157 466 HE1 MET 60 HE1 MET 60 4.338 -1.043 -17.869 467 HE2 MET 60 HE2 MET 60 4.352 -2.498 -16.838 468 HE3 MET 60 HE3 MET 60 3.882 -0.918 -16.158 469 H CYS 61 H CYS 61 4.003 3.877 -14.935 470 HA CYS 61 HA CYS 61 5.212 4.568 -12.440 471 HB2 CYS 61 HB2 CYS 61 3.193 6.003 -14.212 472 HB3 CYS 61 HB3 CYS 61 4.056 6.743 -12.845 473 HG CYS 61 HG CYS 61 5.188 7.494 -15.043 474 H GLN 62 H GLN 62 1.722 4.404 -13.380 475 HA GLN 62 HA GLN 62 0.729 4.647 -10.752 476 HB2 GLN 62 HB2 GLN 62 -1.328 3.605 -11.601 477 HB3 GLN 62 HB3 GLN 62 -0.718 4.932 -12.614 478 HG2 GLN 62 HG2 GLN 62 -0.947 3.557 -14.363 479 HG3 GLN 62 HG3 GLN 62 0.452 2.663 -13.739 480 HE21 GLN 62 HE22 GLN 62 -0.137 0.974 -11.964 481 HE22 GLN 62 HE21 GLN 62 -1.601 0.062 -12.240 482 H GLN 63 H GLN 63 2.146 1.761 -12.274 483 HA GLN 63 HA GLN 63 1.420 -0.060 -10.128 484 HB2 GLN 63 HB2 GLN 63 3.029 -0.024 -12.569 485 HB3 GLN 63 HB3 GLN 63 3.976 -0.689 -11.246 486 HG2 GLN 63 HG2 GLN 63 2.803 -2.405 -12.507 487 HG3 GLN 63 HG3 GLN 63 2.282 -2.385 -10.801 488 HE21 GLN 63 HE22 GLN 63 1.390 -1.409 -14.142 489 HE22 GLN 63 HE21 GLN 63 -0.340 -1.406 -13.844 490 H GLY 64 H GLY 64 4.404 1.942 -10.747 491 HA2 GLY 64 HA2 GLY 64 5.858 1.193 -8.534 492 HA3 GLY 64 HA3 GLY 64 5.826 2.842 -9.181 493 H LEU 65 H LEU 65 3.084 3.423 -8.676 494 HA LEU 65 HA LEU 65 3.187 4.475 -6.044 495 HB2 LEU 65 HB2 LEU 65 1.060 4.140 -8.169 496 HB3 LEU 65 HB3 LEU 65 0.612 4.748 -6.575 497 HG LEU 65 HG LEU 65 2.710 6.056 -8.343 498 HD11 LEU 65 HD11 LEU 65 0.856 7.808 -8.482 499 HD12 LEU 65 HD12 LEU 65 0.580 6.303 -9.386 500 HD13 LEU 65 HD13 LEU 65 -0.240 6.585 -7.820 501 HD21 LEU 65 HD21 LEU 65 1.410 6.760 -5.669 502 HD22 LEU 65 HD22 LEU 65 3.149 6.560 -6.021 503 HD23 LEU 65 HD23 LEU 65 2.256 7.947 -6.669 504 H ARG 66 H ARG 66 2.616 1.194 -6.826 505 HA ARG 66 HA ARG 66 0.446 0.705 -4.929 506 HB2 ARG 66 HB2 ARG 66 2.354 -0.988 -6.617 507 HB3 ARG 66 HB3 ARG 66 1.015 -1.670 -5.710 508 HG2 ARG 66 HG2 ARG 66 -0.578 -0.248 -6.970 509 HG3 ARG 66 HG3 ARG 66 0.754 0.442 -7.902 510 HD2 ARG 66 HD2 ARG 66 -0.216 -1.335 -9.179 511 HD3 ARG 66 HD3 ARG 66 1.406 -1.826 -8.675 512 HE ARG 66 HE ARG 66 -0.046 -2.919 -6.689 513 HH11 ARG 66 HH11 ARG 66 -0.638 -2.977 -10.189 514 HH12 ARG 66 HH12 ARG 66 -1.460 -4.513 -10.127 515 HH21 ARG 66 HH21 ARG 66 -1.111 -4.919 -6.662 516 HH22 ARG 66 HH22 ARG 66 -1.730 -5.612 -8.138 517 H TYR 67 H TYR 67 3.801 1.056 -5.032 518 HA TYR 67 HA TYR 67 4.279 -0.598 -2.595 519 HB2 TYR 67 HB2 TYR 67 6.246 0.241 -4.732 520 HB3 TYR 67 HB3 TYR 67 6.392 -1.086 -3.570 521 HD1 TYR 67 HD2 TYR 67 4.433 -2.905 -3.761 522 HD2 TYR 67 HD1 TYR 67 5.591 -0.182 -6.889 523 HE1 TYR 67 HE2 TYR 67 3.480 -4.447 -5.427 524 HE2 TYR 67 HE1 TYR 67 4.474 -1.637 -8.557 525 HH TYR 67 HH TYR 67 3.399 -3.634 -8.931 526 H THR 68 H THR 68 4.251 2.671 -3.695 527 HA THR 68 HA THR 68 6.529 3.586 -2.180 528 HB THR 68 HB THR 68 5.603 5.850 -2.735 529 HG1 THR 68 HG1 THR 68 3.401 5.254 -2.847 530 HG21 THR 68 HG21 THR 68 5.941 3.789 -4.943 531 HG22 THR 68 HG22 THR 68 5.879 5.550 -5.229 532 HG23 THR 68 HG23 THR 68 7.185 4.846 -4.256 533 H SER 69 H SER 69 4.252 2.104 -0.762 534 HA SER 69 HA SER 69 2.919 3.901 0.998 535 HB2 SER 69 HB2 SER 69 3.636 0.950 1.202 536 HB3 SER 69 HB3 SER 69 2.545 1.810 2.313 537 HG SER 69 HG SER 69 1.220 2.273 0.517 538 H THR 70 H THR 70 6.163 3.547 0.804 539 HA THR 70 HA THR 70 6.570 4.063 3.710 540 HB THR 70 HB THR 70 7.086 1.732 3.441 541 HG1 THR 70 HG1 THR 70 9.282 1.798 3.957 542 HG21 THR 70 HG21 THR 70 8.844 0.990 1.808 543 HG22 THR 70 HG22 THR 70 7.343 1.554 1.046 544 HG23 THR 70 HG23 THR 70 8.772 2.606 1.064 545 H ALA 71 H ALA 71 8.634 5.116 4.191 546 HA ALA 71 HA ALA 71 8.910 7.342 2.384 547 HB1 ALA 71 HB1 ALA 71 10.345 8.269 4.133 548 HB2 ALA 71 HB2 ALA 71 8.867 7.586 4.841 549 HB3 ALA 71 HB3 ALA 71 10.401 6.694 4.959 550 H GLU 72 H GLU 72 10.631 4.319 2.516 551 HA GLU 72 HA GLU 72 13.115 5.376 1.431 552 HB2 GLU 72 HB2 GLU 72 13.490 3.009 0.773 553 HB3 GLU 72 HB3 GLU 72 13.100 3.186 2.490 554 HG2 GLU 72 HG2 GLU 72 10.714 2.623 1.925 555 HG3 GLU 72 HG3 GLU 72 11.221 2.285 0.276 556 H HIS 73 H HIS 73 9.937 5.106 0.266 557 HA HIS 73 HA HIS 73 10.850 4.913 -2.561 558 HB2 HIS 73 HB2 HIS 73 8.357 3.890 -1.168 559 HB3 HIS 73 HB3 HIS 73 8.522 3.993 -2.926 560 HD2 HIS 73 HD2 HIS 73 11.849 3.007 -2.187 561 HE1 HIS 73 HE1 HIS 73 9.797 -0.717 -2.022 562 HE2 HIS 73 HE2 HIS 73 12.087 0.395 -2.213 563 H VAL 74 H VAL 74 9.791 7.133 -0.321 564 HA VAL 74 HA VAL 74 7.665 8.441 -1.682 565 HB VAL 74 HB VAL 74 8.353 8.851 0.669 566 HG11 VAL 74 HG11 VAL 74 10.638 10.493 -0.509 567 HG12 VAL 74 HG12 VAL 74 10.244 10.264 1.203 568 HG13 VAL 74 HG13 VAL 74 10.846 8.894 0.243 569 HG21 VAL 74 HG21 VAL 74 6.994 10.473 -0.643 570 HG22 VAL 74 HG22 VAL 74 8.012 11.280 0.589 571 HG23 VAL 74 HG23 VAL 74 8.498 11.293 -1.130 572 H ALA 75 H ALA 75 11.170 8.572 -2.053 573 HA ALA 75 HA ALA 75 11.430 10.821 -3.770 574 HB1 ALA 75 HB1 ALA 75 12.937 8.178 -3.821 575 HB2 ALA 75 HB2 ALA 75 13.490 9.734 -4.496 576 HB3 ALA 75 HB3 ALA 75 13.297 9.547 -2.730 577 H ILE 76 H ILE 76 10.537 7.416 -4.408 578 HA ILE 76 HA ILE 76 10.456 7.849 -7.284 579 HB ILE 76 HB ILE 76 9.502 5.535 -5.558 580 HG12 ILE 76 HG12 ILE 76 12.157 6.539 -6.399 581 HG13 ILE 76 HG13 ILE 76 11.742 5.313 -5.192 582 HG21 ILE 76 HG21 ILE 76 9.868 6.033 -8.540 583 HG22 ILE 76 HG22 ILE 76 9.713 4.403 -7.872 584 HG23 ILE 76 HG23 ILE 76 8.386 5.555 -7.670 585 HD11 ILE 76 HD11 ILE 76 13.139 4.593 -7.132 586 HD12 ILE 76 HD12 ILE 76 11.542 3.753 -7.149 587 HD13 ILE 76 HD13 ILE 76 11.845 5.190 -8.211 588 H ARG 77 H ARG 77 8.161 7.841 -4.561 589 HA ARG 77 HA ARG 77 5.765 7.723 -6.090 590 HB2 ARG 77 HB2 ARG 77 6.046 7.698 -3.520 591 HB3 ARG 77 HB3 ARG 77 6.242 9.459 -3.646 592 HG2 ARG 77 HG2 ARG 77 4.011 9.257 -5.103 593 HG3 ARG 77 HG3 ARG 77 3.813 7.748 -4.177 594 HD2 ARG 77 HD2 ARG 77 4.206 9.050 -2.074 595 HD3 ARG 77 HD3 ARG 77 4.296 10.522 -3.054 596 HE ARG 77 HE ARG 77 1.971 10.484 -3.368 597 HH11 ARG 77 HH11 ARG 77 3.037 7.546 -1.725 598 HH12 ARG 77 HH12 ARG 77 1.412 7.056 -1.293 599 HH21 ARG 77 HH21 ARG 77 -0.131 9.823 -2.804 600 HH22 ARG 77 HH22 ARG 77 -0.373 8.346 -1.901 601 H SER 78 H SER 78 8.189 10.140 -5.626 602 HA SER 78 HA SER 78 6.654 12.286 -6.930 603 HB2 SER 78 HB2 SER 78 8.473 12.568 -5.098 604 HB3 SER 78 HB3 SER 78 9.640 12.065 -6.308 605 HG SER 78 HG SER 78 9.399 14.353 -6.197 606 H LYS 79 H LYS 79 8.897 9.645 -7.911 607 HA LYS 79 HA LYS 79 9.424 11.046 -10.428 608 HB2 LYS 79 HB2 LYS 79 10.193 8.346 -9.278 609 HB3 LYS 79 HB3 LYS 79 10.544 8.811 -10.964 610 HG2 LYS 79 HG2 LYS 79 11.660 10.850 -10.223 611 HG3 LYS 79 HG3 LYS 79 11.342 10.451 -8.520 612 HD2 LYS 79 HD2 LYS 79 12.745 8.447 -8.725 613 HD3 LYS 79 HD3 LYS 79 12.997 8.789 -10.465 614 HE2 LYS 79 HE2 LYS 79 13.899 11.009 -9.862 615 HE3 LYS 79 HE3 LYS 79 13.724 10.607 -8.137 616 HZ1 LYS 79 HZ1 LYS 79 15.953 10.148 -8.796 617 HZ2 LYS 79 HZ2 LYS 79 15.193 8.697 -8.566 618 HZ3 LYS 79 HZ3 LYS 79 15.467 9.242 -10.081 619 H LEU 80 H LEU 80 7.413 8.272 -9.352 620 HA LEU 80 HA LEU 80 6.693 7.330 -11.905 621 HB2 LEU 80 HB2 LEU 80 5.205 7.540 -9.257 622 HB3 LEU 80 HB3 LEU 80 4.433 6.831 -10.664 623 HG LEU 80 HG LEU 80 5.455 4.876 -10.349 624 HD11 LEU 80 HD11 LEU 80 8.110 6.226 -9.927 625 HD12 LEU 80 HD12 LEU 80 7.774 4.470 -10.041 626 HD13 LEU 80 HD13 LEU 80 7.463 5.505 -11.436 627 HD21 LEU 80 HD21 LEU 80 4.868 5.372 -8.064 628 HD22 LEU 80 HD22 LEU 80 6.419 4.500 -8.071 629 HD23 LEU 80 HD23 LEU 80 6.375 6.259 -7.807 630 H GLN 81 H GLN 81 5.389 10.013 -10.022 631 HA GLN 81 HA GLN 81 3.126 10.604 -11.663 632 HB2 GLN 81 HB2 GLN 81 4.610 11.559 -9.268 633 HB3 GLN 81 HB3 GLN 81 3.555 12.760 -10.006 634 HG2 GLN 81 HG2 GLN 81 2.503 11.361 -8.239 635 HG3 GLN 81 HG3 GLN 81 1.644 11.276 -9.811 636 HE21 GLN 81 HE22 GLN 81 4.004 9.557 -7.714 637 HE22 GLN 81 HE21 GLN 81 3.596 7.960 -8.293 638 H TYR 82 H TYR 82 6.497 11.477 -11.834 639 HA TYR 82 HA TYR 82 6.008 13.962 -13.279 640 HB2 TYR 82 HB2 TYR 82 8.003 13.728 -11.927 641 HB3 TYR 82 HB3 TYR 82 8.472 12.262 -12.812 642 HD1 TYR 82 HD1 TYR 82 9.093 12.381 -15.214 643 HD2 TYR 82 HD2 TYR 82 8.523 15.913 -12.851 644 HE1 TYR 82 HE1 TYR 82 10.590 13.636 -16.761 645 HE2 TYR 82 HE2 TYR 82 9.948 17.206 -14.426 646 HH TYR 82 HH TYR 82 11.503 15.666 -17.267 647 H ARG 83 H ARG 83 6.827 10.587 -14.165 648 HA ARG 83 HA ARG 83 6.778 11.437 -17.032 649 HB2 ARG 83 HB2 ARG 83 8.100 9.630 -17.625 650 HB3 ARG 83 HB3 ARG 83 8.913 10.438 -16.301 651 HG2 ARG 83 HG2 ARG 83 7.197 7.972 -15.867 652 HG3 ARG 83 HG3 ARG 83 8.907 7.862 -16.307 653 HD2 ARG 83 HD2 ARG 83 7.940 9.465 -13.936 654 HD3 ARG 83 HD3 ARG 83 8.394 7.756 -13.823 655 HE ARG 83 HE ARG 83 10.227 9.994 -14.652 656 HH11 ARG 83 HH11 ARG 83 9.751 6.822 -13.156 657 HH12 ARG 83 HH12 ARG 83 11.409 6.730 -12.598 658 HH21 ARG 83 HH21 ARG 83 12.345 9.853 -13.853 659 HH22 ARG 83 HH22 ARG 83 12.867 8.424 -13.003 660 H LEU 84 H LEU 84 4.907 10.247 -14.656 661 HA LEU 84 HA LEU 84 3.099 8.672 -16.375 662 HB2 LEU 84 HB2 LEU 84 3.119 8.237 -13.950 663 HB3 LEU 84 HB3 LEU 84 2.863 9.915 -13.589 664 HG LEU 84 HG LEU 84 0.600 9.846 -14.555 665 HD11 LEU 84 HD11 LEU 84 0.915 8.047 -16.227 666 HD12 LEU 84 HD12 LEU 84 1.175 6.868 -14.917 667 HD13 LEU 84 HD13 LEU 84 -0.409 7.658 -15.107 668 HD21 LEU 84 HD21 LEU 84 1.218 7.686 -12.507 669 HD22 LEU 84 HD22 LEU 84 1.066 9.426 -12.180 670 HD23 LEU 84 HD23 LEU 84 -0.346 8.495 -12.738 671 H GLU 85 H GLU 85 3.769 12.020 -15.534 672 HA GLU 85 HA GLU 85 1.111 12.911 -16.446 673 HB2 GLU 85 HB2 GLU 85 1.558 14.930 -15.493 674 HB3 GLU 85 HB3 GLU 85 2.517 13.849 -14.454 675 HG2 GLU 85 HG2 GLU 85 4.544 14.442 -15.674 676 HG3 GLU 85 HG3 GLU 85 3.603 15.435 -16.796 677 H LEU 86 H LEU 86 4.127 12.250 -17.908 678 HA LEU 86 HA LEU 86 3.571 14.263 -20.033 679 HB2 LEU 86 HB2 LEU 86 5.843 14.462 -20.389 680 HB3 LEU 86 HB3 LEU 86 5.757 14.191 -18.629 681 HG LEU 86 HG LEU 86 6.164 11.682 -19.260 682 HD11 LEU 86 HD11 LEU 86 7.547 11.408 -21.271 683 HD12 LEU 86 HD12 LEU 86 5.984 12.066 -21.788 684 HD13 LEU 86 HD13 LEU 86 7.378 13.140 -21.663 685 HD21 LEU 86 HD21 LEU 86 7.691 13.159 -18.002 686 HD22 LEU 86 HD22 LEU 86 8.585 12.105 -19.122 687 HD23 LEU 86 HD23 LEU 86 8.313 13.820 -19.525 688 H ALA 87 H ALA 87 4.373 10.803 -19.473 689 HA ALA 87 HA ALA 87 4.635 9.931 -22.055 690 HB1 ALA 87 HB1 ALA 87 3.419 8.657 -19.562 691 HB2 ALA 87 HB2 ALA 87 3.924 7.740 -20.993 692 HB3 ALA 87 HB3 ALA 87 5.126 8.641 -20.031 693 H GLN 88 H GLN 88 1.585 9.726 -20.051 694 HA GLN 88 HA GLN 88 -0.052 8.970 -22.222 695 HB2 GLN 88 HB2 GLN 88 -1.919 9.711 -20.850 696 HB3 GLN 88 HB3 GLN 88 -0.809 8.563 -20.043 697 HG2 GLN 88 HG2 GLN 88 0.243 10.398 -18.830 698 HG3 GLN 88 HG3 GLN 88 -0.878 11.567 -19.555 699 HE21 GLN 88 HE22 GLN 88 -0.319 9.893 -16.789 700 HE22 GLN 88 HE21 GLN 88 -1.949 9.624 -16.212 701 H GLY 89 H GLY 89 1.179 12.090 -21.336 702 HA2 GLY 89 HA2 GLY 89 -0.804 13.620 -22.835 703 HA3 GLY 89 HA3 GLY 89 0.685 14.217 -22.061 704 H ALA 90 H ALA 90 1.505 11.502 -23.779 705 HA ALA 90 HA ALA 90 1.983 12.883 -26.357 706 HB1 ALA 90 HB1 ALA 90 4.012 12.951 -24.999 707 HB2 ALA 90 HB2 ALA 90 3.923 11.191 -24.754 708 HB3 ALA 90 HB3 ALA 90 4.206 11.858 -26.391 709 H VAL 91 H VAL 91 0.292 10.554 -24.865 710 HA VAL 91 HA VAL 91 0.633 8.376 -26.912 711 HB VAL 91 HB VAL 91 -0.181 8.470 -24.036 712 HG11 VAL 91 HG11 VAL 91 0.062 5.961 -24.163 713 HG12 VAL 91 HG12 VAL 91 -1.495 6.566 -24.857 714 HG13 VAL 91 HG13 VAL 91 -0.133 6.051 -25.910 715 HG21 VAL 91 HG21 VAL 91 2.155 8.568 -24.690 716 HG22 VAL 91 HG22 VAL 91 1.664 7.096 -23.782 717 HG23 VAL 91 HG23 VAL 91 1.938 7.017 -25.567 718 H GLY 92 H GLY 92 -1.510 10.236 -24.884 719 HA2 GLY 92 HA2 GLY 92 -3.898 9.318 -26.410 720 HA3 GLY 92 HA3 GLY 92 -3.862 9.515 -24.643 721 H SER 93 H SER 93 -2.069 11.902 -26.347 722 HA SER 93 HA SER 93 -4.318 13.815 -26.489 723 HB2 SER 93 HB2 SER 93 -1.730 14.289 -24.947 724 HB3 SER 93 HB3 SER 93 -3.006 15.495 -25.218 725 HG SER 93 HG SER 93 -3.213 14.482 -23.185 726 H VAL 94 H VAL 94 -2.452 12.335 -28.308 727 HA VAL 94 HA VAL 94 -1.646 14.689 -29.933 728 HB VAL 94 HB VAL 94 0.104 12.244 -29.471 729 HG11 VAL 94 HG11 VAL 94 0.285 13.135 -31.768 730 HG12 VAL 94 HG12 VAL 94 0.520 14.777 -31.122 731 HG13 VAL 94 HG13 VAL 94 1.743 13.519 -30.830 732 HG21 VAL 94 HG21 VAL 94 0.139 13.765 -27.541 733 HG22 VAL 94 HG22 VAL 94 1.661 13.906 -28.443 734 HG23 VAL 94 HG23 VAL 94 0.414 15.158 -28.622 735 H GLN 95 H GLN 95 -3.222 14.508 -31.381 736 HA GLN 95 HA GLN 95 -3.385 12.047 -33.017 737 HB2 GLN 95 HB2 GLN 95 -5.838 11.996 -32.766 738 HB3 GLN 95 HB3 GLN 95 -5.004 11.768 -31.214 739 HG2 GLN 95 HG2 GLN 95 -5.295 14.351 -30.920 740 HG3 GLN 95 HG3 GLN 95 -6.513 14.202 -32.192 741 HE21 GLN 95 HE22 GLN 95 -5.557 13.289 -28.904 742 HE22 GLN 95 HE21 GLN 95 -7.140 12.749 -28.377 743 H ILE 96 H ILE 96 -2.698 15.128 -33.038 744 HA ILE 96 HA ILE 96 -3.769 15.547 -35.754 745 HB ILE 96 HB ILE 96 -4.217 17.941 -35.217 746 HG12 ILE 96 HG12 ILE 96 -3.902 17.031 -32.319 747 HG13 ILE 96 HG13 ILE 96 -2.774 18.076 -33.185 748 HG21 ILE 96 HG21 ILE 96 -6.387 17.557 -34.209 749 HG22 ILE 96 HG22 ILE 96 -6.002 16.212 -35.300 750 HG23 ILE 96 HG23 ILE 96 -5.846 16.002 -33.541 751 HD11 ILE 96 HD11 ILE 96 -5.676 18.718 -32.523 752 HD12 ILE 96 HD12 ILE 96 -4.220 19.446 -31.823 753 HD13 ILE 96 HD13 ILE 96 -4.612 19.733 -33.532 754 HA PRO 97 HA PRO 97 0.727 16.892 -34.765 755 HB2 PRO 97 HB2 PRO 97 2.238 14.799 -35.656 756 HB3 PRO 97 HB3 PRO 97 1.570 14.856 -33.995 757 HG2 PRO 97 HG2 PRO 97 0.395 13.460 -36.415 758 HG3 PRO 97 HG3 PRO 97 0.683 12.779 -34.773 759 HD2 PRO 97 HD2 PRO 97 -1.755 13.730 -35.486 760 HD3 PRO 97 HD3 PRO 97 -1.090 14.028 -33.849 761 H VAL 98 H VAL 98 2.478 17.246 -36.429 762 HA VAL 98 HA VAL 98 1.319 17.825 -39.037 763 HB VAL 98 HB VAL 98 4.194 18.131 -38.132 764 HG11 VAL 98 HG11 VAL 98 2.534 19.536 -40.277 765 HG12 VAL 98 HG12 VAL 98 4.221 19.917 -39.859 766 HG13 VAL 98 HG13 VAL 98 3.823 18.351 -40.585 767 HG21 VAL 98 HG21 VAL 98 2.715 19.340 -36.565 768 HG22 VAL 98 HG22 VAL 98 3.562 20.487 -37.610 769 HG23 VAL 98 HG23 VAL 98 1.865 20.089 -37.939 770 H VAL 99 H VAL 99 0.824 15.398 -39.077 771 HA VAL 99 HA VAL 99 2.888 13.552 -39.649 772 HB VAL 99 HB VAL 99 0.547 13.313 -38.587 773 HG11 VAL 99 HG11 VAL 99 -0.365 13.123 -41.479 774 HG12 VAL 99 HG12 VAL 99 -1.343 12.886 -40.013 775 HG13 VAL 99 HG13 VAL 99 -0.678 14.492 -40.389 776 HG21 VAL 99 HG21 VAL 99 1.971 11.434 -39.076 777 HG22 VAL 99 HG22 VAL 99 0.251 11.041 -39.325 778 HG23 VAL 99 HG23 VAL 99 1.312 11.326 -40.738 779 H GLU 100 H GLU 100 2.867 15.862 -41.346 780 HA GLU 100 HA GLU 100 1.935 15.545 -43.946 781 HB2 GLU 100 HB2 GLU 100 2.915 17.591 -42.988 782 HB3 GLU 100 HB3 GLU 100 4.521 16.812 -42.933 783 HG2 GLU 100 HG2 GLU 100 4.658 16.659 -45.296 784 HG3 GLU 100 HG3 GLU 100 2.938 17.103 -45.417 785 H VAL 101 H VAL 101 2.703 14.725 -45.805 786 HA VAL 101 HA VAL 101 5.255 13.194 -45.834 787 HB VAL 101 HB VAL 101 2.642 12.191 -47.003 788 HG11 VAL 101 HG11 VAL 101 5.411 10.932 -46.772 789 HG12 VAL 101 HG12 VAL 101 3.961 10.127 -47.406 790 HG13 VAL 101 HG13 VAL 101 4.646 11.513 -48.273 791 HG21 VAL 101 HG21 VAL 101 2.586 12.001 -44.562 792 HG22 VAL 101 HG22 VAL 101 2.804 10.395 -45.292 793 HG23 VAL 101 HG23 VAL 101 4.192 11.233 -44.564 794 H ASP 102 H ASP 102 6.440 13.724 -47.577 795 HA ASP 102 HA ASP 102 5.201 14.692 -50.036 796 HB2 ASP 102 HB2 ASP 102 5.258 16.684 -48.543 797 HB3 ASP 102 HB3 ASP 102 6.994 16.473 -48.324 798 H GLU 103 H GLU 103 6.799 12.454 -49.130 799 HA GLU 103 HA GLU 103 8.953 12.568 -51.125 800 HB2 GLU 103 HB2 GLU 103 10.118 13.427 -49.200 801 HB3 GLU 103 HB3 GLU 103 9.456 12.158 -48.147 802 HG2 GLU 103 HG2 GLU 103 10.865 10.507 -49.191 803 HG3 GLU 103 HG3 GLU 103 11.305 11.663 -50.483 804 H LEU 104 H LEU 104 10.029 10.447 -51.262 805 HA LEU 104 HA LEU 104 8.475 8.216 -51.736 806 HB2 LEU 104 HB2 LEU 104 11.305 8.739 -50.877 807 HB3 LEU 104 HB3 LEU 104 10.782 7.073 -51.292 808 HG LEU 104 HG LEU 104 10.137 9.096 -53.353 809 HD11 LEU 104 HD11 LEU 104 12.950 8.007 -52.851 810 HD12 LEU 104 HD12 LEU 104 12.421 8.868 -54.312 811 HD13 LEU 104 HD13 LEU 104 12.486 9.723 -52.750 812 HD21 LEU 104 HD21 LEU 104 9.589 6.649 -53.350 813 HD22 LEU 104 HD22 LEU 104 10.781 7.009 -54.636 814 HD23 LEU 104 HD23 LEU 104 11.298 6.307 -53.068 815 HA PRO 105 HA PRO 105 7.629 5.785 -48.137 816 HB2 PRO 105 HB2 PRO 105 9.617 3.873 -49.409 817 HB3 PRO 105 HB3 PRO 105 8.024 3.488 -48.680 818 HG2 PRO 105 HG2 PRO 105 8.160 3.672 -51.334 819 HG3 PRO 105 HG3 PRO 105 6.872 4.614 -50.492 820 HD2 PRO 105 HD2 PRO 105 9.611 5.581 -51.379 821 HD3 PRO 105 HD3 PRO 105 8.056 6.358 -51.730 822 H GLU 106 H GLU 106 8.598 4.807 -46.217 823 HA GLU 106 HA GLU 106 10.833 6.373 -45.286 824 HB2 GLU 106 HB2 GLU 106 10.374 5.253 -43.137 825 HB3 GLU 106 HB3 GLU 106 8.882 5.856 -43.876 826 HG2 GLU 106 HG2 GLU 106 8.380 3.582 -44.734 827 HG3 GLU 106 HG3 GLU 106 9.872 2.976 -44.000 828 H GLY 107 H GLY 107 11.203 4.082 -47.391 829 HA2 GLY 107 HA2 GLY 107 13.801 3.269 -46.551 830 HA3 GLY 107 HA3 GLY 107 12.644 1.973 -46.197 831 H TYR 108 H TYR 108 12.521 4.243 -49.074 832 HA TYR 108 HA TYR 108 11.963 2.308 -50.927 833 HB2 TYR 108 HB2 TYR 108 11.909 4.879 -50.839 834 HB3 TYR 108 HB3 TYR 108 13.597 4.827 -51.350 835 HD1 TYR 108 HD1 TYR 108 10.139 3.861 -52.175 836 HD2 TYR 108 HD2 TYR 108 14.115 4.396 -53.705 837 HE1 TYR 108 HE1 TYR 108 9.214 4.058 -54.421 838 HE2 TYR 108 HE2 TYR 108 13.228 4.370 -56.027 839 HH TYR 108 HH TYR 108 9.714 4.130 -56.708 840 H ASP 109 H ASP 109 13.245 1.656 -52.779 841 HA ASP 109 HA ASP 109 16.137 1.845 -52.609 842 HB2 ASP 109 HB2 ASP 109 15.587 -0.192 -51.249 843 HB3 ASP 109 HB3 ASP 109 14.773 -0.887 -52.661 844 H ARG 110 H ARG 110 17.122 0.927 -54.673 845 HA ARG 110 HA ARG 110 15.622 1.959 -56.900 846 HB2 ARG 110 HB2 ARG 110 18.160 1.987 -56.399 847 HB3 ARG 110 HB3 ARG 110 18.179 0.358 -57.098 848 HG2 ARG 110 HG2 ARG 110 17.115 1.294 -59.175 849 HG3 ARG 110 HG3 ARG 110 17.157 2.911 -58.436 850 HD2 ARG 110 HD2 ARG 110 19.568 1.129 -58.967 851 HD3 ARG 110 HD3 ARG 110 19.057 2.481 -60.003 852 HE ARG 110 HE ARG 110 19.332 3.555 -57.439 853 HH11 ARG 110 HH11 ARG 110 21.422 1.934 -59.786 854 HH12 ARG 110 HH12 ARG 110 22.857 2.790 -59.272 855 HH21 ARG 110 HH21 ARG 110 21.232 4.643 -56.782 856 HH22 ARG 110 HH22 ARG 110 22.755 4.299 -57.568 857 H SER 111 H SER 111 15.201 -0.946 -55.380 858 HA SER 111 HA SER 111 14.112 -2.200 -57.819 859 HB2 SER 111 HB2 SER 111 16.449 -3.018 -57.611 860 HB3 SER 111 HB3 SER 111 16.086 -3.602 -55.973 861 HG SER 111 HG SER 111 15.841 -5.232 -57.580 862 H1 ALA 701 H1 ALA 701 21.572 21.661 -14.952 863 H2 ALA 701 H2 ALA 701 22.115 20.309 -15.718 864 H3 ALA 701 H3 ALA 701 22.224 20.430 -14.076 865 HA ALA 701 HA ALA 701 19.741 20.316 -15.627 866 HB1 ALA 701 HB1 ALA 701 19.429 18.088 -14.662 867 HB2 ALA 701 HB2 ALA 701 20.942 18.148 -15.583 868 HB3 ALA 701 HB3 ALA 701 20.981 18.212 -13.805 869 H ASP 702 H ASP 702 17.957 19.494 -13.977 870 HA ASP 702 HA ASP 702 18.162 20.806 -11.357 871 HB2 ASP 702 HB2 ASP 702 17.479 22.567 -13.016 872 HB3 ASP 702 HB3 ASP 702 16.061 21.594 -13.418 873 H THR 703 H THR 703 17.928 18.054 -12.445 874 HA THR 703 HA THR 703 15.346 17.210 -11.211 875 HB THR 703 HB THR 703 15.134 15.623 -13.182 876 HG1 THR 703 HG1 THR 703 16.166 16.334 -15.088 877 HG21 THR 703 HG21 THR 703 14.111 17.185 -14.725 878 HG22 THR 703 HG22 THR 703 13.595 17.484 -13.047 879 HG23 THR 703 HG23 THR 703 14.792 18.566 -13.816 880 H GLU 704 H GLU 704 15.228 15.197 -10.573 881 HA GLU 704 HA GLU 704 17.357 13.246 -11.280 882 HB2 GLU 704 HB2 GLU 704 16.859 12.073 -9.170 883 HB3 GLU 704 HB3 GLU 704 17.475 13.705 -8.866 884 HG2 GLU 704 HG2 GLU 704 15.172 14.528 -8.534 885 HG3 GLU 704 HG3 GLU 704 14.534 12.916 -8.884 886 H MET 705 H MET 705 14.399 14.478 -11.861 887 HA MET 705 HA MET 705 12.619 12.256 -11.946 888 HB2 MET 705 HB2 MET 705 12.676 14.768 -13.693 889 HB3 MET 705 HB3 MET 705 11.240 13.852 -13.248 890 HG2 MET 705 HG2 MET 705 12.838 15.194 -11.071 891 HG3 MET 705 HG3 MET 705 11.876 16.193 -12.160 892 HE1 MET 705 HE1 MET 705 11.797 12.996 -10.272 893 HE2 MET 705 HE2 MET 705 10.110 12.764 -9.719 894 HE3 MET 705 HE3 MET 705 10.511 12.594 -11.446 895 H GLU 706 H GLU 706 15.114 13.566 -13.943 896 HA GLU 706 HA GLU 706 14.289 12.038 -16.343 897 HB2 GLU 706 HB2 GLU 706 14.285 14.475 -16.510 898 HB3 GLU 706 HB3 GLU 706 15.956 14.577 -15.996 899 HG2 GLU 706 HG2 GLU 706 16.655 13.370 -18.072 900 HG3 GLU 706 HG3 GLU 706 14.943 13.130 -18.493 901 H GLU 707 H GLU 707 15.638 11.185 -13.847 902 HA GLU 707 HA GLU 707 17.911 9.761 -15.092 903 HB2 GLU 707 HB2 GLU 707 18.743 11.668 -13.701 904 HB3 GLU 707 HB3 GLU 707 17.945 10.950 -12.282 905 HG2 GLU 707 HG2 GLU 707 19.372 8.992 -12.407 906 HG3 GLU 707 HG3 GLU 707 19.973 9.474 -14.001 907 H VAL 708 H VAL 708 18.417 7.775 -13.553 908 HA VAL 708 HA VAL 708 15.910 6.382 -13.553 909 HB VAL 708 HB VAL 708 17.078 4.435 -13.371 910 HG11 VAL 708 HG11 VAL 708 18.948 6.368 -14.759 911 HG12 VAL 708 HG12 VAL 708 18.808 4.617 -15.021 912 HG13 VAL 708 HG13 VAL 708 17.430 5.676 -15.423 913 HG21 VAL 708 HG21 VAL 708 19.460 5.998 -12.286 914 HG22 VAL 708 HG22 VAL 708 18.472 4.792 -11.405 915 HG23 VAL 708 HG23 VAL 708 19.484 4.285 -12.769 916 H ASP 709 H ASP 709 16.140 4.493 -11.525 917 HA ASP 709 HA ASP 709 14.865 4.196 -9.710 918 HB2 ASP 709 HB2 ASP 709 15.989 4.849 -7.576 919 HB3 ASP 709 HB3 ASP 709 16.883 3.838 -8.679 Start of MODEL 7 1 H1 SER 2 H1 SER 2 23.977 -6.624 -1.675 2 H2 SER 2 H2 SER 2 24.000 -8.224 -2.051 3 H3 SER 2 H3 SER 2 22.585 -7.383 -2.112 4 HA SER 2 HA SER 2 23.376 -6.028 -3.900 5 HB2 SER 2 HB2 SER 2 25.750 -6.102 -3.245 6 HB3 SER 2 HB3 SER 2 25.838 -7.807 -3.738 7 HG SER 2 HG SER 2 25.397 -7.186 -5.838 8 H GLN 3 H GLN 3 21.422 -7.116 -4.477 9 HA GLN 3 HA GLN 3 21.834 -9.260 -6.468 10 HB2 GLN 3 HB2 GLN 3 20.010 -9.403 -4.032 11 HB3 GLN 3 HB3 GLN 3 19.749 -10.410 -5.462 12 HG2 GLN 3 HG2 GLN 3 22.321 -10.416 -3.835 13 HG3 GLN 3 HG3 GLN 3 20.994 -11.554 -3.629 14 HE21 GLN 3 HE22 GLN 3 23.818 -10.797 -5.488 15 HE22 GLN 3 HE21 GLN 3 23.695 -12.130 -6.617 16 H PHE 4 H PHE 4 21.058 -6.256 -6.312 17 HA PHE 4 HA PHE 4 18.730 -6.364 -8.110 18 HB2 PHE 4 HB2 PHE 4 17.602 -6.430 -5.948 19 HB3 PHE 4 HB3 PHE 4 18.679 -5.205 -5.289 20 HD1 PHE 4 HD1 PHE 4 18.479 -2.769 -6.058 21 HD2 PHE 4 HD2 PHE 4 15.650 -5.823 -7.191 22 HE1 PHE 4 HE1 PHE 4 16.801 -1.042 -6.528 23 HE2 PHE 4 HE2 PHE 4 13.987 -4.070 -7.697 24 HZ PHE 4 HZ PHE 4 14.567 -1.664 -7.389 25 H GLU 5 H GLU 5 20.937 -4.605 -5.997 26 HA GLU 5 HA GLU 5 21.015 -2.083 -7.022 27 HB2 GLU 5 HB2 GLU 5 23.238 -3.943 -6.137 28 HB3 GLU 5 HB3 GLU 5 23.412 -2.200 -6.274 29 HG2 GLU 5 HG2 GLU 5 21.571 -1.839 -4.670 30 HG3 GLU 5 HG3 GLU 5 21.362 -3.585 -4.489 31 H LYS 6 H LYS 6 22.751 -5.029 -8.450 32 HA LYS 6 HA LYS 6 24.288 -3.198 -10.063 33 HB2 LYS 6 HB2 LYS 6 24.042 -6.150 -9.692 34 HB3 LYS 6 HB3 LYS 6 24.631 -5.604 -11.268 35 HG2 LYS 6 HG2 LYS 6 26.526 -5.947 -9.809 36 HG3 LYS 6 HG3 LYS 6 26.355 -4.217 -10.184 37 HD2 LYS 6 HD2 LYS 6 25.339 -3.798 -7.990 38 HD3 LYS 6 HD3 LYS 6 25.351 -5.545 -7.630 39 HE2 LYS 6 HE2 LYS 6 27.819 -5.555 -7.848 40 HE3 LYS 6 HE3 LYS 6 27.799 -3.816 -8.185 41 HZ1 LYS 6 HZ1 LYS 6 26.865 -3.464 -6.006 42 HZ2 LYS 6 HZ2 LYS 6 26.849 -5.085 -5.703 43 HZ3 LYS 6 HZ3 LYS 6 28.279 -4.293 -5.875 44 H GLN 7 H GLN 7 21.473 -5.341 -10.506 45 HA GLN 7 HA GLN 7 21.038 -4.964 -13.245 46 HB2 GLN 7 HB2 GLN 7 19.150 -5.359 -10.899 47 HB3 GLN 7 HB3 GLN 7 18.731 -5.691 -12.594 48 HG2 GLN 7 HG2 GLN 7 21.130 -7.017 -11.223 49 HG3 GLN 7 HG3 GLN 7 19.501 -7.647 -11.084 50 HE21 GLN 7 HE22 GLN 7 18.910 -9.122 -12.571 51 HE22 GLN 7 HE21 GLN 7 19.562 -9.226 -14.196 52 H LYS 8 H LYS 8 20.891 -2.658 -10.669 53 HA LYS 8 HA LYS 8 18.905 -0.900 -12.031 54 HB2 LYS 8 HB2 LYS 8 18.513 -1.566 -9.730 55 HB3 LYS 8 HB3 LYS 8 20.137 -1.062 -9.265 56 HG2 LYS 8 HG2 LYS 8 19.558 1.304 -9.831 57 HG3 LYS 8 HG3 LYS 8 17.922 0.757 -10.310 58 HD2 LYS 8 HD2 LYS 8 17.772 1.442 -7.976 59 HD3 LYS 8 HD3 LYS 8 17.700 -0.326 -8.080 60 HE2 LYS 8 HE2 LYS 8 19.173 0.230 -6.263 61 HE3 LYS 8 HE3 LYS 8 20.136 -0.416 -7.584 62 HZ1 LYS 8 HZ1 LYS 8 21.085 1.597 -6.574 63 HZ2 LYS 8 HZ2 LYS 8 20.761 1.841 -8.164 64 HZ3 LYS 8 HZ3 LYS 8 19.770 2.470 -7.023 65 H GLU 9 H GLU 9 22.199 -1.160 -10.757 66 HA GLU 9 HA GLU 9 22.959 1.580 -11.407 67 HB2 GLU 9 HB2 GLU 9 24.477 -0.829 -10.393 68 HB3 GLU 9 HB3 GLU 9 25.143 0.822 -10.498 69 HG2 GLU 9 HG2 GLU 9 22.513 0.267 -9.101 70 HG3 GLU 9 HG3 GLU 9 24.034 0.023 -8.254 71 H GLN 10 H GLN 10 23.241 -1.635 -12.856 72 HA GLN 10 HA GLN 10 25.266 -0.875 -14.795 73 HB2 GLN 10 HB2 GLN 10 24.499 -3.304 -14.066 74 HB3 GLN 10 HB3 GLN 10 23.151 -3.033 -15.180 75 HG2 GLN 10 HG2 GLN 10 25.093 -2.319 -16.855 76 HG3 GLN 10 HG3 GLN 10 26.101 -3.267 -15.744 77 HE21 GLN 10 HE22 GLN 10 23.339 -3.321 -17.975 78 HE22 GLN 10 HE21 GLN 10 23.323 -5.054 -18.238 79 H GLY 11 H GLY 11 21.676 -1.207 -14.989 80 HA2 GLY 11 HA2 GLY 11 21.571 -0.197 -17.684 81 HA3 GLY 11 HA3 GLY 11 20.207 -0.361 -16.556 82 H ASN 12 H ASN 12 22.116 1.238 -14.626 83 HA ASN 12 HA ASN 12 20.800 3.720 -14.748 84 HB2 ASN 12 HB2 ASN 12 22.256 2.359 -12.973 85 HB3 ASN 12 HB3 ASN 12 23.539 3.432 -13.550 86 HD21 ASN 12 HD22 ASN 12 22.321 3.159 -10.898 87 HD22 ASN 12 HD21 ASN 12 21.695 4.712 -10.466 88 H SER 13 H SER 13 23.491 2.498 -16.618 89 HA SER 13 HA SER 13 23.928 5.298 -17.573 90 HB2 SER 13 HB2 SER 13 26.192 4.684 -18.148 91 HB3 SER 13 HB3 SER 13 25.884 4.365 -16.427 92 HG SER 13 HG SER 13 26.945 2.608 -17.455 93 H LEU 14 H LEU 14 23.382 1.861 -18.554 94 HA LEU 14 HA LEU 14 23.554 2.164 -21.336 95 HB2 LEU 14 HB2 LEU 14 21.658 0.544 -19.636 96 HB3 LEU 14 HB3 LEU 14 21.993 0.296 -21.342 97 HG LEU 14 HG LEU 14 23.661 -0.420 -18.990 98 HD11 LEU 14 HD11 LEU 14 23.499 -1.167 -21.893 99 HD12 LEU 14 HD12 LEU 14 24.353 -2.124 -20.631 100 HD13 LEU 14 HD13 LEU 14 22.572 -1.946 -20.560 101 HD21 LEU 14 HD21 LEU 14 25.028 0.589 -21.530 102 HD22 LEU 14 HD22 LEU 14 25.249 1.283 -19.901 103 HD23 LEU 14 HD23 LEU 14 25.797 -0.358 -20.245 104 H PHE 15 H PHE 15 21.018 3.203 -19.042 105 HA PHE 15 HA PHE 15 19.040 3.867 -21.024 106 HB2 PHE 15 HB2 PHE 15 18.257 3.517 -18.838 107 HB3 PHE 15 HB3 PHE 15 19.601 4.395 -18.118 108 HD1 PHE 15 HD1 PHE 15 16.601 5.087 -20.285 109 HD2 PHE 15 HD2 PHE 15 19.320 6.497 -17.267 110 HE1 PHE 15 HE1 PHE 15 15.191 7.094 -19.941 111 HE2 PHE 15 HE2 PHE 15 17.804 8.359 -16.756 112 HZ PHE 15 HZ PHE 15 15.779 8.732 -18.155 113 H LYS 16 H LYS 16 21.781 5.569 -19.483 114 HA LYS 16 HA LYS 16 20.862 8.123 -20.462 115 HB2 LYS 16 HB2 LYS 16 23.517 7.442 -19.161 116 HB3 LYS 16 HB3 LYS 16 22.686 9.023 -19.202 117 HG2 LYS 16 HG2 LYS 16 20.762 7.908 -17.970 118 HG3 LYS 16 HG3 LYS 16 21.797 6.472 -17.796 119 HD2 LYS 16 HD2 LYS 16 22.030 7.639 -15.813 120 HD3 LYS 16 HD3 LYS 16 23.526 7.997 -16.701 121 HE2 LYS 16 HE2 LYS 16 22.513 10.170 -17.443 122 HE3 LYS 16 HE3 LYS 16 21.026 9.753 -16.568 123 HZ1 LYS 16 HZ1 LYS 16 23.665 10.129 -15.312 124 HZ2 LYS 16 HZ2 LYS 16 22.430 11.221 -15.297 125 HZ3 LYS 16 HZ3 LYS 16 22.248 9.788 -14.537 126 H GLN 17 H GLN 17 22.480 5.575 -21.998 127 HA GLN 17 HA GLN 17 24.444 7.224 -23.461 128 HB2 GLN 17 HB2 GLN 17 23.905 4.252 -23.094 129 HB3 GLN 17 HB3 GLN 17 24.952 4.842 -24.386 130 HG2 GLN 17 HG2 GLN 17 26.257 6.151 -22.695 131 HG3 GLN 17 HG3 GLN 17 25.353 5.353 -21.411 132 HE21 GLN 17 HE22 GLN 17 25.256 2.850 -21.649 133 HE22 GLN 17 HE21 GLN 17 26.756 2.058 -22.101 134 H GLY 18 H GLY 18 21.264 5.810 -23.902 135 HA2 GLY 18 HA2 GLY 18 20.321 6.845 -26.111 136 HA3 GLY 18 HA3 GLY 18 21.663 5.840 -26.832 137 H LEU 19 H LEU 19 21.154 3.903 -24.583 138 HA LEU 19 HA LEU 19 19.385 2.328 -26.362 139 HB2 LEU 19 HB2 LEU 19 20.862 0.427 -25.486 140 HB3 LEU 19 HB3 LEU 19 21.325 1.436 -26.815 141 HG LEU 19 HG LEU 19 22.547 2.780 -24.685 142 HD11 LEU 19 HD11 LEU 19 22.716 -0.205 -24.113 143 HD12 LEU 19 HD12 LEU 19 23.511 1.099 -23.207 144 HD13 LEU 19 HD13 LEU 19 21.737 0.937 -23.170 145 HD21 LEU 19 HD21 LEU 19 23.652 2.090 -26.794 146 HD22 LEU 19 HD22 LEU 19 24.619 1.659 -25.368 147 HD23 LEU 19 HD23 LEU 19 23.678 0.408 -26.219 148 H TYR 20 H TYR 20 17.912 3.459 -25.026 149 HA TYR 20 HA TYR 20 17.343 3.136 -22.358 150 HB2 TYR 20 HB2 TYR 20 15.388 3.100 -24.675 151 HB3 TYR 20 HB3 TYR 20 15.071 3.770 -23.078 152 HD1 TYR 20 HD2 TYR 20 17.372 5.365 -22.431 153 HD2 TYR 20 HD1 TYR 20 15.511 4.789 -26.264 154 HE1 TYR 20 HE2 TYR 20 18.320 7.533 -23.220 155 HE2 TYR 20 HE1 TYR 20 16.468 6.936 -27.061 156 HH TYR 20 HH TYR 20 17.731 8.769 -26.527 157 H ARG 21 H ARG 21 16.740 0.807 -25.038 158 HA ARG 21 HA ARG 21 15.022 -0.873 -23.387 159 HB2 ARG 21 HB2 ARG 21 15.345 -0.509 -26.062 160 HB3 ARG 21 HB3 ARG 21 16.500 -1.828 -25.842 161 HG2 ARG 21 HG2 ARG 21 13.531 -1.755 -25.393 162 HG3 ARG 21 HG3 ARG 21 14.503 -2.876 -26.389 163 HD2 ARG 21 HD2 ARG 21 15.449 -3.834 -24.255 164 HD3 ARG 21 HD3 ARG 21 14.339 -2.782 -23.348 165 HE ARG 21 HE ARG 21 12.488 -4.058 -24.074 166 HH11 ARG 21 HH11 ARG 21 15.551 -5.333 -25.321 167 HH12 ARG 21 HH12 ARG 21 14.864 -6.884 -25.745 168 HH21 ARG 21 HH21 ARG 21 11.632 -6.091 -24.637 169 HH22 ARG 21 HH22 ARG 21 12.658 -7.304 -25.372 170 H GLU 22 H GLU 22 18.434 -0.861 -24.478 171 HA GLU 22 HA GLU 22 19.086 -3.342 -23.222 172 HB2 GLU 22 HB2 GLU 22 20.831 -0.943 -23.877 173 HB3 GLU 22 HB3 GLU 22 21.429 -2.570 -23.453 174 HG2 GLU 22 HG2 GLU 22 20.211 -3.485 -25.417 175 HG3 GLU 22 HG3 GLU 22 19.723 -1.851 -25.878 176 H ALA 23 H ALA 23 18.162 -0.330 -21.955 177 HA ALA 23 HA ALA 23 19.556 -0.757 -19.401 178 HB1 ALA 23 HB1 ALA 23 18.691 1.379 -18.802 179 HB2 ALA 23 HB2 ALA 23 19.219 1.508 -20.505 180 HB3 ALA 23 HB3 ALA 23 17.501 1.371 -20.123 181 H VAL 24 H VAL 24 16.129 -0.659 -20.745 182 HA VAL 24 HA VAL 24 14.917 -1.290 -18.325 183 HB VAL 24 HB VAL 24 13.065 -1.201 -19.346 184 HG11 VAL 24 HG11 VAL 24 14.277 -0.239 -21.874 185 HG12 VAL 24 HG12 VAL 24 12.824 0.293 -21.017 186 HG13 VAL 24 HG13 VAL 24 14.425 0.643 -20.312 187 HG21 VAL 24 HG21 VAL 24 12.782 -3.228 -20.121 188 HG22 VAL 24 HG22 VAL 24 12.283 -2.117 -21.409 189 HG23 VAL 24 HG23 VAL 24 13.840 -3.000 -21.554 190 H HIS 25 H HIS 25 16.156 -3.257 -20.946 191 HA HIS 25 HA HIS 25 14.918 -5.633 -20.054 192 HB2 HIS 25 HB2 HIS 25 15.961 -6.728 -21.819 193 HB3 HIS 25 HB3 HIS 25 15.808 -5.064 -22.372 194 HD2 HIS 25 HD2 HIS 25 18.543 -4.097 -20.698 195 HE1 HIS 25 HE1 HIS 25 20.463 -6.673 -23.486 196 HE2 HIS 25 HE2 HIS 25 20.818 -4.793 -21.784 197 H CYS 26 H CYS 26 17.142 -3.929 -18.433 198 HA CYS 26 HA CYS 26 18.096 -6.334 -16.941 199 HB2 CYS 26 HB2 CYS 26 19.407 -3.598 -17.246 200 HB3 CYS 26 HB3 CYS 26 19.969 -4.894 -16.170 201 HG CYS 26 HG CYS 26 21.464 -4.736 -18.313 202 H TYR 27 H TYR 27 16.701 -3.078 -16.926 203 HA TYR 27 HA TYR 27 16.093 -2.714 -14.161 204 HB2 TYR 27 HB2 TYR 27 14.649 -2.100 -16.753 205 HB3 TYR 27 HB3 TYR 27 14.115 -1.422 -15.278 206 HD1 TYR 27 HD1 TYR 27 17.527 -1.236 -14.708 207 HD2 TYR 27 HD2 TYR 27 14.478 0.393 -17.279 208 HE1 TYR 27 HE1 TYR 27 18.852 0.837 -14.982 209 HE2 TYR 27 HE2 TYR 27 15.762 2.462 -17.534 210 HH TYR 27 HH TYR 27 18.970 2.901 -15.956 211 H ASP 28 H ASP 28 14.621 -4.708 -16.726 212 HA ASP 28 HA ASP 28 12.119 -5.132 -15.502 213 HB2 ASP 28 HB2 ASP 28 12.717 -5.570 -17.869 214 HB3 ASP 28 HB3 ASP 28 13.667 -6.976 -17.348 215 H GLN 29 H GLN 29 15.314 -6.657 -14.932 216 HA GLN 29 HA GLN 29 14.124 -8.768 -13.373 217 HB2 GLN 29 HB2 GLN 29 16.999 -7.805 -13.640 218 HB3 GLN 29 HB3 GLN 29 16.484 -9.173 -12.636 219 HG2 GLN 29 HG2 GLN 29 16.898 -10.366 -14.508 220 HG3 GLN 29 HG3 GLN 29 15.248 -9.912 -14.903 221 HE21 GLN 29 HE22 GLN 29 14.928 -8.921 -16.875 222 HE22 GLN 29 HE21 GLN 29 16.201 -8.178 -17.823 223 H LEU 30 H LEU 30 14.765 -5.411 -12.702 224 HA LEU 30 HA LEU 30 15.150 -5.627 -9.840 225 HB2 LEU 30 HB2 LEU 30 13.709 -3.513 -11.481 226 HB3 LEU 30 HB3 LEU 30 14.308 -3.303 -9.825 227 HG LEU 30 HG LEU 30 15.863 -3.635 -12.368 228 HD11 LEU 30 HD11 LEU 30 15.918 -1.490 -10.215 229 HD12 LEU 30 HD12 LEU 30 16.843 -1.482 -11.732 230 HD13 LEU 30 HD13 LEU 30 15.071 -1.360 -11.778 231 HD21 LEU 30 HD21 LEU 30 17.007 -5.004 -10.667 232 HD22 LEU 30 HD22 LEU 30 17.923 -3.503 -10.927 233 HD23 LEU 30 HD23 LEU 30 16.898 -3.666 -9.492 234 H ILE 31 H ILE 31 12.364 -5.680 -12.061 235 HA ILE 31 HA ILE 31 10.431 -5.683 -9.867 236 HB ILE 31 HB ILE 31 9.948 -6.436 -12.784 237 HG12 ILE 31 HG12 ILE 31 8.976 -3.845 -12.382 238 HG13 ILE 31 HG13 ILE 31 10.518 -3.797 -11.528 239 HG21 ILE 31 HG21 ILE 31 8.329 -5.286 -10.506 240 HG22 ILE 31 HG22 ILE 31 7.689 -5.658 -12.134 241 HG23 ILE 31 HG23 ILE 31 8.266 -6.992 -11.086 242 HD11 ILE 31 HD11 ILE 31 11.690 -4.512 -13.541 243 HD12 ILE 31 HD12 ILE 31 10.144 -4.724 -14.409 244 HD13 ILE 31 HD13 ILE 31 10.667 -3.098 -13.915 245 H THR 32 H THR 32 12.041 -8.171 -11.910 246 HA THR 32 HA THR 32 10.318 -10.218 -10.726 247 HB THR 32 HB THR 32 12.910 -10.223 -12.341 248 HG1 THR 32 HG1 THR 32 11.509 -10.936 -13.977 249 HG21 THR 32 HG21 THR 32 12.580 -12.626 -12.764 250 HG22 THR 32 HG22 THR 32 12.938 -12.289 -11.068 251 HG23 THR 32 HG23 THR 32 11.257 -12.655 -11.560 252 H ALA 33 H ALA 33 13.405 -8.721 -9.834 253 HA ALA 33 HA ALA 33 13.959 -10.841 -7.903 254 HB1 ALA 33 HB1 ALA 33 15.195 -8.072 -8.281 255 HB2 ALA 33 HB2 ALA 33 15.828 -9.354 -7.228 256 HB3 ALA 33 HB3 ALA 33 15.809 -9.584 -8.994 257 H GLN 34 H GLN 34 12.358 -7.715 -8.083 258 HA GLN 34 HA GLN 34 11.350 -8.052 -5.358 259 HB2 GLN 34 HB2 GLN 34 13.535 -6.519 -5.860 260 HB3 GLN 34 HB3 GLN 34 12.342 -5.338 -6.267 261 HG2 GLN 34 HG2 GLN 34 11.381 -5.550 -3.944 262 HG3 GLN 34 HG3 GLN 34 12.555 -6.846 -3.618 263 HE21 GLN 34 HE22 GLN 34 14.839 -6.028 -4.789 264 HE22 GLN 34 HE21 GLN 34 15.347 -4.406 -4.426 265 HA PRO 35 HA PRO 35 8.331 -6.895 -8.653 266 HB2 PRO 35 HB2 PRO 35 6.486 -8.855 -7.901 267 HB3 PRO 35 HB3 PRO 35 7.792 -9.009 -9.105 268 HG2 PRO 35 HG2 PRO 35 7.716 -10.240 -6.415 269 HG3 PRO 35 HG3 PRO 35 8.724 -10.640 -7.840 270 HD2 PRO 35 HD2 PRO 35 9.573 -9.212 -5.576 271 HD3 PRO 35 HD3 PRO 35 10.445 -9.552 -7.099 272 H GLN 36 H GLN 36 8.494 -7.053 -5.403 273 HA GLN 36 HA GLN 36 6.270 -5.107 -5.126 274 HB2 GLN 36 HB2 GLN 36 7.770 -6.508 -2.884 275 HB3 GLN 36 HB3 GLN 36 6.347 -5.467 -2.708 276 HG2 GLN 36 HG2 GLN 36 5.048 -7.284 -2.891 277 HG3 GLN 36 HG3 GLN 36 5.590 -7.462 -4.572 278 HE21 GLN 36 HE22 GLN 36 7.597 -8.717 -4.944 279 HE22 GLN 36 HE21 GLN 36 8.052 -9.990 -3.820 280 H ASN 37 H ASN 37 8.444 -4.181 -6.458 281 HA ASN 37 HA ASN 37 9.246 -1.975 -4.644 282 HB2 ASN 37 HB2 ASN 37 11.483 -2.573 -4.667 283 HB3 ASN 37 HB3 ASN 37 10.980 -4.083 -5.409 284 HD21 ASN 37 HD22 ASN 37 10.884 -4.236 -7.695 285 HD22 ASN 37 HD21 ASN 37 11.981 -3.276 -8.686 286 HA PRO 38 HA PRO 38 8.120 0.309 -8.137 287 HB2 PRO 38 HB2 PRO 38 8.592 2.704 -7.198 288 HB3 PRO 38 HB3 PRO 38 7.430 1.582 -6.385 289 HG2 PRO 38 HG2 PRO 38 10.284 2.244 -5.558 290 HG3 PRO 38 HG3 PRO 38 8.818 2.119 -4.523 291 HD2 PRO 38 HD2 PRO 38 10.701 0.098 -5.025 292 HD3 PRO 38 HD3 PRO 38 9.020 -0.148 -4.430 293 H VAL 39 H VAL 39 11.571 1.252 -6.961 294 HA VAL 39 HA VAL 39 12.277 2.543 -9.261 295 HB VAL 39 HB VAL 39 14.127 2.538 -8.321 296 HG11 VAL 39 HG11 VAL 39 13.606 0.310 -6.407 297 HG12 VAL 39 HG12 VAL 39 14.847 1.603 -6.389 298 HG13 VAL 39 HG13 VAL 39 13.145 2.045 -6.226 299 HG21 VAL 39 HG21 VAL 39 14.960 1.020 -9.909 300 HG22 VAL 39 HG22 VAL 39 15.776 0.677 -8.366 301 HG23 VAL 39 HG23 VAL 39 14.476 -0.395 -8.941 302 H GLY 40 H GLY 40 11.715 -0.770 -8.791 303 HA2 GLY 40 HA2 GLY 40 12.657 -2.022 -11.199 304 HA3 GLY 40 HA3 GLY 40 11.252 -2.523 -10.342 305 H TYR 41 H TYR 41 9.394 -0.523 -10.670 306 HA TYR 41 HA TYR 41 8.759 -0.551 -13.478 307 HB2 TYR 41 HB2 TYR 41 7.658 0.887 -11.034 308 HB3 TYR 41 HB3 TYR 41 6.825 0.843 -12.555 309 HD1 TYR 41 HD1 TYR 41 6.110 -1.445 -13.499 310 HD2 TYR 41 HD2 TYR 41 7.472 -0.837 -9.483 311 HE1 TYR 41 HE1 TYR 41 5.049 -3.597 -12.831 312 HE2 TYR 41 HE2 TYR 41 6.426 -3.002 -8.789 313 HH TYR 41 HH TYR 41 4.670 -5.071 -11.129 314 H SER 42 H SER 42 10.374 1.656 -11.244 315 HA SER 42 HA SER 42 9.635 4.070 -12.642 316 HB2 SER 42 HB2 SER 42 11.949 3.740 -10.686 317 HB3 SER 42 HB3 SER 42 11.006 5.207 -11.070 318 HG SER 42 HG SER 42 9.958 2.876 -9.864 319 H ASN 43 H ASN 43 12.457 1.887 -12.725 320 HA ASN 43 HA ASN 43 14.027 3.708 -14.384 321 HB2 ASN 43 HB2 ASN 43 14.324 0.753 -13.666 322 HB3 ASN 43 HB3 ASN 43 15.510 1.723 -14.557 323 HD21 ASN 43 HD22 ASN 43 17.037 1.132 -12.906 324 HD22 ASN 43 HD21 ASN 43 17.050 2.037 -11.401 325 H LYS 44 H LYS 44 12.290 0.600 -14.858 326 HA LYS 44 HA LYS 44 12.483 0.319 -17.681 327 HB2 LYS 44 HB2 LYS 44 11.792 -1.372 -16.096 328 HB3 LYS 44 HB3 LYS 44 10.322 -0.458 -15.714 329 HG2 LYS 44 HG2 LYS 44 9.519 -0.715 -18.023 330 HG3 LYS 44 HG3 LYS 44 11.028 -1.536 -18.481 331 HD2 LYS 44 HD2 LYS 44 10.556 -3.331 -16.841 332 HD3 LYS 44 HD3 LYS 44 9.032 -2.524 -16.397 333 HE2 LYS 44 HE2 LYS 44 8.227 -2.767 -18.717 334 HE3 LYS 44 HE3 LYS 44 9.758 -3.541 -19.178 335 HZ1 LYS 44 HZ1 LYS 44 9.262 -5.308 -17.642 336 HZ2 LYS 44 HZ2 LYS 44 7.842 -4.597 -17.208 337 HZ3 LYS 44 HZ3 LYS 44 8.058 -5.158 -18.740 338 H ALA 45 H ALA 45 10.438 2.416 -15.634 339 HA ALA 45 HA ALA 45 8.562 3.059 -17.748 340 HB1 ALA 45 HB1 ALA 45 9.196 4.422 -15.101 341 HB2 ALA 45 HB2 ALA 45 7.829 4.836 -16.172 342 HB3 ALA 45 HB3 ALA 45 7.905 3.245 -15.398 343 H MET 46 H MET 46 11.307 4.900 -16.217 344 HA MET 46 HA MET 46 10.921 7.210 -17.793 345 HB2 MET 46 HB2 MET 46 12.331 6.982 -15.724 346 HB3 MET 46 HB3 MET 46 13.541 6.141 -16.701 347 HG2 MET 46 HG2 MET 46 14.218 8.411 -16.511 348 HG3 MET 46 HG3 MET 46 13.704 8.155 -18.177 349 HE1 MET 46 HE1 MET 46 10.894 10.644 -18.727 350 HE2 MET 46 HE2 MET 46 12.125 9.553 -19.405 351 HE3 MET 46 HE3 MET 46 10.676 8.889 -18.624 352 H ALA 47 H ALA 47 12.608 4.168 -18.500 353 HA ALA 47 HA ALA 47 13.956 5.125 -20.855 354 HB1 ALA 47 HB1 ALA 47 13.115 2.347 -19.945 355 HB2 ALA 47 HB2 ALA 47 14.245 2.692 -21.277 356 HB3 ALA 47 HB3 ALA 47 14.674 3.141 -19.611 357 H LEU 48 H LEU 48 10.713 3.676 -20.227 358 HA LEU 48 HA LEU 48 10.079 3.202 -22.967 359 HB2 LEU 48 HB2 LEU 48 8.398 3.684 -20.491 360 HB3 LEU 48 HB3 LEU 48 7.681 3.354 -22.082 361 HG LEU 48 HG LEU 48 9.710 1.512 -20.769 362 HD11 LEU 48 HD11 LEU 48 7.723 0.103 -20.215 363 HD12 LEU 48 HD12 LEU 48 7.710 1.661 -19.356 364 HD13 LEU 48 HD13 LEU 48 6.669 1.425 -20.782 365 HD21 LEU 48 HD21 LEU 48 8.883 -0.129 -22.366 366 HD22 LEU 48 HD22 LEU 48 7.727 1.055 -23.022 367 HD23 LEU 48 HD23 LEU 48 9.477 1.311 -23.226 368 H ILE 49 H ILE 49 10.020 6.182 -21.023 369 HA ILE 49 HA ILE 49 8.462 7.691 -22.973 370 HB ILE 49 HB ILE 49 10.395 8.296 -20.695 371 HG12 ILE 49 HG12 ILE 49 8.402 9.706 -19.928 372 HG13 ILE 49 HG13 ILE 49 7.470 8.933 -21.227 373 HG21 ILE 49 HG21 ILE 49 9.230 10.348 -22.598 374 HG22 ILE 49 HG22 ILE 49 10.082 10.716 -21.087 375 HG23 ILE 49 HG23 ILE 49 10.964 9.934 -22.414 376 HD11 ILE 49 HD11 ILE 49 8.830 7.570 -18.864 377 HD12 ILE 49 HD12 ILE 49 7.089 7.798 -19.113 378 HD13 ILE 49 HD13 ILE 49 7.991 6.708 -20.183 379 H LYS 50 H LYS 50 11.977 7.269 -22.341 380 HA LYS 50 HA LYS 50 12.826 8.752 -24.599 381 HB2 LYS 50 HB2 LYS 50 13.903 7.203 -22.408 382 HB3 LYS 50 HB3 LYS 50 14.698 6.749 -23.914 383 HG2 LYS 50 HG2 LYS 50 15.900 8.633 -22.965 384 HG3 LYS 50 HG3 LYS 50 15.045 9.181 -24.425 385 HD2 LYS 50 HD2 LYS 50 14.724 10.855 -22.767 386 HD3 LYS 50 HD3 LYS 50 13.177 10.006 -22.876 387 HE2 LYS 50 HE2 LYS 50 13.573 8.834 -20.834 388 HE3 LYS 50 HE3 LYS 50 15.311 9.157 -20.913 389 HZ1 LYS 50 HZ1 LYS 50 14.233 10.567 -19.294 390 HZ2 LYS 50 HZ2 LYS 50 14.866 11.471 -20.504 391 HZ3 LYS 50 HZ3 LYS 50 13.247 11.214 -20.447 392 H LEU 51 H LEU 51 11.200 5.725 -24.463 393 HA LEU 51 HA LEU 51 12.206 4.883 -27.124 394 HB2 LEU 51 HB2 LEU 51 10.627 3.530 -24.906 395 HB3 LEU 51 HB3 LEU 51 10.824 2.832 -26.513 396 HG LEU 51 HG LEU 51 13.203 3.613 -24.767 397 HD11 LEU 51 HD11 LEU 51 11.826 1.903 -23.613 398 HD12 LEU 51 HD12 LEU 51 11.840 0.906 -25.088 399 HD13 LEU 51 HD13 LEU 51 13.351 1.211 -24.198 400 HD21 LEU 51 HD21 LEU 51 12.924 1.771 -27.175 401 HD22 LEU 51 HD22 LEU 51 13.717 3.368 -27.153 402 HD23 LEU 51 HD23 LEU 51 14.401 2.024 -26.216 403 H GLY 52 H GLY 52 9.789 6.619 -25.475 404 HA2 GLY 52 HA2 GLY 52 7.928 7.696 -26.135 405 HA3 GLY 52 HA3 GLY 52 8.232 7.185 -27.795 406 H GLU 53 H GLU 53 8.185 4.694 -25.459 407 HA GLU 53 HA GLU 53 5.505 3.694 -26.202 408 HB2 GLU 53 HB2 GLU 53 7.840 2.564 -24.566 409 HB3 GLU 53 HB3 GLU 53 6.372 1.645 -24.985 410 HG2 GLU 53 HG2 GLU 53 8.195 2.896 -27.081 411 HG3 GLU 53 HG3 GLU 53 8.476 1.289 -26.440 412 H TYR 54 H TYR 54 5.499 6.022 -25.055 413 HA TYR 54 HA TYR 54 5.115 6.402 -22.396 414 HB2 TYR 54 HB2 TYR 54 3.197 7.141 -24.611 415 HB3 TYR 54 HB3 TYR 54 3.297 7.942 -23.172 416 HD1 TYR 54 HD2 TYR 54 6.044 8.708 -22.710 417 HD2 TYR 54 HD1 TYR 54 4.117 8.140 -26.509 418 HE1 TYR 54 HE2 TYR 54 7.673 10.264 -23.779 419 HE2 TYR 54 HE1 TYR 54 5.754 9.635 -27.584 420 HH TYR 54 HH TYR 54 7.570 11.014 -27.278 421 H THR 55 H THR 55 2.945 4.604 -24.669 422 HA THR 55 HA THR 55 0.641 4.561 -23.061 423 HB THR 55 HB THR 55 1.466 2.112 -24.612 424 HG1 THR 55 HG1 THR 55 0.862 3.181 -26.507 425 HG21 THR 55 HG21 THR 55 -0.702 2.244 -23.454 426 HG22 THR 55 HG22 THR 55 -1.069 3.755 -24.327 427 HG23 THR 55 HG23 THR 55 -0.933 2.217 -25.226 428 H GLN 56 H GLN 56 3.504 2.473 -23.087 429 HA GLN 56 HA GLN 56 2.501 0.688 -20.999 430 HB2 GLN 56 HB2 GLN 56 5.269 1.078 -22.229 431 HB3 GLN 56 HB3 GLN 56 4.747 -0.312 -21.265 432 HG2 GLN 56 HG2 GLN 56 3.755 0.578 -24.014 433 HG3 GLN 56 HG3 GLN 56 4.700 -0.863 -23.652 434 HE21 GLN 56 HE22 GLN 56 1.566 0.652 -23.591 435 HE22 GLN 56 HE21 GLN 56 0.623 -0.776 -23.171 436 H ALA 57 H ALA 57 4.749 3.414 -21.327 437 HA ALA 57 HA ALA 57 5.930 3.400 -18.793 438 HB1 ALA 57 HB1 ALA 57 6.262 5.815 -19.240 439 HB2 ALA 57 HB2 ALA 57 6.545 4.868 -20.730 440 HB3 ALA 57 HB3 ALA 57 5.026 5.759 -20.516 441 H ILE 58 H ILE 58 2.786 4.783 -19.811 442 HA ILE 58 HA ILE 58 2.148 6.144 -17.402 443 HB ILE 58 HB ILE 58 0.405 4.764 -19.458 444 HG12 ILE 58 HG12 ILE 58 0.883 7.748 -19.268 445 HG13 ILE 58 HG13 ILE 58 2.087 6.733 -20.052 446 HG21 ILE 58 HG21 ILE 58 -0.339 6.920 -17.438 447 HG22 ILE 58 HG22 ILE 58 -1.376 6.345 -18.751 448 HG23 ILE 58 HG23 ILE 58 -0.925 5.237 -17.436 449 HD11 ILE 58 HD11 ILE 58 0.296 5.760 -21.527 450 HD12 ILE 58 HD12 ILE 58 -0.866 6.908 -20.818 451 HD13 ILE 58 HD13 ILE 58 0.530 7.501 -21.746 452 H GLN 59 H GLN 59 1.773 2.699 -18.426 453 HA GLN 59 HA GLN 59 0.237 1.914 -16.147 454 HB2 GLN 59 HB2 GLN 59 2.025 0.290 -17.984 455 HB3 GLN 59 HB3 GLN 59 0.748 -0.301 -16.897 456 HG2 GLN 59 HG2 GLN 59 0.505 1.305 -19.448 457 HG3 GLN 59 HG3 GLN 59 -0.202 -0.276 -19.055 458 HE21 GLN 59 HE22 GLN 59 -0.987 2.858 -19.558 459 HE22 GLN 59 HE21 GLN 59 -2.355 3.015 -18.463 460 H MET 60 H MET 60 3.726 2.049 -16.923 461 HA MET 60 HA MET 60 4.604 0.548 -14.598 462 HB2 MET 60 HB2 MET 60 6.079 2.645 -16.222 463 HB3 MET 60 HB3 MET 60 6.799 1.497 -15.076 464 HG2 MET 60 HG2 MET 60 5.562 0.893 -17.767 465 HG3 MET 60 HG3 MET 60 7.251 0.794 -17.300 466 HE1 MET 60 HE1 MET 60 4.010 -2.329 -16.922 467 HE2 MET 60 HE2 MET 60 3.692 -0.723 -16.226 468 HE3 MET 60 HE3 MET 60 4.126 -0.867 -17.944 469 H CYS 61 H CYS 61 4.169 4.070 -15.249 470 HA CYS 61 HA CYS 61 5.496 4.889 -12.849 471 HB2 CYS 61 HB2 CYS 61 3.445 6.336 -14.558 472 HB3 CYS 61 HB3 CYS 61 4.445 7.055 -13.271 473 HG CYS 61 HG CYS 61 5.449 5.424 -15.958 474 H GLN 62 H GLN 62 1.939 4.642 -13.630 475 HA GLN 62 HA GLN 62 1.124 5.107 -10.963 476 HB2 GLN 62 HB2 GLN 62 -1.021 4.132 -11.636 477 HB3 GLN 62 HB3 GLN 62 -0.406 5.354 -12.768 478 HG2 GLN 62 HG2 GLN 62 -0.777 3.871 -14.409 479 HG3 GLN 62 HG3 GLN 62 0.594 2.947 -13.778 480 HE21 GLN 62 HE22 GLN 62 0.196 1.133 -12.396 481 HE22 GLN 62 HE21 GLN 62 -1.386 0.381 -12.315 482 H GLN 63 H GLN 63 2.300 2.021 -12.382 483 HA GLN 63 HA GLN 63 1.396 0.301 -10.275 484 HB2 GLN 63 HB2 GLN 63 3.059 0.231 -12.648 485 HB3 GLN 63 HB3 GLN 63 4.012 -0.382 -11.305 486 HG2 GLN 63 HG2 GLN 63 2.881 -2.162 -12.471 487 HG3 GLN 63 HG3 GLN 63 2.295 -2.056 -10.795 488 HE21 GLN 63 HE22 GLN 63 1.513 -1.469 -14.222 489 HE22 GLN 63 HE21 GLN 63 -0.224 -1.371 -13.995 490 H GLY 64 H GLY 64 4.493 2.188 -10.666 491 HA2 GLY 64 HA2 GLY 64 5.824 1.236 -8.470 492 HA3 GLY 64 HA3 GLY 64 5.897 2.912 -9.018 493 H LEU 65 H LEU 65 3.033 3.478 -8.458 494 HA LEU 65 HA LEU 65 3.364 4.395 -5.759 495 HB2 LEU 65 HB2 LEU 65 0.958 4.336 -7.623 496 HB3 LEU 65 HB3 LEU 65 1.034 5.262 -6.104 497 HG LEU 65 HG LEU 65 3.108 5.574 -8.296 498 HD11 LEU 65 HD11 LEU 65 1.890 7.398 -9.214 499 HD12 LEU 65 HD12 LEU 65 0.761 6.036 -9.112 500 HD13 LEU 65 HD13 LEU 65 0.681 7.342 -7.899 501 HD21 LEU 65 HD21 LEU 65 3.873 7.385 -7.060 502 HD22 LEU 65 HD22 LEU 65 2.273 7.734 -6.377 503 HD23 LEU 65 HD23 LEU 65 3.251 6.397 -5.736 504 H ARG 66 H ARG 66 2.518 1.330 -6.838 505 HA ARG 66 HA ARG 66 0.493 0.688 -4.821 506 HB2 ARG 66 HB2 ARG 66 2.171 -0.813 -6.895 507 HB3 ARG 66 HB3 ARG 66 0.926 -1.600 -5.960 508 HG2 ARG 66 HG2 ARG 66 -0.743 0.069 -6.839 509 HG3 ARG 66 HG3 ARG 66 0.537 0.768 -7.853 510 HD2 ARG 66 HD2 ARG 66 -0.638 -0.792 -9.209 511 HD3 ARG 66 HD3 ARG 66 0.946 -1.503 -8.815 512 HE ARG 66 HE ARG 66 -0.704 -2.483 -6.839 513 HH11 ARG 66 HH21 ARG 66 -0.889 -2.522 -10.370 514 HH12 ARG 66 HH22 ARG 66 -1.759 -4.038 -10.420 515 HH21 ARG 66 HH11 ARG 66 -1.831 -4.456 -6.940 516 HH22 ARG 66 HH12 ARG 66 -2.289 -5.125 -8.487 517 H TYR 67 H TYR 67 3.805 1.009 -5.201 518 HA TYR 67 HA TYR 67 4.526 -0.829 -2.972 519 HB2 TYR 67 HB2 TYR 67 6.087 0.302 -5.315 520 HB3 TYR 67 HB3 TYR 67 6.720 -0.884 -4.193 521 HD1 TYR 67 HD2 TYR 67 5.443 -3.192 -4.087 522 HD2 TYR 67 HD1 TYR 67 4.723 -0.224 -7.112 523 HE1 TYR 67 HE2 TYR 67 4.353 -4.901 -5.504 524 HE2 TYR 67 HE1 TYR 67 3.637 -1.883 -8.536 525 HH TYR 67 HH TYR 67 3.003 -4.124 -8.742 526 H THR 68 H THR 68 4.457 2.577 -3.829 527 HA THR 68 HA THR 68 6.635 3.299 -2.032 528 HB THR 68 HB THR 68 5.953 5.623 -2.491 529 HG1 THR 68 HG1 THR 68 3.694 5.155 -2.692 530 HG21 THR 68 HG21 THR 68 6.012 3.929 -5.014 531 HG22 THR 68 HG22 THR 68 6.442 5.646 -4.860 532 HG23 THR 68 HG23 THR 68 7.432 4.396 -4.062 533 H SER 69 H SER 69 4.379 1.725 -0.893 534 HA SER 69 HA SER 69 2.649 3.312 0.682 535 HB2 SER 69 HB2 SER 69 3.747 0.505 1.087 536 HB3 SER 69 HB3 SER 69 2.388 1.215 1.983 537 HG SER 69 HG SER 69 1.702 -0.009 0.153 538 H THR 70 H THR 70 5.924 3.366 0.910 539 HA THR 70 HA THR 70 5.863 4.144 3.769 540 HB THR 70 HB THR 70 6.591 1.882 3.936 541 HG1 THR 70 HG1 THR 70 8.743 2.166 4.562 542 HG21 THR 70 HG21 THR 70 8.542 1.043 2.556 543 HG22 THR 70 HG22 THR 70 7.035 1.290 1.655 544 HG23 THR 70 HG23 THR 70 8.339 2.484 1.525 545 H ALA 71 H ALA 71 7.656 5.507 4.402 546 HA ALA 71 HA ALA 71 8.186 7.449 2.341 547 HB1 ALA 71 HB1 ALA 71 7.631 8.047 4.663 548 HB2 ALA 71 HB2 ALA 71 9.160 7.317 5.214 549 HB3 ALA 71 HB3 ALA 71 9.178 8.748 4.148 550 H GLU 72 H GLU 72 9.924 4.571 3.046 551 HA GLU 72 HA GLU 72 12.549 5.646 2.483 552 HB2 GLU 72 HB2 GLU 72 13.095 3.293 1.936 553 HB3 GLU 72 HB3 GLU 72 12.309 3.456 3.523 554 HG2 GLU 72 HG2 GLU 72 10.136 2.885 2.387 555 HG3 GLU 72 HG3 GLU 72 11.052 2.523 0.919 556 H HIS 73 H HIS 73 9.732 5.480 0.659 557 HA HIS 73 HA HIS 73 11.238 5.307 -1.900 558 HB2 HIS 73 HB2 HIS 73 8.370 4.562 -1.264 559 HB3 HIS 73 HB3 HIS 73 9.056 4.636 -2.895 560 HD2 HIS 73 HD2 HIS 73 11.863 3.203 -1.225 561 HE1 HIS 73 HE1 HIS 73 9.389 -0.191 -1.876 562 HE2 HIS 73 HE2 HIS 73 11.748 0.591 -1.308 563 H VAL 74 H VAL 74 10.293 7.711 0.035 564 HA VAL 74 HA VAL 74 8.755 9.197 -1.943 565 HB VAL 74 HB VAL 74 8.231 9.388 0.341 566 HG11 VAL 74 HG11 VAL 74 9.505 10.663 1.955 567 HG12 VAL 74 HG12 VAL 74 10.626 9.451 1.276 568 HG13 VAL 74 HG13 VAL 74 10.704 11.138 0.738 569 HG21 VAL 74 HG21 VAL 74 9.207 11.942 -1.003 570 HG22 VAL 74 HG22 VAL 74 7.720 11.056 -1.385 571 HG23 VAL 74 HG23 VAL 74 7.899 11.839 0.215 572 H ALA 75 H ALA 75 10.187 8.692 -3.355 573 HA ALA 75 HA ALA 75 12.199 10.740 -4.078 574 HB1 ALA 75 HB1 ALA 75 13.938 9.019 -4.444 575 HB2 ALA 75 HB2 ALA 75 13.420 8.973 -2.734 576 HB3 ALA 75 HB3 ALA 75 12.820 7.746 -3.890 577 H ILE 76 H ILE 76 10.862 7.582 -4.527 578 HA ILE 76 HA ILE 76 10.842 7.326 -7.401 579 HB ILE 76 HB ILE 76 10.009 5.983 -4.829 580 HG12 ILE 76 HG12 ILE 76 12.384 5.984 -6.033 581 HG13 ILE 76 HG13 ILE 76 11.732 4.619 -5.174 582 HG21 ILE 76 HG21 ILE 76 9.180 4.978 -7.560 583 HG22 ILE 76 HG22 ILE 76 9.169 4.080 -5.992 584 HG23 ILE 76 HG23 ILE 76 8.129 5.483 -6.205 585 HD11 ILE 76 HD11 ILE 76 12.715 4.203 -7.523 586 HD12 ILE 76 HD12 ILE 76 10.993 3.723 -7.431 587 HD13 ILE 76 HD13 ILE 76 11.443 5.296 -8.151 588 H ARG 77 H ARG 77 8.539 7.827 -4.728 589 HA ARG 77 HA ARG 77 6.126 7.713 -6.203 590 HB2 ARG 77 HB2 ARG 77 6.395 7.753 -3.688 591 HB3 ARG 77 HB3 ARG 77 6.698 9.490 -3.807 592 HG2 ARG 77 HG2 ARG 77 4.421 9.520 -5.169 593 HG3 ARG 77 HG3 ARG 77 4.179 7.918 -4.435 594 HD2 ARG 77 HD2 ARG 77 4.570 8.912 -2.192 595 HD3 ARG 77 HD3 ARG 77 4.806 10.495 -2.962 596 HE ARG 77 HE ARG 77 2.511 10.720 -3.235 597 HH11 ARG 77 HH21 ARG 77 3.254 7.394 -2.290 598 HH12 ARG 77 HH22 ARG 77 1.572 6.973 -2.034 599 HH21 ARG 77 HH11 ARG 77 0.327 10.141 -2.887 600 HH22 ARG 77 HH12 ARG 77 -0.067 8.522 -2.361 601 H SER 78 H SER 78 8.491 10.228 -5.811 602 HA SER 78 HA SER 78 7.072 12.401 -7.038 603 HB2 SER 78 HB2 SER 78 9.216 12.471 -5.623 604 HB3 SER 78 HB3 SER 78 10.059 11.775 -6.999 605 HG SER 78 HG SER 78 8.665 14.251 -6.939 606 H LYS 79 H LYS 79 8.923 9.647 -8.360 607 HA LYS 79 HA LYS 79 9.142 10.836 -11.021 608 HB2 LYS 79 HB2 LYS 79 9.704 8.028 -9.949 609 HB3 LYS 79 HB3 LYS 79 10.201 8.654 -11.530 610 HG2 LYS 79 HG2 LYS 79 11.500 10.446 -10.366 611 HG3 LYS 79 HG3 LYS 79 11.035 9.743 -8.803 612 HD2 LYS 79 HD2 LYS 79 12.161 7.622 -9.419 613 HD3 LYS 79 HD3 LYS 79 12.647 8.349 -10.974 614 HE2 LYS 79 HE2 LYS 79 13.711 10.217 -9.673 615 HE3 LYS 79 HE3 LYS 79 13.380 9.320 -8.182 616 HZ1 LYS 79 HZ1 LYS 79 14.705 7.525 -9.040 617 HZ2 LYS 79 HZ2 LYS 79 15.033 8.365 -10.424 618 HZ3 LYS 79 HZ3 LYS 79 15.599 8.904 -8.974 619 H LEU 80 H LEU 80 7.225 8.360 -9.357 620 HA LEU 80 HA LEU 80 5.928 7.229 -11.623 621 HB2 LEU 80 HB2 LEU 80 5.328 7.492 -8.674 622 HB3 LEU 80 HB3 LEU 80 4.226 6.644 -9.752 623 HG LEU 80 HG LEU 80 5.529 4.781 -9.868 624 HD11 LEU 80 HD11 LEU 80 7.830 4.547 -9.993 625 HD12 LEU 80 HD12 LEU 80 7.332 5.746 -11.181 626 HD13 LEU 80 HD13 LEU 80 8.133 6.274 -9.661 627 HD21 LEU 80 HD21 LEU 80 5.243 5.241 -7.485 628 HD22 LEU 80 HD22 LEU 80 6.795 4.420 -7.786 629 HD23 LEU 80 HD23 LEU 80 6.745 6.177 -7.478 630 H GLN 81 H GLN 81 5.569 10.339 -10.215 631 HA GLN 81 HA GLN 81 2.864 10.805 -11.272 632 HB2 GLN 81 HB2 GLN 81 4.820 11.695 -9.201 633 HB3 GLN 81 HB3 GLN 81 3.878 13.022 -9.865 634 HG2 GLN 81 HG2 GLN 81 3.097 11.857 -7.767 635 HG3 GLN 81 HG3 GLN 81 1.874 12.146 -9.070 636 HE21 GLN 81 HE22 GLN 81 4.121 9.658 -7.831 637 HE22 GLN 81 HE21 GLN 81 3.051 8.308 -8.168 638 H TYR 82 H TYR 82 6.191 11.313 -12.132 639 HA TYR 82 HA TYR 82 5.569 13.885 -13.500 640 HB2 TYR 82 HB2 TYR 82 7.616 14.000 -12.376 641 HB3 TYR 82 HB3 TYR 82 8.050 12.345 -12.790 642 HD1 TYR 82 HD2 TYR 82 7.635 15.752 -14.306 643 HD2 TYR 82 HD1 TYR 82 9.248 11.804 -14.698 644 HE1 TYR 82 HE2 TYR 82 9.124 16.547 -16.139 645 HE2 TYR 82 HE1 TYR 82 10.855 12.607 -16.428 646 HH TYR 82 HH TYR 82 11.507 14.390 -17.713 647 H ARG 83 H ARG 83 7.027 10.679 -14.398 648 HA ARG 83 HA ARG 83 6.793 11.341 -17.238 649 HB2 ARG 83 HB2 ARG 83 7.025 8.556 -16.136 650 HB3 ARG 83 HB3 ARG 83 7.511 9.190 -17.719 651 HG2 ARG 83 HG2 ARG 83 9.510 8.837 -16.639 652 HG3 ARG 83 HG3 ARG 83 9.258 10.565 -16.366 653 HD2 ARG 83 HD2 ARG 83 8.435 10.064 -14.071 654 HD3 ARG 83 HD3 ARG 83 8.452 8.338 -14.424 655 HE ARG 83 HE ARG 83 10.868 10.131 -14.225 656 HH11 ARG 83 HH11 ARG 83 9.411 6.925 -13.985 657 HH12 ARG 83 HH12 ARG 83 10.915 6.154 -13.533 658 HH21 ARG 83 HH21 ARG 83 12.811 9.111 -13.636 659 HH22 ARG 83 HH22 ARG 83 12.823 7.414 -13.244 660 H LEU 84 H LEU 84 4.776 10.227 -14.757 661 HA LEU 84 HA LEU 84 2.763 8.911 -16.348 662 HB2 LEU 84 HB2 LEU 84 3.143 8.500 -13.939 663 HB3 LEU 84 HB3 LEU 84 2.862 10.151 -13.560 664 HG LEU 84 HG LEU 84 0.486 9.972 -14.292 665 HD11 LEU 84 HD11 LEU 84 1.213 7.061 -14.897 666 HD12 LEU 84 HD12 LEU 84 -0.431 7.739 -14.923 667 HD13 LEU 84 HD13 LEU 84 0.769 8.296 -16.096 668 HD21 LEU 84 HD21 LEU 84 1.182 9.417 -11.974 669 HD22 LEU 84 HD22 LEU 84 -0.279 8.534 -12.491 670 HD23 LEU 84 HD23 LEU 84 1.296 7.712 -12.438 671 H GLU 85 H GLU 85 3.729 12.143 -15.831 672 HA GLU 85 HA GLU 85 1.166 13.178 -16.942 673 HB2 GLU 85 HB2 GLU 85 3.248 14.509 -15.176 674 HB3 GLU 85 HB3 GLU 85 1.841 15.335 -15.904 675 HG2 GLU 85 HG2 GLU 85 0.392 13.534 -14.870 676 HG3 GLU 85 HG3 GLU 85 1.779 12.977 -13.969 677 H LEU 86 H LEU 86 4.033 12.178 -18.093 678 HA LEU 86 HA LEU 86 3.974 14.352 -20.137 679 HB2 LEU 86 HB2 LEU 86 6.254 14.342 -20.328 680 HB3 LEU 86 HB3 LEU 86 6.037 14.068 -18.590 681 HG LEU 86 HG LEU 86 6.203 11.517 -19.306 682 HD11 LEU 86 HD11 LEU 86 7.726 13.000 -21.508 683 HD12 LEU 86 HD12 LEU 86 7.789 11.249 -21.218 684 HD13 LEU 86 HD13 LEU 86 6.283 11.993 -21.774 685 HD21 LEU 86 HD21 LEU 86 7.800 12.914 -17.871 686 HD22 LEU 86 HD22 LEU 86 8.471 11.512 -18.694 687 HD23 LEU 86 HD23 LEU 86 8.748 13.156 -19.353 688 H ALA 87 H ALA 87 4.332 10.818 -19.517 689 HA ALA 87 HA ALA 87 4.565 9.977 -22.143 690 HB1 ALA 87 HB1 ALA 87 3.308 8.685 -19.670 691 HB2 ALA 87 HB2 ALA 87 3.794 7.807 -21.134 692 HB3 ALA 87 HB3 ALA 87 5.019 8.620 -20.136 693 H GLN 88 H GLN 88 1.597 9.943 -20.059 694 HA GLN 88 HA GLN 88 -0.257 9.281 -22.086 695 HB2 GLN 88 HB2 GLN 88 -1.933 10.228 -20.554 696 HB3 GLN 88 HB3 GLN 88 -0.869 8.935 -19.927 697 HG2 GLN 88 HG2 GLN 88 0.490 10.544 -18.749 698 HG3 GLN 88 HG3 GLN 88 -0.384 11.887 -19.509 699 HE21 GLN 88 HE22 GLN 88 -0.805 8.986 -17.408 700 HE22 GLN 88 HE21 GLN 88 -2.133 9.610 -16.456 701 H GLY 89 H GLY 89 1.358 12.263 -21.440 702 HA2 GLY 89 HA2 GLY 89 -0.617 13.878 -22.958 703 HA3 GLY 89 HA3 GLY 89 0.782 14.477 -22.036 704 H ALA 90 H ALA 90 1.533 11.705 -23.868 705 HA ALA 90 HA ALA 90 2.513 13.242 -26.228 706 HB1 ALA 90 HB1 ALA 90 4.094 11.348 -24.480 707 HB2 ALA 90 HB2 ALA 90 4.701 12.162 -25.933 708 HB3 ALA 90 HB3 ALA 90 4.305 13.136 -24.481 709 H VAL 91 H VAL 91 1.322 10.262 -24.770 710 HA VAL 91 HA VAL 91 2.445 8.196 -26.174 711 HB VAL 91 HB VAL 91 -0.429 8.501 -25.928 712 HG11 VAL 91 HG11 VAL 91 0.462 6.443 -27.007 713 HG12 VAL 91 HG12 VAL 91 1.490 6.144 -25.578 714 HG13 VAL 91 HG13 VAL 91 -0.285 6.014 -25.449 715 HG21 VAL 91 HG21 VAL 91 -0.412 7.620 -23.685 716 HG22 VAL 91 HG22 VAL 91 1.360 7.844 -23.627 717 HG23 VAL 91 HG23 VAL 91 0.253 9.254 -23.892 718 H GLY 92 H GLY 92 -0.291 10.106 -27.206 719 HA2 GLY 92 HA2 GLY 92 0.137 9.377 -30.062 720 HA3 GLY 92 HA3 GLY 92 -1.455 9.153 -29.294 721 H SER 93 H SER 93 0.569 11.892 -28.391 722 HA SER 93 HA SER 93 -1.421 13.816 -29.025 723 HB2 SER 93 HB2 SER 93 0.336 15.466 -28.527 724 HB3 SER 93 HB3 SER 93 0.342 14.153 -27.333 725 HG SER 93 HG SER 93 2.445 14.675 -28.125 726 H VAL 94 H VAL 94 -1.083 15.701 -30.457 727 HA VAL 94 HA VAL 94 -1.428 16.390 -32.562 728 HB VAL 94 HB VAL 94 1.433 15.440 -32.895 729 HG11 VAL 94 HG11 VAL 94 -0.311 17.479 -34.361 730 HG12 VAL 94 HG12 VAL 94 1.432 17.231 -34.649 731 HG13 VAL 94 HG13 VAL 94 0.267 15.946 -35.029 732 HG21 VAL 94 HG21 VAL 94 0.218 18.086 -31.969 733 HG22 VAL 94 HG22 VAL 94 1.117 16.943 -30.950 734 HG23 VAL 94 HG23 VAL 94 1.949 17.795 -32.275 735 H GLN 95 H GLN 95 -2.995 15.358 -33.575 736 HA GLN 95 HA GLN 95 -2.521 12.705 -34.686 737 HB2 GLN 95 HB2 GLN 95 -4.961 14.530 -34.521 738 HB3 GLN 95 HB3 GLN 95 -4.939 12.868 -35.131 739 HG2 GLN 95 HG2 GLN 95 -5.677 12.655 -32.880 740 HG3 GLN 95 HG3 GLN 95 -3.970 12.188 -32.842 741 HE21 GLN 95 HE22 GLN 95 -3.105 12.898 -30.926 742 HE22 GLN 95 HE21 GLN 95 -3.419 14.467 -30.216 743 H ILE 96 H ILE 96 -1.590 15.591 -35.860 744 HA ILE 96 HA ILE 96 -2.368 14.902 -38.630 745 HB ILE 96 HB ILE 96 -2.707 17.395 -39.039 746 HG12 ILE 96 HG12 ILE 96 -3.565 18.693 -37.115 747 HG13 ILE 96 HG13 ILE 96 -3.064 17.419 -36.004 748 HG21 ILE 96 HG21 ILE 96 -4.662 15.955 -37.210 749 HG22 ILE 96 HG22 ILE 96 -5.038 17.263 -38.354 750 HG23 ILE 96 HG23 ILE 96 -4.493 15.679 -38.957 751 HD11 ILE 96 HD11 ILE 96 -0.697 17.811 -36.608 752 HD12 ILE 96 HD12 ILE 96 -1.198 19.055 -37.780 753 HD13 ILE 96 HD13 ILE 96 -1.472 19.307 -36.045 754 HA PRO 97 HA PRO 97 2.116 16.370 -38.172 755 HB2 PRO 97 HB2 PRO 97 3.549 14.072 -37.958 756 HB3 PRO 97 HB3 PRO 97 2.791 14.838 -36.527 757 HG2 PRO 97 HG2 PRO 97 1.690 12.567 -38.218 758 HG3 PRO 97 HG3 PRO 97 1.857 12.627 -36.432 759 HD2 PRO 97 HD2 PRO 97 -0.475 13.243 -37.716 760 HD3 PRO 97 HD3 PRO 97 0.052 14.112 -36.231 761 H VAL 98 H VAL 98 3.960 15.664 -39.778 762 HA VAL 98 HA VAL 98 2.785 15.376 -42.394 763 HB VAL 98 HB VAL 98 5.700 15.249 -41.612 764 HG11 VAL 98 HG11 VAL 98 4.266 15.839 -44.247 765 HG12 VAL 98 HG12 VAL 98 6.024 15.950 -43.984 766 HG13 VAL 98 HG13 VAL 98 5.201 14.381 -43.891 767 HG21 VAL 98 HG21 VAL 98 5.724 17.648 -42.265 768 HG22 VAL 98 HG22 VAL 98 3.963 17.604 -42.488 769 HG23 VAL 98 HG23 VAL 98 4.667 17.377 -40.867 770 H VAL 99 H VAL 99 1.651 13.422 -42.286 771 HA VAL 99 HA VAL 99 3.378 11.080 -42.897 772 HB VAL 99 HB VAL 99 0.814 11.063 -41.250 773 HG11 VAL 99 HG11 VAL 99 1.238 8.618 -41.083 774 HG12 VAL 99 HG12 VAL 99 0.963 9.095 -42.768 775 HG13 VAL 99 HG13 VAL 99 2.619 8.786 -42.198 776 HG21 VAL 99 HG21 VAL 99 3.686 10.322 -40.537 777 HG22 VAL 99 HG22 VAL 99 2.814 11.754 -39.962 778 HG23 VAL 99 HG23 VAL 99 2.268 10.135 -39.480 779 H GLU 100 H GLU 100 3.217 11.353 -45.056 780 HA GLU 100 HA GLU 100 0.524 11.157 -46.287 781 HB2 GLU 100 HB2 GLU 100 0.755 13.111 -47.530 782 HB3 GLU 100 HB3 GLU 100 1.506 13.603 -46.010 783 HG2 GLU 100 HG2 GLU 100 3.743 12.859 -47.058 784 HG3 GLU 100 HG3 GLU 100 2.809 12.858 -48.570 785 H VAL 101 H VAL 101 0.941 11.105 -48.812 786 HA VAL 101 HA VAL 101 3.294 9.371 -49.395 787 HB VAL 101 HB VAL 101 0.440 8.974 -50.341 788 HG11 VAL 101 HG11 VAL 101 1.355 6.890 -51.377 789 HG12 VAL 101 HG12 VAL 101 2.062 8.347 -52.090 790 HG13 VAL 101 HG13 VAL 101 2.991 7.390 -50.907 791 HG21 VAL 101 HG21 VAL 101 2.220 7.343 -48.487 792 HG22 VAL 101 HG22 VAL 101 0.772 8.260 -48.018 793 HG23 VAL 101 HG23 VAL 101 0.614 6.840 -49.074 794 H ASP 102 H ASP 102 4.188 9.676 -51.458 795 HA ASP 102 HA ASP 102 3.088 11.850 -53.102 796 HB2 ASP 102 HB2 ASP 102 4.534 12.851 -51.277 797 HB3 ASP 102 HB3 ASP 102 5.900 11.930 -51.904 798 H GLU 103 H GLU 103 3.430 8.991 -53.387 799 HA GLU 103 HA GLU 103 4.872 8.950 -55.948 800 HB2 GLU 103 HB2 GLU 103 6.387 8.251 -53.836 801 HB3 GLU 103 HB3 GLU 103 5.543 6.716 -54.039 802 HG2 GLU 103 HG2 GLU 103 6.293 6.669 -56.438 803 HG3 GLU 103 HG3 GLU 103 7.122 8.202 -56.155 804 H LEU 104 H LEU 104 4.840 6.228 -56.309 805 HA LEU 104 HA LEU 104 2.276 5.431 -57.055 806 HB2 LEU 104 HB2 LEU 104 4.822 4.060 -56.237 807 HB3 LEU 104 HB3 LEU 104 3.421 3.112 -56.842 808 HG LEU 104 HG LEU 104 4.226 5.355 -58.594 809 HD11 LEU 104 HD11 LEU 104 5.943 3.874 -59.663 810 HD12 LEU 104 HD12 LEU 104 6.436 4.330 -58.011 811 HD13 LEU 104 HD13 LEU 104 5.754 2.719 -58.322 812 HD21 LEU 104 HD21 LEU 104 3.523 3.486 -60.166 813 HD22 LEU 104 HD22 LEU 104 3.429 2.430 -58.720 814 HD23 LEU 104 HD23 LEU 104 2.300 3.775 -58.885 815 HA PRO 105 HA PRO 105 0.047 3.534 -53.704 816 HB2 PRO 105 HB2 PRO 105 0.554 1.017 -55.312 817 HB3 PRO 105 HB3 PRO 105 -0.977 1.545 -54.551 818 HG2 PRO 105 HG2 PRO 105 -0.703 1.970 -57.156 819 HG3 PRO 105 HG3 PRO 105 -1.200 3.371 -56.136 820 HD2 PRO 105 HD2 PRO 105 1.595 2.631 -57.045 821 HD3 PRO 105 HD3 PRO 105 0.822 4.215 -57.234 822 H GLU 106 H GLU 106 0.225 1.899 -51.991 823 HA GLU 106 HA GLU 106 2.957 1.758 -51.061 824 HB2 GLU 106 HB2 GLU 106 0.800 2.270 -49.739 825 HB3 GLU 106 HB3 GLU 106 0.506 0.524 -49.751 826 HG2 GLU 106 HG2 GLU 106 2.657 0.166 -48.559 827 HG3 GLU 106 HG3 GLU 106 3.006 1.899 -48.660 828 H GLY 107 H GLY 107 1.887 -0.030 -53.400 829 HA2 GLY 107 HA2 GLY 107 3.480 -2.334 -52.827 830 HA3 GLY 107 HA3 GLY 107 1.771 -2.719 -52.557 831 H TYR 108 H TYR 108 3.107 -0.476 -55.122 832 HA TYR 108 HA TYR 108 1.555 -1.455 -57.165 833 HB2 TYR 108 HB2 TYR 108 3.018 0.631 -56.755 834 HB3 TYR 108 HB3 TYR 108 4.360 -0.320 -57.389 835 HD1 TYR 108 HD2 TYR 108 1.015 1.035 -58.055 836 HD2 TYR 108 HD1 TYR 108 4.547 -0.643 -59.828 837 HE1 TYR 108 HE2 TYR 108 0.407 2.077 -60.184 838 HE2 TYR 108 HE1 TYR 108 3.836 0.203 -62.049 839 HH TYR 108 HH TYR 108 2.296 1.453 -63.211 840 H ASP 109 H ASP 109 2.323 -2.426 -59.183 841 HA ASP 109 HA ASP 109 4.766 -3.996 -59.140 842 HB2 ASP 109 HB2 ASP 109 3.097 -5.541 -58.116 843 HB3 ASP 109 HB3 ASP 109 2.037 -5.325 -59.522 844 H ARG 110 H ARG 110 5.320 -4.747 -61.329 845 HA ARG 110 HA ARG 110 4.773 -2.709 -63.230 846 HB2 ARG 110 HB2 ARG 110 6.857 -4.092 -63.067 847 HB3 ARG 110 HB3 ARG 110 5.953 -5.456 -63.768 848 HG2 ARG 110 HG2 ARG 110 5.387 -4.028 -65.738 849 HG3 ARG 110 HG3 ARG 110 6.323 -2.696 -65.028 850 HD2 ARG 110 HD2 ARG 110 7.424 -5.438 -65.760 851 HD3 ARG 110 HD3 ARG 110 7.579 -3.968 -66.757 852 HE ARG 110 HE ARG 110 8.595 -3.313 -64.226 853 HH11 ARG 110 HH11 ARG 110 9.355 -5.603 -66.815 854 HH12 ARG 110 HH12 ARG 110 11.067 -5.606 -66.465 855 HH21 ARG 110 HH21 ARG 110 10.828 -3.366 -63.774 856 HH22 ARG 110 HH22 ARG 110 11.895 -4.362 -64.735 857 H SER 111 H SER 111 2.877 -2.388 -64.061 858 HA SER 111 HA SER 111 0.766 -2.753 -64.895 859 HB2 SER 111 HB2 SER 111 0.911 -3.600 -67.211 860 HB3 SER 111 HB3 SER 111 2.196 -2.446 -66.821 861 HG SER 111 HG SER 111 2.421 -5.269 -66.794 862 H1 ALA 701 H1 ALA 701 17.289 22.274 -15.879 863 H2 ALA 701 H2 ALA 701 18.099 20.897 -16.293 864 H3 ALA 701 H3 ALA 701 18.782 21.975 -15.255 865 HA ALA 701 HA ALA 701 17.126 21.572 -13.613 866 HB1 ALA 701 HB1 ALA 701 15.289 21.033 -15.166 867 HB2 ALA 701 HB2 ALA 701 16.093 19.502 -15.594 868 HB3 ALA 701 HB3 ALA 701 15.491 19.763 -13.944 869 H ASP 702 H ASP 702 17.101 19.565 -12.200 870 HA ASP 702 HA ASP 702 19.184 17.585 -12.826 871 HB2 ASP 702 HB2 ASP 702 20.337 19.578 -11.792 872 HB3 ASP 702 HB3 ASP 702 19.324 19.369 -10.357 873 H THR 703 H THR 703 16.207 17.862 -12.272 874 HA THR 703 HA THR 703 15.551 16.705 -9.755 875 HB THR 703 HB THR 703 13.945 17.863 -11.148 876 HG1 THR 703 HG1 THR 703 12.310 16.366 -10.841 877 HG21 THR 703 HG21 THR 703 12.983 16.728 -13.129 878 HG22 THR 703 HG22 THR 703 14.696 17.130 -13.373 879 HG23 THR 703 HG23 THR 703 14.226 15.458 -13.003 880 H GLU 704 H GLU 704 15.076 14.634 -9.092 881 HA GLU 704 HA GLU 704 16.825 12.610 -10.149 882 HB2 GLU 704 HB2 GLU 704 15.858 11.206 -8.379 883 HB3 GLU 704 HB3 GLU 704 16.344 12.798 -7.775 884 HG2 GLU 704 HG2 GLU 704 13.992 13.577 -7.973 885 HG3 GLU 704 HG3 GLU 704 13.512 11.952 -8.489 886 H MET 705 H MET 705 13.535 13.500 -10.975 887 HA MET 705 HA MET 705 12.781 10.907 -11.980 888 HB2 MET 705 HB2 MET 705 11.119 12.147 -13.333 889 HB3 MET 705 HB3 MET 705 11.087 12.331 -11.579 890 HG2 MET 705 HG2 MET 705 12.591 14.445 -12.052 891 HG3 MET 705 HG3 MET 705 11.994 14.311 -13.705 892 HE1 MET 705 HE1 MET 705 10.841 13.884 -10.136 893 HE2 MET 705 HE2 MET 705 9.212 14.635 -10.050 894 HE3 MET 705 HE3 MET 705 9.472 13.130 -10.978 895 H GLU 706 H GLU 706 14.999 13.366 -13.041 896 HA GLU 706 HA GLU 706 15.024 12.334 -15.792 897 HB2 GLU 706 HB2 GLU 706 15.321 14.819 -14.957 898 HB3 GLU 706 HB3 GLU 706 17.012 14.337 -14.722 899 HG2 GLU 706 HG2 GLU 706 17.028 13.526 -17.117 900 HG3 GLU 706 HG3 GLU 706 15.352 14.075 -17.270 901 H GLU 707 H GLU 707 15.830 11.009 -13.094 902 HA GLU 707 HA GLU 707 18.277 9.642 -14.087 903 HB2 GLU 707 HB2 GLU 707 17.606 10.489 -11.237 904 HB3 GLU 707 HB3 GLU 707 18.909 9.390 -11.664 905 HG2 GLU 707 HG2 GLU 707 18.659 12.277 -12.612 906 HG3 GLU 707 HG3 GLU 707 19.700 11.705 -11.305 907 H VAL 708 H VAL 708 18.306 7.461 -12.406 908 HA VAL 708 HA VAL 708 15.834 6.293 -13.491 909 HB VAL 708 HB VAL 708 16.921 4.243 -13.605 910 HG11 VAL 708 HG11 VAL 708 18.953 6.417 -14.250 911 HG12 VAL 708 HG12 VAL 708 18.898 4.790 -14.935 912 HG13 VAL 708 HG13 VAL 708 17.562 5.932 -15.263 913 HG21 VAL 708 HG21 VAL 708 19.320 3.945 -12.874 914 HG22 VAL 708 HG22 VAL 708 19.149 5.433 -11.907 915 HG23 VAL 708 HG23 VAL 708 18.161 3.980 -11.544 916 H ASP 709 H ASP 709 17.672 5.419 -10.459 917 HA ASP 709 HA ASP 709 15.141 4.381 -9.426 918 HB2 ASP 709 HB2 ASP 709 16.502 3.488 -7.607 919 HB3 ASP 709 HB3 ASP 709 16.992 2.941 -9.198 Start of MODEL 8 1 H1 SER 2 H1 SER 2 22.762 -6.225 -1.423 2 H2 SER 2 H2 SER 2 21.990 -5.091 -2.348 3 H3 SER 2 H3 SER 2 23.289 -4.667 -1.439 4 HA SER 2 HA SER 2 23.857 -4.820 -3.752 5 HB2 SER 2 HB2 SER 2 25.130 -6.967 -2.003 6 HB3 SER 2 HB3 SER 2 25.849 -6.225 -3.452 7 HG SER 2 HG SER 2 26.547 -5.231 -1.517 8 H GLN 3 H GLN 3 21.348 -6.090 -3.896 9 HA GLN 3 HA GLN 3 21.955 -8.385 -5.651 10 HB2 GLN 3 HB2 GLN 3 20.015 -8.495 -3.303 11 HB3 GLN 3 HB3 GLN 3 20.152 -9.725 -4.572 12 HG2 GLN 3 HG2 GLN 3 22.540 -10.072 -3.950 13 HG3 GLN 3 HG3 GLN 3 22.343 -8.938 -2.603 14 HE21 GLN 3 HE22 GLN 3 23.155 -11.620 -2.229 15 HE22 GLN 3 HE21 GLN 3 21.877 -12.463 -1.369 16 H PHE 4 H PHE 4 20.913 -5.471 -5.740 17 HA PHE 4 HA PHE 4 18.662 -5.921 -7.578 18 HB2 PHE 4 HB2 PHE 4 17.474 -5.867 -5.449 19 HB3 PHE 4 HB3 PHE 4 18.453 -4.523 -4.876 20 HD1 PHE 4 HD2 PHE 4 18.127 -2.189 -5.864 21 HD2 PHE 4 HD1 PHE 4 15.480 -5.480 -6.728 22 HE1 PHE 4 HE2 PHE 4 16.338 -0.603 -6.473 23 HE2 PHE 4 HE1 PHE 4 13.720 -3.890 -7.373 24 HZ PHE 4 HZ PHE 4 14.182 -1.411 -7.314 25 H GLU 5 H GLU 5 20.712 -3.840 -5.610 26 HA GLU 5 HA GLU 5 20.648 -1.424 -6.903 27 HB2 GLU 5 HB2 GLU 5 22.952 -2.993 -5.692 28 HB3 GLU 5 HB3 GLU 5 23.006 -1.284 -6.066 29 HG2 GLU 5 HG2 GLU 5 22.485 -1.362 -3.751 30 HG3 GLU 5 HG3 GLU 5 20.983 -0.932 -4.596 31 H LYS 6 H LYS 6 22.729 -4.342 -7.771 32 HA LYS 6 HA LYS 6 24.266 -2.776 -9.589 33 HB2 LYS 6 HB2 LYS 6 23.948 -5.647 -8.874 34 HB3 LYS 6 HB3 LYS 6 24.498 -5.338 -10.515 35 HG2 LYS 6 HG2 LYS 6 26.454 -5.541 -9.145 36 HG3 LYS 6 HG3 LYS 6 26.294 -3.857 -9.675 37 HD2 LYS 6 HD2 LYS 6 26.958 -3.918 -7.318 38 HD3 LYS 6 HD3 LYS 6 25.325 -3.256 -7.459 39 HE2 LYS 6 HE2 LYS 6 25.425 -4.818 -5.600 40 HE3 LYS 6 HE3 LYS 6 24.378 -5.478 -6.864 41 HZ1 LYS 6 HZ1 LYS 6 27.190 -6.237 -6.405 42 HZ2 LYS 6 HZ2 LYS 6 25.881 -7.142 -6.009 43 HZ3 LYS 6 HZ3 LYS 6 26.220 -6.843 -7.587 44 H GLN 7 H GLN 7 21.430 -4.969 -10.002 45 HA GLN 7 HA GLN 7 21.251 -4.729 -12.817 46 HB2 GLN 7 HB2 GLN 7 19.100 -5.292 -10.760 47 HB3 GLN 7 HB3 GLN 7 19.098 -5.725 -12.491 48 HG2 GLN 7 HG2 GLN 7 21.339 -6.911 -12.034 49 HG3 GLN 7 HG3 GLN 7 20.987 -6.728 -10.304 50 HE21 GLN 7 HE22 GLN 7 19.496 -7.881 -13.384 51 HE22 GLN 7 HE21 GLN 7 18.710 -9.249 -12.633 52 H LYS 8 H LYS 8 20.809 -2.383 -10.338 53 HA LYS 8 HA LYS 8 18.951 -0.734 -11.961 54 HB2 LYS 8 HB2 LYS 8 18.462 -1.450 -9.594 55 HB3 LYS 8 HB3 LYS 8 19.880 -0.523 -9.085 56 HG2 LYS 8 HG2 LYS 8 18.843 1.550 -9.969 57 HG3 LYS 8 HG3 LYS 8 17.435 0.591 -10.525 58 HD2 LYS 8 HD2 LYS 8 16.953 1.569 -8.311 59 HD3 LYS 8 HD3 LYS 8 17.088 -0.196 -8.216 60 HE2 LYS 8 HE2 LYS 8 19.193 -0.111 -7.162 61 HE3 LYS 8 HE3 LYS 8 19.550 1.487 -7.832 62 HZ1 LYS 8 HZ1 LYS 8 17.607 0.929 -5.680 63 HZ2 LYS 8 HZ2 LYS 8 19.097 1.594 -5.479 64 HZ3 LYS 8 HZ3 LYS 8 17.940 2.415 -6.294 65 H GLU 9 H GLU 9 22.258 -1.131 -11.099 66 HA GLU 9 HA GLU 9 22.934 1.741 -11.553 67 HB2 GLU 9 HB2 GLU 9 24.393 -0.554 -10.229 68 HB3 GLU 9 HB3 GLU 9 25.119 1.040 -10.525 69 HG2 GLU 9 HG2 GLU 9 22.411 0.856 -9.242 70 HG3 GLU 9 HG3 GLU 9 23.823 0.477 -8.251 71 H GLN 10 H GLN 10 23.378 -1.557 -12.684 72 HA GLN 10 HA GLN 10 25.423 -0.939 -14.640 73 HB2 GLN 10 HB2 GLN 10 24.716 -3.267 -13.668 74 HB3 GLN 10 HB3 GLN 10 23.365 -3.181 -14.809 75 HG2 GLN 10 HG2 GLN 10 25.357 -2.618 -16.527 76 HG3 GLN 10 HG3 GLN 10 26.309 -3.488 -15.308 77 HE21 GLN 10 HE22 GLN 10 23.625 -3.658 -17.626 78 HE22 GLN 10 HE21 GLN 10 23.504 -5.400 -17.694 79 H GLY 11 H GLY 11 21.836 -1.264 -14.880 80 HA2 GLY 11 HA2 GLY 11 21.847 -0.486 -17.691 81 HA3 GLY 11 HA3 GLY 11 20.434 -0.705 -16.647 82 H ASN 12 H ASN 12 22.180 1.122 -14.720 83 HA ASN 12 HA ASN 12 20.664 3.490 -15.001 84 HB2 ASN 12 HB2 ASN 12 22.081 2.323 -13.122 85 HB3 ASN 12 HB3 ASN 12 23.396 3.360 -13.723 86 HD21 ASN 12 HD22 ASN 12 21.598 3.095 -11.214 87 HD22 ASN 12 HD21 ASN 12 21.184 4.741 -10.830 88 H SER 13 H SER 13 23.789 2.485 -16.396 89 HA SER 13 HA SER 13 24.166 5.239 -17.429 90 HB2 SER 13 HB2 SER 13 26.337 4.415 -18.195 91 HB3 SER 13 HB3 SER 13 26.097 4.085 -16.460 92 HG SER 13 HG SER 13 26.914 2.262 -17.592 93 H LEU 14 H LEU 14 23.414 1.897 -18.543 94 HA LEU 14 HA LEU 14 23.526 2.221 -21.314 95 HB2 LEU 14 HB2 LEU 14 21.611 0.677 -19.565 96 HB3 LEU 14 HB3 LEU 14 21.846 0.443 -21.292 97 HG LEU 14 HG LEU 14 23.571 -0.372 -19.016 98 HD11 LEU 14 HD11 LEU 14 23.246 -1.123 -21.915 99 HD12 LEU 14 HD12 LEU 14 24.028 -2.141 -20.656 100 HD13 LEU 14 HD13 LEU 14 22.267 -1.792 -20.570 101 HD21 LEU 14 HD21 LEU 14 25.192 1.229 -20.010 102 HD22 LEU 14 HD22 LEU 14 25.640 -0.440 -20.371 103 HD23 LEU 14 HD23 LEU 14 24.857 0.537 -21.629 104 H PHE 15 H PHE 15 21.023 3.325 -18.994 105 HA PHE 15 HA PHE 15 19.048 4.008 -20.967 106 HB2 PHE 15 HB2 PHE 15 18.271 3.691 -18.781 107 HB3 PHE 15 HB3 PHE 15 19.623 4.583 -18.076 108 HD1 PHE 15 HD2 PHE 15 16.568 5.135 -20.187 109 HD2 PHE 15 HD1 PHE 15 19.369 6.777 -17.366 110 HE1 PHE 15 HE2 PHE 15 15.151 7.155 -19.945 111 HE2 PHE 15 HE1 PHE 15 17.875 8.688 -16.983 112 HZ PHE 15 HZ PHE 15 15.790 8.933 -18.322 113 H LYS 16 H LYS 16 21.892 5.628 -19.604 114 HA LYS 16 HA LYS 16 20.990 8.214 -20.576 115 HB2 LYS 16 HB2 LYS 16 23.662 7.494 -19.348 116 HB3 LYS 16 HB3 LYS 16 22.845 9.087 -19.363 117 HG2 LYS 16 HG2 LYS 16 21.013 8.064 -17.971 118 HG3 LYS 16 HG3 LYS 16 21.933 6.551 -17.954 119 HD2 LYS 16 HD2 LYS 16 22.499 7.579 -15.938 120 HD3 LYS 16 HD3 LYS 16 23.897 7.881 -16.990 121 HE2 LYS 16 HE2 LYS 16 22.965 10.146 -17.513 122 HE3 LYS 16 HE3 LYS 16 21.594 9.808 -16.436 123 HZ1 LYS 16 HZ1 LYS 16 23.117 9.647 -14.619 124 HZ2 LYS 16 HZ2 LYS 16 24.415 9.922 -15.601 125 HZ3 LYS 16 HZ3 LYS 16 23.288 11.097 -15.349 126 H GLN 17 H GLN 17 22.484 5.572 -22.090 127 HA GLN 17 HA GLN 17 24.495 7.130 -23.595 128 HB2 GLN 17 HB2 GLN 17 23.865 4.176 -23.223 129 HB3 GLN 17 HB3 GLN 17 24.957 4.748 -24.480 130 HG2 GLN 17 HG2 GLN 17 26.247 6.021 -22.726 131 HG3 GLN 17 HG3 GLN 17 25.295 5.196 -21.494 132 HE21 GLN 17 HE22 GLN 17 25.147 2.685 -21.921 133 HE22 GLN 17 HE21 GLN 17 26.663 1.891 -22.298 134 H GLY 18 H GLY 18 21.277 5.781 -23.981 135 HA2 GLY 18 HA2 GLY 18 20.344 6.807 -26.212 136 HA3 GLY 18 HA3 GLY 18 21.632 5.723 -26.913 137 H LEU 19 H LEU 19 21.219 3.813 -24.729 138 HA LEU 19 HA LEU 19 19.294 2.298 -26.387 139 HB2 LEU 19 HB2 LEU 19 20.675 0.353 -25.429 140 HB3 LEU 19 HB3 LEU 19 21.141 1.255 -26.841 141 HG LEU 19 HG LEU 19 22.554 2.649 -24.907 142 HD11 LEU 19 HD11 LEU 19 22.416 -0.252 -23.991 143 HD12 LEU 19 HD12 LEU 19 23.406 1.037 -23.266 144 HD13 LEU 19 HD13 LEU 19 21.627 1.109 -23.159 145 HD21 LEU 19 HD21 LEU 19 23.525 1.639 -26.932 146 HD22 LEU 19 HD22 LEU 19 24.493 1.259 -25.490 147 HD23 LEU 19 HD23 LEU 19 23.415 0.030 -26.189 148 H TYR 20 H TYR 20 17.924 3.579 -25.029 149 HA TYR 20 HA TYR 20 17.341 3.302 -22.360 150 HB2 TYR 20 HB2 TYR 20 15.366 3.266 -24.648 151 HB3 TYR 20 HB3 TYR 20 15.072 3.983 -23.088 152 HD1 TYR 20 HD2 TYR 20 17.386 5.532 -22.449 153 HD2 TYR 20 HD1 TYR 20 15.569 4.940 -26.299 154 HE1 TYR 20 HE2 TYR 20 18.390 7.677 -23.256 155 HE2 TYR 20 HE1 TYR 20 16.565 7.065 -27.108 156 HH TYR 20 HH TYR 20 17.866 8.869 -26.588 157 H ARG 21 H ARG 21 16.566 1.020 -25.031 158 HA ARG 21 HA ARG 21 14.739 -0.568 -23.434 159 HB2 ARG 21 HB2 ARG 21 15.411 -0.353 -26.130 160 HB3 ARG 21 HB3 ARG 21 16.218 -1.856 -25.682 161 HG2 ARG 21 HG2 ARG 21 13.307 -1.149 -25.638 162 HG3 ARG 21 HG3 ARG 21 14.130 -2.499 -26.443 163 HD2 ARG 21 HD2 ARG 21 14.513 -3.585 -24.236 164 HD3 ARG 21 HD3 ARG 21 13.666 -2.258 -23.429 165 HE ARG 21 HE ARG 21 12.485 -4.512 -24.698 166 HH11 ARG 21 HH11 ARG 21 11.942 -1.029 -24.287 167 HH12 ARG 21 HH12 ARG 21 10.232 -1.145 -24.625 168 HH21 ARG 21 HH21 ARG 21 10.245 -4.632 -25.030 169 HH22 ARG 21 HH22 ARG 21 9.272 -3.179 -24.985 170 H GLU 22 H GLU 22 18.187 -0.851 -24.388 171 HA GLU 22 HA GLU 22 18.643 -3.370 -23.127 172 HB2 GLU 22 HB2 GLU 22 20.559 -1.056 -23.572 173 HB3 GLU 22 HB3 GLU 22 21.013 -2.738 -23.214 174 HG2 GLU 22 HG2 GLU 22 19.815 -3.454 -25.284 175 HG3 GLU 22 HG3 GLU 22 19.506 -1.756 -25.678 176 H ALA 23 H ALA 23 18.334 -0.100 -21.886 177 HA ALA 23 HA ALA 23 19.557 -0.584 -19.326 178 HB1 ALA 23 HB1 ALA 23 18.692 1.588 -18.791 179 HB2 ALA 23 HB2 ALA 23 19.188 1.643 -20.506 180 HB3 ALA 23 HB3 ALA 23 17.481 1.515 -20.087 181 H VAL 24 H VAL 24 16.192 -0.799 -20.654 182 HA VAL 24 HA VAL 24 14.943 -1.147 -18.135 183 HB VAL 24 HB VAL 24 13.068 -1.166 -19.255 184 HG11 VAL 24 HG11 VAL 24 14.622 -0.343 -21.656 185 HG12 VAL 24 HG12 VAL 24 12.992 0.183 -21.162 186 HG13 VAL 24 HG13 VAL 24 14.407 0.675 -20.196 187 HG21 VAL 24 HG21 VAL 24 13.018 -3.306 -20.011 188 HG22 VAL 24 HG22 VAL 24 12.406 -2.207 -21.249 189 HG23 VAL 24 HG23 VAL 24 14.044 -2.934 -21.442 190 H HIS 25 H HIS 25 16.370 -2.993 -20.597 191 HA HIS 25 HA HIS 25 15.393 -5.545 -20.084 192 HB2 HIS 25 HB2 HIS 25 17.031 -4.286 -21.888 193 HB3 HIS 25 HB3 HIS 25 18.187 -5.315 -21.123 194 HD2 HIS 25 HD2 HIS 25 16.343 -5.180 -24.037 195 HE1 HIS 25 HE1 HIS 25 15.467 -9.211 -23.015 196 HE2 HIS 25 HE2 HIS 25 15.434 -7.502 -24.894 197 H CYS 26 H CYS 26 17.351 -3.671 -18.087 198 HA CYS 26 HA CYS 26 18.290 -6.069 -16.574 199 HB2 CYS 26 HB2 CYS 26 19.540 -3.297 -16.714 200 HB3 CYS 26 HB3 CYS 26 20.103 -4.655 -15.710 201 HG CYS 26 HG CYS 26 19.801 -4.489 -19.000 202 H TYR 27 H TYR 27 16.790 -2.884 -16.621 203 HA TYR 27 HA TYR 27 16.069 -2.500 -13.898 204 HB2 TYR 27 HB2 TYR 27 14.737 -1.994 -16.567 205 HB3 TYR 27 HB3 TYR 27 14.103 -1.278 -15.156 206 HD1 TYR 27 HD1 TYR 27 17.531 -1.058 -14.476 207 HD2 TYR 27 HD2 TYR 27 14.511 0.524 -17.106 208 HE1 TYR 27 HE1 TYR 27 18.898 0.974 -14.835 209 HE2 TYR 27 HE2 TYR 27 15.828 2.566 -17.428 210 HH TYR 27 HH TYR 27 19.075 2.972 -15.912 211 H ASP 28 H ASP 28 14.744 -4.589 -16.475 212 HA ASP 28 HA ASP 28 12.204 -5.034 -15.335 213 HB2 ASP 28 HB2 ASP 28 12.873 -5.504 -17.667 214 HB3 ASP 28 HB3 ASP 28 13.866 -6.864 -17.096 215 H GLN 29 H GLN 29 15.394 -6.469 -14.630 216 HA GLN 29 HA GLN 29 14.246 -8.639 -13.120 217 HB2 GLN 29 HB2 GLN 29 17.058 -7.511 -13.229 218 HB3 GLN 29 HB3 GLN 29 16.573 -8.955 -12.312 219 HG2 GLN 29 HG2 GLN 29 17.114 -10.073 -14.195 220 HG3 GLN 29 HG3 GLN 29 15.499 -9.605 -14.706 221 HE21 GLN 29 HE22 GLN 29 15.310 -8.495 -16.605 222 HE22 GLN 29 HE21 GLN 29 16.630 -7.693 -17.436 223 H LEU 30 H LEU 30 14.838 -5.255 -12.419 224 HA LEU 30 HA LEU 30 15.070 -5.429 -9.546 225 HB2 LEU 30 HB2 LEU 30 13.677 -3.359 -11.274 226 HB3 LEU 30 HB3 LEU 30 14.241 -3.105 -9.610 227 HG LEU 30 HG LEU 30 15.868 -3.530 -12.101 228 HD11 LEU 30 HD11 LEU 30 15.745 -1.241 -10.110 229 HD12 LEU 30 HD12 LEU 30 16.780 -1.320 -11.563 230 HD13 LEU 30 HD13 LEU 30 15.012 -1.256 -11.734 231 HD21 LEU 30 HD21 LEU 30 16.948 -4.762 -10.235 232 HD22 LEU 30 HD22 LEU 30 17.876 -3.301 -10.626 233 HD23 LEU 30 HD23 LEU 30 16.818 -3.317 -9.200 234 H ILE 31 H ILE 31 12.394 -5.472 -11.889 235 HA ILE 31 HA ILE 31 10.370 -5.476 -9.782 236 HB ILE 31 HB ILE 31 9.987 -6.172 -12.724 237 HG12 ILE 31 HG12 ILE 31 9.083 -3.545 -12.336 238 HG13 ILE 31 HG13 ILE 31 10.603 -3.567 -11.438 239 HG21 ILE 31 HG21 ILE 31 8.310 -4.986 -10.511 240 HG22 ILE 31 HG22 ILE 31 7.724 -5.348 -12.157 241 HG23 ILE 31 HG23 ILE 31 8.230 -6.696 -11.088 242 HD11 ILE 31 HD11 ILE 31 11.767 -4.412 -13.419 243 HD12 ILE 31 HD12 ILE 31 10.228 -4.434 -14.336 244 HD13 ILE 31 HD13 ILE 31 10.916 -2.889 -13.790 245 H THR 32 H THR 32 11.981 -7.934 -11.881 246 HA THR 32 HA THR 32 10.198 -9.980 -10.862 247 HB THR 32 HB THR 32 12.914 -9.938 -12.241 248 HG1 THR 32 HG1 THR 32 10.343 -10.726 -13.153 249 HG21 THR 32 HG21 THR 32 11.273 -12.431 -11.678 250 HG22 THR 32 HG22 THR 32 12.681 -12.324 -12.777 251 HG23 THR 32 HG23 THR 32 12.900 -12.039 -11.049 252 H ALA 33 H ALA 33 13.198 -8.527 -9.674 253 HA ALA 33 HA ALA 33 13.578 -10.681 -7.736 254 HB1 ALA 33 HB1 ALA 33 14.855 -7.910 -7.933 255 HB2 ALA 33 HB2 ALA 33 15.410 -9.225 -6.898 256 HB3 ALA 33 HB3 ALA 33 15.514 -9.402 -8.664 257 H GLN 34 H GLN 34 12.061 -7.498 -7.964 258 HA GLN 34 HA GLN 34 10.847 -7.874 -5.331 259 HB2 GLN 34 HB2 GLN 34 13.109 -6.461 -5.574 260 HB3 GLN 34 HB3 GLN 34 12.045 -5.194 -6.122 261 HG2 GLN 34 HG2 GLN 34 10.956 -5.131 -3.926 262 HG3 GLN 34 HG3 GLN 34 11.642 -6.721 -3.522 263 HE21 GLN 34 HE22 GLN 34 13.555 -4.466 -5.348 264 HE22 GLN 34 HE21 GLN 34 14.771 -4.178 -4.152 265 HA PRO 35 HA PRO 35 8.181 -6.620 -8.858 266 HB2 PRO 35 HB2 PRO 35 6.190 -8.518 -8.245 267 HB3 PRO 35 HB3 PRO 35 7.542 -8.661 -9.391 268 HG2 PRO 35 HG2 PRO 35 7.284 -10.028 -6.787 269 HG3 PRO 35 HG3 PRO 35 8.431 -10.313 -8.138 270 HD2 PRO 35 HD2 PRO 35 9.009 -9.004 -5.705 271 HD3 PRO 35 HD3 PRO 35 10.047 -9.326 -7.117 272 H GLN 36 H GLN 36 7.939 -6.805 -5.606 273 HA GLN 36 HA GLN 36 5.826 -4.711 -5.589 274 HB2 GLN 36 HB2 GLN 36 6.880 -6.242 -3.173 275 HB3 GLN 36 HB3 GLN 36 5.547 -5.088 -3.192 276 HG2 GLN 36 HG2 GLN 36 4.167 -6.834 -3.535 277 HG3 GLN 36 HG3 GLN 36 4.840 -6.944 -5.172 278 HE21 GLN 36 HE22 GLN 36 6.803 -8.299 -5.442 279 HE22 GLN 36 HE21 GLN 36 7.086 -9.658 -4.365 280 H ASN 37 H ASN 37 8.046 -3.794 -6.642 281 HA ASN 37 HA ASN 37 8.911 -1.826 -4.613 282 HB2 ASN 37 HB2 ASN 37 11.100 -2.464 -4.662 283 HB3 ASN 37 HB3 ASN 37 10.545 -3.911 -5.479 284 HD21 ASN 37 HD22 ASN 37 10.651 -4.039 -7.739 285 HD22 ASN 37 HD21 ASN 37 11.782 -3.039 -8.650 286 HA PRO 38 HA PRO 38 7.749 0.733 -8.058 287 HB2 PRO 38 HB2 PRO 38 9.256 2.866 -6.678 288 HB3 PRO 38 HB3 PRO 38 7.489 2.766 -7.002 289 HG2 PRO 38 HG2 PRO 38 8.691 2.568 -4.516 290 HG3 PRO 38 HG3 PRO 38 7.198 1.649 -4.928 291 HD2 PRO 38 HD2 PRO 38 10.093 0.717 -4.969 292 HD3 PRO 38 HD3 PRO 38 8.635 -0.090 -4.332 293 H VAL 39 H VAL 39 11.186 1.385 -6.867 294 HA VAL 39 HA VAL 39 11.809 2.773 -9.215 295 HB VAL 39 HB VAL 39 13.158 2.898 -7.277 296 HG11 VAL 39 HG11 VAL 39 14.918 1.672 -6.767 297 HG12 VAL 39 HG12 VAL 39 13.397 0.738 -6.467 298 HG13 VAL 39 HG13 VAL 39 14.474 0.364 -7.906 299 HG21 VAL 39 HG21 VAL 39 14.689 1.666 -9.606 300 HG22 VAL 39 HG22 VAL 39 13.999 3.316 -9.710 301 HG23 VAL 39 HG23 VAL 39 15.308 2.935 -8.529 302 H GLY 40 H GLY 40 11.595 -0.504 -8.644 303 HA2 GLY 40 HA2 GLY 40 12.726 -1.786 -10.978 304 HA3 GLY 40 HA3 GLY 40 11.270 -2.299 -10.211 305 H TYR 41 H TYR 41 9.472 -0.304 -10.623 306 HA TYR 41 HA TYR 41 8.905 -0.464 -13.458 307 HB2 TYR 41 HB2 TYR 41 7.646 0.957 -11.079 308 HB3 TYR 41 HB3 TYR 41 6.900 0.912 -12.637 309 HD1 TYR 41 HD1 TYR 41 6.338 -1.383 -13.679 310 HD2 TYR 41 HD2 TYR 41 7.330 -0.802 -9.544 311 HE1 TYR 41 HE1 TYR 41 5.287 -3.565 -13.138 312 HE2 TYR 41 HE2 TYR 41 6.316 -3.010 -8.984 313 HH TYR 41 HH TYR 41 4.787 -5.076 -11.493 314 H SER 42 H SER 42 10.255 1.907 -11.224 315 HA SER 42 HA SER 42 9.515 4.264 -12.688 316 HB2 SER 42 HB2 SER 42 10.187 4.232 -10.250 317 HB3 SER 42 HB3 SER 42 11.795 3.773 -10.737 318 HG SER 42 HG SER 42 11.694 5.997 -10.429 319 H ASN 43 H ASN 43 12.442 2.193 -12.721 320 HA ASN 43 HA ASN 43 13.872 4.006 -14.511 321 HB2 ASN 43 HB2 ASN 43 14.434 1.183 -13.513 322 HB3 ASN 43 HB3 ASN 43 15.545 2.167 -14.482 323 HD21 ASN 43 HD22 ASN 43 16.670 1.437 -12.264 324 HD22 ASN 43 HD21 ASN 43 16.666 2.715 -11.062 325 H LYS 44 H LYS 44 12.294 0.780 -14.773 326 HA LYS 44 HA LYS 44 12.541 0.339 -17.588 327 HB2 LYS 44 HB2 LYS 44 11.904 -1.311 -15.937 328 HB3 LYS 44 HB3 LYS 44 10.408 -0.427 -15.581 329 HG2 LYS 44 HG2 LYS 44 9.610 -0.788 -17.877 330 HG3 LYS 44 HG3 LYS 44 11.141 -1.583 -18.312 331 HD2 LYS 44 HD2 LYS 44 10.713 -3.338 -16.613 332 HD3 LYS 44 HD3 LYS 44 9.174 -2.550 -16.196 333 HE2 LYS 44 HE2 LYS 44 8.370 -2.873 -18.500 334 HE3 LYS 44 HE3 LYS 44 9.908 -3.621 -18.953 335 HZ1 LYS 44 HZ1 LYS 44 8.231 -5.265 -18.452 336 HZ2 LYS 44 HZ2 LYS 44 9.453 -5.370 -17.367 337 HZ3 LYS 44 HZ3 LYS 44 8.031 -4.666 -16.935 338 H ALA 45 H ALA 45 10.465 2.507 -15.682 339 HA ALA 45 HA ALA 45 8.582 2.968 -17.867 340 HB1 ALA 45 HB1 ALA 45 9.071 4.466 -15.254 341 HB2 ALA 45 HB2 ALA 45 7.699 4.721 -16.353 342 HB3 ALA 45 HB3 ALA 45 7.885 3.171 -15.498 343 H MET 46 H MET 46 11.262 4.860 -16.329 344 HA MET 46 HA MET 46 10.839 7.184 -17.874 345 HB2 MET 46 HB2 MET 46 12.209 7.038 -15.807 346 HB3 MET 46 HB3 MET 46 13.422 6.101 -16.696 347 HG2 MET 46 HG2 MET 46 14.211 8.315 -16.596 348 HG3 MET 46 HG3 MET 46 13.695 8.053 -18.258 349 HE1 MET 46 HE1 MET 46 10.931 10.621 -18.821 350 HE2 MET 46 HE2 MET 46 12.058 9.428 -19.502 351 HE3 MET 46 HE3 MET 46 10.621 8.893 -18.603 352 H ALA 47 H ALA 47 12.536 4.156 -18.595 353 HA ALA 47 HA ALA 47 13.885 5.136 -20.946 354 HB1 ALA 47 HB1 ALA 47 14.623 3.142 -19.708 355 HB2 ALA 47 HB2 ALA 47 13.063 2.357 -20.041 356 HB3 ALA 47 HB3 ALA 47 14.188 2.703 -21.376 357 H LEU 48 H LEU 48 10.640 3.736 -20.307 358 HA LEU 48 HA LEU 48 10.045 3.227 -23.076 359 HB2 LEU 48 HB2 LEU 48 8.291 3.656 -20.632 360 HB3 LEU 48 HB3 LEU 48 7.649 3.225 -22.230 361 HG LEU 48 HG LEU 48 9.703 1.586 -20.712 362 HD11 LEU 48 HD11 LEU 48 7.577 1.641 -19.493 363 HD12 LEU 48 HD12 LEU 48 6.687 1.253 -20.985 364 HD13 LEU 48 HD13 LEU 48 7.786 0.051 -20.263 365 HD21 LEU 48 HD21 LEU 48 7.963 0.812 -23.079 366 HD22 LEU 48 HD22 LEU 48 9.676 1.279 -23.200 367 HD23 LEU 48 HD23 LEU 48 9.205 -0.178 -22.297 368 H ILE 49 H ILE 49 10.085 6.175 -21.161 369 HA ILE 49 HA ILE 49 8.422 7.689 -23.046 370 HB ILE 49 HB ILE 49 10.338 8.296 -20.753 371 HG12 ILE 49 HG12 ILE 49 8.314 9.621 -19.972 372 HG13 ILE 49 HG13 ILE 49 7.414 8.911 -21.323 373 HG21 ILE 49 HG21 ILE 49 9.184 10.361 -22.649 374 HG22 ILE 49 HG22 ILE 49 9.998 10.704 -21.115 375 HG23 ILE 49 HG23 ILE 49 10.918 9.956 -22.433 376 HD11 ILE 49 HD11 ILE 49 8.729 7.429 -19.016 377 HD12 ILE 49 HD12 ILE 49 6.991 7.677 -19.281 378 HD13 ILE 49 HD13 ILE 49 7.904 6.647 -20.401 379 H LYS 50 H LYS 50 11.941 7.350 -22.383 380 HA LYS 50 HA LYS 50 12.802 8.849 -24.607 381 HB2 LYS 50 HB2 LYS 50 13.862 7.279 -22.426 382 HB3 LYS 50 HB3 LYS 50 14.672 6.826 -23.928 383 HG2 LYS 50 HG2 LYS 50 15.863 8.701 -22.959 384 HG3 LYS 50 HG3 LYS 50 15.035 9.251 -24.434 385 HD2 LYS 50 HD2 LYS 50 14.698 10.936 -22.766 386 HD3 LYS 50 HD3 LYS 50 13.147 10.104 -22.924 387 HE2 LYS 50 HE2 LYS 50 13.518 8.860 -20.904 388 HE3 LYS 50 HE3 LYS 50 15.240 9.280 -20.894 389 HZ1 LYS 50 HZ1 LYS 50 13.981 10.604 -19.312 390 HZ2 LYS 50 HZ2 LYS 50 14.632 11.565 -20.466 391 HZ3 LYS 50 HZ3 LYS 50 13.040 11.213 -20.524 392 H LEU 51 H LEU 51 11.243 5.752 -24.557 393 HA LEU 51 HA LEU 51 12.286 5.078 -27.253 394 HB2 LEU 51 HB2 LEU 51 10.700 3.587 -25.132 395 HB3 LEU 51 HB3 LEU 51 10.955 2.971 -26.769 396 HG LEU 51 HG LEU 51 13.217 3.673 -24.833 397 HD11 LEU 51 HD11 LEU 51 11.972 0.992 -25.568 398 HD12 LEU 51 HD12 LEU 51 13.432 1.217 -24.576 399 HD13 LEU 51 HD13 LEU 51 11.861 1.800 -23.988 400 HD21 LEU 51 HD21 LEU 51 13.890 3.751 -27.202 401 HD22 LEU 51 HD22 LEU 51 14.588 2.347 -26.378 402 HD23 LEU 51 HD23 LEU 51 13.183 2.131 -27.455 403 H GLY 52 H GLY 52 9.586 6.273 -25.387 404 HA2 GLY 52 HA2 GLY 52 7.866 7.579 -26.150 405 HA3 GLY 52 HA3 GLY 52 8.141 7.058 -27.809 406 H GLU 53 H GLU 53 8.077 4.467 -25.564 407 HA GLU 53 HA GLU 53 5.314 3.677 -26.234 408 HB2 GLU 53 HB2 GLU 53 7.195 2.245 -24.320 409 HB3 GLU 53 HB3 GLU 53 5.949 1.540 -25.372 410 HG2 GLU 53 HG2 GLU 53 7.496 2.311 -27.330 411 HG3 GLU 53 HG3 GLU 53 8.723 2.543 -26.089 412 H TYR 54 H TYR 54 5.339 5.986 -25.102 413 HA TYR 54 HA TYR 54 5.047 6.344 -22.423 414 HB2 TYR 54 HB2 TYR 54 3.052 7.151 -24.550 415 HB3 TYR 54 HB3 TYR 54 3.235 7.928 -23.103 416 HD1 TYR 54 HD1 TYR 54 5.947 8.687 -22.725 417 HD2 TYR 54 HD2 TYR 54 3.962 8.109 -26.490 418 HE1 TYR 54 HE1 TYR 54 7.594 10.195 -23.828 419 HE2 TYR 54 HE2 TYR 54 5.640 9.539 -27.610 420 HH TYR 54 HH TYR 54 8.285 11.135 -25.798 421 H THR 55 H THR 55 2.798 4.593 -24.638 422 HA THR 55 HA THR 55 0.539 4.542 -22.970 423 HB THR 55 HB THR 55 1.291 2.114 -24.576 424 HG1 THR 55 HG1 THR 55 0.642 3.219 -26.443 425 HG21 THR 55 HG21 THR 55 -1.127 2.279 -25.118 426 HG22 THR 55 HG22 THR 55 -0.838 2.262 -23.358 427 HG23 THR 55 HG23 THR 55 -1.212 3.796 -24.187 428 H GLN 56 H GLN 56 3.385 2.447 -23.109 429 HA GLN 56 HA GLN 56 2.442 0.618 -21.037 430 HB2 GLN 56 HB2 GLN 56 5.174 1.025 -22.332 431 HB3 GLN 56 HB3 GLN 56 4.667 -0.381 -21.376 432 HG2 GLN 56 HG2 GLN 56 3.593 0.563 -24.078 433 HG3 GLN 56 HG3 GLN 56 4.540 -0.889 -23.779 434 HE21 GLN 56 HE22 GLN 56 1.407 0.640 -23.563 435 HE22 GLN 56 HE21 GLN 56 0.483 -0.801 -23.154 436 H ALA 57 H ALA 57 4.691 3.346 -21.367 437 HA ALA 57 HA ALA 57 5.940 3.290 -18.878 438 HB1 ALA 57 HB1 ALA 57 6.270 5.710 -19.296 439 HB2 ALA 57 HB2 ALA 57 6.470 4.808 -20.828 440 HB3 ALA 57 HB3 ALA 57 4.977 5.694 -20.517 441 H ILE 58 H ILE 58 2.768 4.702 -19.783 442 HA ILE 58 HA ILE 58 2.206 6.019 -17.336 443 HB ILE 58 HB ILE 58 0.409 4.689 -19.389 444 HG12 ILE 58 HG12 ILE 58 0.916 7.667 -19.126 445 HG13 ILE 58 HG13 ILE 58 2.089 6.666 -19.968 446 HG21 ILE 58 HG21 ILE 58 -1.353 6.265 -18.631 447 HG22 ILE 58 HG22 ILE 58 -0.887 5.140 -17.333 448 HG23 ILE 58 HG23 ILE 58 -0.298 6.826 -17.333 449 HD11 ILE 58 HD11 ILE 58 0.253 5.770 -21.430 450 HD12 ILE 58 HD12 ILE 58 -0.880 6.909 -20.665 451 HD13 ILE 58 HD13 ILE 58 0.514 7.511 -21.594 452 H GLN 59 H GLN 59 1.774 2.594 -18.388 453 HA GLN 59 HA GLN 59 0.238 1.801 -16.105 454 HB2 GLN 59 HB2 GLN 59 2.003 0.187 -17.981 455 HB3 GLN 59 HB3 GLN 59 0.737 -0.424 -16.896 456 HG2 GLN 59 HG2 GLN 59 0.468 1.243 -19.403 457 HG3 GLN 59 HG3 GLN 59 -0.241 -0.349 -19.043 458 HE21 GLN 59 HE22 GLN 59 -1.003 2.812 -19.442 459 HE22 GLN 59 HE21 GLN 59 -2.353 2.959 -18.324 460 H MET 60 H MET 60 3.719 1.910 -16.888 461 HA MET 60 HA MET 60 4.622 0.343 -14.628 462 HB2 MET 60 HB2 MET 60 6.043 2.531 -16.179 463 HB3 MET 60 HB3 MET 60 6.801 1.366 -15.078 464 HG2 MET 60 HG2 MET 60 5.545 0.820 -17.777 465 HG3 MET 60 HG3 MET 60 7.240 0.724 -17.334 466 HE1 MET 60 HE1 MET 60 3.691 -0.864 -16.358 467 HE2 MET 60 HE2 MET 60 4.167 -0.987 -18.069 468 HE3 MET 60 HE3 MET 60 4.052 -2.456 -17.062 469 H CYS 61 H CYS 61 4.240 3.905 -15.140 470 HA CYS 61 HA CYS 61 5.544 4.671 -12.750 471 HB2 CYS 61 HB2 CYS 61 3.374 6.047 -14.351 472 HB3 CYS 61 HB3 CYS 61 4.349 6.804 -13.080 473 HG CYS 61 HG CYS 61 5.270 7.516 -15.413 474 H GLN 62 H GLN 62 2.032 4.433 -13.476 475 HA GLN 62 HA GLN 62 1.178 4.781 -10.795 476 HB2 GLN 62 HB2 GLN 62 -0.989 3.935 -11.571 477 HB3 GLN 62 HB3 GLN 62 -0.298 5.191 -12.630 478 HG2 GLN 62 HG2 GLN 62 -0.722 3.791 -14.333 479 HG3 GLN 62 HG3 GLN 62 0.628 2.813 -13.750 480 HE21 GLN 62 HE22 GLN 62 0.179 0.929 -12.467 481 HE22 GLN 62 HE21 GLN 62 -1.422 0.216 -12.428 482 H GLN 63 H GLN 63 2.295 1.773 -12.389 483 HA GLN 63 HA GLN 63 1.438 -0.009 -10.279 484 HB2 GLN 63 HB2 GLN 63 3.095 -0.036 -12.682 485 HB3 GLN 63 HB3 GLN 63 4.021 -0.699 -11.342 486 HG2 GLN 63 HG2 GLN 63 2.864 -2.414 -12.582 487 HG3 GLN 63 HG3 GLN 63 2.276 -2.361 -10.902 488 HE21 GLN 63 HE22 GLN 63 1.498 -1.698 -14.305 489 HE22 GLN 63 HE21 GLN 63 -0.236 -1.544 -14.063 490 H GLY 64 H GLY 64 4.417 1.996 -10.762 491 HA2 GLY 64 HA2 GLY 64 5.860 1.069 -8.573 492 HA3 GLY 64 HA3 GLY 64 5.901 2.735 -9.186 493 H LEU 65 H LEU 65 3.154 3.383 -8.672 494 HA LEU 65 HA LEU 65 3.323 4.409 -6.046 495 HB2 LEU 65 HB2 LEU 65 1.022 4.034 -7.994 496 HB3 LEU 65 HB3 LEU 65 0.811 4.836 -6.440 497 HG LEU 65 HG LEU 65 2.832 5.744 -8.523 498 HD11 LEU 65 HD11 LEU 65 0.397 5.864 -9.229 499 HD12 LEU 65 HD12 LEU 65 0.122 6.940 -7.832 500 HD13 LEU 65 HD13 LEU 65 1.239 7.415 -9.141 501 HD21 LEU 65 HD21 LEU 65 3.494 6.529 -6.374 502 HD22 LEU 65 HD22 LEU 65 2.532 7.878 -7.027 503 HD23 LEU 65 HD23 LEU 65 1.809 6.784 -5.850 504 H ARG 66 H ARG 66 2.592 1.156 -6.915 505 HA ARG 66 HA ARG 66 0.412 0.700 -5.030 506 HB2 ARG 66 HB2 ARG 66 2.252 -1.025 -6.758 507 HB3 ARG 66 HB3 ARG 66 0.878 -1.677 -5.893 508 HG2 ARG 66 HG2 ARG 66 -0.638 -0.129 -7.098 509 HG3 ARG 66 HG3 ARG 66 0.743 0.504 -8.018 510 HD2 ARG 66 HD2 ARG 66 -0.331 -1.176 -9.345 511 HD3 ARG 66 HD3 ARG 66 1.254 -1.785 -8.828 512 HE ARG 66 HE ARG 66 -0.321 -2.802 -6.885 513 HH11 ARG 66 HH11 ARG 66 -0.774 -2.790 -10.398 514 HH12 ARG 66 HH12 ARG 66 -1.675 -4.290 -10.398 515 HH21 ARG 66 HH21 ARG 66 -1.493 -4.749 -6.925 516 HH22 ARG 66 HH22 ARG 66 -2.094 -5.380 -8.437 517 H TYR 67 H TYR 67 3.769 0.892 -5.124 518 HA TYR 67 HA TYR 67 4.172 -0.817 -2.723 519 HB2 TYR 67 HB2 TYR 67 6.150 -0.035 -4.882 520 HB3 TYR 67 HB3 TYR 67 6.281 -1.361 -3.721 521 HD1 TYR 67 HD2 TYR 67 4.270 -3.128 -3.862 522 HD2 TYR 67 HD1 TYR 67 5.398 -0.428 -7.017 523 HE1 TYR 67 HE2 TYR 67 3.252 -4.659 -5.512 524 HE2 TYR 67 HE1 TYR 67 4.233 -1.857 -8.655 525 HH TYR 67 HH TYR 67 3.127 -3.856 -9.014 526 H THR 68 H THR 68 4.239 2.466 -3.731 527 HA THR 68 HA THR 68 6.571 3.284 -2.229 528 HB THR 68 HB THR 68 5.723 5.590 -2.762 529 HG1 THR 68 HG1 THR 68 3.499 5.042 -2.862 530 HG21 THR 68 HG21 THR 68 5.956 5.299 -5.270 531 HG22 THR 68 HG22 THR 68 7.263 4.585 -4.301 532 HG23 THR 68 HG23 THR 68 6.008 3.539 -4.978 533 H SER 69 H SER 69 4.320 1.843 -0.779 534 HA SER 69 HA SER 69 3.013 3.673 0.969 535 HB2 SER 69 HB2 SER 69 3.734 0.731 1.248 536 HB3 SER 69 HB3 SER 69 2.633 1.617 2.320 537 HG SER 69 HG SER 69 1.530 0.516 0.611 538 H THR 70 H THR 70 6.249 3.330 0.764 539 HA THR 70 HA THR 70 6.673 3.854 3.659 540 HB THR 70 HB THR 70 7.156 1.516 3.407 541 HG1 THR 70 HG1 THR 70 9.355 1.573 3.927 542 HG21 THR 70 HG21 THR 70 8.868 2.348 1.030 543 HG22 THR 70 HG22 THR 70 8.895 0.730 1.779 544 HG23 THR 70 HG23 THR 70 7.420 1.321 0.999 545 H ALA 71 H ALA 71 8.766 4.882 4.124 546 HA ALA 71 HA ALA 71 9.092 7.078 2.278 547 HB1 ALA 71 HB1 ALA 71 10.502 8.024 4.034 548 HB2 ALA 71 HB2 ALA 71 8.993 7.384 4.718 549 HB3 ALA 71 HB3 ALA 71 10.514 6.470 4.893 550 H GLU 72 H GLU 72 10.692 4.024 2.380 551 HA GLU 72 HA GLU 72 13.223 5.053 1.339 552 HB2 GLU 72 HB2 GLU 72 13.586 2.672 0.712 553 HB3 GLU 72 HB3 GLU 72 13.202 2.884 2.430 554 HG2 GLU 72 HG2 GLU 72 10.824 2.300 1.919 555 HG3 GLU 72 HG3 GLU 72 11.293 1.980 0.250 556 H HIS 73 H HIS 73 10.061 4.856 0.181 557 HA HIS 73 HA HIS 73 10.932 4.459 -2.640 558 HB2 HIS 73 HB2 HIS 73 8.423 3.667 -1.152 559 HB3 HIS 73 HB3 HIS 73 8.519 3.713 -2.912 560 HD2 HIS 73 HD2 HIS 73 11.834 2.576 -2.200 561 HE1 HIS 73 HE1 HIS 73 9.613 -1.042 -1.951 562 HE2 HIS 73 HE2 HIS 73 11.952 -0.037 -2.165 563 H VAL 74 H VAL 74 9.878 6.787 -0.470 564 HA VAL 74 HA VAL 74 8.021 8.331 -1.929 565 HB VAL 74 HB VAL 74 8.726 8.697 0.413 566 HG11 VAL 74 HG11 VAL 74 11.270 9.906 -0.748 567 HG12 VAL 74 HG12 VAL 74 10.820 9.771 0.965 568 HG13 VAL 74 HG13 VAL 74 11.204 8.309 0.025 569 HG21 VAL 74 HG21 VAL 74 7.703 10.550 -0.920 570 HG22 VAL 74 HG22 VAL 74 8.844 11.147 0.319 571 HG23 VAL 74 HG23 VAL 74 9.348 11.061 -1.390 572 H ALA 75 H ALA 75 11.416 7.766 -2.362 573 HA ALA 75 HA ALA 75 12.263 10.033 -3.848 574 HB1 ALA 75 HB1 ALA 75 13.047 7.093 -4.149 575 HB2 ALA 75 HB2 ALA 75 14.030 8.500 -4.595 576 HB3 ALA 75 HB3 ALA 75 13.685 8.189 -2.870 577 H ILE 76 H ILE 76 10.649 7.045 -4.677 578 HA ILE 76 HA ILE 76 10.992 7.407 -7.579 579 HB ILE 76 HB ILE 76 9.873 5.214 -5.803 580 HG12 ILE 76 HG12 ILE 76 12.430 5.776 -5.713 581 HG13 ILE 76 HG13 ILE 76 11.919 4.208 -5.938 582 HG21 ILE 76 HG21 ILE 76 10.228 5.581 -8.771 583 HG22 ILE 76 HG22 ILE 76 10.227 3.945 -8.045 584 HG23 ILE 76 HG23 ILE 76 8.798 4.995 -7.881 585 HD11 ILE 76 HD11 ILE 76 12.765 6.265 -8.091 586 HD12 ILE 76 HD12 ILE 76 13.768 4.918 -7.503 587 HD13 ILE 76 HD13 ILE 76 12.327 4.594 -8.499 588 H ARG 77 H ARG 77 8.592 7.272 -5.009 589 HA ARG 77 HA ARG 77 6.176 7.364 -6.500 590 HB2 ARG 77 HB2 ARG 77 6.557 7.231 -3.933 591 HB3 ARG 77 HB3 ARG 77 6.707 8.994 -4.002 592 HG2 ARG 77 HG2 ARG 77 4.397 8.798 -5.357 593 HG3 ARG 77 HG3 ARG 77 4.305 7.248 -4.497 594 HD2 ARG 77 HD2 ARG 77 4.814 8.479 -2.364 595 HD3 ARG 77 HD3 ARG 77 4.733 9.992 -3.281 596 HE ARG 77 HE ARG 77 2.383 9.704 -3.583 597 HH11 ARG 77 HH11 ARG 77 3.803 7.164 -1.565 598 HH12 ARG 77 HH12 ARG 77 2.258 6.640 -0.937 599 HH21 ARG 77 HH21 ARG 77 0.394 9.009 -2.738 600 HH22 ARG 77 HH22 ARG 77 0.336 7.682 -1.598 601 H SER 78 H SER 78 8.653 9.706 -5.887 602 HA SER 78 HA SER 78 7.179 12.052 -6.810 603 HB2 SER 78 HB2 SER 78 9.204 11.885 -5.142 604 HB3 SER 78 HB3 SER 78 10.184 11.578 -6.581 605 HG SER 78 HG SER 78 10.126 13.808 -6.004 606 H LYS 79 H LYS 79 9.030 9.486 -8.259 607 HA LYS 79 HA LYS 79 9.582 11.080 -10.695 608 HB2 LYS 79 HB2 LYS 79 10.402 8.283 -9.795 609 HB3 LYS 79 HB3 LYS 79 10.883 9.050 -11.327 610 HG2 LYS 79 HG2 LYS 79 11.994 10.853 -10.136 611 HG3 LYS 79 HG3 LYS 79 11.437 10.231 -8.574 612 HD2 LYS 79 HD2 LYS 79 12.760 8.196 -8.857 613 HD3 LYS 79 HD3 LYS 79 13.214 8.684 -10.511 614 HE2 LYS 79 HE2 LYS 79 14.243 10.733 -9.611 615 HE3 LYS 79 HE3 LYS 79 13.878 10.208 -7.952 616 HZ1 LYS 79 HZ1 LYS 79 15.587 8.767 -9.870 617 HZ2 LYS 79 HZ2 LYS 79 16.123 9.654 -8.588 618 HZ3 LYS 79 HZ3 LYS 79 15.258 8.275 -8.344 619 H LEU 80 H LEU 80 7.656 8.252 -9.586 620 HA LEU 80 HA LEU 80 6.892 7.344 -12.173 621 HB2 LEU 80 HB2 LEU 80 5.414 7.357 -9.494 622 HB3 LEU 80 HB3 LEU 80 4.763 6.605 -10.928 623 HG LEU 80 HG LEU 80 6.015 4.724 -10.663 624 HD11 LEU 80 HD11 LEU 80 8.497 6.251 -10.110 625 HD12 LEU 80 HD12 LEU 80 8.249 4.490 -10.348 626 HD13 LEU 80 HD13 LEU 80 7.894 5.593 -11.676 627 HD21 LEU 80 HD21 LEU 80 5.273 5.170 -8.359 628 HD22 LEU 80 HD22 LEU 80 6.847 4.338 -8.396 629 HD23 LEU 80 HD23 LEU 80 6.763 6.085 -8.054 630 H GLN 81 H GLN 81 5.609 9.897 -10.103 631 HA GLN 81 HA GLN 81 3.270 10.602 -11.469 632 HB2 GLN 81 HB2 GLN 81 5.112 11.386 -9.315 633 HB3 GLN 81 HB3 GLN 81 4.344 12.807 -10.014 634 HG2 GLN 81 HG2 GLN 81 3.247 11.701 -8.029 635 HG3 GLN 81 HG3 GLN 81 2.182 11.997 -9.454 636 HE21 GLN 81 HE22 GLN 81 4.463 9.446 -8.284 637 HE22 GLN 81 HE21 GLN 81 3.386 8.112 -8.617 638 H TYR 82 H TYR 82 6.633 11.364 -12.100 639 HA TYR 82 HA TYR 82 5.996 13.814 -13.537 640 HB2 TYR 82 HB2 TYR 82 8.031 13.990 -12.522 641 HB3 TYR 82 HB3 TYR 82 8.422 12.282 -12.756 642 HD1 TYR 82 HD2 TYR 82 8.446 15.601 -14.410 643 HD2 TYR 82 HD1 TYR 82 9.355 11.433 -14.776 644 HE1 TYR 82 HE2 TYR 82 10.022 16.109 -16.272 645 HE2 TYR 82 HE1 TYR 82 11.080 11.931 -16.500 646 HH TYR 82 HH TYR 82 12.012 13.582 -17.837 647 H ARG 83 H ARG 83 6.798 10.420 -14.424 648 HA ARG 83 HA ARG 83 6.727 11.211 -17.299 649 HB2 ARG 83 HB2 ARG 83 6.845 8.406 -16.240 650 HB3 ARG 83 HB3 ARG 83 7.260 9.023 -17.858 651 HG2 ARG 83 HG2 ARG 83 9.301 8.504 -16.881 652 HG3 ARG 83 HG3 ARG 83 9.188 10.257 -16.600 653 HD2 ARG 83 HD2 ARG 83 8.468 9.852 -14.303 654 HD3 ARG 83 HD3 ARG 83 8.235 8.136 -14.609 655 HE ARG 83 HE ARG 83 10.957 9.344 -14.948 656 HH11 ARG 83 HH11 ARG 83 8.782 7.187 -13.208 657 HH12 ARG 83 HH12 ARG 83 10.085 6.414 -12.323 658 HH21 ARG 83 HH21 ARG 83 12.636 8.321 -13.785 659 HH22 ARG 83 HH22 ARG 83 12.243 7.021 -12.677 660 H LEU 84 H LEU 84 4.798 10.088 -14.727 661 HA LEU 84 HA LEU 84 2.631 9.006 -16.311 662 HB2 LEU 84 HB2 LEU 84 3.226 8.328 -14.025 663 HB3 LEU 84 HB3 LEU 84 2.880 9.909 -13.404 664 HG LEU 84 HG LEU 84 0.473 9.647 -14.021 665 HD11 LEU 84 HD11 LEU 84 -0.327 7.434 -14.799 666 HD12 LEU 84 HD12 LEU 84 0.796 8.144 -15.984 667 HD13 LEU 84 HD13 LEU 84 1.352 6.857 -14.907 668 HD21 LEU 84 HD21 LEU 84 1.627 7.311 -12.458 669 HD22 LEU 84 HD22 LEU 84 1.416 8.956 -11.833 670 HD23 LEU 84 HD23 LEU 84 -0.017 8.000 -12.306 671 H GLU 85 H GLU 85 3.886 12.005 -15.962 672 HA GLU 85 HA GLU 85 1.263 13.272 -16.641 673 HB2 GLU 85 HB2 GLU 85 1.780 15.210 -15.552 674 HB3 GLU 85 HB3 GLU 85 2.361 13.929 -14.430 675 HG2 GLU 85 HG2 GLU 85 4.628 14.313 -15.070 676 HG3 GLU 85 HG3 GLU 85 4.133 15.405 -16.388 677 H LEU 86 H LEU 86 4.161 12.253 -17.879 678 HA LEU 86 HA LEU 86 4.031 14.352 -19.984 679 HB2 LEU 86 HB2 LEU 86 6.303 14.317 -20.203 680 HB3 LEU 86 HB3 LEU 86 6.127 13.988 -18.474 681 HG LEU 86 HG LEU 86 6.230 11.449 -19.294 682 HD11 LEU 86 HD11 LEU 86 7.773 12.986 -21.441 683 HD12 LEU 86 HD12 LEU 86 7.756 11.223 -21.235 684 HD13 LEU 86 HD13 LEU 86 6.284 12.062 -21.731 685 HD21 LEU 86 HD21 LEU 86 8.508 11.375 -18.707 686 HD22 LEU 86 HD22 LEU 86 8.814 13.034 -19.301 687 HD23 LEU 86 HD23 LEU 86 7.884 12.755 -17.815 688 H ALA 87 H ALA 87 4.350 10.795 -19.438 689 HA ALA 87 HA ALA 87 4.549 9.986 -22.083 690 HB1 ALA 87 HB1 ALA 87 5.039 8.604 -20.104 691 HB2 ALA 87 HB2 ALA 87 3.341 8.665 -19.603 692 HB3 ALA 87 HB3 ALA 87 3.796 7.800 -21.084 693 H GLN 88 H GLN 88 1.644 9.920 -19.923 694 HA GLN 88 HA GLN 88 -0.290 9.303 -21.888 695 HB2 GLN 88 HB2 GLN 88 -1.884 10.278 -20.255 696 HB3 GLN 88 HB3 GLN 88 -0.834 8.934 -19.724 697 HG2 GLN 88 HG2 GLN 88 0.622 10.466 -18.536 698 HG3 GLN 88 HG3 GLN 88 -0.220 11.860 -19.253 699 HE21 GLN 88 HE22 GLN 88 -0.662 8.932 -17.181 700 HE22 GLN 88 HE21 GLN 88 -1.893 9.603 -16.144 701 H GLY 89 H GLY 89 1.385 12.270 -21.279 702 HA2 GLY 89 HA2 GLY 89 -0.634 13.886 -22.726 703 HA3 GLY 89 HA3 GLY 89 0.793 14.488 -21.842 704 H ALA 90 H ALA 90 1.484 11.725 -23.706 705 HA ALA 90 HA ALA 90 2.411 13.266 -26.088 706 HB1 ALA 90 HB1 ALA 90 4.009 11.347 -24.389 707 HB2 ALA 90 HB2 ALA 90 4.597 12.171 -25.848 708 HB3 ALA 90 HB3 ALA 90 4.247 13.126 -24.373 709 H VAL 91 H VAL 91 1.204 10.307 -24.622 710 HA VAL 91 HA VAL 91 2.305 8.253 -26.078 711 HB VAL 91 HB VAL 91 -0.571 8.534 -25.749 712 HG11 VAL 91 HG11 VAL 91 1.345 6.173 -25.485 713 HG12 VAL 91 HG12 VAL 91 -0.430 6.059 -25.306 714 HG13 VAL 91 HG13 VAL 91 0.275 6.503 -26.882 715 HG21 VAL 91 HG21 VAL 91 -0.505 7.634 -23.519 716 HG22 VAL 91 HG22 VAL 91 1.281 7.844 -23.506 717 HG23 VAL 91 HG23 VAL 91 0.184 9.261 -23.716 718 H GLY 92 H GLY 92 -0.484 10.159 -27.002 719 HA2 GLY 92 HA2 GLY 92 -0.075 9.651 -29.888 720 HA3 GLY 92 HA3 GLY 92 -1.579 9.055 -29.127 721 H SER 93 H SER 93 -0.150 11.998 -27.888 722 HA SER 93 HA SER 93 -2.463 13.567 -28.369 723 HB2 SER 93 HB2 SER 93 -1.059 15.423 -27.553 724 HB3 SER 93 HB3 SER 93 -0.877 13.971 -26.546 725 HG SER 93 HG SER 93 1.125 14.964 -27.108 726 H VAL 94 H VAL 94 -2.150 15.852 -29.409 727 HA VAL 94 HA VAL 94 -2.363 16.928 -31.371 728 HB VAL 94 HB VAL 94 0.430 15.851 -31.849 729 HG11 VAL 94 HG11 VAL 94 -1.024 18.346 -32.861 730 HG12 VAL 94 HG12 VAL 94 0.685 17.944 -33.161 731 HG13 VAL 94 HG13 VAL 94 -0.597 16.939 -33.851 732 HG21 VAL 94 HG21 VAL 94 -0.599 18.315 -30.379 733 HG22 VAL 94 HG22 VAL 94 0.191 16.909 -29.642 734 HG23 VAL 94 HG23 VAL 94 1.112 17.974 -30.742 735 H GLN 95 H GLN 95 -4.076 15.576 -31.945 736 HA GLN 95 HA GLN 95 -3.504 13.674 -34.156 737 HB2 GLN 95 HB2 GLN 95 -5.296 12.253 -33.234 738 HB3 GLN 95 HB3 GLN 95 -3.984 12.502 -32.068 739 HG2 GLN 95 HG2 GLN 95 -5.453 14.487 -31.183 740 HG3 GLN 95 HG3 GLN 95 -6.770 13.703 -32.066 741 HE21 GLN 95 HE22 GLN 95 -4.628 13.607 -29.302 742 HE22 GLN 95 HE21 GLN 95 -5.356 12.218 -28.515 743 H ILE 96 H ILE 96 -4.583 16.615 -33.645 744 HA ILE 96 HA ILE 96 -6.489 16.488 -35.868 745 HB ILE 96 HB ILE 96 -7.779 16.278 -33.760 746 HG12 ILE 96 HG12 ILE 96 -8.350 18.875 -35.236 747 HG13 ILE 96 HG13 ILE 96 -8.737 17.252 -35.831 748 HG21 ILE 96 HG21 ILE 96 -6.892 19.131 -33.156 749 HG22 ILE 96 HG22 ILE 96 -7.989 18.121 -32.198 750 HG23 ILE 96 HG23 ILE 96 -6.283 17.673 -32.333 751 HD11 ILE 96 HD11 ILE 96 -9.801 18.548 -33.293 752 HD12 ILE 96 HD12 ILE 96 -10.695 18.229 -34.788 753 HD13 ILE 96 HD13 ILE 96 -10.124 16.864 -33.797 754 HA PRO 97 HA PRO 97 -3.582 20.255 -35.572 755 HB2 PRO 97 HB2 PRO 97 -1.433 19.556 -37.078 756 HB3 PRO 97 HB3 PRO 97 -1.565 19.097 -35.350 757 HG2 PRO 97 HG2 PRO 97 -2.274 17.424 -37.781 758 HG3 PRO 97 HG3 PRO 97 -1.233 16.965 -36.387 759 HD2 PRO 97 HD2 PRO 97 -3.883 16.301 -36.531 760 HD3 PRO 97 HD3 PRO 97 -3.089 16.725 -34.973 761 H VAL 98 H VAL 98 -2.679 21.438 -37.695 762 HA VAL 98 HA VAL 98 -4.840 21.569 -39.569 763 HB VAL 98 HB VAL 98 -2.059 22.732 -39.807 764 HG11 VAL 98 HG11 VAL 98 -3.342 22.743 -41.931 765 HG12 VAL 98 HG12 VAL 98 -4.741 23.443 -41.091 766 HG13 VAL 98 HG13 VAL 98 -3.243 24.384 -41.263 767 HG21 VAL 98 HG21 VAL 98 -4.623 23.874 -38.606 768 HG22 VAL 98 HG22 VAL 98 -3.141 23.462 -37.709 769 HG23 VAL 98 HG23 VAL 98 -3.119 24.786 -38.883 770 H VAL 99 H VAL 99 -5.089 19.446 -40.336 771 HA VAL 99 HA VAL 99 -3.312 18.899 -42.664 772 HB VAL 99 HB VAL 99 -4.606 16.838 -40.831 773 HG11 VAL 99 HG11 VAL 99 -3.445 15.198 -42.282 774 HG12 VAL 99 HG12 VAL 99 -4.636 16.134 -43.208 775 HG13 VAL 99 HG13 VAL 99 -2.904 16.516 -43.345 776 HG21 VAL 99 HG21 VAL 99 -2.282 16.160 -40.372 777 HG22 VAL 99 HG22 VAL 99 -1.679 17.482 -41.394 778 HG23 VAL 99 HG23 VAL 99 -2.555 17.848 -39.889 779 H GLU 100 H GLU 100 -4.555 19.900 -44.125 780 HA GLU 100 HA GLU 100 -7.314 18.895 -44.580 781 HB2 GLU 100 HB2 GLU 100 -8.286 21.012 -44.512 782 HB3 GLU 100 HB3 GLU 100 -7.156 21.083 -43.143 783 HG2 GLU 100 HG2 GLU 100 -5.465 22.090 -44.806 784 HG3 GLU 100 HG3 GLU 100 -6.892 22.301 -45.841 785 H VAL 101 H VAL 101 -8.116 20.203 -46.643 786 HA VAL 101 HA VAL 101 -5.914 20.218 -48.665 787 HB VAL 101 HB VAL 101 -8.680 19.014 -48.972 788 HG11 VAL 101 HG11 VAL 101 -7.810 18.262 -51.178 789 HG12 VAL 101 HG12 VAL 101 -7.894 20.028 -51.072 790 HG13 VAL 101 HG13 VAL 101 -6.324 19.193 -50.904 791 HG21 VAL 101 HG21 VAL 101 -7.178 17.608 -47.623 792 HG22 VAL 101 HG22 VAL 101 -7.406 16.889 -49.235 793 HG23 VAL 101 HG23 VAL 101 -5.904 17.758 -48.839 794 H ASP 102 H ASP 102 -6.035 21.824 -50.189 795 HA ASP 102 HA ASP 102 -8.306 23.682 -50.151 796 HB2 ASP 102 HB2 ASP 102 -6.747 24.275 -48.236 797 HB3 ASP 102 HB3 ASP 102 -5.477 24.562 -49.429 798 H GLU 103 H GLU 103 -7.131 21.869 -52.073 799 HA GLU 103 HA GLU 103 -6.557 23.811 -54.223 800 HB2 GLU 103 HB2 GLU 103 -4.449 22.747 -53.079 801 HB3 GLU 103 HB3 GLU 103 -4.943 21.242 -53.862 802 HG2 GLU 103 HG2 GLU 103 -4.797 22.260 -56.071 803 HG3 GLU 103 HG3 GLU 103 -4.400 23.828 -55.336 804 H LEU 104 H LEU 104 -7.990 21.261 -53.020 805 HA LEU 104 HA LEU 104 -9.143 20.139 -55.525 806 HB2 LEU 104 HB2 LEU 104 -7.443 18.805 -53.424 807 HB3 LEU 104 HB3 LEU 104 -8.623 17.843 -54.374 808 HG LEU 104 HG LEU 104 -6.748 19.531 -55.937 809 HD11 LEU 104 HD11 LEU 104 -6.029 16.872 -54.594 810 HD12 LEU 104 HD12 LEU 104 -5.084 17.677 -55.872 811 HD13 LEU 104 HD13 LEU 104 -5.246 18.438 -54.275 812 HD21 LEU 104 HD21 LEU 104 -8.664 18.154 -56.810 813 HD22 LEU 104 HD22 LEU 104 -7.105 17.446 -57.339 814 HD23 LEU 104 HD23 LEU 104 -8.001 16.764 -55.942 815 HA PRO 105 HA PRO 105 -12.873 19.257 -53.234 816 HB2 PRO 105 HB2 PRO 105 -12.169 16.388 -53.919 817 HB3 PRO 105 HB3 PRO 105 -13.765 17.191 -54.042 818 HG2 PRO 105 HG2 PRO 105 -12.341 16.926 -56.277 819 HG3 PRO 105 HG3 PRO 105 -12.985 18.564 -55.885 820 HD2 PRO 105 HD2 PRO 105 -10.223 17.458 -55.274 821 HD3 PRO 105 HD3 PRO 105 -10.592 18.994 -56.096 822 H GLU 106 H GLU 106 -13.705 18.103 -51.332 823 HA GLU 106 HA GLU 106 -11.690 18.017 -49.259 824 HB2 GLU 106 HB2 GLU 106 -13.622 17.694 -47.753 825 HB3 GLU 106 HB3 GLU 106 -13.903 19.024 -48.895 826 HG2 GLU 106 HG2 GLU 106 -15.245 17.511 -50.332 827 HG3 GLU 106 HG3 GLU 106 -14.964 16.176 -49.206 828 H GLY 107 H GLY 107 -11.915 15.781 -51.428 829 HA2 GLY 107 HA2 GLY 107 -11.088 13.609 -49.772 830 HA3 GLY 107 HA3 GLY 107 -12.788 13.385 -50.196 831 H TYR 108 H TYR 108 -10.191 14.838 -52.330 832 HA TYR 108 HA TYR 108 -10.891 13.440 -54.598 833 HB2 TYR 108 HB2 TYR 108 -9.430 15.495 -54.024 834 HB3 TYR 108 HB3 TYR 108 -8.115 14.345 -53.789 835 HD1 TYR 108 HD2 TYR 108 -10.562 15.747 -56.133 836 HD2 TYR 108 HD1 TYR 108 -7.046 13.299 -55.772 837 HE1 TYR 108 HE2 TYR 108 -10.019 16.230 -58.458 838 HE2 TYR 108 HE1 TYR 108 -6.628 13.532 -58.201 839 HH TYR 108 HH TYR 108 -7.254 14.597 -60.146 840 H ASP 109 H ASP 109 -9.440 12.001 -55.830 841 HA ASP 109 HA ASP 109 -7.679 10.246 -54.305 842 HB2 ASP 109 HB2 ASP 109 -9.899 9.176 -54.054 843 HB3 ASP 109 HB3 ASP 109 -10.127 9.211 -55.809 844 H ARG 110 H ARG 110 -6.386 8.857 -55.778 845 HA ARG 110 HA ARG 110 -6.315 9.823 -58.582 846 HB2 ARG 110 HB2 ARG 110 -4.937 11.315 -57.100 847 HB3 ARG 110 HB3 ARG 110 -3.914 9.920 -56.724 848 HG2 ARG 110 HG2 ARG 110 -3.271 9.736 -59.099 849 HG3 ARG 110 HG3 ARG 110 -4.417 11.026 -59.525 850 HD2 ARG 110 HD2 ARG 110 -3.163 12.605 -58.099 851 HD3 ARG 110 HD3 ARG 110 -2.029 11.315 -57.659 852 HE ARG 110 HE ARG 110 -2.087 11.474 -60.484 853 HH11 ARG 110 HH11 ARG 110 -1.053 13.428 -57.715 854 HH12 ARG 110 HH12 ARG 110 0.198 14.245 -58.618 855 HH21 ARG 110 HH21 ARG 110 -0.422 12.540 -61.625 856 HH22 ARG 110 HH22 ARG 110 0.564 13.730 -60.809 857 H SER 111 H SER 111 -6.234 7.258 -56.409 858 HA SER 111 HA SER 111 -5.273 5.417 -58.481 859 HB2 SER 111 HB2 SER 111 -3.200 6.078 -57.291 860 HB3 SER 111 HB3 SER 111 -3.929 5.582 -55.753 861 HG SER 111 HG SER 111 -4.076 3.473 -56.574 862 H1 ALA 701 H1 ALA 701 22.070 19.956 -13.171 863 H2 ALA 701 H2 ALA 701 21.666 20.998 -14.378 864 H3 ALA 701 H3 ALA 701 22.479 19.606 -14.728 865 HA ALA 701 HA ALA 701 20.197 19.408 -15.359 866 HB1 ALA 701 HB1 ALA 701 19.679 17.331 -14.163 867 HB2 ALA 701 HB2 ALA 701 21.397 17.387 -14.609 868 HB3 ALA 701 HB3 ALA 701 20.902 17.719 -12.932 869 H ASP 702 H ASP 702 18.011 18.708 -14.220 870 HA ASP 702 HA ASP 702 17.375 20.394 -11.903 871 HB2 ASP 702 HB2 ASP 702 17.151 21.834 -13.957 872 HB3 ASP 702 HB3 ASP 702 15.944 20.703 -14.579 873 H THR 703 H THR 703 17.532 17.500 -12.627 874 HA THR 703 HA THR 703 14.756 16.689 -11.924 875 HB THR 703 HB THR 703 14.951 14.834 -13.606 876 HG1 THR 703 HG1 THR 703 16.522 15.165 -15.249 877 HG21 THR 703 HG21 THR 703 15.070 17.604 -14.851 878 HG22 THR 703 HG22 THR 703 14.452 16.112 -15.602 879 HG23 THR 703 HG23 THR 703 13.616 16.806 -14.190 880 H GLU 704 H GLU 704 14.612 14.458 -11.357 881 HA GLU 704 HA GLU 704 17.128 12.999 -10.812 882 HB2 GLU 704 HB2 GLU 704 16.228 12.200 -8.651 883 HB3 GLU 704 HB3 GLU 704 16.535 13.945 -8.669 884 HG2 GLU 704 HG2 GLU 704 14.145 14.387 -9.067 885 HG3 GLU 704 HG3 GLU 704 13.810 12.650 -9.097 886 H MET 705 H MET 705 13.678 13.078 -11.585 887 HA MET 705 HA MET 705 13.142 10.333 -11.952 888 HB2 MET 705 HB2 MET 705 11.690 11.346 -13.868 889 HB3 MET 705 HB3 MET 705 11.271 11.627 -12.181 890 HG2 MET 705 HG2 MET 705 13.007 13.564 -13.773 891 HG3 MET 705 HG3 MET 705 11.255 13.648 -13.804 892 HE1 MET 705 HE1 MET 705 10.982 12.683 -10.379 893 HE2 MET 705 HE2 MET 705 10.245 14.286 -10.149 894 HE3 MET 705 HE3 MET 705 9.915 13.332 -11.628 895 H GLU 706 H GLU 706 15.343 12.431 -13.628 896 HA GLU 706 HA GLU 706 15.415 10.555 -15.919 897 HB2 GLU 706 HB2 GLU 706 14.791 12.991 -16.277 898 HB3 GLU 706 HB3 GLU 706 16.461 13.408 -15.893 899 HG2 GLU 706 HG2 GLU 706 17.224 11.916 -17.754 900 HG3 GLU 706 HG3 GLU 706 15.541 11.426 -18.024 901 H GLU 707 H GLU 707 16.624 10.463 -13.151 902 HA GLU 707 HA GLU 707 19.401 9.780 -13.962 903 HB2 GLU 707 HB2 GLU 707 18.446 11.045 -11.354 904 HB3 GLU 707 HB3 GLU 707 20.076 10.409 -11.624 905 HG2 GLU 707 HG2 GLU 707 18.793 12.672 -13.212 906 HG3 GLU 707 HG3 GLU 707 19.944 12.872 -11.891 907 H VAL 708 H VAL 708 16.877 8.369 -13.942 908 HA VAL 708 HA VAL 708 15.859 6.548 -13.413 909 HB VAL 708 HB VAL 708 16.876 4.655 -13.750 910 HG11 VAL 708 HG11 VAL 708 19.053 6.656 -14.484 911 HG12 VAL 708 HG12 VAL 708 18.826 5.072 -15.209 912 HG13 VAL 708 HG13 VAL 708 17.567 6.328 -15.428 913 HG21 VAL 708 HG21 VAL 708 19.292 5.522 -12.158 914 HG22 VAL 708 HG22 VAL 708 18.241 4.078 -11.927 915 HG23 VAL 708 HG23 VAL 708 19.312 4.156 -13.307 916 H ASP 709 H ASP 709 17.950 5.222 -10.910 917 HA ASP 709 HA ASP 709 15.698 4.776 -9.315 918 HB2 ASP 709 HB2 ASP 709 17.236 3.971 -7.617 919 HB3 ASP 709 HB3 ASP 709 17.559 3.306 -9.206 Start of MODEL 9 1 H1 SER 2 H1 SER 2 24.168 -6.990 -2.538 2 H2 SER 2 H2 SER 2 23.072 -5.856 -3.016 3 H3 SER 2 H3 SER 2 24.669 -5.466 -2.885 4 HA SER 2 HA SER 2 24.013 -5.708 -5.170 5 HB2 SER 2 HB2 SER 2 25.935 -7.833 -4.149 6 HB3 SER 2 HB3 SER 2 25.820 -7.271 -5.826 7 HG SER 2 HG SER 2 27.439 -6.205 -4.515 8 H GLN 3 H GLN 3 21.713 -6.398 -4.923 9 HA GLN 3 HA GLN 3 21.409 -9.027 -6.188 10 HB2 GLN 3 HB2 GLN 3 21.303 -9.351 -3.678 11 HB3 GLN 3 HB3 GLN 3 19.861 -8.327 -3.657 12 HG2 GLN 3 HG2 GLN 3 18.683 -9.942 -5.111 13 HG3 GLN 3 HG3 GLN 3 20.169 -10.895 -5.273 14 HE21 GLN 3 HE22 GLN 3 18.821 -12.692 -4.466 15 HE22 GLN 3 HE21 GLN 3 18.576 -12.857 -2.740 16 H PHE 4 H PHE 4 20.831 -5.788 -6.175 17 HA PHE 4 HA PHE 4 18.488 -5.947 -7.933 18 HB2 PHE 4 HB2 PHE 4 17.391 -5.958 -5.730 19 HB3 PHE 4 HB3 PHE 4 18.436 -4.657 -5.163 20 HD1 PHE 4 HD1 PHE 4 18.120 -2.281 -6.032 21 HD2 PHE 4 HD2 PHE 4 15.420 -5.505 -7.006 22 HE1 PHE 4 HE1 PHE 4 16.404 -0.658 -6.677 23 HE2 PHE 4 HE2 PHE 4 13.716 -3.867 -7.680 24 HZ PHE 4 HZ PHE 4 14.246 -1.411 -7.623 25 H GLU 5 H GLU 5 20.765 -4.178 -5.917 26 HA GLU 5 HA GLU 5 20.724 -1.649 -6.979 27 HB2 GLU 5 HB2 GLU 5 23.050 -3.368 -6.029 28 HB3 GLU 5 HB3 GLU 5 23.078 -1.626 -6.183 29 HG2 GLU 5 HG2 GLU 5 22.608 -1.906 -3.908 30 HG3 GLU 5 HG3 GLU 5 21.036 -1.551 -4.643 31 H LYS 6 H LYS 6 22.518 -4.581 -8.279 32 HA LYS 6 HA LYS 6 24.111 -2.817 -9.924 33 HB2 LYS 6 HB2 LYS 6 23.861 -5.740 -9.413 34 HB3 LYS 6 HB3 LYS 6 24.448 -5.292 -11.017 35 HG2 LYS 6 HG2 LYS 6 26.341 -5.558 -9.537 36 HG3 LYS 6 HG3 LYS 6 26.185 -3.857 -10.035 37 HD2 LYS 6 HD2 LYS 6 25.150 -3.290 -7.876 38 HD3 LYS 6 HD3 LYS 6 25.240 -4.996 -7.368 39 HE2 LYS 6 HE2 LYS 6 27.703 -4.933 -7.627 40 HE3 LYS 6 HE3 LYS 6 27.610 -3.246 -8.146 41 HZ1 LYS 6 HZ1 LYS 6 26.805 -4.268 -5.502 42 HZ2 LYS 6 HZ2 LYS 6 28.164 -3.414 -5.831 43 HZ3 LYS 6 HZ3 LYS 6 26.689 -2.701 -5.988 44 H GLN 7 H GLN 7 21.316 -4.978 -10.359 45 HA GLN 7 HA GLN 7 20.873 -4.585 -13.106 46 HB2 GLN 7 HB2 GLN 7 18.991 -4.991 -10.754 47 HB3 GLN 7 HB3 GLN 7 18.561 -5.302 -12.452 48 HG2 GLN 7 HG2 GLN 7 20.960 -6.647 -11.093 49 HG3 GLN 7 HG3 GLN 7 19.330 -7.270 -10.960 50 HE21 GLN 7 HE22 GLN 7 18.860 -8.816 -12.422 51 HE22 GLN 7 HE21 GLN 7 19.507 -8.890 -14.059 52 H LYS 8 H LYS 8 20.745 -2.319 -10.504 53 HA LYS 8 HA LYS 8 18.873 -0.469 -11.910 54 HB2 LYS 8 HB2 LYS 8 18.362 -1.215 -9.639 55 HB3 LYS 8 HB3 LYS 8 19.933 -0.630 -9.075 56 HG2 LYS 8 HG2 LYS 8 19.333 1.678 -9.626 57 HG3 LYS 8 HG3 LYS 8 17.795 1.136 -10.343 58 HD2 LYS 8 HD2 LYS 8 17.542 1.946 -7.983 59 HD3 LYS 8 HD3 LYS 8 17.062 0.254 -8.208 60 HE2 LYS 8 HE2 LYS 8 19.120 -0.510 -7.192 61 HE3 LYS 8 HE3 LYS 8 19.849 1.097 -7.387 62 HZ1 LYS 8 HZ1 LYS 8 18.315 1.924 -5.732 63 HZ2 LYS 8 HZ2 LYS 8 17.629 0.442 -5.545 64 HZ3 LYS 8 HZ3 LYS 8 19.194 0.692 -5.108 65 H GLU 9 H GLU 9 22.201 -1.065 -11.186 66 HA GLU 9 HA GLU 9 22.952 1.796 -11.599 67 HB2 GLU 9 HB2 GLU 9 24.411 -0.531 -10.326 68 HB3 GLU 9 HB3 GLU 9 25.098 1.095 -10.548 69 HG2 GLU 9 HG2 GLU 9 22.392 0.760 -9.257 70 HG3 GLU 9 HG3 GLU 9 23.836 0.448 -8.302 71 H GLN 10 H GLN 10 23.147 -1.440 -12.882 72 HA GLN 10 HA GLN 10 25.235 -0.856 -14.822 73 HB2 GLN 10 HB2 GLN 10 24.402 -3.202 -14.003 74 HB3 GLN 10 HB3 GLN 10 23.051 -2.947 -15.117 75 HG2 GLN 10 HG2 GLN 10 25.108 -2.313 -16.768 76 HG3 GLN 10 HG3 GLN 10 25.955 -3.416 -15.664 77 HE21 GLN 10 HE22 GLN 10 23.175 -3.057 -17.871 78 HE22 GLN 10 HE21 GLN 10 22.985 -4.760 -18.234 79 H GLY 11 H GLY 11 21.646 -1.228 -15.112 80 HA2 GLY 11 HA2 GLY 11 21.500 -0.226 -17.787 81 HA3 GLY 11 HA3 GLY 11 20.173 -0.297 -16.616 82 H ASN 12 H ASN 12 22.078 1.295 -14.758 83 HA ASN 12 HA ASN 12 20.975 3.875 -15.094 84 HB2 ASN 12 HB2 ASN 12 22.075 2.499 -13.148 85 HB3 ASN 12 HB3 ASN 12 23.565 3.324 -13.664 86 HD21 ASN 12 HD22 ASN 12 22.079 3.395 -11.133 87 HD22 ASN 12 HD21 ASN 12 21.740 5.068 -10.822 88 H SER 13 H SER 13 23.494 2.346 -16.873 89 HA SER 13 HA SER 13 24.232 5.045 -17.912 90 HB2 SER 13 HB2 SER 13 26.468 4.260 -18.366 91 HB3 SER 13 HB3 SER 13 26.091 4.025 -16.645 92 HG SER 13 HG SER 13 27.069 2.180 -17.619 93 H LEU 14 H LEU 14 23.309 1.683 -18.657 94 HA LEU 14 HA LEU 14 23.611 1.903 -21.511 95 HB2 LEU 14 HB2 LEU 14 21.792 0.297 -19.666 96 HB3 LEU 14 HB3 LEU 14 21.587 0.217 -21.390 97 HG LEU 14 HG LEU 14 24.113 -0.400 -21.533 98 HD11 LEU 14 HD11 LEU 14 23.283 -1.029 -18.702 99 HD12 LEU 14 HD12 LEU 14 24.788 -1.640 -19.472 100 HD13 LEU 14 HD13 LEU 14 24.572 0.112 -19.178 101 HD21 LEU 14 HD21 LEU 14 23.491 -2.773 -21.186 102 HD22 LEU 14 HD22 LEU 14 22.004 -2.271 -20.349 103 HD23 LEU 14 HD23 LEU 14 22.220 -1.917 -22.078 104 H PHE 15 H PHE 15 21.198 3.090 -19.199 105 HA PHE 15 HA PHE 15 19.204 3.846 -21.130 106 HB2 PHE 15 HB2 PHE 15 18.522 3.590 -18.887 107 HB3 PHE 15 HB3 PHE 15 19.914 4.477 -18.262 108 HD1 PHE 15 HD1 PHE 15 16.805 5.056 -20.288 109 HD2 PHE 15 HD2 PHE 15 19.714 6.650 -17.552 110 HE1 PHE 15 HE1 PHE 15 15.467 7.137 -20.059 111 HE2 PHE 15 HE2 PHE 15 18.328 8.651 -17.226 112 HZ PHE 15 HZ PHE 15 16.232 8.945 -18.529 113 H LYS 16 H LYS 16 22.113 5.408 -19.747 114 HA LYS 16 HA LYS 16 21.320 7.982 -20.787 115 HB2 LYS 16 HB2 LYS 16 23.968 7.185 -19.540 116 HB3 LYS 16 HB3 LYS 16 23.225 8.808 -19.628 117 HG2 LYS 16 HG2 LYS 16 21.273 7.841 -18.305 118 HG3 LYS 16 HG3 LYS 16 22.240 6.370 -18.092 119 HD2 LYS 16 HD2 LYS 16 22.571 7.611 -16.166 120 HD3 LYS 16 HD3 LYS 16 24.071 7.845 -17.103 121 HE2 LYS 16 HE2 LYS 16 23.174 10.025 -17.923 122 HE3 LYS 16 HE3 LYS 16 21.674 9.739 -17.018 123 HZ1 LYS 16 HZ1 LYS 16 24.336 10.016 -15.795 124 HZ2 LYS 16 HZ2 LYS 16 23.178 11.187 -15.845 125 HZ3 LYS 16 HZ3 LYS 16 22.900 9.822 -14.998 126 H GLN 17 H GLN 17 22.743 5.272 -22.259 127 HA GLN 17 HA GLN 17 24.704 6.725 -23.898 128 HB2 GLN 17 HB2 GLN 17 23.891 3.832 -23.451 129 HB3 GLN 17 HB3 GLN 17 24.871 4.290 -24.843 130 HG2 GLN 17 HG2 GLN 17 26.468 5.455 -23.332 131 HG3 GLN 17 HG3 GLN 17 25.596 4.832 -21.939 132 HE21 GLN 17 HE22 GLN 17 25.315 2.431 -21.804 133 HE22 GLN 17 HE21 GLN 17 26.590 1.399 -22.434 134 H GLY 18 H GLY 18 21.391 5.548 -24.091 135 HA2 GLY 18 HA2 GLY 18 20.324 6.683 -26.187 136 HA3 GLY 18 HA3 GLY 18 21.529 5.621 -27.045 137 H LEU 19 H LEU 19 21.120 3.664 -24.783 138 HA LEU 19 HA LEU 19 19.147 2.218 -26.439 139 HB2 LEU 19 HB2 LEU 19 20.518 0.215 -25.628 140 HB3 LEU 19 HB3 LEU 19 20.995 1.197 -26.978 141 HG LEU 19 HG LEU 19 22.414 2.443 -24.917 142 HD11 LEU 19 HD11 LEU 19 22.365 -0.548 -24.327 143 HD12 LEU 19 HD12 LEU 19 23.315 0.699 -23.479 144 HD13 LEU 19 HD13 LEU 19 21.542 0.685 -23.341 145 HD21 LEU 19 HD21 LEU 19 23.372 1.680 -27.047 146 HD22 LEU 19 HD22 LEU 19 24.359 1.160 -25.663 147 HD23 LEU 19 HD23 LEU 19 23.291 -0.006 -26.484 148 H TYR 20 H TYR 20 17.901 3.523 -24.963 149 HA TYR 20 HA TYR 20 17.337 3.175 -22.318 150 HB2 TYR 20 HB2 TYR 20 15.336 3.240 -24.584 151 HB3 TYR 20 HB3 TYR 20 15.085 3.927 -22.991 152 HD1 TYR 20 HD1 TYR 20 17.415 5.448 -22.367 153 HD2 TYR 20 HD2 TYR 20 15.543 4.916 -26.201 154 HE1 TYR 20 HE1 TYR 20 18.405 7.596 -23.148 155 HE2 TYR 20 HE2 TYR 20 16.545 7.039 -26.997 156 HH TYR 20 HH TYR 20 18.623 9.065 -24.893 157 H ARG 21 H ARG 21 16.433 0.971 -25.034 158 HA ARG 21 HA ARG 21 14.663 -0.634 -23.384 159 HB2 ARG 21 HB2 ARG 21 15.014 -0.261 -26.067 160 HB3 ARG 21 HB3 ARG 21 16.012 -1.706 -25.845 161 HG2 ARG 21 HG2 ARG 21 13.069 -1.315 -25.338 162 HG3 ARG 21 HG3 ARG 21 13.881 -2.461 -26.441 163 HD2 ARG 21 HD2 ARG 21 14.736 -3.708 -24.437 164 HD3 ARG 21 HD3 ARG 21 13.835 -2.573 -23.399 165 HE ARG 21 HE ARG 21 11.954 -3.580 -25.181 166 HH11 ARG 21 HH11 ARG 21 14.160 -4.944 -22.778 167 HH12 ARG 21 HH12 ARG 21 13.104 -6.286 -22.402 168 HH21 ARG 21 HH21 ARG 21 10.599 -5.344 -24.677 169 HH22 ARG 21 HH22 ARG 21 11.100 -6.513 -23.480 170 H GLU 22 H GLU 22 18.051 -0.933 -24.564 171 HA GLU 22 HA GLU 22 18.503 -3.501 -23.392 172 HB2 GLU 22 HB2 GLU 22 20.451 -1.230 -23.896 173 HB3 GLU 22 HB3 GLU 22 20.881 -2.933 -23.602 174 HG2 GLU 22 HG2 GLU 22 19.547 -3.561 -25.623 175 HG3 GLU 22 HG3 GLU 22 19.277 -1.842 -25.957 176 H ALA 23 H ALA 23 18.353 -0.241 -22.098 177 HA ALA 23 HA ALA 23 19.622 -0.845 -19.570 178 HB1 ALA 23 HB1 ALA 23 18.902 1.377 -18.981 179 HB2 ALA 23 HB2 ALA 23 19.381 1.424 -20.700 180 HB3 ALA 23 HB3 ALA 23 17.676 1.405 -20.267 181 H VAL 24 H VAL 24 16.207 -0.865 -20.814 182 HA VAL 24 HA VAL 24 15.078 -1.202 -18.246 183 HB VAL 24 HB VAL 24 13.127 -1.305 -19.226 184 HG11 VAL 24 HG11 VAL 24 14.253 -0.102 -21.702 185 HG12 VAL 24 HG12 VAL 24 12.804 0.311 -20.787 186 HG13 VAL 24 HG13 VAL 24 14.414 0.693 -20.109 187 HG21 VAL 24 HG21 VAL 24 12.427 -2.107 -21.362 188 HG22 VAL 24 HG22 VAL 24 14.048 -2.886 -21.530 189 HG23 VAL 24 HG23 VAL 24 12.973 -3.269 -20.149 190 H HIS 25 H HIS 25 16.428 -3.067 -20.682 191 HA HIS 25 HA HIS 25 15.357 -5.603 -20.263 192 HB2 HIS 25 HB2 HIS 25 17.038 -4.399 -22.007 193 HB3 HIS 25 HB3 HIS 25 18.202 -5.380 -21.167 194 HD2 HIS 25 HD2 HIS 25 16.554 -5.394 -24.181 195 HE1 HIS 25 HE1 HIS 25 15.593 -9.372 -23.028 196 HE2 HIS 25 HE2 HIS 25 15.684 -7.751 -24.984 197 H CYS 26 H CYS 26 17.274 -3.823 -18.147 198 HA CYS 26 HA CYS 26 18.014 -6.267 -16.590 199 HB2 CYS 26 HB2 CYS 26 19.503 -3.609 -16.771 200 HB3 CYS 26 HB3 CYS 26 19.906 -4.952 -15.676 201 HG CYS 26 HG CYS 26 20.213 -6.745 -17.550 202 H TYR 27 H TYR 27 16.725 -2.991 -16.729 203 HA TYR 27 HA TYR 27 15.965 -2.533 -14.024 204 HB2 TYR 27 HB2 TYR 27 14.664 -2.005 -16.705 205 HB3 TYR 27 HB3 TYR 27 14.077 -1.251 -15.297 206 HD1 TYR 27 HD1 TYR 27 17.483 -1.166 -14.617 207 HD2 TYR 27 HD2 TYR 27 14.558 0.534 -17.281 208 HE1 TYR 27 HE1 TYR 27 18.928 0.816 -14.949 209 HE2 TYR 27 HE2 TYR 27 15.967 2.514 -17.592 210 HH TYR 27 HH TYR 27 19.165 2.855 -16.002 211 H ASP 28 H ASP 28 14.589 -4.607 -16.594 212 HA ASP 28 HA ASP 28 12.046 -4.982 -15.400 213 HB2 ASP 28 HB2 ASP 28 12.650 -5.432 -17.769 214 HB3 ASP 28 HB3 ASP 28 13.609 -6.831 -17.232 215 H GLN 29 H GLN 29 15.226 -6.531 -14.828 216 HA GLN 29 HA GLN 29 14.062 -8.657 -13.279 217 HB2 GLN 29 HB2 GLN 29 16.914 -7.613 -13.491 218 HB3 GLN 29 HB3 GLN 29 16.418 -9.005 -12.509 219 HG2 GLN 29 HG2 GLN 29 16.868 -10.190 -14.361 220 HG3 GLN 29 HG3 GLN 29 15.241 -9.722 -14.831 221 HE21 GLN 29 HE22 GLN 29 14.962 -8.417 -16.665 222 HE22 GLN 29 HE21 GLN 29 16.299 -7.777 -17.601 223 H LEU 30 H LEU 30 14.648 -5.283 -12.615 224 HA LEU 30 HA LEU 30 14.943 -5.478 -9.748 225 HB2 LEU 30 HB2 LEU 30 13.529 -3.386 -11.437 226 HB3 LEU 30 HB3 LEU 30 14.029 -3.163 -9.760 227 HG LEU 30 HG LEU 30 15.717 -3.375 -12.211 228 HD11 LEU 30 HD11 LEU 30 15.570 -1.339 -9.958 229 HD12 LEU 30 HD12 LEU 30 16.617 -1.241 -11.395 230 HD13 LEU 30 HD13 LEU 30 14.839 -1.173 -11.578 231 HD21 LEU 30 HD21 LEU 30 16.830 -4.786 -10.517 232 HD22 LEU 30 HD22 LEU 30 17.718 -3.259 -10.686 233 HD23 LEU 30 HD23 LEU 30 16.634 -3.495 -9.295 234 H ILE 31 H ILE 31 12.201 -5.483 -12.040 235 HA ILE 31 HA ILE 31 10.237 -5.488 -9.885 236 HB ILE 31 HB ILE 31 9.809 -6.173 -12.827 237 HG12 ILE 31 HG12 ILE 31 8.841 -3.581 -12.339 238 HG13 ILE 31 HG13 ILE 31 10.389 -3.589 -11.485 239 HG21 ILE 31 HG21 ILE 31 8.128 -5.094 -10.564 240 HG22 ILE 31 HG22 ILE 31 7.544 -5.408 -12.228 241 HG23 ILE 31 HG23 ILE 31 8.065 -6.777 -11.207 242 HD11 ILE 31 HD11 ILE 31 10.027 -4.491 -14.376 243 HD12 ILE 31 HD12 ILE 31 10.474 -2.845 -13.901 244 HD13 ILE 31 HD13 ILE 31 11.557 -4.209 -13.498 245 H THR 32 H THR 32 11.848 -7.946 -11.962 246 HA THR 32 HA THR 32 10.068 -10.012 -10.938 247 HB THR 32 HB THR 32 12.776 -9.997 -12.347 248 HG1 THR 32 HG1 THR 32 11.008 -9.334 -13.584 249 HG21 THR 32 HG21 THR 32 11.047 -12.429 -11.784 250 HG22 THR 32 HG22 THR 32 12.455 -12.379 -12.882 251 HG23 THR 32 HG23 THR 32 12.686 -12.096 -11.151 252 H ALA 33 H ALA 33 13.085 -8.556 -9.795 253 HA ALA 33 HA ALA 33 13.450 -10.714 -7.846 254 HB1 ALA 33 HB1 ALA 33 14.861 -8.018 -8.171 255 HB2 ALA 33 HB2 ALA 33 15.375 -9.338 -7.109 256 HB3 ALA 33 HB3 ALA 33 15.414 -9.558 -8.876 257 H GLN 34 H GLN 34 12.031 -7.499 -8.106 258 HA GLN 34 HA GLN 34 10.891 -7.777 -5.430 259 HB2 GLN 34 HB2 GLN 34 13.149 -6.327 -5.887 260 HB3 GLN 34 HB3 GLN 34 11.998 -5.101 -6.300 261 HG2 GLN 34 HG2 GLN 34 10.989 -5.288 -4.013 262 HG3 GLN 34 HG3 GLN 34 12.068 -6.661 -3.673 263 HE21 GLN 34 HE22 GLN 34 14.437 -5.978 -4.742 264 HE22 GLN 34 HE21 GLN 34 15.044 -4.410 -4.305 265 HA PRO 35 HA PRO 35 8.106 -6.624 -8.909 266 HB2 PRO 35 HB2 PRO 35 6.146 -8.512 -8.117 267 HB3 PRO 35 HB3 PRO 35 7.404 -8.663 -9.366 268 HG2 PRO 35 HG2 PRO 35 7.330 -10.044 -6.786 269 HG3 PRO 35 HG3 PRO 35 8.461 -10.245 -8.162 270 HD2 PRO 35 HD2 PRO 35 9.001 -8.897 -5.708 271 HD3 PRO 35 HD3 PRO 35 10.051 -9.268 -7.106 272 H GLN 36 H GLN 36 7.978 -6.707 -5.644 273 HA GLN 36 HA GLN 36 5.875 -4.609 -5.635 274 HB2 GLN 36 HB2 GLN 36 6.895 -6.072 -3.164 275 HB3 GLN 36 HB3 GLN 36 5.520 -4.966 -3.273 276 HG2 GLN 36 HG2 GLN 36 4.249 -6.805 -3.528 277 HG3 GLN 36 HG3 GLN 36 4.912 -6.907 -5.176 278 HE21 GLN 36 HE22 GLN 36 6.919 -8.160 -5.443 279 HE22 GLN 36 HE21 GLN 36 7.345 -9.455 -4.333 280 H ASN 37 H ASN 37 8.085 -3.687 -6.668 281 HA ASN 37 HA ASN 37 8.967 -1.780 -4.589 282 HB2 ASN 37 HB2 ASN 37 11.131 -2.444 -4.604 283 HB3 ASN 37 HB3 ASN 37 10.571 -3.861 -5.475 284 HD21 ASN 37 HD22 ASN 37 10.715 -3.940 -7.723 285 HD22 ASN 37 HD21 ASN 37 11.876 -2.945 -8.604 286 HA PRO 38 HA PRO 38 7.872 0.989 -7.921 287 HB2 PRO 38 HB2 PRO 38 9.567 2.904 -6.409 288 HB3 PRO 38 HB3 PRO 38 7.823 3.037 -6.844 289 HG2 PRO 38 HG2 PRO 38 8.743 2.605 -4.306 290 HG3 PRO 38 HG3 PRO 38 7.260 1.768 -4.913 291 HD2 PRO 38 HD2 PRO 38 10.100 0.703 -4.757 292 HD3 PRO 38 HD3 PRO 38 8.549 -0.062 -4.273 293 H VAL 39 H VAL 39 11.367 1.461 -6.787 294 HA VAL 39 HA VAL 39 12.006 2.714 -9.162 295 HB VAL 39 HB VAL 39 13.604 3.040 -7.879 296 HG11 VAL 39 HG11 VAL 39 13.992 0.293 -6.885 297 HG12 VAL 39 HG12 VAL 39 15.054 1.746 -6.672 298 HG13 VAL 39 HG13 VAL 39 13.365 1.766 -6.068 299 HG21 VAL 39 HG21 VAL 39 15.679 2.223 -8.774 300 HG22 VAL 39 HG22 VAL 39 14.880 0.767 -9.419 301 HG23 VAL 39 HG23 VAL 39 14.477 2.384 -10.072 302 H GLY 40 H GLY 40 11.471 -0.558 -8.651 303 HA2 GLY 40 HA2 GLY 40 12.515 -1.877 -11.010 304 HA3 GLY 40 HA3 GLY 40 11.019 -2.294 -10.263 305 H TYR 41 H TYR 41 9.577 0.083 -10.572 306 HA TYR 41 HA TYR 41 8.986 0.171 -13.450 307 HB2 TYR 41 HB2 TYR 41 7.700 1.261 -10.947 308 HB3 TYR 41 HB3 TYR 41 6.954 1.347 -12.503 309 HD1 TYR 41 HD1 TYR 41 6.263 -0.828 -13.664 310 HD2 TYR 41 HD2 TYR 41 7.560 -0.677 -9.577 311 HE1 TYR 41 HE1 TYR 41 5.245 -3.062 -13.274 312 HE2 TYR 41 HE2 TYR 41 6.561 -2.924 -9.172 313 HH TYR 41 HH TYR 41 4.832 -4.726 -11.745 314 H SER 42 H SER 42 11.049 1.965 -11.450 315 HA SER 42 HA SER 42 10.050 4.626 -12.273 316 HB2 SER 42 HB2 SER 42 11.732 5.503 -10.757 317 HB3 SER 42 HB3 SER 42 11.026 4.073 -9.979 318 HG SER 42 HG SER 42 13.466 4.512 -10.282 319 H ASN 43 H ASN 43 12.534 2.310 -13.153 320 HA ASN 43 HA ASN 43 13.878 4.336 -14.880 321 HB2 ASN 43 HB2 ASN 43 15.744 2.770 -14.858 322 HB3 ASN 43 HB3 ASN 43 15.326 3.491 -13.294 323 HD21 ASN 43 HD22 ASN 43 16.721 1.714 -12.493 324 HD22 ASN 43 HD21 ASN 43 15.943 0.174 -12.164 325 H LYS 44 H LYS 44 12.527 0.981 -14.857 326 HA LYS 44 HA LYS 44 12.545 0.431 -17.668 327 HB2 LYS 44 HB2 LYS 44 11.964 -1.161 -15.920 328 HB3 LYS 44 HB3 LYS 44 10.510 -0.223 -15.522 329 HG2 LYS 44 HG2 LYS 44 9.601 -0.627 -17.762 330 HG3 LYS 44 HG3 LYS 44 11.095 -1.466 -18.248 331 HD2 LYS 44 HD2 LYS 44 10.692 -3.202 -16.549 332 HD3 LYS 44 HD3 LYS 44 9.228 -2.349 -16.005 333 HE2 LYS 44 HE2 LYS 44 8.241 -2.613 -18.262 334 HE3 LYS 44 HE3 LYS 44 9.692 -3.473 -18.800 335 HZ1 LYS 44 HZ1 LYS 44 9.229 -5.163 -17.168 336 HZ2 LYS 44 HZ2 LYS 44 7.900 -4.361 -16.634 337 HZ3 LYS 44 HZ3 LYS 44 7.934 -4.979 -18.155 338 H ALA 45 H ALA 45 10.672 2.698 -15.644 339 HA ALA 45 HA ALA 45 8.762 3.245 -17.812 340 HB1 ALA 45 HB1 ALA 45 8.036 3.463 -15.495 341 HB2 ALA 45 HB2 ALA 45 9.283 4.697 -15.186 342 HB3 ALA 45 HB3 ALA 45 7.952 5.033 -16.319 343 H MET 46 H MET 46 11.389 5.161 -16.183 344 HA MET 46 HA MET 46 11.241 7.400 -17.813 345 HB2 MET 46 HB2 MET 46 12.641 7.193 -15.795 346 HB3 MET 46 HB3 MET 46 13.712 6.070 -16.645 347 HG2 MET 46 HG2 MET 46 14.839 8.081 -16.746 348 HG3 MET 46 HG3 MET 46 14.128 7.917 -18.347 349 HE1 MET 46 HE1 MET 46 12.196 9.389 -19.262 350 HE2 MET 46 HE2 MET 46 11.010 9.263 -17.921 351 HE3 MET 46 HE3 MET 46 11.563 10.847 -18.469 352 H ALA 47 H ALA 47 12.804 4.264 -18.506 353 HA ALA 47 HA ALA 47 14.116 5.141 -20.911 354 HB1 ALA 47 HB1 ALA 47 14.253 2.686 -21.328 355 HB2 ALA 47 HB2 ALA 47 14.783 3.131 -19.693 356 HB3 ALA 47 HB3 ALA 47 13.166 2.428 -19.940 357 H LEU 48 H LEU 48 10.873 3.693 -20.229 358 HA LEU 48 HA LEU 48 10.118 3.395 -22.956 359 HB2 LEU 48 HB2 LEU 48 8.539 3.748 -20.386 360 HB3 LEU 48 HB3 LEU 48 7.766 3.522 -21.963 361 HG LEU 48 HG LEU 48 9.800 1.562 -20.824 362 HD11 LEU 48 HD11 LEU 48 7.786 0.177 -20.307 363 HD12 LEU 48 HD12 LEU 48 7.776 1.699 -19.385 364 HD13 LEU 48 HD13 LEU 48 6.753 1.527 -20.830 365 HD21 LEU 48 HD21 LEU 48 7.720 1.279 -23.025 366 HD22 LEU 48 HD22 LEU 48 9.468 1.520 -23.303 367 HD23 LEU 48 HD23 LEU 48 8.889 0.049 -22.503 368 H ILE 49 H ILE 49 10.231 6.296 -20.874 369 HA ILE 49 HA ILE 49 8.603 7.889 -22.705 370 HB ILE 49 HB ILE 49 10.613 8.454 -20.473 371 HG12 ILE 49 HG12 ILE 49 8.618 9.843 -19.632 372 HG13 ILE 49 HG13 ILE 49 7.646 8.997 -20.838 373 HG21 ILE 49 HG21 ILE 49 9.325 10.525 -22.280 374 HG22 ILE 49 HG22 ILE 49 10.258 10.866 -20.811 375 HG23 ILE 49 HG23 ILE 49 11.075 10.121 -22.195 376 HD11 ILE 49 HD11 ILE 49 9.270 7.703 -18.596 377 HD12 ILE 49 HD12 ILE 49 7.518 7.905 -18.616 378 HD13 ILE 49 HD13 ILE 49 8.285 6.829 -19.805 379 H LYS 50 H LYS 50 12.148 7.427 -22.218 380 HA LYS 50 HA LYS 50 12.875 9.030 -24.447 381 HB2 LYS 50 HB2 LYS 50 14.104 7.381 -22.399 382 HB3 LYS 50 HB3 LYS 50 14.829 7.077 -23.991 383 HG2 LYS 50 HG2 LYS 50 16.005 8.930 -22.944 384 HG3 LYS 50 HG3 LYS 50 15.080 9.526 -24.340 385 HD2 LYS 50 HD2 LYS 50 14.764 11.094 -22.573 386 HD3 LYS 50 HD3 LYS 50 13.245 10.207 -22.683 387 HE2 LYS 50 HE2 LYS 50 13.739 8.933 -20.728 388 HE3 LYS 50 HE3 LYS 50 15.467 9.306 -20.835 389 HZ1 LYS 50 HZ1 LYS 50 14.975 11.580 -20.275 390 HZ2 LYS 50 HZ2 LYS 50 13.363 11.279 -20.209 391 HZ3 LYS 50 HZ3 LYS 50 14.381 10.595 -19.108 392 H LEU 51 H LEU 51 11.398 5.897 -24.342 393 HA LEU 51 HA LEU 51 12.303 5.182 -27.070 394 HB2 LEU 51 HB2 LEU 51 10.672 3.807 -24.907 395 HB3 LEU 51 HB3 LEU 51 10.870 3.156 -26.532 396 HG LEU 51 HG LEU 51 13.228 3.790 -24.703 397 HD11 LEU 51 HD11 LEU 51 11.815 1.138 -25.209 398 HD12 LEU 51 HD12 LEU 51 13.321 1.365 -24.286 399 HD13 LEU 51 HD13 LEU 51 11.800 2.057 -23.686 400 HD21 LEU 51 HD21 LEU 51 13.801 3.679 -27.093 401 HD22 LEU 51 HD22 LEU 51 14.437 2.268 -26.226 402 HD23 LEU 51 HD23 LEU 51 12.978 2.101 -27.223 403 H GLY 52 H GLY 52 9.938 6.885 -25.304 404 HA2 GLY 52 HA2 GLY 52 8.023 7.927 -25.808 405 HA3 GLY 52 HA3 GLY 52 8.322 7.599 -27.520 406 H GLU 53 H GLU 53 8.348 4.927 -25.343 407 HA GLU 53 HA GLU 53 5.724 3.932 -26.224 408 HB2 GLU 53 HB2 GLU 53 8.096 2.743 -24.682 409 HB3 GLU 53 HB3 GLU 53 6.622 1.811 -25.042 410 HG2 GLU 53 HG2 GLU 53 8.261 3.140 -27.233 411 HG3 GLU 53 HG3 GLU 53 8.673 1.552 -26.592 412 H TYR 54 H TYR 54 5.424 6.058 -25.053 413 HA TYR 54 HA TYR 54 5.215 6.349 -22.335 414 HB2 TYR 54 HB2 TYR 54 3.295 7.118 -24.537 415 HB3 TYR 54 HB3 TYR 54 3.278 7.838 -23.042 416 HD1 TYR 54 HD2 TYR 54 6.158 8.479 -22.484 417 HD2 TYR 54 HD1 TYR 54 4.081 8.461 -26.249 418 HE1 TYR 54 HE2 TYR 54 7.808 10.090 -23.417 419 HE2 TYR 54 HE1 TYR 54 5.761 10.005 -27.202 420 HH TYR 54 HH TYR 54 7.630 11.262 -26.794 421 H THR 55 H THR 55 3.084 4.375 -24.491 422 HA THR 55 HA THR 55 0.745 4.463 -22.911 423 HB THR 55 HB THR 55 1.622 1.862 -24.174 424 HG1 THR 55 HG1 THR 55 0.946 2.736 -26.173 425 HG21 THR 55 HG21 THR 55 -0.951 3.406 -23.987 426 HG22 THR 55 HG22 THR 55 -0.723 1.798 -24.767 427 HG23 THR 55 HG23 THR 55 -0.456 1.987 -23.013 428 H GLN 56 H GLN 56 3.756 2.795 -22.578 429 HA GLN 56 HA GLN 56 2.778 0.839 -20.629 430 HB2 GLN 56 HB2 GLN 56 5.364 1.212 -22.213 431 HB3 GLN 56 HB3 GLN 56 4.892 -0.239 -21.276 432 HG2 GLN 56 HG2 GLN 56 3.558 -0.913 -23.071 433 HG3 GLN 56 HG3 GLN 56 2.663 0.524 -22.941 434 HE21 GLN 56 HE22 GLN 56 3.249 2.371 -24.115 435 HE22 GLN 56 HE21 GLN 56 4.050 2.194 -25.672 436 H ALA 57 H ALA 57 5.009 3.501 -21.147 437 HA ALA 57 HA ALA 57 6.284 3.671 -18.642 438 HB1 ALA 57 HB1 ALA 57 5.177 5.886 -20.442 439 HB2 ALA 57 HB2 ALA 57 6.384 6.117 -19.162 440 HB3 ALA 57 HB3 ALA 57 6.769 5.129 -20.608 441 H ILE 58 H ILE 58 3.060 4.867 -19.671 442 HA ILE 58 HA ILE 58 2.318 6.102 -17.211 443 HB ILE 58 HB ILE 58 0.643 4.722 -19.342 444 HG12 ILE 58 HG12 ILE 58 1.043 7.712 -19.131 445 HG13 ILE 58 HG13 ILE 58 2.286 6.749 -19.909 446 HG21 ILE 58 HG21 ILE 58 -0.664 5.195 -17.273 447 HG22 ILE 58 HG22 ILE 58 -0.169 6.910 -17.386 448 HG23 ILE 58 HG23 ILE 58 -1.185 6.201 -18.645 449 HD11 ILE 58 HD11 ILE 58 -0.661 6.866 -20.713 450 HD12 ILE 58 HD12 ILE 58 0.767 7.427 -21.626 451 HD13 ILE 58 HD13 ILE 58 0.501 5.694 -21.363 452 H GLN 59 H GLN 59 2.095 2.700 -18.456 453 HA GLN 59 HA GLN 59 0.478 1.776 -16.287 454 HB2 GLN 59 HB2 GLN 59 2.396 0.218 -18.068 455 HB3 GLN 59 HB3 GLN 59 1.045 -0.410 -17.111 456 HG2 GLN 59 HG2 GLN 59 -0.006 1.708 -18.705 457 HG3 GLN 59 HG3 GLN 59 1.097 0.825 -19.742 458 HE21 GLN 59 HE22 GLN 59 -0.324 -0.154 -21.115 459 HE22 GLN 59 HE21 GLN 59 -1.489 -1.360 -20.603 460 H MET 60 H MET 60 3.948 1.987 -16.875 461 HA MET 60 HA MET 60 4.858 0.411 -14.629 462 HB2 MET 60 HB2 MET 60 6.169 2.787 -15.984 463 HB3 MET 60 HB3 MET 60 6.939 1.700 -14.819 464 HG2 MET 60 HG2 MET 60 6.107 1.082 -17.655 465 HG3 MET 60 HG3 MET 60 7.708 1.076 -16.945 466 HE1 MET 60 HE1 MET 60 4.129 -0.756 -16.425 467 HE2 MET 60 HE2 MET 60 4.793 -0.751 -18.080 468 HE3 MET 60 HE3 MET 60 4.677 -2.276 -17.168 469 H CYS 61 H CYS 61 4.222 3.941 -14.975 470 HA CYS 61 HA CYS 61 5.333 4.574 -12.437 471 HB2 CYS 61 HB2 CYS 61 3.355 6.037 -14.218 472 HB3 CYS 61 HB3 CYS 61 4.158 6.727 -12.784 473 HG CYS 61 HG CYS 61 5.532 5.397 -15.477 474 H GLN 62 H GLN 62 1.847 4.443 -13.432 475 HA GLN 62 HA GLN 62 0.794 4.723 -10.857 476 HB2 GLN 62 HB2 GLN 62 -1.241 3.700 -11.767 477 HB3 GLN 62 HB3 GLN 62 -0.542 4.937 -12.830 478 HG2 GLN 62 HG2 GLN 62 -0.738 3.443 -14.479 479 HG3 GLN 62 HG3 GLN 62 0.667 2.638 -13.770 480 HE21 GLN 62 HE22 GLN 62 -0.705 1.657 -11.349 481 HE22 GLN 62 HE21 GLN 62 -1.756 0.372 -11.897 482 H GLN 63 H GLN 63 2.190 1.762 -12.306 483 HA GLN 63 HA GLN 63 1.350 -0.023 -10.172 484 HB2 GLN 63 HB2 GLN 63 3.039 -0.048 -12.583 485 HB3 GLN 63 HB3 GLN 63 3.849 -0.827 -11.232 486 HG2 GLN 63 HG2 GLN 63 2.532 -2.384 -12.624 487 HG3 GLN 63 HG3 GLN 63 2.026 -2.390 -10.924 488 HE21 GLN 63 HE22 GLN 63 1.234 -0.737 -14.056 489 HE22 GLN 63 HE21 GLN 63 -0.501 -0.780 -13.793 490 H GLY 64 H GLY 64 4.352 1.955 -10.675 491 HA2 GLY 64 HA2 GLY 64 5.793 1.021 -8.503 492 HA3 GLY 64 HA3 GLY 64 5.812 2.694 -9.091 493 H LEU 65 H LEU 65 3.050 3.297 -8.523 494 HA LEU 65 HA LEU 65 3.282 4.193 -5.812 495 HB2 LEU 65 HB2 LEU 65 0.920 4.119 -7.718 496 HB3 LEU 65 HB3 LEU 65 0.974 5.056 -6.213 497 HG LEU 65 HG LEU 65 3.006 5.389 -8.444 498 HD11 LEU 65 HD11 LEU 65 0.646 5.876 -9.167 499 HD12 LEU 65 HD12 LEU 65 0.557 7.103 -7.887 500 HD13 LEU 65 HD13 LEU 65 1.726 7.279 -9.222 501 HD21 LEU 65 HD21 LEU 65 3.286 6.202 -5.883 502 HD22 LEU 65 HD22 LEU 65 3.837 7.186 -7.234 503 HD23 LEU 65 HD23 LEU 65 2.273 7.539 -6.469 504 H ARG 66 H ARG 66 2.557 1.056 -6.799 505 HA ARG 66 HA ARG 66 0.361 0.512 -4.950 506 HB2 ARG 66 HB2 ARG 66 2.294 -1.135 -6.655 507 HB3 ARG 66 HB3 ARG 66 0.918 -1.835 -5.806 508 HG2 ARG 66 HG2 ARG 66 -0.627 -0.393 -7.051 509 HG3 ARG 66 HG3 ARG 66 0.715 0.333 -7.939 510 HD2 ARG 66 HD2 ARG 66 -0.213 -1.413 -9.289 511 HD3 ARG 66 HD3 ARG 66 1.403 -1.904 -8.768 512 HE ARG 66 HE ARG 66 0.021 -3.110 -6.854 513 HH11 ARG 66 HH11 ARG 66 -0.827 -2.932 -10.288 514 HH12 ARG 66 HH12 ARG 66 -1.712 -4.439 -10.255 515 HH21 ARG 66 HH21 ARG 66 -1.113 -5.074 -6.862 516 HH22 ARG 66 HH22 ARG 66 -1.865 -5.649 -8.335 517 H TYR 67 H TYR 67 3.707 0.873 -5.006 518 HA TYR 67 HA TYR 67 4.180 -0.841 -2.615 519 HB2 TYR 67 HB2 TYR 67 6.172 0.070 -4.691 520 HB3 TYR 67 HB3 TYR 67 6.299 -1.309 -3.589 521 HD1 TYR 67 HD2 TYR 67 4.271 -3.068 -3.871 522 HD2 TYR 67 HD1 TYR 67 5.620 -0.303 -6.880 523 HE1 TYR 67 HE2 TYR 67 3.326 -4.536 -5.617 524 HE2 TYR 67 HE1 TYR 67 4.524 -1.683 -8.631 525 HH TYR 67 HH TYR 67 3.430 -3.648 -9.099 526 H THR 68 H THR 68 4.147 2.473 -3.588 527 HA THR 68 HA THR 68 6.484 3.307 -2.110 528 HB THR 68 HB THR 68 5.611 5.601 -2.600 529 HG1 THR 68 HG1 THR 68 3.396 5.100 -2.629 530 HG21 THR 68 HG21 THR 68 7.091 4.602 -4.197 531 HG22 THR 68 HG22 THR 68 5.799 3.580 -4.856 532 HG23 THR 68 HG23 THR 68 5.762 5.346 -5.106 533 H SER 69 H SER 69 4.324 1.817 -0.595 534 HA SER 69 HA SER 69 3.021 3.595 1.209 535 HB2 SER 69 HB2 SER 69 3.852 0.681 1.434 536 HB3 SER 69 HB3 SER 69 2.764 1.521 2.559 537 HG SER 69 HG SER 69 1.622 0.404 0.894 538 H THR 70 H THR 70 6.258 3.413 0.901 539 HA THR 70 HA THR 70 6.739 3.927 3.790 540 HB THR 70 HB THR 70 7.270 1.606 3.547 541 HG1 THR 70 HG1 THR 70 9.479 1.696 4.009 542 HG21 THR 70 HG21 THR 70 9.000 0.839 1.895 543 HG22 THR 70 HG22 THR 70 7.486 1.370 1.143 544 HG23 THR 70 HG23 THR 70 8.900 2.439 1.112 545 H ALA 71 H ALA 71 8.838 4.956 4.217 546 HA ALA 71 HA ALA 71 9.111 7.175 2.382 547 HB1 ALA 71 HB1 ALA 71 10.558 6.551 4.984 548 HB2 ALA 71 HB2 ALA 71 10.529 8.115 4.128 549 HB3 ALA 71 HB3 ALA 71 9.033 7.457 4.820 550 H GLU 72 H GLU 72 10.731 4.129 2.421 551 HA GLU 72 HA GLU 72 13.226 5.201 1.334 552 HB2 GLU 72 HB2 GLU 72 13.597 2.830 0.675 553 HB3 GLU 72 HB3 GLU 72 13.278 3.024 2.408 554 HG2 GLU 72 HG2 GLU 72 10.882 2.417 1.968 555 HG3 GLU 72 HG3 GLU 72 11.305 2.097 0.288 556 H HIS 73 H HIS 73 10.041 4.986 0.262 557 HA HIS 73 HA HIS 73 10.841 4.614 -2.581 558 HB2 HIS 73 HB2 HIS 73 8.358 3.823 -1.042 559 HB3 HIS 73 HB3 HIS 73 8.426 3.846 -2.801 560 HD2 HIS 73 HD2 HIS 73 11.754 2.711 -2.181 561 HE1 HIS 73 HE1 HIS 73 9.545 -0.888 -1.723 562 HE2 HIS 73 HE2 HIS 73 11.868 0.107 -2.071 563 H VAL 74 H VAL 74 9.893 6.947 -0.384 564 HA VAL 74 HA VAL 74 7.965 8.488 -1.755 565 HB VAL 74 HB VAL 74 8.757 8.844 0.559 566 HG11 VAL 74 HG11 VAL 74 11.273 10.030 -0.683 567 HG12 VAL 74 HG12 VAL 74 10.867 9.920 1.043 568 HG13 VAL 74 HG13 VAL 74 11.199 8.441 0.108 569 HG21 VAL 74 HG21 VAL 74 7.684 10.713 -0.723 570 HG22 VAL 74 HG22 VAL 74 8.856 11.292 0.489 571 HG23 VAL 74 HG23 VAL 74 9.318 11.237 -1.231 572 H ALA 75 H ALA 75 11.362 7.976 -2.290 573 HA ALA 75 HA ALA 75 12.094 10.204 -3.878 574 HB1 ALA 75 HB1 ALA 75 12.938 7.284 -4.114 575 HB2 ALA 75 HB2 ALA 75 13.871 8.701 -4.650 576 HB3 ALA 75 HB3 ALA 75 13.595 8.431 -2.907 577 H ILE 76 H ILE 76 10.377 7.225 -4.587 578 HA ILE 76 HA ILE 76 10.688 7.550 -7.508 579 HB ILE 76 HB ILE 76 9.599 5.308 -5.781 580 HG12 ILE 76 HG12 ILE 76 12.123 6.011 -5.564 581 HG13 ILE 76 HG13 ILE 76 11.697 4.393 -5.767 582 HG21 ILE 76 HG21 ILE 76 10.205 5.645 -8.743 583 HG22 ILE 76 HG22 ILE 76 10.080 4.042 -7.972 584 HG23 ILE 76 HG23 ILE 76 8.684 5.150 -7.978 585 HD11 ILE 76 HD11 ILE 76 12.488 6.382 -7.975 586 HD12 ILE 76 HD12 ILE 76 13.591 5.189 -7.244 587 HD13 ILE 76 HD13 ILE 76 12.229 4.647 -8.261 588 H ARG 77 H ARG 77 8.382 7.404 -4.863 589 HA ARG 77 HA ARG 77 5.922 7.567 -6.260 590 HB2 ARG 77 HB2 ARG 77 6.061 7.269 -3.850 591 HB3 ARG 77 HB3 ARG 77 6.793 8.867 -3.641 592 HG2 ARG 77 HG2 ARG 77 4.175 8.768 -5.083 593 HG3 ARG 77 HG3 ARG 77 4.139 8.378 -3.353 594 HD2 ARG 77 HD2 ARG 77 5.281 10.498 -2.821 595 HD3 ARG 77 HD3 ARG 77 5.334 10.917 -4.544 596 HE ARG 77 HE ARG 77 2.642 10.353 -3.789 597 HH11 ARG 77 HH11 ARG 77 5.151 12.792 -3.312 598 HH12 ARG 77 HH12 ARG 77 4.009 14.094 -3.072 599 HH21 ARG 77 HH21 ARG 77 1.168 12.067 -3.479 600 HH22 ARG 77 HH22 ARG 77 1.756 13.681 -3.169 601 H SER 78 H SER 78 8.517 9.805 -5.960 602 HA SER 78 HA SER 78 7.015 12.195 -6.746 603 HB2 SER 78 HB2 SER 78 9.103 12.100 -5.239 604 HB3 SER 78 HB3 SER 78 10.009 11.570 -6.647 605 HG SER 78 HG SER 78 10.122 13.853 -6.295 606 H LYS 79 H LYS 79 8.635 9.547 -8.343 607 HA LYS 79 HA LYS 79 8.925 11.106 -10.855 608 HB2 LYS 79 HB2 LYS 79 9.847 8.297 -10.108 609 HB3 LYS 79 HB3 LYS 79 10.259 9.188 -11.596 610 HG2 LYS 79 HG2 LYS 79 11.331 10.958 -10.209 611 HG3 LYS 79 HG3 LYS 79 10.973 10.017 -8.746 612 HD2 LYS 79 HD2 LYS 79 12.342 8.164 -9.548 613 HD3 LYS 79 HD3 LYS 79 12.673 9.033 -11.072 614 HE2 LYS 79 HE2 LYS 79 13.692 10.875 -9.796 615 HE3 LYS 79 HE3 LYS 79 13.375 10.015 -8.276 616 HZ1 LYS 79 HZ1 LYS 79 15.609 9.656 -8.966 617 HZ2 LYS 79 HZ2 LYS 79 14.792 8.239 -9.104 618 HZ3 LYS 79 HZ3 LYS 79 15.151 9.106 -10.449 619 H LEU 80 H LEU 80 7.225 8.352 -9.409 620 HA LEU 80 HA LEU 80 5.912 7.384 -11.756 621 HB2 LEU 80 HB2 LEU 80 5.351 7.358 -8.787 622 HB3 LEU 80 HB3 LEU 80 4.245 6.589 -9.925 623 HG LEU 80 HG LEU 80 5.576 4.812 -10.302 624 HD11 LEU 80 HD11 LEU 80 8.116 6.401 -9.872 625 HD12 LEU 80 HD12 LEU 80 7.980 4.680 -10.309 626 HD13 LEU 80 HD13 LEU 80 7.393 5.913 -11.432 627 HD21 LEU 80 HD21 LEU 80 5.207 4.942 -7.892 628 HD22 LEU 80 HD22 LEU 80 6.788 4.192 -8.238 629 HD23 LEU 80 HD23 LEU 80 6.689 5.883 -7.685 630 H GLN 81 H GLN 81 5.633 10.381 -10.204 631 HA GLN 81 HA GLN 81 2.913 10.873 -11.203 632 HB2 GLN 81 HB2 GLN 81 4.870 11.706 -9.093 633 HB3 GLN 81 HB3 GLN 81 3.885 13.037 -9.667 634 HG2 GLN 81 HG2 GLN 81 3.169 11.667 -7.630 635 HG3 GLN 81 HG3 GLN 81 1.931 12.093 -8.875 636 HE21 GLN 81 HE22 GLN 81 4.133 9.491 -7.840 637 HE22 GLN 81 HE21 GLN 81 3.091 8.177 -8.382 638 H TYR 82 H TYR 82 6.219 11.357 -12.015 639 HA TYR 82 HA TYR 82 5.644 13.888 -13.504 640 HB2 TYR 82 HB2 TYR 82 7.653 13.966 -12.195 641 HB3 TYR 82 HB3 TYR 82 8.164 12.381 -12.774 642 HD1 TYR 82 HD2 TYR 82 7.521 15.869 -13.988 643 HD2 TYR 82 HD1 TYR 82 9.493 12.119 -14.645 644 HE1 TYR 82 HE2 TYR 82 8.869 16.901 -15.813 645 HE2 TYR 82 HE1 TYR 82 10.900 13.156 -16.429 646 HH TYR 82 HH TYR 82 11.355 15.062 -17.610 647 H ARG 83 H ARG 83 7.480 10.829 -14.160 648 HA ARG 83 HA ARG 83 7.019 11.304 -17.001 649 HB2 ARG 83 HB2 ARG 83 8.485 9.598 -17.492 650 HB3 ARG 83 HB3 ARG 83 9.202 10.436 -16.144 651 HG2 ARG 83 HG2 ARG 83 7.611 7.864 -15.812 652 HG3 ARG 83 HG3 ARG 83 9.332 7.884 -16.185 653 HD2 ARG 83 HD2 ARG 83 8.850 9.636 -13.921 654 HD3 ARG 83 HD3 ARG 83 8.120 8.029 -13.657 655 HE ARG 83 HE ARG 83 10.219 7.080 -13.546 656 HH11 ARG 83 HH11 ARG 83 10.500 10.340 -14.848 657 HH12 ARG 83 HH12 ARG 83 12.235 10.403 -14.654 658 HH21 ARG 83 HH21 ARG 83 12.476 7.203 -13.233 659 HH22 ARG 83 HH22 ARG 83 13.353 8.638 -13.703 660 H LEU 84 H LEU 84 5.169 10.113 -14.584 661 HA LEU 84 HA LEU 84 3.545 8.220 -16.083 662 HB2 LEU 84 HB2 LEU 84 3.248 8.247 -13.688 663 HB3 LEU 84 HB3 LEU 84 3.194 9.970 -13.616 664 HG LEU 84 HG LEU 84 0.990 10.048 -14.665 665 HD11 LEU 84 HD11 LEU 84 1.115 8.009 -16.074 666 HD12 LEU 84 HD12 LEU 84 1.127 6.997 -14.608 667 HD13 LEU 84 HD13 LEU 84 -0.302 7.979 -15.017 668 HD21 LEU 84 HD21 LEU 84 1.319 9.839 -12.205 669 HD22 LEU 84 HD22 LEU 84 -0.220 9.129 -12.762 670 HD23 LEU 84 HD23 LEU 84 1.159 8.086 -12.344 671 H GLU 85 H GLU 85 3.652 11.775 -15.636 672 HA GLU 85 HA GLU 85 0.992 12.146 -16.795 673 HB2 GLU 85 HB2 GLU 85 3.149 13.957 -15.708 674 HB3 GLU 85 HB3 GLU 85 1.626 14.568 -16.393 675 HG2 GLU 85 HG2 GLU 85 1.768 12.493 -14.162 676 HG3 GLU 85 HG3 GLU 85 1.619 14.246 -13.910 677 H LEU 86 H LEU 86 4.394 12.804 -17.664 678 HA LEU 86 HA LEU 86 3.760 14.355 -19.986 679 HB2 LEU 86 HB2 LEU 86 6.058 14.475 -20.298 680 HB3 LEU 86 HB3 LEU 86 5.864 14.239 -18.547 681 HG LEU 86 HG LEU 86 6.253 11.700 -19.124 682 HD11 LEU 86 HD11 LEU 86 7.786 11.420 -21.043 683 HD12 LEU 86 HD12 LEU 86 6.240 12.041 -21.645 684 HD13 LEU 86 HD13 LEU 86 7.621 13.139 -21.456 685 HD21 LEU 86 HD21 LEU 86 7.714 13.169 -17.764 686 HD22 LEU 86 HD22 LEU 86 8.659 12.082 -18.790 687 HD23 LEU 86 HD23 LEU 86 8.467 13.792 -19.250 688 H ALA 87 H ALA 87 4.338 10.880 -19.446 689 HA ALA 87 HA ALA 87 4.653 10.054 -22.068 690 HB1 ALA 87 HB1 ALA 87 3.477 8.704 -19.594 691 HB2 ALA 87 HB2 ALA 87 4.040 7.842 -21.049 692 HB3 ALA 87 HB3 ALA 87 5.187 8.764 -20.044 693 H GLN 88 H GLN 88 1.670 9.911 -19.995 694 HA GLN 88 HA GLN 88 -0.151 9.107 -22.007 695 HB2 GLN 88 HB2 GLN 88 -1.871 9.986 -20.474 696 HB3 GLN 88 HB3 GLN 88 -0.721 8.792 -19.797 697 HG2 GLN 88 HG2 GLN 88 0.562 10.564 -18.757 698 HG3 GLN 88 HG3 GLN 88 -0.463 11.792 -19.514 699 HE21 GLN 88 HE22 GLN 88 0.046 9.736 -16.819 700 HE22 GLN 88 HE21 GLN 88 -1.467 9.988 -15.978 701 H GLY 89 H GLY 89 1.308 12.187 -21.437 702 HA2 GLY 89 HA2 GLY 89 -0.741 13.631 -23.006 703 HA3 GLY 89 HA3 GLY 89 0.616 14.337 -22.100 704 H ALA 90 H ALA 90 1.525 11.541 -23.817 705 HA ALA 90 HA ALA 90 2.448 13.040 -26.221 706 HB1 ALA 90 HB1 ALA 90 4.198 13.047 -24.441 707 HB2 ALA 90 HB2 ALA 90 4.082 11.255 -24.414 708 HB3 ALA 90 HB3 ALA 90 4.667 12.087 -25.877 709 H VAL 91 H VAL 91 1.368 10.049 -24.704 710 HA VAL 91 HA VAL 91 2.434 7.945 -26.159 711 HB VAL 91 HB VAL 91 -0.430 8.307 -25.806 712 HG11 VAL 91 HG11 VAL 91 -0.315 5.820 -25.348 713 HG12 VAL 91 HG12 VAL 91 0.458 6.219 -26.906 714 HG13 VAL 91 HG13 VAL 91 1.460 5.922 -25.444 715 HG21 VAL 91 HG21 VAL 91 -0.372 7.437 -23.571 716 HG22 VAL 91 HG22 VAL 91 1.411 7.563 -23.573 717 HG23 VAL 91 HG23 VAL 91 0.384 9.036 -23.791 718 H GLY 92 H GLY 92 -0.314 9.886 -27.109 719 HA2 GLY 92 HA2 GLY 92 -0.210 8.798 -29.882 720 HA3 GLY 92 HA3 GLY 92 -1.663 9.380 -29.053 721 H SER 93 H SER 93 1.125 11.276 -28.511 722 HA SER 93 HA SER 93 1.565 13.448 -28.831 723 HB2 SER 93 HB2 SER 93 2.191 14.071 -31.034 724 HB3 SER 93 HB3 SER 93 2.583 12.359 -30.803 725 HG SER 93 HG SER 93 1.561 12.758 -32.807 726 H VAL 94 H VAL 94 0.991 15.527 -30.260 727 HA VAL 94 HA VAL 94 -1.698 16.175 -29.315 728 HB VAL 94 HB VAL 94 0.467 17.956 -30.503 729 HG11 VAL 94 HG11 VAL 94 -2.053 18.585 -28.892 730 HG12 VAL 94 HG12 VAL 94 -0.822 19.765 -29.396 731 HG13 VAL 94 HG13 VAL 94 -1.810 18.947 -30.617 732 HG21 VAL 94 HG21 VAL 94 1.219 16.854 -28.424 733 HG22 VAL 94 HG22 VAL 94 0.883 18.571 -28.133 734 HG23 VAL 94 HG23 VAL 94 -0.294 17.340 -27.618 735 H GLN 95 H GLN 95 -2.815 14.890 -30.851 736 HA GLN 95 HA GLN 95 -3.237 16.338 -33.403 737 HB2 GLN 95 HB2 GLN 95 -3.742 14.016 -34.398 738 HB3 GLN 95 HB3 GLN 95 -2.064 14.514 -34.162 739 HG2 GLN 95 HG2 GLN 95 -2.319 12.199 -33.489 740 HG3 GLN 95 HG3 GLN 95 -1.877 13.204 -32.117 741 HE21 GLN 95 HE22 GLN 95 -2.990 12.820 -30.283 742 HE22 GLN 95 HE21 GLN 95 -4.604 12.141 -30.196 743 H ILE 96 H ILE 96 -4.523 16.194 -30.626 744 HA ILE 96 HA ILE 96 -7.272 16.225 -31.704 745 HB ILE 96 HB ILE 96 -8.094 15.209 -29.557 746 HG12 ILE 96 HG12 ILE 96 -5.174 14.408 -29.199 747 HG13 ILE 96 HG13 ILE 96 -6.027 15.618 -28.227 748 HG21 ILE 96 HG21 ILE 96 -7.926 13.967 -31.696 749 HG22 ILE 96 HG22 ILE 96 -6.312 13.392 -31.210 750 HG23 ILE 96 HG23 ILE 96 -7.747 12.929 -30.270 751 HD11 ILE 96 HD11 ILE 96 -6.697 12.652 -28.416 752 HD12 ILE 96 HD12 ILE 96 -5.995 13.505 -27.027 753 HD13 ILE 96 HD13 ILE 96 -7.666 13.853 -27.532 754 HA PRO 97 HA PRO 97 -6.094 19.686 -28.644 755 HB2 PRO 97 HB2 PRO 97 -5.104 21.705 -30.157 756 HB3 PRO 97 HB3 PRO 97 -4.064 20.336 -29.639 757 HG2 PRO 97 HG2 PRO 97 -5.521 20.653 -32.283 758 HG3 PRO 97 HG3 PRO 97 -3.782 20.292 -32.015 759 HD2 PRO 97 HD2 PRO 97 -5.593 18.318 -32.465 760 HD3 PRO 97 HD3 PRO 97 -4.231 18.108 -31.311 761 H VAL 98 H VAL 98 -6.928 22.132 -28.937 762 HA VAL 98 HA VAL 98 -9.360 22.125 -30.633 763 HB VAL 98 HB VAL 98 -9.293 23.197 -27.798 764 HG11 VAL 98 HG11 VAL 98 -11.009 24.207 -29.295 765 HG12 VAL 98 HG12 VAL 98 -11.564 22.581 -29.749 766 HG13 VAL 98 HG13 VAL 98 -11.771 23.161 -28.078 767 HG21 VAL 98 HG21 VAL 98 -9.057 20.746 -27.711 768 HG22 VAL 98 HG22 VAL 98 -10.688 21.213 -27.209 769 HG23 VAL 98 HG23 VAL 98 -10.419 20.558 -28.841 770 H VAL 99 H VAL 99 -7.184 23.044 -31.615 771 HA VAL 99 HA VAL 99 -6.562 25.760 -31.066 772 HB VAL 99 HB VAL 99 -5.132 23.840 -31.971 773 HG11 VAL 99 HG11 VAL 99 -6.512 24.486 -34.609 774 HG12 VAL 99 HG12 VAL 99 -5.181 23.338 -34.358 775 HG13 VAL 99 HG13 VAL 99 -6.778 23.017 -33.648 776 HG21 VAL 99 HG21 VAL 99 -5.100 26.358 -33.645 777 HG22 VAL 99 HG22 VAL 99 -4.381 26.150 -32.023 778 HG23 VAL 99 HG23 VAL 99 -3.763 25.197 -33.399 779 H GLU 100 H GLU 100 -9.325 25.261 -31.592 780 HA GLU 100 HA GLU 100 -10.272 25.976 -34.117 781 HB2 GLU 100 HB2 GLU 100 -11.605 24.994 -32.309 782 HB3 GLU 100 HB3 GLU 100 -11.409 26.469 -31.330 783 HG2 GLU 100 HG2 GLU 100 -12.673 27.791 -32.818 784 HG3 GLU 100 HG3 GLU 100 -12.585 26.513 -34.046 785 H VAL 101 H VAL 101 -10.832 27.817 -35.107 786 HA VAL 101 HA VAL 101 -10.525 30.428 -33.736 787 HB VAL 101 HB VAL 101 -9.477 29.835 -36.525 788 HG11 VAL 101 HG11 VAL 101 -10.324 32.141 -36.218 789 HG12 VAL 101 HG12 VAL 101 -9.324 32.316 -34.759 790 HG13 VAL 101 HG13 VAL 101 -8.558 32.133 -36.351 791 HG21 VAL 101 HG21 VAL 101 -7.964 30.346 -33.932 792 HG22 VAL 101 HG22 VAL 101 -8.014 28.815 -34.845 793 HG23 VAL 101 HG23 VAL 101 -7.236 30.248 -35.552 794 H ASP 102 H ASP 102 -12.221 31.774 -34.209 795 HA ASP 102 HA ASP 102 -13.854 31.345 -36.585 796 HB2 ASP 102 HB2 ASP 102 -14.684 29.659 -34.935 797 HB3 ASP 102 HB3 ASP 102 -14.968 30.941 -33.769 798 H GLU 103 H GLU 103 -12.120 33.346 -35.352 799 HA GLU 103 HA GLU 103 -13.957 35.657 -35.481 800 HB2 GLU 103 HB2 GLU 103 -13.164 36.628 -33.464 801 HB3 GLU 103 HB3 GLU 103 -13.732 34.984 -33.102 802 HG2 GLU 103 HG2 GLU 103 -10.808 35.319 -33.696 803 HG3 GLU 103 HG3 GLU 103 -11.424 36.000 -32.194 804 H LEU 104 H LEU 104 -12.058 37.550 -34.697 805 HA LEU 104 HA LEU 104 -10.839 38.234 -37.084 806 HB2 LEU 104 HB2 LEU 104 -10.183 38.961 -34.208 807 HB3 LEU 104 HB3 LEU 104 -9.476 39.805 -35.604 808 HG LEU 104 HG LEU 104 -12.431 39.618 -35.609 809 HD11 LEU 104 HD11 LEU 104 -12.507 41.733 -34.275 810 HD12 LEU 104 HD12 LEU 104 -11.896 40.379 -33.285 811 HD13 LEU 104 HD13 LEU 104 -10.769 41.583 -33.943 812 HD21 LEU 104 HD21 LEU 104 -10.866 40.475 -37.422 813 HD22 LEU 104 HD22 LEU 104 -11.857 41.823 -36.752 814 HD23 LEU 104 HD23 LEU 104 -10.167 41.552 -36.222 815 HA PRO 105 HA PRO 105 -6.759 36.579 -37.590 816 HB2 PRO 105 HB2 PRO 105 -5.960 39.487 -37.319 817 HB3 PRO 105 HB3 PRO 105 -5.426 38.295 -38.557 818 HG2 PRO 105 HG2 PRO 105 -7.291 40.047 -39.254 819 HG3 PRO 105 HG3 PRO 105 -7.591 38.305 -39.602 820 HD2 PRO 105 HD2 PRO 105 -8.535 39.919 -37.215 821 HD3 PRO 105 HD3 PRO 105 -9.538 38.891 -38.264 822 H GLU 106 H GLU 106 -4.555 36.535 -36.571 823 HA GLU 106 HA GLU 106 -4.886 36.244 -33.725 824 HB2 GLU 106 HB2 GLU 106 -2.611 35.316 -33.809 825 HB3 GLU 106 HB3 GLU 106 -3.616 34.640 -35.099 826 HG2 GLU 106 HG2 GLU 106 -2.614 36.240 -36.714 827 HG3 GLU 106 HG3 GLU 106 -1.613 36.917 -35.419 828 H GLY 107 H GLY 107 -4.698 39.080 -35.059 829 HA2 GLY 107 HA2 GLY 107 -3.548 40.430 -32.858 830 HA3 GLY 107 HA3 GLY 107 -2.295 40.295 -34.104 831 H TYR 108 H TYR 108 -5.864 40.748 -34.673 832 HA TYR 108 HA TYR 108 -5.676 42.475 -36.745 833 HB2 TYR 108 HB2 TYR 108 -7.575 41.198 -35.692 834 HB3 TYR 108 HB3 TYR 108 -7.674 42.436 -34.453 835 HD1 TYR 108 HD1 TYR 108 -8.116 41.644 -37.995 836 HD2 TYR 108 HD2 TYR 108 -8.609 44.654 -34.970 837 HE1 TYR 108 HE1 TYR 108 -9.943 42.592 -39.295 838 HE2 TYR 108 HE2 TYR 108 -10.312 45.798 -36.403 839 HH TYR 108 HH TYR 108 -11.389 44.420 -39.530 840 H ASP 109 H ASP 109 -5.832 43.279 -33.356 841 HA ASP 109 HA ASP 109 -6.322 45.373 -32.385 842 HB2 ASP 109 HB2 ASP 109 -4.048 44.550 -31.842 843 HB3 ASP 109 HB3 ASP 109 -3.389 45.415 -33.235 844 H ARG 110 H ARG 110 -7.794 46.368 -33.744 845 HA ARG 110 HA ARG 110 -7.289 47.923 -35.989 846 HB2 ARG 110 HB2 ARG 110 -9.522 47.291 -35.101 847 HB3 ARG 110 HB3 ARG 110 -9.307 48.424 -33.768 848 HG2 ARG 110 HG2 ARG 110 -10.728 49.313 -35.594 849 HG3 ARG 110 HG3 ARG 110 -9.290 50.316 -35.324 850 HD2 ARG 110 HD2 ARG 110 -8.208 49.469 -37.284 851 HD3 ARG 110 HD3 ARG 110 -9.360 48.134 -37.435 852 HE ARG 110 HE ARG 110 -10.855 49.509 -38.506 853 HH11 ARG 110 HH11 ARG 110 -8.377 51.586 -37.005 854 HH12 ARG 110 HH12 ARG 110 -8.944 53.004 -37.838 855 HH21 ARG 110 HH21 ARG 110 -11.554 51.392 -39.523 856 HH22 ARG 110 HH22 ARG 110 -10.721 52.905 -39.257 857 H SER 111 H SER 111 -5.659 49.308 -36.145 858 HA SER 111 HA SER 111 -4.595 50.994 -34.156 859 HB2 SER 111 HB2 SER 111 -3.588 52.216 -36.053 860 HB3 SER 111 HB3 SER 111 -3.415 50.461 -36.199 861 HG SER 111 HG SER 111 -4.117 51.422 -38.154 862 H1 ALA 701 H1 ALA 701 17.309 19.616 -17.737 863 H2 ALA 701 H2 ALA 701 18.006 18.533 -16.713 864 H3 ALA 701 H3 ALA 701 18.672 20.028 -16.901 865 HA ALA 701 HA ALA 701 16.766 21.071 -15.954 866 HB1 ALA 701 HB1 ALA 701 15.838 18.221 -15.430 867 HB2 ALA 701 HB2 ALA 701 15.002 19.709 -14.927 868 HB3 ALA 701 HB3 ALA 701 15.153 19.320 -16.649 869 H ASP 702 H ASP 702 16.018 19.796 -13.379 870 HA ASP 702 HA ASP 702 18.644 19.521 -12.042 871 HB2 ASP 702 HB2 ASP 702 16.543 21.622 -11.360 872 HB3 ASP 702 HB3 ASP 702 17.979 21.265 -10.394 873 H THR 703 H THR 703 16.649 17.551 -12.584 874 HA THR 703 HA THR 703 15.653 16.929 -9.834 875 HB THR 703 HB THR 703 13.843 18.036 -11.017 876 HG1 THR 703 HG1 THR 703 12.403 16.380 -10.672 877 HG21 THR 703 HG21 THR 703 14.253 15.836 -13.089 878 HG22 THR 703 HG22 THR 703 12.863 16.959 -13.028 879 HG23 THR 703 HG23 THR 703 14.509 17.572 -13.325 880 H GLU 704 H GLU 704 15.435 14.802 -9.348 881 HA GLU 704 HA GLU 704 17.222 13.012 -10.756 882 HB2 GLU 704 HB2 GLU 704 16.522 11.428 -8.952 883 HB3 GLU 704 HB3 GLU 704 17.158 12.967 -8.358 884 HG2 GLU 704 HG2 GLU 704 14.903 13.814 -7.970 885 HG3 GLU 704 HG3 GLU 704 14.194 12.338 -8.643 886 H MET 705 H MET 705 13.873 13.769 -11.206 887 HA MET 705 HA MET 705 13.164 11.167 -12.279 888 HB2 MET 705 HB2 MET 705 11.280 12.331 -13.338 889 HB3 MET 705 HB3 MET 705 11.455 12.442 -11.580 890 HG2 MET 705 HG2 MET 705 12.692 14.682 -12.095 891 HG3 MET 705 HG3 MET 705 11.962 14.584 -13.693 892 HE1 MET 705 HE1 MET 705 11.070 13.812 -10.080 893 HE2 MET 705 HE2 MET 705 9.384 14.380 -9.877 894 HE3 MET 705 HE3 MET 705 9.754 12.994 -10.941 895 H GLU 706 H GLU 706 15.235 13.727 -13.309 896 HA GLU 706 HA GLU 706 14.999 12.902 -16.137 897 HB2 GLU 706 HB2 GLU 706 15.243 15.327 -15.266 898 HB3 GLU 706 HB3 GLU 706 16.955 14.935 -15.038 899 HG2 GLU 706 HG2 GLU 706 17.003 14.197 -17.475 900 HG3 GLU 706 HG3 GLU 706 15.298 14.669 -17.595 901 H GLU 707 H GLU 707 15.965 11.342 -13.702 902 HA GLU 707 HA GLU 707 18.366 10.094 -14.906 903 HB2 GLU 707 HB2 GLU 707 18.004 11.050 -12.035 904 HB3 GLU 707 HB3 GLU 707 19.222 9.871 -12.501 905 HG2 GLU 707 HG2 GLU 707 19.025 12.696 -13.622 906 HG3 GLU 707 HG3 GLU 707 20.124 12.169 -12.342 907 H VAL 708 H VAL 708 18.707 7.933 -13.466 908 HA VAL 708 HA VAL 708 16.091 6.640 -13.673 909 HB VAL 708 HB VAL 708 17.070 4.692 -14.016 910 HG11 VAL 708 HG11 VAL 708 19.369 6.561 -14.689 911 HG12 VAL 708 HG12 VAL 708 19.047 4.972 -15.408 912 HG13 VAL 708 HG13 VAL 708 17.888 6.311 -15.672 913 HG21 VAL 708 HG21 VAL 708 19.450 5.535 -12.358 914 HG22 VAL 708 HG22 VAL 708 18.269 4.222 -12.020 915 HG23 VAL 708 HG23 VAL 708 19.398 4.059 -13.363 916 H ASP 709 H ASP 709 16.377 4.525 -11.837 917 HA ASP 709 HA ASP 709 15.275 4.150 -9.928 918 HB2 ASP 709 HB2 ASP 709 16.603 4.590 -7.866 919 HB3 ASP 709 HB3 ASP 709 17.345 3.629 -9.108 Start of MODEL 10 1 H1 SER 2 H1 SER 2 21.996 -13.560 -2.896 2 H2 SER 2 H2 SER 2 22.468 -12.100 -2.294 3 H3 SER 2 H3 SER 2 23.204 -12.720 -3.631 4 HA SER 2 HA SER 2 21.197 -12.543 -4.900 5 HB2 SER 2 HB2 SER 2 19.281 -11.320 -3.923 6 HB3 SER 2 HB3 SER 2 19.611 -12.839 -3.058 7 HG SER 2 HG SER 2 19.286 -11.062 -1.648 8 H GLN 3 H GLN 3 20.339 -10.376 -5.757 9 HA GLN 3 HA GLN 3 21.926 -8.023 -5.023 10 HB2 GLN 3 HB2 GLN 3 22.866 -7.753 -7.286 11 HB3 GLN 3 HB3 GLN 3 23.450 -9.250 -6.537 12 HG2 GLN 3 HG2 GLN 3 21.773 -10.551 -7.823 13 HG3 GLN 3 HG3 GLN 3 21.154 -9.051 -8.534 14 HE21 GLN 3 HE22 GLN 3 21.611 -10.015 -10.628 15 HE22 GLN 3 HE21 GLN 3 23.244 -9.992 -11.257 16 H PHE 4 H PHE 4 21.301 -6.138 -6.526 17 HA PHE 4 HA PHE 4 18.807 -6.319 -8.020 18 HB2 PHE 4 HB2 PHE 4 17.886 -6.265 -5.736 19 HB3 PHE 4 HB3 PHE 4 18.991 -4.970 -5.286 20 HD1 PHE 4 HD2 PHE 4 18.665 -2.606 -6.231 21 HD2 PHE 4 HD1 PHE 4 15.828 -5.799 -6.866 22 HE1 PHE 4 HE2 PHE 4 16.912 -0.959 -6.684 23 HE2 PHE 4 HE1 PHE 4 14.075 -4.119 -7.355 24 HZ PHE 4 HZ PHE 4 14.614 -1.691 -7.226 25 H GLU 5 H GLU 5 21.189 -4.493 -6.171 26 HA GLU 5 HA GLU 5 21.107 -2.005 -7.375 27 HB2 GLU 5 HB2 GLU 5 23.399 -3.717 -6.353 28 HB3 GLU 5 HB3 GLU 5 23.581 -2.041 -6.801 29 HG2 GLU 5 HG2 GLU 5 23.209 -1.971 -4.446 30 HG3 GLU 5 HG3 GLU 5 21.705 -1.429 -5.231 31 H LYS 6 H LYS 6 23.160 -4.906 -8.464 32 HA LYS 6 HA LYS 6 24.418 -3.210 -10.349 33 HB2 LYS 6 HB2 LYS 6 24.279 -6.134 -9.764 34 HB3 LYS 6 HB3 LYS 6 24.773 -5.681 -11.403 35 HG2 LYS 6 HG2 LYS 6 26.748 -5.843 -10.055 36 HG3 LYS 6 HG3 LYS 6 26.472 -4.136 -10.493 37 HD2 LYS 6 HD2 LYS 6 25.551 -3.689 -8.254 38 HD3 LYS 6 HD3 LYS 6 25.738 -5.412 -7.822 39 HE2 LYS 6 HE2 LYS 6 28.168 -5.239 -8.213 40 HE3 LYS 6 HE3 LYS 6 27.986 -3.527 -8.634 41 HZ1 LYS 6 HZ1 LYS 6 28.664 -3.810 -6.355 42 HZ2 LYS 6 HZ2 LYS 6 27.177 -3.122 -6.414 43 HZ3 LYS 6 HZ3 LYS 6 27.342 -4.716 -6.020 44 H GLN 7 H GLN 7 21.606 -5.428 -10.580 45 HA GLN 7 HA GLN 7 21.203 -5.166 -13.377 46 HB2 GLN 7 HB2 GLN 7 19.223 -5.784 -11.159 47 HB3 GLN 7 HB3 GLN 7 19.075 -6.171 -12.895 48 HG2 GLN 7 HG2 GLN 7 21.351 -7.354 -12.662 49 HG3 GLN 7 HG3 GLN 7 21.144 -7.213 -10.900 50 HE21 GLN 7 HE22 GLN 7 19.258 -8.188 -13.824 51 HE22 GLN 7 HE21 GLN 7 18.583 -9.619 -13.072 52 H LYS 8 H LYS 8 20.921 -2.796 -10.876 53 HA LYS 8 HA LYS 8 18.870 -1.227 -12.359 54 HB2 LYS 8 HB2 LYS 8 18.595 -1.734 -9.967 55 HB3 LYS 8 HB3 LYS 8 20.170 -1.005 -9.624 56 HG2 LYS 8 HG2 LYS 8 19.370 1.196 -10.296 57 HG3 LYS 8 HG3 LYS 8 17.823 0.494 -10.859 58 HD2 LYS 8 HD2 LYS 8 17.526 1.351 -8.556 59 HD3 LYS 8 HD3 LYS 8 17.408 -0.404 -8.610 60 HE2 LYS 8 HE2 LYS 8 18.758 0.183 -6.697 61 HE3 LYS 8 HE3 LYS 8 19.791 -0.567 -7.904 62 HZ1 LYS 8 HZ1 LYS 8 20.779 1.427 -6.948 63 HZ2 LYS 8 HZ2 LYS 8 20.528 1.646 -8.553 64 HZ3 LYS 8 HZ3 LYS 8 19.518 2.346 -7.465 65 H GLU 9 H GLU 9 22.112 -1.152 -10.936 66 HA GLU 9 HA GLU 9 22.826 1.501 -11.785 67 HB2 GLU 9 HB2 GLU 9 24.450 -0.832 -10.731 68 HB3 GLU 9 HB3 GLU 9 25.027 0.847 -10.851 69 HG2 GLU 9 HG2 GLU 9 22.486 0.060 -9.375 70 HG3 GLU 9 HG3 GLU 9 24.062 0.094 -8.587 71 H GLN 10 H GLN 10 23.283 -1.781 -13.112 72 HA GLN 10 HA GLN 10 25.208 -0.962 -15.092 73 HB2 GLN 10 HB2 GLN 10 24.481 -3.386 -14.415 74 HB3 GLN 10 HB3 GLN 10 23.095 -3.118 -15.487 75 HG2 GLN 10 HG2 GLN 10 25.046 -2.337 -17.165 76 HG3 GLN 10 HG3 GLN 10 26.019 -3.384 -16.112 77 HE21 GLN 10 HE22 GLN 10 23.102 -3.225 -18.175 78 HE22 GLN 10 HE21 GLN 10 23.031 -4.929 -18.556 79 H GLY 11 H GLY 11 21.620 -1.147 -15.085 80 HA2 GLY 11 HA2 GLY 11 21.330 -0.100 -17.747 81 HA3 GLY 11 HA3 GLY 11 20.074 -0.212 -16.504 82 H ASN 12 H ASN 12 21.764 1.284 -14.524 83 HA ASN 12 HA ASN 12 20.944 3.948 -14.923 84 HB2 ASN 12 HB2 ASN 12 21.511 2.594 -12.846 85 HB3 ASN 12 HB3 ASN 12 23.220 2.928 -13.209 86 HD21 ASN 12 HD22 ASN 12 22.459 3.485 -10.824 87 HD22 ASN 12 HD21 ASN 12 22.320 5.187 -10.547 88 H SER 13 H SER 13 23.242 2.347 -16.711 89 HA SER 13 HA SER 13 24.325 5.019 -17.467 90 HB2 SER 13 HB2 SER 13 26.109 3.872 -16.354 91 HB3 SER 13 HB3 SER 13 25.863 2.404 -17.328 92 HG SER 13 HG SER 13 27.558 3.736 -18.136 93 H LEU 14 H LEU 14 23.400 1.671 -18.571 94 HA LEU 14 HA LEU 14 23.605 2.047 -21.334 95 HB2 LEU 14 HB2 LEU 14 21.550 0.601 -19.659 96 HB3 LEU 14 HB3 LEU 14 21.809 0.369 -21.377 97 HG LEU 14 HG LEU 14 23.366 -0.673 -19.101 98 HD11 LEU 14 HD11 LEU 14 23.159 -1.218 -22.045 99 HD12 LEU 14 HD12 LEU 14 23.838 -2.355 -20.830 100 HD13 LEU 14 HD13 LEU 14 22.098 -1.917 -20.775 101 HD21 LEU 14 HD21 LEU 14 25.170 0.877 -19.899 102 HD22 LEU 14 HD22 LEU 14 25.517 -0.796 -20.336 103 HD23 LEU 14 HD23 LEU 14 24.879 0.304 -21.570 104 H PHE 15 H PHE 15 21.098 3.172 -19.034 105 HA PHE 15 HA PHE 15 19.199 4.069 -21.014 106 HB2 PHE 15 HB2 PHE 15 18.390 3.618 -18.842 107 HB3 PHE 15 HB3 PHE 15 19.740 4.446 -18.067 108 HD1 PHE 15 HD2 PHE 15 16.676 5.148 -20.109 109 HD2 PHE 15 HD1 PHE 15 19.583 6.631 -17.297 110 HE1 PHE 15 HE2 PHE 15 15.291 7.172 -19.726 111 HE2 PHE 15 HE1 PHE 15 18.104 8.518 -16.762 112 HZ PHE 15 HZ PHE 15 16.001 8.854 -18.032 113 H LYS 16 H LYS 16 22.104 5.414 -19.528 114 HA LYS 16 HA LYS 16 21.387 8.114 -20.335 115 HB2 LYS 16 HB2 LYS 16 23.946 7.128 -19.042 116 HB3 LYS 16 HB3 LYS 16 23.254 8.777 -19.017 117 HG2 LYS 16 HG2 LYS 16 21.262 7.841 -17.799 118 HG3 LYS 16 HG3 LYS 16 22.070 6.261 -17.761 119 HD2 LYS 16 HD2 LYS 16 22.486 7.195 -15.711 120 HD3 LYS 16 HD3 LYS 16 24.017 7.368 -16.597 121 HE2 LYS 16 HE2 LYS 16 23.336 9.748 -17.139 122 HE3 LYS 16 HE3 LYS 16 21.876 9.503 -16.158 123 HZ1 LYS 16 HZ1 LYS 16 23.592 10.583 -14.900 124 HZ2 LYS 16 HZ2 LYS 16 23.297 9.096 -14.267 125 HZ3 LYS 16 HZ3 LYS 16 24.648 9.357 -15.175 126 H GLN 17 H GLN 17 22.791 5.453 -21.912 127 HA GLN 17 HA GLN 17 24.847 6.974 -23.387 128 HB2 GLN 17 HB2 GLN 17 24.063 4.049 -23.119 129 HB3 GLN 17 HB3 GLN 17 25.153 4.613 -24.388 130 HG2 GLN 17 HG2 GLN 17 26.564 5.721 -22.640 131 HG3 GLN 17 HG3 GLN 17 25.604 4.911 -21.399 132 HE21 GLN 17 HE22 GLN 17 25.290 2.434 -21.873 133 HE22 GLN 17 HE21 GLN 17 26.735 1.560 -22.343 134 H GLY 18 H GLY 18 21.556 5.738 -23.771 135 HA2 GLY 18 HA2 GLY 18 20.624 6.930 -25.930 136 HA3 GLY 18 HA3 GLY 18 21.846 5.833 -26.704 137 H LEU 19 H LEU 19 21.367 3.831 -24.596 138 HA LEU 19 HA LEU 19 19.385 2.486 -26.328 139 HB2 LEU 19 HB2 LEU 19 20.738 0.446 -25.437 140 HB3 LEU 19 HB3 LEU 19 21.166 1.366 -26.850 141 HG LEU 19 HG LEU 19 22.695 2.681 -24.956 142 HD11 LEU 19 HD11 LEU 19 22.483 -0.221 -24.049 143 HD12 LEU 19 HD12 LEU 19 23.513 1.039 -23.325 144 HD13 LEU 19 HD13 LEU 19 21.740 1.146 -23.193 145 HD21 LEU 19 HD21 LEU 19 23.427 0.024 -26.239 146 HD22 LEU 19 HD22 LEU 19 23.567 1.624 -27.006 147 HD23 LEU 19 HD23 LEU 19 24.557 1.233 -25.582 148 H TYR 20 H TYR 20 17.976 3.642 -24.943 149 HA TYR 20 HA TYR 20 17.450 3.284 -22.273 150 HB2 TYR 20 HB2 TYR 20 15.442 3.355 -24.536 151 HB3 TYR 20 HB3 TYR 20 15.191 4.025 -22.935 152 HD1 TYR 20 HD2 TYR 20 17.639 5.480 -22.350 153 HD2 TYR 20 HD1 TYR 20 15.548 5.116 -26.089 154 HE1 TYR 20 HE2 TYR 20 18.662 7.617 -23.129 155 HE2 TYR 20 HE1 TYR 20 16.557 7.246 -26.869 156 HH TYR 20 HH TYR 20 17.956 8.997 -26.349 157 H ARG 21 H ARG 21 16.569 1.096 -25.012 158 HA ARG 21 HA ARG 21 14.810 -0.553 -23.412 159 HB2 ARG 21 HB2 ARG 21 15.250 -0.213 -26.076 160 HB3 ARG 21 HB3 ARG 21 16.307 -1.600 -25.802 161 HG2 ARG 21 HG2 ARG 21 13.331 -1.338 -25.454 162 HG3 ARG 21 HG3 ARG 21 14.250 -2.476 -26.467 163 HD2 ARG 21 HD2 ARG 21 15.039 -3.609 -24.350 164 HD3 ARG 21 HD3 ARG 21 13.989 -2.523 -23.425 165 HE ARG 21 HE ARG 21 13.212 -4.860 -24.959 166 HH11 ARG 21 HH11 ARG 21 12.063 -1.747 -23.724 167 HH12 ARG 21 HH12 ARG 21 10.380 -2.239 -23.748 168 HH21 ARG 21 HH21 ARG 21 11.027 -5.456 -24.977 169 HH22 ARG 21 HH22 ARG 21 9.801 -4.324 -24.451 170 H GLU 22 H GLU 22 18.244 -0.762 -24.433 171 HA GLU 22 HA GLU 22 18.728 -3.329 -23.281 172 HB2 GLU 22 HB2 GLU 22 20.631 -0.995 -23.682 173 HB3 GLU 22 HB3 GLU 22 21.104 -2.684 -23.383 174 HG2 GLU 22 HG2 GLU 22 19.858 -3.337 -25.456 175 HG3 GLU 22 HG3 GLU 22 19.549 -1.627 -25.782 176 H ALA 23 H ALA 23 18.408 -0.120 -21.922 177 HA ALA 23 HA ALA 23 19.663 -0.724 -19.390 178 HB1 ALA 23 HB1 ALA 23 18.869 1.445 -18.759 179 HB2 ALA 23 HB2 ALA 23 19.341 1.556 -20.478 180 HB3 ALA 23 HB3 ALA 23 17.635 1.458 -20.044 181 H VAL 24 H VAL 24 16.281 -0.784 -20.707 182 HA VAL 24 HA VAL 24 15.052 -1.217 -18.200 183 HB VAL 24 HB VAL 24 13.157 -1.224 -19.275 184 HG11 VAL 24 HG11 VAL 24 14.523 -0.130 -21.687 185 HG12 VAL 24 HG12 VAL 24 12.990 0.349 -20.946 186 HG13 VAL 24 HG13 VAL 24 14.533 0.722 -20.117 187 HG21 VAL 24 HG21 VAL 24 13.028 -3.222 -20.185 188 HG22 VAL 24 HG22 VAL 24 12.532 -2.044 -21.407 189 HG23 VAL 24 HG23 VAL 24 14.155 -2.839 -21.532 190 H HIS 25 H HIS 25 16.464 -3.019 -20.676 191 HA HIS 25 HA HIS 25 15.400 -5.555 -20.314 192 HB2 HIS 25 HB2 HIS 25 17.090 -4.326 -22.017 193 HB3 HIS 25 HB3 HIS 25 18.269 -5.273 -21.167 194 HD2 HIS 25 HD2 HIS 25 16.654 -5.303 -24.199 195 HE1 HIS 25 HE1 HIS 25 15.812 -9.325 -23.119 196 HE2 HIS 25 HE2 HIS 25 15.890 -7.675 -25.048 197 H CYS 26 H CYS 26 17.307 -3.808 -18.161 198 HA CYS 26 HA CYS 26 18.068 -6.268 -16.653 199 HB2 CYS 26 HB2 CYS 26 19.473 -3.566 -16.740 200 HB3 CYS 26 HB3 CYS 26 19.923 -4.946 -15.704 201 HG CYS 26 HG CYS 26 19.716 -4.831 -19.005 202 H TYR 27 H TYR 27 16.735 -2.998 -16.703 203 HA TYR 27 HA TYR 27 15.964 -2.590 -14.010 204 HB2 TYR 27 HB2 TYR 27 14.636 -2.064 -16.681 205 HB3 TYR 27 HB3 TYR 27 14.052 -1.331 -15.260 206 HD1 TYR 27 HD1 TYR 27 17.476 -1.178 -14.619 207 HD2 TYR 27 HD2 TYR 27 14.482 0.454 -17.249 208 HE1 TYR 27 HE1 TYR 27 18.830 0.875 -14.899 209 HE2 TYR 27 HE2 TYR 27 15.792 2.510 -17.505 210 HH TYR 27 HH TYR 27 18.982 2.936 -15.880 211 H ASP 28 H ASP 28 14.586 -4.619 -16.605 212 HA ASP 28 HA ASP 28 12.031 -4.995 -15.451 213 HB2 ASP 28 HB2 ASP 28 12.693 -5.398 -17.821 214 HB3 ASP 28 HB3 ASP 28 13.582 -6.839 -17.290 215 H GLN 29 H GLN 29 15.190 -6.537 -14.826 216 HA GLN 29 HA GLN 29 13.984 -8.697 -13.342 217 HB2 GLN 29 HB2 GLN 29 16.854 -7.693 -13.510 218 HB3 GLN 29 HB3 GLN 29 16.328 -9.106 -12.583 219 HG2 GLN 29 HG2 GLN 29 16.782 -10.235 -14.478 220 HG3 GLN 29 HG3 GLN 29 15.159 -9.727 -14.939 221 HE21 GLN 29 HE22 GLN 29 14.937 -8.520 -16.800 222 HE22 GLN 29 HE21 GLN 29 16.276 -7.815 -17.688 223 H LEU 30 H LEU 30 14.640 -5.352 -12.611 224 HA LEU 30 HA LEU 30 14.984 -5.632 -9.740 225 HB2 LEU 30 HB2 LEU 30 13.670 -3.398 -11.311 226 HB3 LEU 30 HB3 LEU 30 14.336 -3.281 -9.668 227 HG LEU 30 HG LEU 30 15.776 -3.650 -12.271 228 HD11 LEU 30 HD11 LEU 30 16.011 -1.551 -10.091 229 HD12 LEU 30 HD12 LEU 30 16.931 -1.585 -11.617 230 HD13 LEU 30 HD13 LEU 30 15.165 -1.350 -11.646 231 HD21 LEU 30 HD21 LEU 30 16.883 -5.131 -10.621 232 HD22 LEU 30 HD22 LEU 30 17.894 -3.710 -10.926 233 HD23 LEU 30 HD23 LEU 30 16.926 -3.788 -9.442 234 H ILE 31 H ILE 31 12.236 -5.522 -12.000 235 HA ILE 31 HA ILE 31 10.273 -5.502 -9.842 236 HB ILE 31 HB ILE 31 9.799 -6.260 -12.759 237 HG12 ILE 31 HG12 ILE 31 8.866 -3.660 -12.420 238 HG13 ILE 31 HG13 ILE 31 10.377 -3.621 -11.520 239 HG21 ILE 31 HG21 ILE 31 8.172 -5.077 -10.503 240 HG22 ILE 31 HG22 ILE 31 7.550 -5.440 -12.140 241 HG23 ILE 31 HG23 ILE 31 8.090 -6.783 -11.089 242 HD11 ILE 31 HD11 ILE 31 10.055 -4.590 -14.396 243 HD12 ILE 31 HD12 ILE 31 10.612 -2.977 -13.918 244 HD13 ILE 31 HD13 ILE 31 11.590 -4.417 -13.492 245 H THR 32 H THR 32 11.886 -7.974 -11.875 246 HA THR 32 HA THR 32 10.102 -10.028 -10.820 247 HB THR 32 HB THR 32 12.752 -10.015 -12.340 248 HG1 THR 32 HG1 THR 32 10.969 -9.310 -13.506 249 HG21 THR 32 HG21 THR 32 11.028 -12.447 -11.755 250 HG22 THR 32 HG22 THR 32 12.388 -12.376 -12.913 251 HG23 THR 32 HG23 THR 32 12.688 -12.133 -11.181 252 H ALA 33 H ALA 33 13.190 -8.617 -9.797 253 HA ALA 33 HA ALA 33 13.639 -10.800 -7.898 254 HB1 ALA 33 HB1 ALA 33 14.968 -8.056 -8.212 255 HB2 ALA 33 HB2 ALA 33 15.546 -9.367 -7.171 256 HB3 ALA 33 HB3 ALA 33 15.551 -9.571 -8.939 257 H GLN 34 H GLN 34 12.166 -7.600 -8.050 258 HA GLN 34 HA GLN 34 11.089 -7.952 -5.352 259 HB2 GLN 34 HB2 GLN 34 13.337 -6.466 -5.801 260 HB3 GLN 34 HB3 GLN 34 12.177 -5.254 -6.202 261 HG2 GLN 34 HG2 GLN 34 11.182 -5.460 -3.906 262 HG3 GLN 34 HG3 GLN 34 12.316 -6.797 -3.559 263 HE21 GLN 34 HE22 GLN 34 14.638 -6.054 -4.691 264 HE22 GLN 34 HE21 GLN 34 15.190 -4.451 -4.313 265 HA PRO 35 HA PRO 35 8.171 -6.665 -8.682 266 HB2 PRO 35 HB2 PRO 35 6.261 -8.595 -7.939 267 HB3 PRO 35 HB3 PRO 35 7.514 -8.724 -9.192 268 HG2 PRO 35 HG2 PRO 35 7.457 -10.096 -6.583 269 HG3 PRO 35 HG3 PRO 35 8.506 -10.387 -8.013 270 HD2 PRO 35 HD2 PRO 35 9.254 -9.071 -5.627 271 HD3 PRO 35 HD3 PRO 35 10.196 -9.396 -7.112 272 H GLN 36 H GLN 36 8.254 -6.917 -5.425 273 HA GLN 36 HA GLN 36 6.081 -4.931 -5.124 274 HB2 GLN 36 HB2 GLN 36 7.552 -6.358 -2.876 275 HB3 GLN 36 HB3 GLN 36 6.124 -5.328 -2.722 276 HG2 GLN 36 HG2 GLN 36 4.855 -7.175 -2.928 277 HG3 GLN 36 HG3 GLN 36 5.396 -7.305 -4.608 278 HE21 GLN 36 HE22 GLN 36 7.196 -8.676 -5.105 279 HE22 GLN 36 HE21 GLN 36 7.792 -9.886 -3.979 280 H ASN 37 H ASN 37 8.357 -4.060 -6.414 281 HA ASN 37 HA ASN 37 9.127 -1.864 -4.567 282 HB2 ASN 37 HB2 ASN 37 11.366 -2.473 -4.548 283 HB3 ASN 37 HB3 ASN 37 10.865 -3.958 -5.334 284 HD21 ASN 37 HD22 ASN 37 10.768 -4.037 -7.629 285 HD22 ASN 37 HD21 ASN 37 11.931 -3.105 -8.572 286 HA PRO 38 HA PRO 38 7.972 0.501 -7.965 287 HB2 PRO 38 HB2 PRO 38 8.392 2.874 -6.890 288 HB3 PRO 38 HB3 PRO 38 7.433 1.662 -6.011 289 HG2 PRO 38 HG2 PRO 38 10.363 2.345 -5.536 290 HG3 PRO 38 HG3 PRO 38 9.023 2.232 -4.345 291 HD2 PRO 38 HD2 PRO 38 10.783 0.170 -5.069 292 HD3 PRO 38 HD3 PRO 38 9.161 -0.055 -4.322 293 H VAL 39 H VAL 39 11.468 1.407 -6.886 294 HA VAL 39 HA VAL 39 12.128 2.661 -9.193 295 HB VAL 39 HB VAL 39 14.123 2.450 -8.591 296 HG11 VAL 39 HG11 VAL 39 13.338 0.982 -6.107 297 HG12 VAL 39 HG12 VAL 39 14.767 2.034 -6.447 298 HG13 VAL 39 HG13 VAL 39 13.155 2.740 -6.435 299 HG21 VAL 39 HG21 VAL 39 14.688 0.578 -9.697 300 HG22 VAL 39 HG22 VAL 39 15.409 0.385 -8.081 301 HG23 VAL 39 HG23 VAL 39 13.913 -0.512 -8.527 302 H GLY 40 H GLY 40 11.555 -0.686 -8.730 303 HA2 GLY 40 HA2 GLY 40 12.555 -1.905 -11.136 304 HA3 GLY 40 HA3 GLY 40 11.165 -2.452 -10.283 305 H TYR 41 H TYR 41 9.253 -0.505 -10.635 306 HA TYR 41 HA TYR 41 8.621 -0.465 -13.421 307 HB2 TYR 41 HB2 TYR 41 7.631 1.037 -10.976 308 HB3 TYR 41 HB3 TYR 41 6.769 1.027 -12.486 309 HD1 TYR 41 HD1 TYR 41 5.871 -1.184 -13.394 310 HD2 TYR 41 HD2 TYR 41 7.412 -0.709 -9.418 311 HE1 TYR 41 HE1 TYR 41 4.750 -3.301 -12.727 312 HE2 TYR 41 HE2 TYR 41 6.300 -2.838 -8.727 313 HH TYR 41 HH TYR 41 4.361 -4.783 -11.026 314 H SER 42 H SER 42 10.314 1.711 -11.198 315 HA SER 42 HA SER 42 9.699 4.125 -12.653 316 HB2 SER 42 HB2 SER 42 11.936 3.755 -10.616 317 HB3 SER 42 HB3 SER 42 11.043 5.243 -11.062 318 HG SER 42 HG SER 42 9.873 2.947 -9.891 319 H ASN 43 H ASN 43 12.439 1.846 -12.704 320 HA ASN 43 HA ASN 43 14.114 3.664 -14.259 321 HB2 ASN 43 HB2 ASN 43 14.268 0.724 -13.480 322 HB3 ASN 43 HB3 ASN 43 15.469 1.544 -14.510 323 HD21 ASN 43 HD22 ASN 43 13.821 2.429 -11.406 324 HD22 ASN 43 HD21 ASN 43 15.317 2.858 -10.594 325 H LYS 44 H LYS 44 12.321 0.606 -14.857 326 HA LYS 44 HA LYS 44 12.551 0.405 -17.689 327 HB2 LYS 44 HB2 LYS 44 11.776 -1.306 -16.162 328 HB3 LYS 44 HB3 LYS 44 10.326 -0.359 -15.789 329 HG2 LYS 44 HG2 LYS 44 9.581 -0.549 -18.136 330 HG3 LYS 44 HG3 LYS 44 11.080 -1.404 -18.562 331 HD2 LYS 44 HD2 LYS 44 10.517 -3.203 -16.948 332 HD3 LYS 44 HD3 LYS 44 9.006 -2.363 -16.550 333 HE2 LYS 44 HE2 LYS 44 8.277 -2.568 -18.905 334 HE3 LYS 44 HE3 LYS 44 9.803 -3.369 -19.317 335 HZ1 LYS 44 HZ1 LYS 44 9.206 -5.133 -17.798 336 HZ2 LYS 44 HZ2 LYS 44 7.786 -4.396 -17.430 337 HZ3 LYS 44 HZ3 LYS 44 8.055 -4.952 -18.955 338 H ALA 45 H ALA 45 10.453 2.430 -15.606 339 HA ALA 45 HA ALA 45 8.675 3.218 -17.760 340 HB1 ALA 45 HB1 ALA 45 9.224 4.420 -15.011 341 HB2 ALA 45 HB2 ALA 45 7.916 4.934 -16.115 342 HB3 ALA 45 HB3 ALA 45 7.926 3.293 -15.434 343 H MET 46 H MET 46 11.344 4.995 -16.022 344 HA MET 46 HA MET 46 11.130 7.327 -17.544 345 HB2 MET 46 HB2 MET 46 12.712 6.441 -15.489 346 HB3 MET 46 HB3 MET 46 13.891 6.509 -16.805 347 HG2 MET 46 HG2 MET 46 12.056 8.779 -15.900 348 HG3 MET 46 HG3 MET 46 13.761 8.597 -15.490 349 HE1 MET 46 HE1 MET 46 11.993 10.496 -19.227 350 HE2 MET 46 HE2 MET 46 11.237 9.049 -18.534 351 HE3 MET 46 HE3 MET 46 11.375 10.525 -17.553 352 H ALA 47 H ALA 47 12.687 4.230 -18.337 353 HA ALA 47 HA ALA 47 14.067 5.227 -20.677 354 HB1 ALA 47 HB1 ALA 47 14.809 3.229 -19.471 355 HB2 ALA 47 HB2 ALA 47 13.250 2.433 -19.792 356 HB3 ALA 47 HB3 ALA 47 14.358 2.799 -21.131 357 H LEU 48 H LEU 48 10.847 3.671 -20.092 358 HA LEU 48 HA LEU 48 10.234 3.300 -22.842 359 HB2 LEU 48 HB2 LEU 48 8.537 3.675 -20.354 360 HB3 LEU 48 HB3 LEU 48 7.821 3.414 -21.955 361 HG LEU 48 HG LEU 48 9.854 1.513 -20.725 362 HD11 LEU 48 HD11 LEU 48 7.842 1.607 -19.309 363 HD12 LEU 48 HD12 LEU 48 6.809 1.433 -20.746 364 HD13 LEU 48 HD13 LEU 48 7.862 0.087 -20.236 365 HD21 LEU 48 HD21 LEU 48 9.025 -0.053 -22.388 366 HD22 LEU 48 HD22 LEU 48 7.868 1.153 -22.986 367 HD23 LEU 48 HD23 LEU 48 9.626 1.420 -23.185 368 H ILE 49 H ILE 49 10.168 6.216 -20.825 369 HA ILE 49 HA ILE 49 8.562 7.753 -22.710 370 HB ILE 49 HB ILE 49 10.431 8.329 -20.375 371 HG12 ILE 49 HG12 ILE 49 8.400 9.676 -19.636 372 HG13 ILE 49 HG13 ILE 49 7.517 8.966 -20.996 373 HG21 ILE 49 HG21 ILE 49 9.314 10.444 -22.247 374 HG22 ILE 49 HG22 ILE 49 10.134 10.749 -20.707 375 HG23 ILE 49 HG23 ILE 49 11.043 10.012 -22.040 376 HD11 ILE 49 HD11 ILE 49 8.797 7.490 -18.672 377 HD12 ILE 49 HD12 ILE 49 7.066 7.712 -18.978 378 HD13 ILE 49 HD13 ILE 49 8.024 6.694 -20.077 379 H LYS 50 H LYS 50 12.095 7.410 -22.092 380 HA LYS 50 HA LYS 50 12.914 8.932 -24.320 381 HB2 LYS 50 HB2 LYS 50 14.010 7.366 -22.165 382 HB3 LYS 50 HB3 LYS 50 14.764 6.872 -23.690 383 HG2 LYS 50 HG2 LYS 50 16.036 8.719 -22.794 384 HG3 LYS 50 HG3 LYS 50 15.148 9.296 -24.218 385 HD2 LYS 50 HD2 LYS 50 14.883 10.981 -22.556 386 HD3 LYS 50 HD3 LYS 50 13.334 10.133 -22.565 387 HE2 LYS 50 HE2 LYS 50 13.806 9.037 -20.520 388 HE3 LYS 50 HE3 LYS 50 15.554 9.233 -20.734 389 HZ1 LYS 50 HZ1 LYS 50 15.322 11.566 -20.344 390 HZ2 LYS 50 HZ2 LYS 50 13.689 11.449 -20.195 391 HZ3 LYS 50 HZ3 LYS 50 14.676 10.741 -19.082 392 H LEU 51 H LEU 51 11.262 5.925 -24.278 393 HA LEU 51 HA LEU 51 12.271 5.159 -26.969 394 HB2 LEU 51 HB2 LEU 51 10.721 3.735 -24.791 395 HB3 LEU 51 HB3 LEU 51 10.925 3.078 -26.415 396 HG LEU 51 HG LEU 51 13.273 3.805 -24.607 397 HD11 LEU 51 HD11 LEU 51 11.976 1.102 -25.156 398 HD12 LEU 51 HD12 LEU 51 13.464 1.376 -24.218 399 HD13 LEU 51 HD13 LEU 51 11.911 1.990 -23.618 400 HD21 LEU 51 HD21 LEU 51 13.829 3.760 -26.997 401 HD22 LEU 51 HD22 LEU 51 14.530 2.366 -26.152 402 HD23 LEU 51 HD23 LEU 51 13.077 2.148 -27.153 403 H GLY 52 H GLY 52 9.831 6.807 -25.252 404 HA2 GLY 52 HA2 GLY 52 7.919 7.814 -25.807 405 HA3 GLY 52 HA3 GLY 52 8.209 7.458 -27.506 406 H GLU 53 H GLU 53 8.300 4.781 -25.356 407 HA GLU 53 HA GLU 53 5.667 3.730 -26.165 408 HB2 GLU 53 HB2 GLU 53 8.009 2.638 -24.515 409 HB3 GLU 53 HB3 GLU 53 6.577 1.678 -24.975 410 HG2 GLU 53 HG2 GLU 53 8.408 3.034 -27.005 411 HG3 GLU 53 HG3 GLU 53 8.695 1.406 -26.412 412 H TYR 54 H TYR 54 5.518 5.997 -24.963 413 HA TYR 54 HA TYR 54 5.101 6.280 -22.288 414 HB2 TYR 54 HB2 TYR 54 3.305 7.052 -24.594 415 HB3 TYR 54 HB3 TYR 54 3.225 7.789 -23.109 416 HD1 TYR 54 HD2 TYR 54 6.224 8.209 -22.524 417 HD2 TYR 54 HD1 TYR 54 3.996 8.596 -26.175 418 HE1 TYR 54 HE2 TYR 54 7.940 9.766 -23.415 419 HE2 TYR 54 HE1 TYR 54 5.758 10.073 -27.106 420 HH TYR 54 HH TYR 54 7.709 11.187 -26.691 421 H THR 55 H THR 55 2.992 4.521 -24.662 422 HA THR 55 HA THR 55 0.672 4.370 -23.084 423 HB THR 55 HB THR 55 1.593 1.988 -24.683 424 HG1 THR 55 HG1 THR 55 0.893 3.081 -26.546 425 HG21 THR 55 HG21 THR 55 -0.591 2.016 -23.508 426 HG22 THR 55 HG22 THR 55 -1.017 3.517 -24.370 427 HG23 THR 55 HG23 THR 55 -0.809 1.984 -25.273 428 H GLN 56 H GLN 56 3.625 2.442 -23.081 429 HA GLN 56 HA GLN 56 2.660 0.565 -21.056 430 HB2 GLN 56 HB2 GLN 56 5.442 1.062 -22.205 431 HB3 GLN 56 HB3 GLN 56 4.917 -0.375 -21.304 432 HG2 GLN 56 HG2 GLN 56 3.979 0.584 -24.052 433 HG3 GLN 56 HG3 GLN 56 4.968 -0.829 -23.718 434 HE21 GLN 56 HE22 GLN 56 1.763 0.569 -23.621 435 HE22 GLN 56 HE21 GLN 56 0.876 -0.919 -23.302 436 H ALA 57 H ALA 57 4.852 3.350 -21.298 437 HA ALA 57 HA ALA 57 5.988 3.341 -18.752 438 HB1 ALA 57 HB1 ALA 57 6.564 4.838 -20.689 439 HB2 ALA 57 HB2 ALA 57 5.046 5.710 -20.436 440 HB3 ALA 57 HB3 ALA 57 6.292 5.751 -19.168 441 H ILE 58 H ILE 58 2.824 4.649 -19.791 442 HA ILE 58 HA ILE 58 2.146 5.990 -17.378 443 HB ILE 58 HB ILE 58 0.436 4.606 -19.472 444 HG12 ILE 58 HG12 ILE 58 0.873 7.590 -19.286 445 HG13 ILE 58 HG13 ILE 58 2.120 6.593 -20.034 446 HG21 ILE 58 HG21 ILE 58 -1.351 6.191 -18.793 447 HG22 ILE 58 HG22 ILE 58 -0.930 5.077 -17.474 448 HG23 ILE 58 HG23 ILE 58 -0.322 6.752 -17.454 449 HD11 ILE 58 HD11 ILE 58 0.373 5.566 -21.522 450 HD12 ILE 58 HD12 ILE 58 -0.813 6.717 -20.875 451 HD13 ILE 58 HD13 ILE 58 0.611 7.307 -21.769 452 H GLN 59 H GLN 59 1.851 2.549 -18.420 453 HA GLN 59 HA GLN 59 0.249 1.723 -16.195 454 HB2 GLN 59 HB2 GLN 59 2.142 0.157 -17.979 455 HB3 GLN 59 HB3 GLN 59 0.852 -0.476 -16.934 456 HG2 GLN 59 HG2 GLN 59 0.626 1.154 -19.480 457 HG3 GLN 59 HG3 GLN 59 -0.025 -0.463 -19.134 458 HE21 GLN 59 HE22 GLN 59 -0.896 2.652 -19.592 459 HE22 GLN 59 HE21 GLN 59 -2.313 2.747 -18.549 460 H MET 60 H MET 60 3.743 1.975 -16.845 461 HA MET 60 HA MET 60 4.618 0.471 -14.524 462 HB2 MET 60 HB2 MET 60 6.041 2.682 -16.054 463 HB3 MET 60 HB3 MET 60 6.773 1.544 -14.917 464 HG2 MET 60 HG2 MET 60 5.597 0.909 -17.640 465 HG3 MET 60 HG3 MET 60 7.297 0.917 -17.169 466 HE1 MET 60 HE1 MET 60 3.828 -0.823 -16.151 467 HE2 MET 60 HE2 MET 60 4.286 -0.956 -17.865 468 HE3 MET 60 HE3 MET 60 4.249 -2.413 -16.829 469 H CYS 61 H CYS 61 4.124 3.991 -15.133 470 HA CYS 61 HA CYS 61 5.327 4.829 -12.689 471 HB2 CYS 61 HB2 CYS 61 3.306 6.202 -14.477 472 HB3 CYS 61 HB3 CYS 61 4.236 6.962 -13.159 473 HG CYS 61 HG CYS 61 5.367 5.351 -15.808 474 H GLN 62 H GLN 62 1.785 4.522 -13.561 475 HA GLN 62 HA GLN 62 0.890 5.034 -10.939 476 HB2 GLN 62 HB2 GLN 62 -1.226 4.053 -11.685 477 HB3 GLN 62 HB3 GLN 62 -0.548 5.217 -12.843 478 HG2 GLN 62 HG2 GLN 62 -0.825 3.666 -14.426 479 HG3 GLN 62 HG3 GLN 62 0.509 2.770 -13.680 480 HE21 GLN 62 HE22 GLN 62 -0.749 1.918 -11.256 481 HE22 GLN 62 HE21 GLN 62 -1.991 0.768 -11.692 482 H GLN 63 H GLN 63 2.083 1.914 -12.282 483 HA GLN 63 HA GLN 63 1.155 0.289 -10.060 484 HB2 GLN 63 HB2 GLN 63 2.812 0.059 -12.480 485 HB3 GLN 63 HB3 GLN 63 3.556 -0.741 -11.100 486 HG2 GLN 63 HG2 GLN 63 2.120 -2.231 -12.443 487 HG3 GLN 63 HG3 GLN 63 1.639 -2.133 -10.732 488 HE21 GLN 63 HE22 GLN 63 0.896 -0.681 -13.966 489 HE22 GLN 63 HE21 GLN 63 -0.824 -0.544 -13.670 490 H GLY 64 H GLY 64 4.267 2.080 -10.694 491 HA2 GLY 64 HA2 GLY 64 5.698 1.174 -8.511 492 HA3 GLY 64 HA3 GLY 64 5.762 2.822 -9.140 493 H LEU 65 H LEU 65 2.904 3.402 -8.466 494 HA LEU 65 HA LEU 65 3.342 4.388 -5.812 495 HB2 LEU 65 HB2 LEU 65 0.854 4.263 -7.565 496 HB3 LEU 65 HB3 LEU 65 0.980 5.209 -6.062 497 HG LEU 65 HG LEU 65 2.943 5.516 -8.358 498 HD11 LEU 65 HD11 LEU 65 1.671 7.321 -9.222 499 HD12 LEU 65 HD12 LEU 65 0.531 5.989 -9.012 500 HD13 LEU 65 HD13 LEU 65 0.562 7.309 -7.816 501 HD21 LEU 65 HD21 LEU 65 3.780 7.326 -7.175 502 HD22 LEU 65 HD22 LEU 65 2.223 7.681 -6.395 503 HD23 LEU 65 HD23 LEU 65 3.238 6.337 -5.820 504 H ARG 66 H ARG 66 2.467 1.293 -6.779 505 HA ARG 66 HA ARG 66 0.642 0.648 -4.577 506 HB2 ARG 66 HB2 ARG 66 2.133 -0.870 -6.774 507 HB3 ARG 66 HB3 ARG 66 0.969 -1.638 -5.739 508 HG2 ARG 66 HG2 ARG 66 -0.769 0.014 -6.512 509 HG3 ARG 66 HG3 ARG 66 0.429 0.714 -7.617 510 HD2 ARG 66 HD2 ARG 66 -0.862 -0.839 -8.871 511 HD3 ARG 66 HD3 ARG 66 0.772 -1.518 -8.643 512 HE ARG 66 HE ARG 66 -0.639 -2.601 -6.554 513 HH11 ARG 66 HH11 ARG 66 -1.201 -2.511 -10.047 514 HH12 ARG 66 HH12 ARG 66 -2.051 -4.040 -10.055 515 HH21 ARG 66 HH21 ARG 66 -1.743 -4.592 -6.609 516 HH22 ARG 66 HH22 ARG 66 -2.368 -5.204 -8.120 517 H TYR 67 H TYR 67 3.892 1.013 -5.309 518 HA TYR 67 HA TYR 67 4.902 -0.681 -3.084 519 HB2 TYR 67 HB2 TYR 67 6.151 0.150 -5.718 520 HB3 TYR 67 HB3 TYR 67 6.855 -0.992 -4.588 521 HD1 TYR 67 HD1 TYR 67 5.229 -3.110 -4.059 522 HD2 TYR 67 HD2 TYR 67 4.767 -0.463 -7.400 523 HE1 TYR 67 HE1 TYR 67 3.913 -4.836 -5.227 524 HE2 TYR 67 HE2 TYR 67 3.373 -2.095 -8.552 525 HH TYR 67 HH TYR 67 2.671 -5.348 -7.107 526 H THR 68 H THR 68 4.134 2.328 -3.051 527 HA THR 68 HA THR 68 6.805 3.297 -2.124 528 HB THR 68 HB THR 68 6.034 5.592 -2.790 529 HG1 THR 68 HG1 THR 68 3.824 5.091 -2.982 530 HG21 THR 68 HG21 THR 68 7.642 4.504 -4.188 531 HG22 THR 68 HG22 THR 68 6.395 3.494 -4.950 532 HG23 THR 68 HG23 THR 68 6.423 5.253 -5.243 533 H SER 69 H SER 69 4.510 1.953 -0.732 534 HA SER 69 HA SER 69 3.091 3.827 0.878 535 HB2 SER 69 HB2 SER 69 3.888 0.915 1.293 536 HB3 SER 69 HB3 SER 69 2.754 1.811 2.321 537 HG SER 69 HG SER 69 1.680 0.649 0.665 538 H THR 70 H THR 70 6.325 3.644 0.805 539 HA THR 70 HA THR 70 6.638 4.257 3.698 540 HB THR 70 HB THR 70 7.258 1.940 3.510 541 HG1 THR 70 HG1 THR 70 9.433 2.136 4.105 542 HG21 THR 70 HG21 THR 70 7.611 1.718 1.120 543 HG22 THR 70 HG22 THR 70 9.000 2.831 1.172 544 HG23 THR 70 HG23 THR 70 9.100 1.236 1.953 545 H ALA 71 H ALA 71 8.599 5.435 4.205 546 HA ALA 71 HA ALA 71 8.914 7.587 2.298 547 HB1 ALA 71 HB1 ALA 71 10.171 8.653 4.103 548 HB2 ALA 71 HB2 ALA 71 8.655 7.966 4.714 549 HB3 ALA 71 HB3 ALA 71 10.193 7.121 5.012 550 H GLU 72 H GLU 72 10.697 4.618 2.640 551 HA GLU 72 HA GLU 72 13.212 5.753 1.713 552 HB2 GLU 72 HB2 GLU 72 13.741 3.392 1.187 553 HB3 GLU 72 HB3 GLU 72 13.194 3.609 2.860 554 HG2 GLU 72 HG2 GLU 72 10.891 2.909 2.121 555 HG3 GLU 72 HG3 GLU 72 11.558 2.543 0.529 556 H HIS 73 H HIS 73 10.137 5.214 0.342 557 HA HIS 73 HA HIS 73 11.275 5.030 -2.405 558 HB2 HIS 73 HB2 HIS 73 8.802 3.787 -1.172 559 HB3 HIS 73 HB3 HIS 73 9.056 3.908 -2.921 560 HD2 HIS 73 HD2 HIS 73 12.406 3.279 -1.887 561 HE1 HIS 73 HE1 HIS 73 10.780 -0.643 -2.104 562 HE2 HIS 73 HE2 HIS 73 12.936 0.709 -1.998 563 H VAL 74 H VAL 74 10.003 7.241 -0.370 564 HA VAL 74 HA VAL 74 7.911 8.478 -1.831 565 HB VAL 74 HB VAL 74 8.570 9.066 0.461 566 HG11 VAL 74 HG11 VAL 74 10.994 10.447 -0.761 567 HG12 VAL 74 HG12 VAL 74 10.544 10.374 0.954 568 HG13 VAL 74 HG13 VAL 74 11.062 8.895 0.108 569 HG21 VAL 74 HG21 VAL 74 8.412 11.510 0.214 570 HG22 VAL 74 HG22 VAL 74 8.956 11.380 -1.476 571 HG23 VAL 74 HG23 VAL 74 7.371 10.714 -0.994 572 H ALA 75 H ALA 75 11.353 8.356 -2.272 573 HA ALA 75 HA ALA 75 11.921 10.531 -3.967 574 HB1 ALA 75 HB1 ALA 75 13.538 8.865 -2.982 575 HB2 ALA 75 HB2 ALA 75 12.909 7.647 -4.134 576 HB3 ALA 75 HB3 ALA 75 13.756 9.076 -4.749 577 H ILE 76 H ILE 76 10.665 7.317 -4.587 578 HA ILE 76 HA ILE 76 10.694 7.481 -7.483 579 HB ILE 76 HB ILE 76 9.745 5.538 -5.348 580 HG12 ILE 76 HG12 ILE 76 12.279 6.165 -5.930 581 HG13 ILE 76 HG13 ILE 76 11.773 4.592 -5.508 582 HG21 ILE 76 HG21 ILE 76 9.505 5.510 -8.328 583 HG22 ILE 76 HG22 ILE 76 9.802 3.982 -7.445 584 HG23 ILE 76 HG23 ILE 76 8.359 4.963 -7.074 585 HD11 ILE 76 HD11 ILE 76 13.262 4.802 -7.589 586 HD12 ILE 76 HD12 ILE 76 11.685 4.116 -8.043 587 HD13 ILE 76 HD13 ILE 76 12.004 5.851 -8.315 588 H ARG 77 H ARG 77 8.372 7.575 -4.796 589 HA ARG 77 HA ARG 77 5.925 7.502 -6.204 590 HB2 ARG 77 HB2 ARG 77 6.383 7.444 -3.708 591 HB3 ARG 77 HB3 ARG 77 6.625 9.198 -3.798 592 HG2 ARG 77 HG2 ARG 77 4.262 9.222 -4.954 593 HG3 ARG 77 HG3 ARG 77 4.083 7.597 -4.252 594 HD2 ARG 77 HD2 ARG 77 5.050 10.007 -2.716 595 HD3 ARG 77 HD3 ARG 77 3.322 9.542 -2.767 596 HE ARG 77 HE ARG 77 4.655 7.248 -1.955 597 HH11 ARG 77 HH11 ARG 77 4.445 10.563 -0.737 598 HH12 ARG 77 HH12 ARG 77 4.735 10.090 0.920 599 HH21 ARG 77 HH21 ARG 77 5.042 6.677 0.214 600 HH22 ARG 77 HH22 ARG 77 5.051 7.904 1.461 601 H SER 78 H SER 78 8.334 9.959 -5.864 602 HA SER 78 HA SER 78 6.768 12.219 -6.836 603 HB2 SER 78 HB2 SER 78 8.871 12.258 -5.332 604 HB3 SER 78 HB3 SER 78 9.783 11.756 -6.750 605 HG SER 78 HG SER 78 9.769 14.034 -6.468 606 H LYS 79 H LYS 79 8.677 9.623 -8.307 607 HA LYS 79 HA LYS 79 8.897 11.026 -10.881 608 HB2 LYS 79 HB2 LYS 79 9.657 8.211 -9.962 609 HB3 LYS 79 HB3 LYS 79 10.067 8.938 -11.530 610 HG2 LYS 79 HG2 LYS 79 11.309 10.740 -10.369 611 HG3 LYS 79 HG3 LYS 79 10.912 10.015 -8.798 612 HD2 LYS 79 HD2 LYS 79 12.115 7.954 -9.409 613 HD3 LYS 79 HD3 LYS 79 12.499 8.641 -11.006 614 HE2 LYS 79 HE2 LYS 79 13.597 10.567 -9.861 615 HE3 LYS 79 HE3 LYS 79 13.337 9.768 -8.302 616 HZ1 LYS 79 HZ1 LYS 79 14.674 7.945 -9.078 617 HZ2 LYS 79 HZ2 LYS 79 14.899 8.676 -10.543 618 HZ3 LYS 79 HZ3 LYS 79 15.529 9.341 -9.180 619 H LEU 80 H LEU 80 7.086 8.364 -9.377 620 HA LEU 80 HA LEU 80 5.822 7.325 -11.710 621 HB2 LEU 80 HB2 LEU 80 5.223 7.428 -8.751 622 HB3 LEU 80 HB3 LEU 80 4.124 6.620 -9.854 623 HG LEU 80 HG LEU 80 5.493 4.807 -10.147 624 HD11 LEU 80 HD11 LEU 80 8.031 6.364 -9.775 625 HD12 LEU 80 HD12 LEU 80 7.805 4.643 -10.216 626 HD13 LEU 80 HD13 LEU 80 7.280 5.898 -11.332 627 HD21 LEU 80 HD21 LEU 80 5.124 5.114 -7.727 628 HD22 LEU 80 HD22 LEU 80 6.666 4.282 -8.062 629 HD23 LEU 80 HD23 LEU 80 6.650 6.006 -7.614 630 H GLN 81 H GLN 81 5.437 10.373 -10.246 631 HA GLN 81 HA GLN 81 2.724 10.824 -11.298 632 HB2 GLN 81 HB2 GLN 81 4.641 11.675 -9.179 633 HB3 GLN 81 HB3 GLN 81 3.692 13.016 -9.799 634 HG2 GLN 81 HG2 GLN 81 2.923 11.727 -7.751 635 HG3 GLN 81 HG3 GLN 81 1.701 12.089 -9.045 636 HE21 GLN 81 HE22 GLN 81 3.950 9.550 -7.925 637 HE22 GLN 81 HE21 GLN 81 2.914 8.211 -8.389 638 H TYR 82 H TYR 82 6.021 11.325 -12.123 639 HA TYR 82 HA TYR 82 5.408 13.892 -13.525 640 HB2 TYR 82 HB2 TYR 82 7.425 14.063 -12.366 641 HB3 TYR 82 HB3 TYR 82 7.920 12.418 -12.768 642 HD1 TYR 82 HD1 TYR 82 7.518 15.835 -14.225 643 HD2 TYR 82 HD2 TYR 82 9.025 11.856 -14.768 644 HE1 TYR 82 HE1 TYR 82 8.946 16.634 -16.095 645 HE2 TYR 82 HE2 TYR 82 10.548 12.655 -16.561 646 HH TYR 82 HH TYR 82 10.537 16.079 -17.648 647 H ARG 83 H ARG 83 6.942 10.670 -14.324 648 HA ARG 83 HA ARG 83 6.736 11.302 -17.163 649 HB2 ARG 83 HB2 ARG 83 6.926 8.501 -16.116 650 HB3 ARG 83 HB3 ARG 83 7.491 9.188 -17.647 651 HG2 ARG 83 HG2 ARG 83 9.421 8.711 -16.478 652 HG3 ARG 83 HG3 ARG 83 9.235 10.450 -16.221 653 HD2 ARG 83 HD2 ARG 83 8.383 10.050 -13.962 654 HD3 ARG 83 HD3 ARG 83 8.194 8.316 -14.290 655 HE ARG 83 HE ARG 83 10.759 9.807 -13.896 656 HH11 ARG 83 HH11 ARG 83 9.011 6.756 -14.187 657 HH12 ARG 83 HH12 ARG 83 10.399 5.786 -13.746 658 HH21 ARG 83 HH21 ARG 83 12.554 8.509 -13.278 659 HH22 ARG 83 HH22 ARG 83 12.364 6.775 -13.191 660 H LEU 84 H LEU 84 4.666 10.165 -14.711 661 HA LEU 84 HA LEU 84 2.713 8.816 -16.339 662 HB2 LEU 84 HB2 LEU 84 3.048 8.432 -13.924 663 HB3 LEU 84 HB3 LEU 84 2.714 10.072 -13.557 664 HG LEU 84 HG LEU 84 0.368 9.841 -14.352 665 HD11 LEU 84 HD11 LEU 84 -0.498 7.601 -14.992 666 HD12 LEU 84 HD12 LEU 84 0.754 8.138 -16.123 667 HD13 LEU 84 HD13 LEU 84 1.146 6.935 -14.886 668 HD21 LEU 84 HD21 LEU 84 1.038 9.346 -12.007 669 HD22 LEU 84 HD22 LEU 84 -0.399 8.433 -12.536 670 HD23 LEU 84 HD23 LEU 84 1.195 7.634 -12.441 671 H GLU 85 H GLU 85 3.618 12.070 -15.827 672 HA GLU 85 HA GLU 85 1.041 13.052 -16.954 673 HB2 GLU 85 HB2 GLU 85 3.066 14.419 -15.148 674 HB3 GLU 85 HB3 GLU 85 1.633 15.206 -15.877 675 HG2 GLU 85 HG2 GLU 85 0.259 13.330 -14.863 676 HG3 GLU 85 HG3 GLU 85 1.676 12.846 -13.953 677 H LEU 86 H LEU 86 3.903 12.100 -18.109 678 HA LEU 86 HA LEU 86 3.810 14.282 -20.139 679 HB2 LEU 86 HB2 LEU 86 6.111 14.329 -20.312 680 HB3 LEU 86 HB3 LEU 86 5.867 14.078 -18.574 681 HG LEU 86 HG LEU 86 6.087 11.513 -19.253 682 HD11 LEU 86 HD11 LEU 86 7.687 12.963 -21.421 683 HD12 LEU 86 HD12 LEU 86 7.689 11.213 -21.111 684 HD13 LEU 86 HD13 LEU 86 6.237 11.991 -21.741 685 HD21 LEU 86 HD21 LEU 86 8.614 13.181 -19.262 686 HD22 LEU 86 HD22 LEU 86 7.625 12.954 -17.799 687 HD23 LEU 86 HD23 LEU 86 8.335 11.547 -18.587 688 H ALA 87 H ALA 87 4.267 10.774 -19.505 689 HA ALA 87 HA ALA 87 4.611 9.914 -22.114 690 HB1 ALA 87 HB1 ALA 87 3.339 8.617 -19.658 691 HB2 ALA 87 HB2 ALA 87 3.857 7.723 -21.104 692 HB3 ALA 87 HB3 ALA 87 5.054 8.581 -20.111 693 H GLN 88 H GLN 88 1.586 9.821 -20.100 694 HA GLN 88 HA GLN 88 -0.211 9.071 -22.145 695 HB2 GLN 88 HB2 GLN 88 -1.929 10.004 -20.641 696 HB3 GLN 88 HB3 GLN 88 -0.849 8.738 -19.993 697 HG2 GLN 88 HG2 GLN 88 0.464 10.379 -18.800 698 HG3 GLN 88 HG3 GLN 88 -0.422 11.703 -19.594 699 HE21 GLN 88 HE22 GLN 88 -0.828 8.816 -17.465 700 HE22 GLN 88 HE21 GLN 88 -2.178 9.428 -16.546 701 H GLY 89 H GLY 89 1.293 12.122 -21.518 702 HA2 GLY 89 HA2 GLY 89 -0.721 13.640 -23.076 703 HA3 GLY 89 HA3 GLY 89 0.656 14.300 -22.159 704 H ALA 90 H ALA 90 1.536 11.530 -23.921 705 HA ALA 90 HA ALA 90 2.478 13.072 -26.287 706 HB1 ALA 90 HB1 ALA 90 4.087 11.248 -24.494 707 HB2 ALA 90 HB2 ALA 90 4.702 12.082 -25.946 708 HB3 ALA 90 HB3 ALA 90 4.234 13.037 -24.507 709 H VAL 91 H VAL 91 1.323 10.086 -24.838 710 HA VAL 91 HA VAL 91 2.365 8.037 -26.442 711 HB VAL 91 HB VAL 91 -0.485 8.371 -25.895 712 HG11 VAL 91 HG11 VAL 91 0.399 6.322 -27.085 713 HG12 VAL 91 HG12 VAL 91 1.448 6.014 -25.655 714 HG13 VAL 91 HG13 VAL 91 -0.321 5.876 -25.514 715 HG21 VAL 91 HG21 VAL 91 0.400 9.064 -23.906 716 HG22 VAL 91 HG22 VAL 91 -0.372 7.479 -23.714 717 HG23 VAL 91 HG23 VAL 91 1.416 7.572 -23.736 718 H GLY 92 H GLY 92 -0.456 10.007 -27.097 719 HA2 GLY 92 HA2 GLY 92 -0.828 8.940 -29.792 720 HA3 GLY 92 HA3 GLY 92 -1.880 10.089 -28.937 721 H SER 93 H SER 93 1.584 10.711 -29.137 722 HA SER 93 HA SER 93 1.102 12.767 -31.231 723 HB2 SER 93 HB2 SER 93 2.731 13.090 -28.682 724 HB3 SER 93 HB3 SER 93 2.523 14.314 -29.957 725 HG SER 93 HG SER 93 1.064 14.639 -28.225 726 H VAL 94 H VAL 94 2.295 10.014 -31.117 727 HA VAL 94 HA VAL 94 4.773 10.699 -32.613 728 HB VAL 94 HB VAL 94 4.560 8.426 -30.599 729 HG11 VAL 94 HG11 VAL 94 6.844 9.390 -32.389 730 HG12 VAL 94 HG12 VAL 94 6.963 8.119 -31.153 731 HG13 VAL 94 HG13 VAL 94 5.939 7.872 -32.580 732 HG21 VAL 94 HG21 VAL 94 4.811 10.615 -29.494 733 HG22 VAL 94 HG22 VAL 94 6.336 9.704 -29.409 734 HG23 VAL 94 HG23 VAL 94 6.152 11.028 -30.584 735 H GLN 95 H GLN 95 4.000 10.356 -34.558 736 HA GLN 95 HA GLN 95 3.022 7.667 -35.290 737 HB2 GLN 95 HB2 GLN 95 1.064 8.644 -36.446 738 HB3 GLN 95 HB3 GLN 95 1.024 8.939 -34.699 739 HG2 GLN 95 HG2 GLN 95 2.170 11.220 -35.265 740 HG3 GLN 95 HG3 GLN 95 1.625 10.912 -36.919 741 HE21 GLN 95 HE22 GLN 95 0.657 11.519 -33.559 742 HE22 GLN 95 HE21 GLN 95 -1.008 11.932 -33.910 743 H ILE 96 H ILE 96 5.274 9.861 -35.717 744 HA ILE 96 HA ILE 96 5.699 9.142 -38.517 745 HB ILE 96 HB ILE 96 4.453 11.253 -38.542 746 HG12 ILE 96 HG12 ILE 96 5.857 12.563 -40.007 747 HG13 ILE 96 HG13 ILE 96 7.315 11.743 -39.444 748 HG21 ILE 96 HG21 ILE 96 6.816 12.469 -37.051 749 HG22 ILE 96 HG22 ILE 96 5.419 13.343 -37.714 750 HG23 ILE 96 HG23 ILE 96 5.191 12.188 -36.387 751 HD11 ILE 96 HD11 ILE 96 6.495 9.605 -40.380 752 HD12 ILE 96 HD12 ILE 96 4.975 10.400 -40.859 753 HD13 ILE 96 HD13 ILE 96 6.513 10.872 -41.623 754 HA PRO 97 HA PRO 97 9.485 9.402 -35.638 755 HB2 PRO 97 HB2 PRO 97 9.849 6.829 -34.863 756 HB3 PRO 97 HB3 PRO 97 8.694 7.902 -34.014 757 HG2 PRO 97 HG2 PRO 97 8.087 5.898 -36.213 758 HG3 PRO 97 HG3 PRO 97 7.283 6.053 -34.614 759 HD2 PRO 97 HD2 PRO 97 6.246 7.213 -36.848 760 HD3 PRO 97 HD3 PRO 97 6.178 8.021 -35.248 761 H VAL 98 H VAL 98 11.564 7.858 -36.028 762 HA VAL 98 HA VAL 98 12.006 7.781 -38.852 763 HB VAL 98 HB VAL 98 13.770 8.266 -37.259 764 HG11 VAL 98 HG11 VAL 98 13.850 5.322 -36.500 765 HG12 VAL 98 HG12 VAL 98 14.839 6.643 -35.877 766 HG13 VAL 98 HG13 VAL 98 13.111 6.594 -35.478 767 HG21 VAL 98 HG21 VAL 98 14.304 7.416 -39.499 768 HG22 VAL 98 HG22 VAL 98 15.521 6.920 -38.300 769 HG23 VAL 98 HG23 VAL 98 14.311 5.750 -38.873 770 H VAL 99 H VAL 99 10.322 6.484 -39.731 771 HA VAL 99 HA VAL 99 10.106 3.693 -39.082 772 HB VAL 99 HB VAL 99 9.295 5.104 -41.655 773 HG11 VAL 99 HG11 VAL 99 9.443 2.617 -41.787 774 HG12 VAL 99 HG12 VAL 99 8.454 2.483 -40.325 775 HG13 VAL 99 HG13 VAL 99 7.746 3.150 -41.816 776 HG21 VAL 99 HG21 VAL 99 7.740 4.547 -39.091 777 HG22 VAL 99 HG22 VAL 99 8.203 6.148 -39.709 778 HG23 VAL 99 HG23 VAL 99 7.038 5.158 -40.611 779 H GLU 100 H GLU 100 12.336 3.101 -38.979 780 HA GLU 100 HA GLU 100 14.027 3.126 -41.308 781 HB2 GLU 100 HB2 GLU 100 15.010 3.318 -39.145 782 HB3 GLU 100 HB3 GLU 100 14.098 1.934 -38.507 783 HG2 GLU 100 HG2 GLU 100 15.323 0.356 -39.757 784 HG3 GLU 100 HG3 GLU 100 15.976 1.665 -40.767 785 H VAL 101 H VAL 101 14.589 1.417 -42.594 786 HA VAL 101 HA VAL 101 13.226 -1.199 -42.246 787 HB VAL 101 HB VAL 101 13.309 0.358 -44.850 788 HG11 VAL 101 HG11 VAL 101 11.979 -2.279 -44.082 789 HG12 VAL 101 HG12 VAL 101 11.818 -1.454 -45.651 790 HG13 VAL 101 HG13 VAL 101 13.393 -2.092 -45.137 791 HG21 VAL 101 HG21 VAL 101 11.685 1.383 -43.338 792 HG22 VAL 101 HG22 VAL 101 10.839 0.493 -44.619 793 HG23 VAL 101 HG23 VAL 101 10.963 -0.215 -42.991 794 H ASP 102 H ASP 102 14.566 -2.875 -42.712 795 HA ASP 102 HA ASP 102 16.930 -2.498 -44.380 796 HB2 ASP 102 HB2 ASP 102 17.591 -1.624 -42.126 797 HB3 ASP 102 HB3 ASP 102 17.165 -3.178 -41.410 798 H GLU 103 H GLU 103 14.464 -4.007 -44.297 799 HA GLU 103 HA GLU 103 13.523 -6.086 -44.296 800 HB2 GLU 103 HB2 GLU 103 14.301 -7.458 -46.031 801 HB3 GLU 103 HB3 GLU 103 14.478 -5.784 -46.523 802 HG2 GLU 103 HG2 GLU 103 16.820 -7.320 -45.333 803 HG3 GLU 103 HG3 GLU 103 16.344 -7.555 -47.006 804 H LEU 104 H LEU 104 14.723 -8.614 -44.726 805 HA LEU 104 HA LEU 104 14.659 -9.640 -42.144 806 HB2 LEU 104 HB2 LEU 104 15.866 -10.694 -44.716 807 HB3 LEU 104 HB3 LEU 104 15.689 -11.696 -43.255 808 HG LEU 104 HG LEU 104 13.212 -10.343 -44.158 809 HD11 LEU 104 HD11 LEU 104 14.104 -11.327 -46.268 810 HD12 LEU 104 HD12 LEU 104 14.431 -12.858 -45.412 811 HD13 LEU 104 HD13 LEU 104 12.758 -12.301 -45.632 812 HD21 LEU 104 HD21 LEU 104 13.584 -11.691 -42.053 813 HD22 LEU 104 HD22 LEU 104 12.469 -12.572 -43.151 814 HD23 LEU 104 HD23 LEU 104 14.207 -12.997 -43.049 815 HA PRO 105 HA PRO 105 18.697 -9.878 -40.265 816 HB2 PRO 105 HB2 PRO 105 18.167 -12.849 -40.590 817 HB3 PRO 105 HB3 PRO 105 18.809 -11.999 -39.152 818 HG2 PRO 105 HG2 PRO 105 16.231 -12.652 -39.153 819 HG3 PRO 105 HG3 PRO 105 16.650 -10.940 -38.767 820 HD2 PRO 105 HD2 PRO 105 15.872 -12.119 -41.447 821 HD3 PRO 105 HD3 PRO 105 15.123 -10.707 -40.667 822 H GLU 106 H GLU 106 20.895 -10.732 -40.626 823 HA GLU 106 HA GLU 106 21.558 -10.641 -43.428 824 HB2 GLU 106 HB2 GLU 106 23.838 -10.549 -42.674 825 HB3 GLU 106 HB3 GLU 106 22.869 -9.544 -41.596 826 HG2 GLU 106 HG2 GLU 106 23.854 -12.376 -41.031 827 HG3 GLU 106 HG3 GLU 106 24.541 -10.891 -40.369 828 H GLY 107 H GLY 107 20.179 -13.144 -42.130 829 HA2 GLY 107 HA2 GLY 107 21.385 -15.092 -43.826 830 HA3 GLY 107 HA3 GLY 107 22.008 -15.304 -42.182 831 H TYR 108 H TYR 108 18.618 -14.316 -43.170 832 HA TYR 108 HA TYR 108 17.334 -15.935 -41.353 833 HB2 TYR 108 HB2 TYR 108 16.708 -13.931 -42.860 834 HB3 TYR 108 HB3 TYR 108 16.357 -15.122 -44.106 835 HD1 TYR 108 HD1 TYR 108 15.539 -13.894 -40.750 836 HD2 TYR 108 HD2 TYR 108 14.276 -16.457 -43.956 837 HE1 TYR 108 HE1 TYR 108 13.249 -13.708 -39.948 838 HE2 TYR 108 HE2 TYR 108 11.988 -16.531 -42.991 839 HH TYR 108 HH TYR 108 11.067 -14.563 -40.126 840 H ASP 109 H ASP 109 15.711 -17.608 -41.927 841 HA ASP 109 HA ASP 109 16.246 -19.253 -44.281 842 HB2 ASP 109 HB2 ASP 109 17.780 -20.187 -42.569 843 HB3 ASP 109 HB3 ASP 109 16.421 -20.363 -41.443 844 H ARG 110 H ARG 110 14.467 -20.794 -44.645 845 HA ARG 110 HA ARG 110 12.011 -20.272 -43.087 846 HB2 ARG 110 HB2 ARG 110 10.780 -19.797 -45.261 847 HB3 ARG 110 HB3 ARG 110 11.824 -18.532 -44.628 848 HG2 ARG 110 HG2 ARG 110 12.061 -18.678 -47.033 849 HG3 ARG 110 HG3 ARG 110 13.576 -19.077 -46.230 850 HD2 ARG 110 HD2 ARG 110 13.169 -20.583 -48.115 851 HD3 ARG 110 HD3 ARG 110 13.161 -21.479 -46.593 852 HE ARG 110 HE ARG 110 10.501 -20.604 -47.384 853 HH11 ARG 110 HH11 ARG 110 12.949 -23.099 -47.902 854 HH12 ARG 110 HH12 ARG 110 11.793 -24.278 -48.475 855 HH21 ARG 110 HH21 ARG 110 9.011 -22.167 -48.130 856 HH22 ARG 110 HH22 ARG 110 9.572 -23.760 -48.578 857 H SER 111 H SER 111 14.024 -22.515 -44.439 858 HA SER 111 HA SER 111 12.216 -24.352 -45.679 859 HB2 SER 111 HB2 SER 111 14.842 -24.752 -44.295 860 HB3 SER 111 HB3 SER 111 14.016 -25.982 -45.292 861 HG SER 111 HG SER 111 15.564 -24.715 -46.482 862 H1 ALA 701 H1 ALA 701 19.528 18.228 -17.422 863 H2 ALA 701 H2 ALA 701 20.011 16.688 -17.729 864 H3 ALA 701 H3 ALA 701 20.888 17.636 -16.706 865 HA ALA 701 HA ALA 701 18.147 16.696 -16.245 866 HB1 ALA 701 HB1 ALA 701 20.757 15.828 -14.929 867 HB2 ALA 701 HB2 ALA 701 19.130 15.286 -14.477 868 HB3 ALA 701 HB3 ALA 701 19.796 14.868 -16.073 869 H ASP 702 H ASP 702 17.053 17.660 -14.604 870 HA ASP 702 HA ASP 702 18.517 19.379 -12.702 871 HB2 ASP 702 HB2 ASP 702 16.171 20.289 -14.434 872 HB3 ASP 702 HB3 ASP 702 16.856 21.213 -13.092 873 H THR 703 H THR 703 16.913 16.780 -12.879 874 HA THR 703 HA THR 703 15.495 17.055 -10.357 875 HB THR 703 HB THR 703 13.778 17.972 -11.814 876 HG1 THR 703 HG1 THR 703 12.204 16.486 -11.318 877 HG21 THR 703 HG21 THR 703 12.871 16.639 -13.691 878 HG22 THR 703 HG22 THR 703 14.573 17.058 -13.955 879 HG23 THR 703 HG23 THR 703 14.147 15.417 -13.426 880 H GLU 704 H GLU 704 14.788 14.970 -9.544 881 HA GLU 704 HA GLU 704 16.631 12.890 -10.308 882 HB2 GLU 704 HB2 GLU 704 15.534 11.612 -8.514 883 HB3 GLU 704 HB3 GLU 704 15.976 13.246 -7.988 884 HG2 GLU 704 HG2 GLU 704 13.633 13.991 -8.405 885 HG3 GLU 704 HG3 GLU 704 13.206 12.336 -8.862 886 H MET 705 H MET 705 13.342 13.664 -11.317 887 HA MET 705 HA MET 705 12.754 11.001 -12.251 888 HB2 MET 705 HB2 MET 705 11.046 12.165 -13.696 889 HB3 MET 705 HB3 MET 705 10.914 12.297 -11.945 890 HG2 MET 705 HG2 MET 705 12.444 14.495 -12.476 891 HG3 MET 705 HG3 MET 705 11.585 14.390 -14.002 892 HE1 MET 705 HE1 MET 705 11.035 13.835 -10.276 893 HE2 MET 705 HE2 MET 705 9.444 14.571 -9.905 894 HE3 MET 705 HE3 MET 705 9.539 13.071 -10.860 895 H GLU 706 H GLU 706 14.958 13.404 -13.292 896 HA GLU 706 HA GLU 706 15.071 12.293 -16.023 897 HB2 GLU 706 HB2 GLU 706 15.343 14.852 -15.097 898 HB3 GLU 706 HB3 GLU 706 17.033 14.357 -15.151 899 HG2 GLU 706 HG2 GLU 706 14.978 14.219 -17.408 900 HG3 GLU 706 HG3 GLU 706 16.252 15.421 -17.268 901 H GLU 707 H GLU 707 15.732 11.028 -13.304 902 HA GLU 707 HA GLU 707 18.251 9.732 -14.137 903 HB2 GLU 707 HB2 GLU 707 18.693 11.439 -12.340 904 HB3 GLU 707 HB3 GLU 707 17.577 10.558 -11.277 905 HG2 GLU 707 HG2 GLU 707 19.016 8.595 -11.321 906 HG3 GLU 707 HG3 GLU 707 20.030 9.328 -12.576 907 H VAL 708 H VAL 708 18.354 7.546 -12.626 908 HA VAL 708 HA VAL 708 15.902 6.346 -13.658 909 HB VAL 708 HB VAL 708 17.016 4.332 -13.646 910 HG11 VAL 708 HG11 VAL 708 19.052 6.504 -14.311 911 HG12 VAL 708 HG12 VAL 708 19.033 4.862 -14.968 912 HG13 VAL 708 HG13 VAL 708 17.694 5.985 -15.352 913 HG21 VAL 708 HG21 VAL 708 19.343 4.018 -12.757 914 HG22 VAL 708 HG22 VAL 708 19.229 5.609 -11.968 915 HG23 VAL 708 HG23 VAL 708 18.153 4.272 -11.478 916 H ASP 709 H ASP 709 17.540 6.324 -10.399 917 HA ASP 709 HA ASP 709 15.073 4.970 -9.465 918 HB2 ASP 709 HB2 ASP 709 16.354 3.768 -7.808 919 HB3 ASP 709 HB3 ASP 709 16.778 3.321 -9.444 Start of MODEL 11 1 H1 SER 2 H1 SER 2 24.201 -5.001 -2.036 2 H2 SER 2 H2 SER 2 23.686 -6.528 -1.692 3 H3 SER 2 H3 SER 2 22.736 -5.506 -2.575 4 HA SER 2 HA SER 2 24.258 -5.483 -4.374 5 HB2 SER 2 HB2 SER 2 25.880 -7.384 -2.646 6 HB3 SER 2 HB3 SER 2 26.250 -6.935 -4.322 7 HG SER 2 HG SER 2 27.367 -5.631 -2.788 8 H GLN 3 H GLN 3 21.900 -6.375 -4.467 9 HA GLN 3 HA GLN 3 22.071 -9.002 -5.727 10 HB2 GLN 3 HB2 GLN 3 21.716 -9.339 -3.204 11 HB3 GLN 3 HB3 GLN 3 20.111 -8.622 -3.431 12 HG2 GLN 3 HG2 GLN 3 19.552 -10.437 -5.049 13 HG3 GLN 3 HG3 GLN 3 21.194 -11.075 -4.892 14 HE21 GLN 3 HE22 GLN 3 19.986 -13.086 -4.320 15 HE22 GLN 3 HE21 GLN 3 19.514 -13.309 -2.646 16 H PHE 4 H PHE 4 21.277 -5.963 -6.072 17 HA PHE 4 HA PHE 4 18.920 -6.367 -7.761 18 HB2 PHE 4 HB2 PHE 4 17.834 -6.184 -5.575 19 HB3 PHE 4 HB3 PHE 4 18.898 -4.871 -5.106 20 HD1 PHE 4 HD1 PHE 4 18.606 -2.552 -6.120 21 HD2 PHE 4 HD2 PHE 4 15.847 -5.780 -6.879 22 HE1 PHE 4 HE1 PHE 4 16.874 -0.922 -6.713 23 HE2 PHE 4 HE2 PHE 4 14.120 -4.129 -7.521 24 HZ PHE 4 HZ PHE 4 14.631 -1.687 -7.428 25 H GLU 5 H GLU 5 21.146 -4.325 -5.951 26 HA GLU 5 HA GLU 5 21.087 -1.936 -7.283 27 HB2 GLU 5 HB2 GLU 5 23.409 -3.546 -6.161 28 HB3 GLU 5 HB3 GLU 5 23.493 -1.850 -6.597 29 HG2 GLU 5 HG2 GLU 5 23.054 -1.772 -4.282 30 HG3 GLU 5 HG3 GLU 5 21.507 -1.421 -5.071 31 H LYS 6 H LYS 6 23.145 -4.880 -8.225 32 HA LYS 6 HA LYS 6 24.462 -3.243 -10.136 33 HB2 LYS 6 HB2 LYS 6 24.361 -6.133 -9.421 34 HB3 LYS 6 HB3 LYS 6 24.848 -5.768 -11.077 35 HG2 LYS 6 HG2 LYS 6 26.861 -5.782 -9.843 36 HG3 LYS 6 HG3 LYS 6 26.490 -4.083 -10.209 37 HD2 LYS 6 HD2 LYS 6 27.276 -4.252 -7.913 38 HD3 LYS 6 HD3 LYS 6 25.565 -3.802 -7.912 39 HE2 LYS 6 HE2 LYS 6 25.969 -5.494 -6.209 40 HE3 LYS 6 HE3 LYS 6 24.958 -6.182 -7.493 41 HZ1 LYS 6 HZ1 LYS 6 26.727 -7.675 -6.847 42 HZ2 LYS 6 HZ2 LYS 6 26.938 -7.201 -8.406 43 HZ3 LYS 6 HZ3 LYS 6 27.872 -6.557 -7.219 44 H GLN 7 H GLN 7 21.684 -5.525 -10.342 45 HA GLN 7 HA GLN 7 21.344 -5.381 -13.150 46 HB2 GLN 7 HB2 GLN 7 19.303 -5.879 -10.965 47 HB3 GLN 7 HB3 GLN 7 19.199 -6.348 -12.678 48 HG2 GLN 7 HG2 GLN 7 21.435 -7.573 -12.323 49 HG3 GLN 7 HG3 GLN 7 21.194 -7.332 -10.579 50 HE21 GLN 7 HE22 GLN 7 19.363 -8.406 -13.497 51 HE22 GLN 7 HE21 GLN 7 18.597 -9.758 -12.690 52 H LYS 8 H LYS 8 20.969 -2.929 -10.729 53 HA LYS 8 HA LYS 8 18.912 -1.454 -12.282 54 HB2 LYS 8 HB2 LYS 8 18.648 -1.811 -9.883 55 HB3 LYS 8 HB3 LYS 8 20.232 -1.101 -9.564 56 HG2 LYS 8 HG2 LYS 8 19.466 1.089 -10.325 57 HG3 LYS 8 HG3 LYS 8 17.913 0.386 -10.861 58 HD2 LYS 8 HD2 LYS 8 17.596 1.314 -8.606 59 HD3 LYS 8 HD3 LYS 8 17.513 -0.449 -8.580 60 HE2 LYS 8 HE2 LYS 8 18.826 0.222 -6.686 61 HE3 LYS 8 HE3 LYS 8 19.913 -0.510 -7.855 62 HZ1 LYS 8 HZ1 LYS 8 19.507 2.393 -7.466 63 HZ2 LYS 8 HZ2 LYS 8 20.799 1.540 -6.935 64 HZ3 LYS 8 HZ3 LYS 8 20.551 1.734 -8.544 65 H GLU 9 H GLU 9 22.172 -1.197 -10.886 66 HA GLU 9 HA GLU 9 22.761 1.420 -11.923 67 HB2 GLU 9 HB2 GLU 9 24.481 -0.760 -10.706 68 HB3 GLU 9 HB3 GLU 9 24.973 0.936 -10.913 69 HG2 GLU 9 HG2 GLU 9 22.438 0.138 -9.426 70 HG3 GLU 9 HG3 GLU 9 23.998 0.222 -8.617 71 H GLN 10 H GLN 10 23.406 -1.923 -12.982 72 HA GLN 10 HA GLN 10 25.379 -1.243 -14.936 73 HB2 GLN 10 HB2 GLN 10 24.630 -3.610 -14.154 74 HB3 GLN 10 HB3 GLN 10 23.271 -3.409 -15.272 75 HG2 GLN 10 HG2 GLN 10 25.245 -2.726 -16.959 76 HG3 GLN 10 HG3 GLN 10 26.214 -3.699 -15.835 77 HE21 GLN 10 HE22 GLN 10 23.384 -3.673 -17.995 78 HE22 GLN 10 HE21 GLN 10 23.335 -5.402 -18.283 79 H GLY 11 H GLY 11 21.804 -1.362 -15.087 80 HA2 GLY 11 HA2 GLY 11 21.752 -0.470 -17.872 81 HA3 GLY 11 HA3 GLY 11 20.365 -0.745 -16.800 82 H ASN 12 H ASN 12 21.749 0.987 -14.674 83 HA ASN 12 HA ASN 12 20.442 3.431 -15.086 84 HB2 ASN 12 HB2 ASN 12 21.290 2.373 -12.967 85 HB3 ASN 12 HB3 ASN 12 22.941 2.776 -13.479 86 HD21 ASN 12 HD22 ASN 12 22.140 3.382 -11.055 87 HD22 ASN 12 HD21 ASN 12 21.997 5.091 -10.859 88 H SER 13 H SER 13 23.649 2.331 -16.207 89 HA SER 13 HA SER 13 24.239 5.086 -17.117 90 HB2 SER 13 HB2 SER 13 25.842 2.538 -17.449 91 HB3 SER 13 HB3 SER 13 26.377 4.210 -17.786 92 HG SER 13 HG SER 13 26.094 4.669 -15.580 93 H LEU 14 H LEU 14 23.370 1.847 -18.505 94 HA LEU 14 HA LEU 14 23.638 2.393 -21.251 95 HB2 LEU 14 HB2 LEU 14 21.620 0.765 -19.711 96 HB3 LEU 14 HB3 LEU 14 21.913 0.679 -21.443 97 HG LEU 14 HG LEU 14 23.556 -0.352 -19.186 98 HD11 LEU 14 HD11 LEU 14 23.231 -0.918 -22.113 99 HD12 LEU 14 HD12 LEU 14 23.985 -2.036 -20.919 100 HD13 LEU 14 HD13 LEU 14 22.237 -1.643 -20.798 101 HD21 LEU 14 HD21 LEU 14 25.241 1.268 -20.093 102 HD22 LEU 14 HD22 LEU 14 25.643 -0.399 -20.527 103 HD23 LEU 14 HD23 LEU 14 24.905 0.654 -21.738 104 H PHE 15 H PHE 15 21.056 3.258 -18.947 105 HA PHE 15 HA PHE 15 19.125 4.227 -20.802 106 HB2 PHE 15 HB2 PHE 15 18.461 3.766 -18.592 107 HB3 PHE 15 HB3 PHE 15 19.819 4.652 -17.895 108 HD1 PHE 15 HD1 PHE 15 16.639 5.159 -19.803 109 HD2 PHE 15 HD2 PHE 15 19.606 6.891 -17.210 110 HE1 PHE 15 HE1 PHE 15 15.199 7.149 -19.475 111 HE2 PHE 15 HE2 PHE 15 18.100 8.772 -16.737 112 HZ PHE 15 HZ PHE 15 15.912 8.952 -17.914 113 H LYS 16 H LYS 16 22.119 5.612 -19.550 114 HA LYS 16 HA LYS 16 21.277 8.303 -20.312 115 HB2 LYS 16 HB2 LYS 16 24.015 7.549 -19.314 116 HB3 LYS 16 HB3 LYS 16 23.110 9.067 -19.073 117 HG2 LYS 16 HG2 LYS 16 21.510 7.836 -17.613 118 HG3 LYS 16 HG3 LYS 16 22.467 6.352 -17.878 119 HD2 LYS 16 HD2 LYS 16 23.282 7.110 -15.859 120 HD3 LYS 16 HD3 LYS 16 24.486 7.723 -17.005 121 HE2 LYS 16 HE2 LYS 16 23.245 9.926 -17.017 122 HE3 LYS 16 HE3 LYS 16 22.101 9.242 -15.840 123 HZ1 LYS 16 HZ1 LYS 16 24.990 9.607 -15.401 124 HZ2 LYS 16 HZ2 LYS 16 23.798 10.551 -14.772 125 HZ3 LYS 16 HZ3 LYS 16 23.932 8.982 -14.310 126 H GLN 17 H GLN 17 22.527 5.697 -22.045 127 HA GLN 17 HA GLN 17 24.587 7.247 -23.522 128 HB2 GLN 17 HB2 GLN 17 23.930 4.286 -23.220 129 HB3 GLN 17 HB3 GLN 17 25.072 4.899 -24.416 130 HG2 GLN 17 HG2 GLN 17 26.281 6.101 -22.531 131 HG3 GLN 17 HG3 GLN 17 25.282 5.172 -21.404 132 HE21 GLN 17 HE22 GLN 17 25.159 2.664 -22.298 133 HE22 GLN 17 HE21 GLN 17 26.745 1.960 -22.525 134 H GLY 18 H GLY 18 21.314 6.069 -23.856 135 HA2 GLY 18 HA2 GLY 18 20.366 7.095 -26.058 136 HA3 GLY 18 HA3 GLY 18 21.637 6.026 -26.801 137 H LEU 19 H LEU 19 21.220 4.050 -24.653 138 HA LEU 19 HA LEU 19 19.251 2.628 -26.341 139 HB2 LEU 19 HB2 LEU 19 20.678 0.631 -25.542 140 HB3 LEU 19 HB3 LEU 19 21.082 1.621 -26.918 141 HG LEU 19 HG LEU 19 22.591 2.928 -25.050 142 HD11 LEU 19 HD11 LEU 19 22.404 0.054 -24.060 143 HD12 LEU 19 HD12 LEU 19 23.423 1.342 -23.380 144 HD13 LEU 19 HD13 LEU 19 21.647 1.442 -23.252 145 HD21 LEU 19 HD21 LEU 19 23.468 1.836 -27.075 146 HD22 LEU 19 HD22 LEU 19 24.476 1.485 -25.661 147 HD23 LEU 19 HD23 LEU 19 23.350 0.249 -26.287 148 H TYR 20 H TYR 20 17.943 3.847 -24.873 149 HA TYR 20 HA TYR 20 17.448 3.424 -22.208 150 HB2 TYR 20 HB2 TYR 20 15.386 3.546 -24.409 151 HB3 TYR 20 HB3 TYR 20 15.179 4.185 -22.802 152 HD1 TYR 20 HD2 TYR 20 17.526 5.671 -22.175 153 HD2 TYR 20 HD1 TYR 20 15.572 5.296 -25.986 154 HE1 TYR 20 HE2 TYR 20 18.530 7.842 -22.907 155 HE2 TYR 20 HE1 TYR 20 16.588 7.435 -26.729 156 HH TYR 20 HH TYR 20 17.920 9.205 -26.160 157 H ARG 21 H ARG 21 16.529 1.250 -24.975 158 HA ARG 21 HA ARG 21 14.758 -0.410 -23.394 159 HB2 ARG 21 HB2 ARG 21 14.485 -0.032 -25.753 160 HB3 ARG 21 HB3 ARG 21 16.124 -0.614 -26.087 161 HG2 ARG 21 HG2 ARG 21 14.360 -2.253 -26.525 162 HG3 ARG 21 HG3 ARG 21 15.616 -2.812 -25.394 163 HD2 ARG 21 HD2 ARG 21 13.550 -3.607 -24.514 164 HD3 ARG 21 HD3 ARG 21 13.992 -2.239 -23.491 165 HE ARG 21 HE ARG 21 12.398 -1.047 -25.366 166 HH11 ARG 21 HH11 ARG 21 11.989 -3.929 -23.353 167 HH12 ARG 21 HH12 ARG 21 10.251 -3.781 -23.291 168 HH21 ARG 21 HH21 ARG 21 10.110 -0.877 -25.259 169 HH22 ARG 21 HH22 ARG 21 9.198 -2.066 -24.369 170 H GLU 22 H GLU 22 18.213 -0.478 -24.414 171 HA GLU 22 HA GLU 22 18.679 -3.119 -23.373 172 HB2 GLU 22 HB2 GLU 22 20.595 -0.780 -23.741 173 HB3 GLU 22 HB3 GLU 22 21.064 -2.466 -23.444 174 HG2 GLU 22 HG2 GLU 22 19.859 -3.133 -25.517 175 HG3 GLU 22 HG3 GLU 22 19.524 -1.423 -25.861 176 H ALA 23 H ALA 23 18.294 0.036 -21.913 177 HA ALA 23 HA ALA 23 19.651 -0.607 -19.445 178 HB1 ALA 23 HB1 ALA 23 17.547 1.538 -19.984 179 HB2 ALA 23 HB2 ALA 23 18.767 1.521 -18.707 180 HB3 ALA 23 HB3 ALA 23 19.254 1.701 -20.414 181 H VAL 24 H VAL 24 16.292 -0.861 -20.700 182 HA VAL 24 HA VAL 24 15.028 -1.238 -18.183 183 HB VAL 24 HB VAL 24 13.159 -1.191 -19.338 184 HG11 VAL 24 HG11 VAL 24 14.438 0.653 -20.215 185 HG12 VAL 24 HG12 VAL 24 14.905 -0.381 -21.599 186 HG13 VAL 24 HG13 VAL 24 13.195 0.083 -21.364 187 HG21 VAL 24 HG21 VAL 24 12.524 -2.225 -21.351 188 HG22 VAL 24 HG22 VAL 24 14.161 -2.950 -21.530 189 HG23 VAL 24 HG23 VAL 24 13.109 -3.356 -20.129 190 H HIS 25 H HIS 25 16.512 -3.025 -20.624 191 HA HIS 25 HA HIS 25 15.445 -5.565 -20.282 192 HB2 HIS 25 HB2 HIS 25 17.193 -4.253 -21.937 193 HB3 HIS 25 HB3 HIS 25 18.288 -5.375 -21.198 194 HD2 HIS 25 HD2 HIS 25 16.562 -4.992 -24.165 195 HE1 HIS 25 HE1 HIS 25 15.495 -9.040 -23.418 196 HE2 HIS 25 HE2 HIS 25 15.612 -7.226 -25.196 197 H CYS 26 H CYS 26 17.380 -3.849 -18.122 198 HA CYS 26 HA CYS 26 18.101 -6.347 -16.649 199 HB2 CYS 26 HB2 CYS 26 19.549 -3.663 -16.687 200 HB3 CYS 26 HB3 CYS 26 19.949 -5.048 -15.644 201 HG CYS 26 HG CYS 26 21.686 -4.910 -17.567 202 H TYR 27 H TYR 27 16.790 -3.077 -16.671 203 HA TYR 27 HA TYR 27 15.996 -2.691 -13.985 204 HB2 TYR 27 HB2 TYR 27 14.705 -2.154 -16.666 205 HB3 TYR 27 HB3 TYR 27 14.075 -1.442 -15.254 206 HD1 TYR 27 HD1 TYR 27 17.527 -1.338 -14.609 207 HD2 TYR 27 HD2 TYR 27 14.508 0.414 -17.130 208 HE1 TYR 27 HE1 TYR 27 18.934 0.677 -14.903 209 HE2 TYR 27 HE2 TYR 27 15.890 2.419 -17.430 210 HH TYR 27 HH TYR 27 19.133 2.710 -15.892 211 H ASP 28 H ASP 28 14.661 -4.722 -16.596 212 HA ASP 28 HA ASP 28 12.111 -5.186 -15.472 213 HB2 ASP 28 HB2 ASP 28 12.775 -5.593 -17.821 214 HB3 ASP 28 HB3 ASP 28 13.790 -6.948 -17.285 215 H GLN 29 H GLN 29 15.311 -6.662 -14.824 216 HA GLN 29 HA GLN 29 14.114 -8.822 -13.335 217 HB2 GLN 29 HB2 GLN 29 16.981 -7.799 -13.482 218 HB3 GLN 29 HB3 GLN 29 16.454 -9.223 -12.564 219 HG2 GLN 29 HG2 GLN 29 16.938 -10.333 -14.469 220 HG3 GLN 29 HG3 GLN 29 15.314 -9.832 -14.934 221 HE21 GLN 29 HE22 GLN 29 15.092 -8.580 -16.767 222 HE22 GLN 29 HE21 GLN 29 16.422 -7.849 -17.645 223 H LEU 30 H LEU 30 14.686 -5.474 -12.611 224 HA LEU 30 HA LEU 30 15.038 -5.763 -9.740 225 HB2 LEU 30 HB2 LEU 30 13.736 -3.519 -11.310 226 HB3 LEU 30 HB3 LEU 30 14.369 -3.414 -9.662 227 HG LEU 30 HG LEU 30 15.859 -3.757 -12.246 228 HD11 LEU 30 HD11 LEU 30 15.194 -1.482 -11.532 229 HD12 LEU 30 HD12 LEU 30 16.099 -1.714 -10.011 230 HD13 LEU 30 HD13 LEU 30 16.967 -1.698 -11.564 231 HD21 LEU 30 HD21 LEU 30 16.950 -5.266 -10.604 232 HD22 LEU 30 HD22 LEU 30 17.961 -3.830 -10.860 233 HD23 LEU 30 HD23 LEU 30 16.954 -3.960 -9.398 234 H ILE 31 H ILE 31 12.277 -5.598 -11.993 235 HA ILE 31 HA ILE 31 10.318 -5.603 -9.833 236 HB ILE 31 HB ILE 31 9.869 -6.369 -12.752 237 HG12 ILE 31 HG12 ILE 31 8.936 -3.754 -12.428 238 HG13 ILE 31 HG13 ILE 31 10.472 -3.726 -11.554 239 HG21 ILE 31 HG21 ILE 31 8.245 -5.175 -10.509 240 HG22 ILE 31 HG22 ILE 31 7.613 -5.537 -12.137 241 HG23 ILE 31 HG23 ILE 31 8.158 -6.884 -11.083 242 HD11 ILE 31 HD11 ILE 31 10.096 -4.738 -14.407 243 HD12 ILE 31 HD12 ILE 31 10.686 -3.120 -13.962 244 HD13 ILE 31 HD13 ILE 31 11.632 -4.572 -13.518 245 H THR 32 H THR 32 12.001 -8.057 -11.800 246 HA THR 32 HA THR 32 10.205 -10.118 -10.764 247 HB THR 32 HB THR 32 12.848 -10.081 -12.303 248 HG1 THR 32 HG1 THR 32 11.033 -9.387 -13.445 249 HG21 THR 32 HG21 THR 32 11.149 -12.536 -11.759 250 HG22 THR 32 HG22 THR 32 12.534 -12.439 -12.880 251 HG23 THR 32 HG23 THR 32 12.796 -12.221 -11.143 252 H ALA 33 H ALA 33 13.298 -8.706 -9.778 253 HA ALA 33 HA ALA 33 13.767 -10.871 -7.867 254 HB1 ALA 33 HB1 ALA 33 15.081 -8.127 -8.186 255 HB2 ALA 33 HB2 ALA 33 15.677 -9.444 -7.161 256 HB3 ALA 33 HB3 ALA 33 15.662 -9.636 -8.934 257 H GLN 34 H GLN 34 12.277 -7.681 -8.028 258 HA GLN 34 HA GLN 34 11.217 -8.028 -5.325 259 HB2 GLN 34 HB2 GLN 34 13.445 -6.539 -5.784 260 HB3 GLN 34 HB3 GLN 34 12.280 -5.326 -6.203 261 HG2 GLN 34 HG2 GLN 34 11.289 -5.521 -3.895 262 HG3 GLN 34 HG3 GLN 34 12.428 -6.846 -3.552 263 HE21 GLN 34 HE22 GLN 34 14.750 -6.076 -4.705 264 HE22 GLN 34 HE21 GLN 34 15.276 -4.463 -4.343 265 HA PRO 35 HA PRO 35 8.257 -6.782 -8.635 266 HB2 PRO 35 HB2 PRO 35 6.368 -8.712 -7.847 267 HB3 PRO 35 HB3 PRO 35 7.603 -8.844 -9.119 268 HG2 PRO 35 HG2 PRO 35 7.597 -10.206 -6.502 269 HG3 PRO 35 HG3 PRO 35 8.625 -10.493 -7.946 270 HD2 PRO 35 HD2 PRO 35 9.385 -9.149 -5.571 271 HD3 PRO 35 HD3 PRO 35 10.319 -9.491 -7.057 272 H GLN 36 H GLN 36 8.381 -7.002 -5.373 273 HA GLN 36 HA GLN 36 6.206 -5.017 -5.076 274 HB2 GLN 36 HB2 GLN 36 7.732 -6.403 -2.837 275 HB3 GLN 36 HB3 GLN 36 6.309 -5.367 -2.660 276 HG2 GLN 36 HG2 GLN 36 5.028 -7.201 -2.809 277 HG3 GLN 36 HG3 GLN 36 5.534 -7.355 -4.503 278 HE21 GLN 36 HE22 GLN 36 7.291 -8.778 -5.021 279 HE22 GLN 36 HE21 GLN 36 7.906 -9.966 -3.882 280 H ASN 37 H ASN 37 8.451 -4.166 -6.425 281 HA ASN 37 HA ASN 37 9.225 -1.924 -4.647 282 HB2 ASN 37 HB2 ASN 37 11.461 -2.522 -4.632 283 HB3 ASN 37 HB3 ASN 37 10.974 -4.035 -5.360 284 HD21 ASN 37 HD22 ASN 37 10.849 -4.181 -7.662 285 HD22 ASN 37 HD21 ASN 37 11.993 -3.266 -8.646 286 HA PRO 38 HA PRO 38 8.047 0.305 -8.137 287 HB2 PRO 38 HB2 PRO 38 8.516 2.724 -7.215 288 HB3 PRO 38 HB3 PRO 38 7.365 1.597 -6.396 289 HG2 PRO 38 HG2 PRO 38 10.199 2.317 -5.562 290 HG3 PRO 38 HG3 PRO 38 8.733 2.125 -4.539 291 HD2 PRO 38 HD2 PRO 38 10.700 0.175 -5.105 292 HD3 PRO 38 HD3 PRO 38 9.056 -0.122 -4.434 293 H VAL 39 H VAL 39 11.500 1.310 -7.006 294 HA VAL 39 HA VAL 39 12.169 2.613 -9.280 295 HB VAL 39 HB VAL 39 14.097 2.502 -8.539 296 HG11 VAL 39 HG11 VAL 39 13.150 2.351 -6.389 297 HG12 VAL 39 HG12 VAL 39 13.440 0.571 -6.362 298 HG13 VAL 39 HG13 VAL 39 14.802 1.735 -6.515 299 HG21 VAL 39 HG21 VAL 39 14.803 0.808 -9.944 300 HG22 VAL 39 HG22 VAL 39 15.577 0.495 -8.374 301 HG23 VAL 39 HG23 VAL 39 14.175 -0.483 -8.892 302 H GLY 40 H GLY 40 11.667 -0.729 -8.864 303 HA2 GLY 40 HA2 GLY 40 12.629 -1.961 -11.268 304 HA3 GLY 40 HA3 GLY 40 11.253 -2.490 -10.385 305 H TYR 41 H TYR 41 9.333 -0.546 -10.721 306 HA TYR 41 HA TYR 41 8.681 -0.573 -13.533 307 HB2 TYR 41 HB2 TYR 41 7.618 0.895 -11.103 308 HB3 TYR 41 HB3 TYR 41 6.749 0.820 -12.600 309 HD1 TYR 41 HD1 TYR 41 6.016 -1.489 -13.494 310 HD2 TYR 41 HD2 TYR 41 7.382 -0.778 -9.495 311 HE1 TYR 41 HE1 TYR 41 4.939 -3.611 -12.766 312 HE2 TYR 41 HE2 TYR 41 6.309 -2.906 -8.737 313 HH TYR 41 HH TYR 41 4.522 -5.024 -11.014 314 H SER 42 H SER 42 10.311 1.625 -11.299 315 HA SER 42 HA SER 42 9.494 4.064 -12.592 316 HB2 SER 42 HB2 SER 42 11.890 3.679 -10.749 317 HB3 SER 42 HB3 SER 42 10.972 5.172 -11.072 318 HG SER 42 HG SER 42 9.848 2.863 -9.908 319 H ASN 43 H ASN 43 12.405 1.980 -12.950 320 HA ASN 43 HA ASN 43 13.544 4.043 -14.739 321 HB2 ASN 43 HB2 ASN 43 15.528 2.614 -14.731 322 HB3 ASN 43 HB3 ASN 43 15.049 3.210 -13.138 323 HD21 ASN 43 HD22 ASN 43 16.589 1.483 -12.485 324 HD22 ASN 43 HD21 ASN 43 15.925 -0.126 -12.242 325 H LYS 44 H LYS 44 12.278 0.690 -14.838 326 HA LYS 44 HA LYS 44 12.506 0.231 -17.666 327 HB2 LYS 44 HB2 LYS 44 11.955 -1.472 -16.029 328 HB3 LYS 44 HB3 LYS 44 10.444 -0.630 -15.621 329 HG2 LYS 44 HG2 LYS 44 9.607 -0.978 -17.912 330 HG3 LYS 44 HG3 LYS 44 11.142 -1.761 -18.371 331 HD2 LYS 44 HD2 LYS 44 10.734 -3.544 -16.720 332 HD3 LYS 44 HD3 LYS 44 9.236 -2.735 -16.198 333 HE2 LYS 44 HE2 LYS 44 8.322 -2.980 -18.493 334 HE3 LYS 44 HE3 LYS 44 9.809 -3.808 -18.991 335 HZ1 LYS 44 HZ1 LYS 44 9.320 -5.530 -17.406 336 HZ2 LYS 44 HZ2 LYS 44 7.967 -4.758 -16.895 337 HZ3 LYS 44 HZ3 LYS 44 8.047 -5.345 -18.426 338 H ALA 45 H ALA 45 10.547 2.415 -15.727 339 HA ALA 45 HA ALA 45 8.648 2.923 -17.939 340 HB1 ALA 45 HB1 ALA 45 8.988 4.256 -15.220 341 HB2 ALA 45 HB2 ALA 45 7.676 4.576 -16.388 342 HB3 ALA 45 HB3 ALA 45 7.821 2.982 -15.628 343 H MET 46 H MET 46 11.251 4.726 -16.162 344 HA MET 46 HA MET 46 10.981 7.121 -17.595 345 HB2 MET 46 HB2 MET 46 12.358 6.713 -15.542 346 HB3 MET 46 HB3 MET 46 13.551 5.882 -16.551 347 HG2 MET 46 HG2 MET 46 14.338 8.091 -16.235 348 HG3 MET 46 HG3 MET 46 13.809 7.985 -17.909 349 HE1 MET 46 HE1 MET 46 12.194 9.456 -19.021 350 HE2 MET 46 HE2 MET 46 10.724 8.894 -18.189 351 HE3 MET 46 HE3 MET 46 11.098 10.621 -18.239 352 H ALA 47 H ALA 47 12.622 4.088 -18.463 353 HA ALA 47 HA ALA 47 13.978 5.141 -20.772 354 HB1 ALA 47 HB1 ALA 47 13.099 2.324 -20.016 355 HB2 ALA 47 HB2 ALA 47 14.211 2.732 -21.340 356 HB3 ALA 47 HB3 ALA 47 14.668 3.071 -19.652 357 H LEU 48 H LEU 48 10.720 3.696 -20.203 358 HA LEU 48 HA LEU 48 10.095 3.431 -22.993 359 HB2 LEU 48 HB2 LEU 48 8.379 3.621 -20.493 360 HB3 LEU 48 HB3 LEU 48 7.716 3.312 -22.111 361 HG LEU 48 HG LEU 48 9.854 1.586 -20.816 362 HD11 LEU 48 HD11 LEU 48 6.822 1.250 -20.928 363 HD12 LEU 48 HD12 LEU 48 7.963 0.005 -20.366 364 HD13 LEU 48 HD13 LEU 48 7.785 1.539 -19.470 365 HD21 LEU 48 HD21 LEU 48 9.299 -0.046 -22.477 366 HD22 LEU 48 HD22 LEU 48 7.945 0.924 -23.077 367 HD23 LEU 48 HD23 LEU 48 9.623 1.482 -23.330 368 H ILE 49 H ILE 49 10.120 6.234 -20.830 369 HA ILE 49 HA ILE 49 8.497 7.833 -22.669 370 HB ILE 49 HB ILE 49 10.362 8.381 -20.323 371 HG12 ILE 49 HG12 ILE 49 8.284 9.757 -19.645 372 HG13 ILE 49 HG13 ILE 49 7.431 8.892 -20.925 373 HG21 ILE 49 HG21 ILE 49 9.238 10.497 -22.195 374 HG22 ILE 49 HG22 ILE 49 10.012 10.812 -20.635 375 HG23 ILE 49 HG23 ILE 49 10.964 10.093 -21.941 376 HD11 ILE 49 HD11 ILE 49 8.899 7.574 -18.604 377 HD12 ILE 49 HD12 ILE 49 7.147 7.782 -18.725 378 HD13 ILE 49 HD13 ILE 49 7.992 6.730 -19.891 379 H LYS 50 H LYS 50 12.012 7.479 -21.983 380 HA LYS 50 HA LYS 50 12.910 9.086 -24.096 381 HB2 LYS 50 HB2 LYS 50 13.906 7.433 -21.980 382 HB3 LYS 50 HB3 LYS 50 14.719 6.964 -23.476 383 HG2 LYS 50 HG2 LYS 50 15.969 8.782 -22.464 384 HG3 LYS 50 HG3 LYS 50 15.159 9.406 -23.926 385 HD2 LYS 50 HD2 LYS 50 14.871 11.037 -22.208 386 HD3 LYS 50 HD3 LYS 50 13.298 10.248 -22.377 387 HE2 LYS 50 HE2 LYS 50 13.635 8.957 -20.383 388 HE3 LYS 50 HE3 LYS 50 15.375 9.289 -20.393 389 HZ1 LYS 50 HZ1 LYS 50 13.278 11.312 -19.938 390 HZ2 LYS 50 HZ2 LYS 50 14.222 10.641 -18.759 391 HZ3 LYS 50 HZ3 LYS 50 14.890 11.590 -19.918 392 H LEU 51 H LEU 51 11.382 5.951 -24.260 393 HA LEU 51 HA LEU 51 12.478 5.440 -26.964 394 HB2 LEU 51 HB2 LEU 51 10.762 3.866 -25.004 395 HB3 LEU 51 HB3 LEU 51 11.116 3.320 -26.642 396 HG LEU 51 HG LEU 51 13.286 3.929 -24.599 397 HD11 LEU 51 HD11 LEU 51 11.795 2.139 -23.766 398 HD12 LEU 51 HD12 LEU 51 11.961 1.275 -25.312 399 HD13 LEU 51 HD13 LEU 51 13.369 1.474 -24.238 400 HD21 LEU 51 HD21 LEU 51 14.640 2.466 -26.056 401 HD22 LEU 51 HD22 LEU 51 13.277 2.318 -27.184 402 HD23 LEU 51 HD23 LEU 51 14.059 3.901 -26.924 403 H GLY 52 H GLY 52 9.744 6.536 -25.099 404 HA2 GLY 52 HA2 GLY 52 7.966 7.786 -25.720 405 HA3 GLY 52 HA3 GLY 52 8.260 7.497 -27.427 406 H GLU 53 H GLU 53 8.275 4.715 -25.357 407 HA GLU 53 HA GLU 53 5.549 3.867 -26.169 408 HB2 GLU 53 HB2 GLU 53 7.545 2.318 -24.468 409 HB3 GLU 53 HB3 GLU 53 6.296 1.663 -25.551 410 HG2 GLU 53 HG2 GLU 53 7.716 2.735 -27.451 411 HG3 GLU 53 HG3 GLU 53 8.970 2.928 -26.231 412 H TYR 54 H TYR 54 5.966 6.058 -24.590 413 HA TYR 54 HA TYR 54 5.257 6.269 -22.058 414 HB2 TYR 54 HB2 TYR 54 3.613 6.895 -24.471 415 HB3 TYR 54 HB3 TYR 54 3.317 7.695 -23.023 416 HD1 TYR 54 HD2 TYR 54 6.449 8.268 -22.531 417 HD2 TYR 54 HD1 TYR 54 3.883 8.509 -25.950 418 HE1 TYR 54 HE2 TYR 54 8.032 9.879 -23.605 419 HE2 TYR 54 HE1 TYR 54 5.528 10.005 -27.097 420 HH TYR 54 HH TYR 54 7.472 11.183 -26.890 421 H THR 55 H THR 55 3.081 4.751 -24.570 422 HA THR 55 HA THR 55 0.716 4.554 -23.110 423 HB THR 55 HB THR 55 1.764 2.338 -24.886 424 HG1 THR 55 HG1 THR 55 0.945 3.583 -26.589 425 HG21 THR 55 HG21 THR 55 -0.391 2.017 -23.676 426 HG22 THR 55 HG22 THR 55 -0.988 3.539 -24.373 427 HG23 THR 55 HG23 THR 55 -0.640 2.140 -25.429 428 H GLN 56 H GLN 56 3.560 2.587 -23.069 429 HA GLN 56 HA GLN 56 2.558 0.619 -21.125 430 HB2 GLN 56 HB2 GLN 56 5.354 1.100 -22.242 431 HB3 GLN 56 HB3 GLN 56 4.785 -0.356 -21.401 432 HG2 GLN 56 HG2 GLN 56 3.886 0.733 -24.109 433 HG3 GLN 56 HG3 GLN 56 4.866 -0.697 -23.836 434 HE21 GLN 56 HE22 GLN 56 1.660 0.723 -23.602 435 HE22 GLN 56 HE21 GLN 56 0.772 -0.783 -23.399 436 H ALA 57 H ALA 57 4.852 3.343 -21.235 437 HA ALA 57 HA ALA 57 5.946 3.153 -18.664 438 HB1 ALA 57 HB1 ALA 57 5.174 5.693 -20.177 439 HB2 ALA 57 HB2 ALA 57 6.499 5.508 -19.002 440 HB3 ALA 57 HB3 ALA 57 6.576 4.714 -20.611 441 H ILE 58 H ILE 58 2.919 4.706 -19.739 442 HA ILE 58 HA ILE 58 2.222 6.067 -17.372 443 HB ILE 58 HB ILE 58 0.552 4.721 -19.518 444 HG12 ILE 58 HG12 ILE 58 1.041 7.692 -19.340 445 HG13 ILE 58 HG13 ILE 58 2.304 6.669 -20.011 446 HG21 ILE 58 HG21 ILE 58 -0.268 6.894 -17.537 447 HG22 ILE 58 HG22 ILE 58 -1.236 6.331 -18.910 448 HG23 ILE 58 HG23 ILE 58 -0.873 5.222 -17.567 449 HD11 ILE 58 HD11 ILE 58 0.612 5.635 -21.556 450 HD12 ILE 58 HD12 ILE 58 -0.576 6.836 -21.025 451 HD13 ILE 58 HD13 ILE 58 0.903 7.352 -21.871 452 H GLN 59 H GLN 59 1.806 2.626 -18.381 453 HA GLN 59 HA GLN 59 0.126 1.928 -16.168 454 HB2 GLN 59 HB2 GLN 59 1.881 0.223 -17.972 455 HB3 GLN 59 HB3 GLN 59 0.543 -0.318 -16.934 456 HG2 GLN 59 HG2 GLN 59 0.450 1.321 -19.477 457 HG3 GLN 59 HG3 GLN 59 -0.338 -0.228 -19.116 458 HE21 GLN 59 HE22 GLN 59 -0.963 2.936 -19.610 459 HE22 GLN 59 HE21 GLN 59 -2.346 3.159 -18.546 460 H MET 60 H MET 60 3.622 1.879 -16.834 461 HA MET 60 HA MET 60 4.420 0.307 -14.526 462 HB2 MET 60 HB2 MET 60 5.941 2.406 -16.106 463 HB3 MET 60 HB3 MET 60 6.637 1.235 -14.973 464 HG2 MET 60 HG2 MET 60 5.364 0.682 -17.667 465 HG3 MET 60 HG3 MET 60 7.059 0.542 -17.226 466 HE1 MET 60 HE1 MET 60 3.958 -1.069 -17.966 467 HE2 MET 60 HE2 MET 60 3.764 -2.517 -16.945 468 HE3 MET 60 HE3 MET 60 3.451 -0.897 -16.273 469 H CYS 61 H CYS 61 4.075 3.861 -15.087 470 HA CYS 61 HA CYS 61 5.377 4.555 -12.631 471 HB2 CYS 61 HB2 CYS 61 3.436 6.075 -14.420 472 HB3 CYS 61 HB3 CYS 61 4.370 6.788 -13.091 473 HG CYS 61 HG CYS 61 6.709 5.985 -13.957 474 H GLN 62 H GLN 62 1.862 4.630 -13.511 475 HA GLN 62 HA GLN 62 0.940 5.013 -10.887 476 HB2 GLN 62 HB2 GLN 62 -1.187 4.074 -11.658 477 HB3 GLN 62 HB3 GLN 62 -0.504 5.306 -12.750 478 HG2 GLN 62 HG2 GLN 62 -0.898 3.843 -14.403 479 HG3 GLN 62 HG3 GLN 62 0.492 2.937 -13.780 480 HE21 GLN 62 HE22 GLN 62 0.097 1.135 -12.329 481 HE22 GLN 62 HE21 GLN 62 -1.461 0.335 -12.312 482 H GLN 63 H GLN 63 2.137 1.948 -12.306 483 HA GLN 63 HA GLN 63 1.271 0.243 -10.143 484 HB2 GLN 63 HB2 GLN 63 2.832 0.126 -12.580 485 HB3 GLN 63 HB3 GLN 63 3.837 -0.472 -11.266 486 HG2 GLN 63 HG2 GLN 63 2.655 -2.264 -12.343 487 HG3 GLN 63 HG3 GLN 63 2.114 -2.116 -10.650 488 HE21 GLN 63 HE22 GLN 63 1.253 -1.708 -14.070 489 HE22 GLN 63 HE21 GLN 63 -0.470 -1.534 -13.814 490 H GLY 64 H GLY 64 4.371 2.091 -10.713 491 HA2 GLY 64 HA2 GLY 64 5.773 1.276 -8.513 492 HA3 GLY 64 HA3 GLY 64 5.790 2.931 -9.142 493 H LEU 65 H LEU 65 2.986 3.540 -8.528 494 HA LEU 65 HA LEU 65 3.352 4.551 -5.875 495 HB2 LEU 65 HB2 LEU 65 0.924 4.396 -7.702 496 HB3 LEU 65 HB3 LEU 65 0.965 5.330 -6.198 497 HG LEU 65 HG LEU 65 2.987 5.717 -8.437 498 HD11 LEU 65 HD11 LEU 65 1.669 7.540 -9.253 499 HD12 LEU 65 HD12 LEU 65 0.611 6.117 -9.172 500 HD13 LEU 65 HD13 LEU 65 0.496 7.374 -7.915 501 HD21 LEU 65 HD21 LEU 65 3.115 6.581 -5.837 502 HD22 LEU 65 HD22 LEU 65 3.805 7.477 -7.192 503 HD23 LEU 65 HD23 LEU 65 2.201 7.920 -6.576 504 H ARG 66 H ARG 66 2.507 1.421 -6.789 505 HA ARG 66 HA ARG 66 0.500 0.909 -4.714 506 HB2 ARG 66 HB2 ARG 66 2.094 -0.731 -6.747 507 HB3 ARG 66 HB3 ARG 66 0.841 -1.426 -5.758 508 HG2 ARG 66 HG2 ARG 66 -0.787 0.263 -6.707 509 HG3 ARG 66 HG3 ARG 66 0.505 0.858 -7.764 510 HD2 ARG 66 HD2 ARG 66 -0.734 -0.710 -9.033 511 HD3 ARG 66 HD3 ARG 66 0.831 -1.461 -8.622 512 HE ARG 66 HE ARG 66 -0.844 -2.308 -6.601 513 HH11 ARG 66 HH11 ARG 66 -1.009 -2.489 -10.129 514 HH12 ARG 66 HH12 ARG 66 -1.926 -3.977 -10.121 515 HH21 ARG 66 HH21 ARG 66 -2.047 -4.233 -6.625 516 HH22 ARG 66 HH22 ARG 66 -2.506 -4.958 -8.147 517 H TYR 67 H TYR 67 3.809 1.117 -5.172 518 HA TYR 67 HA TYR 67 4.533 -0.655 -2.891 519 HB2 TYR 67 HB2 TYR 67 6.084 0.334 -5.310 520 HB3 TYR 67 HB3 TYR 67 6.691 -0.822 -4.150 521 HD1 TYR 67 HD2 TYR 67 5.366 -3.098 -3.960 522 HD2 TYR 67 HD1 TYR 67 4.652 -0.207 -7.051 523 HE1 TYR 67 HE2 TYR 67 4.204 -4.827 -5.303 524 HE2 TYR 67 HE1 TYR 67 3.488 -1.881 -8.398 525 HH TYR 67 HH TYR 67 2.790 -4.104 -8.523 526 H THR 68 H THR 68 4.267 2.678 -3.666 527 HA THR 68 HA THR 68 6.631 3.502 -2.159 528 HB THR 68 HB THR 68 5.711 5.806 -2.584 529 HG1 THR 68 HG1 THR 68 3.520 5.184 -2.781 530 HG21 THR 68 HG21 THR 68 7.339 4.811 -4.105 531 HG22 THR 68 HG22 THR 68 6.053 3.958 -4.974 532 HG23 THR 68 HG23 THR 68 6.127 5.733 -5.026 533 H SER 69 H SER 69 4.500 1.902 -0.797 534 HA SER 69 HA SER 69 2.967 3.531 0.948 535 HB2 SER 69 HB2 SER 69 4.023 0.683 1.210 536 HB3 SER 69 HB3 SER 69 2.801 1.428 2.268 537 HG SER 69 HG SER 69 1.862 0.242 0.528 538 H THR 70 H THR 70 6.222 3.596 0.843 539 HA THR 70 HA THR 70 6.494 4.158 3.750 540 HB THR 70 HB THR 70 7.201 1.879 3.576 541 HG1 THR 70 HG1 THR 70 9.381 2.140 4.139 542 HG21 THR 70 HG21 THR 70 9.070 1.227 2.009 543 HG22 THR 70 HG22 THR 70 7.554 1.627 1.186 544 HG23 THR 70 HG23 THR 70 8.879 2.804 1.204 545 H ALA 71 H ALA 71 8.384 5.438 4.294 546 HA ALA 71 HA ALA 71 8.695 7.579 2.389 547 HB1 ALA 71 HB1 ALA 71 9.982 7.143 5.109 548 HB2 ALA 71 HB2 ALA 71 9.889 8.679 4.202 549 HB3 ALA 71 HB3 ALA 71 8.407 7.923 4.816 550 H GLU 72 H GLU 72 10.498 4.646 2.689 551 HA GLU 72 HA GLU 72 12.990 5.847 1.749 552 HB2 GLU 72 HB2 GLU 72 13.590 3.507 1.239 553 HB3 GLU 72 HB3 GLU 72 13.037 3.707 2.911 554 HG2 GLU 72 HG2 GLU 72 10.764 2.942 2.180 555 HG3 GLU 72 HG3 GLU 72 11.435 2.592 0.580 556 H HIS 73 H HIS 73 9.907 5.258 0.439 557 HA HIS 73 HA HIS 73 10.965 5.173 -2.338 558 HB2 HIS 73 HB2 HIS 73 8.451 3.971 -1.128 559 HB3 HIS 73 HB3 HIS 73 8.746 4.098 -2.865 560 HD2 HIS 73 HD2 HIS 73 12.043 3.311 -1.760 561 HE1 HIS 73 HE1 HIS 73 10.240 -0.533 -2.043 562 HE2 HIS 73 HE2 HIS 73 12.455 0.718 -1.863 563 H VAL 74 H VAL 74 9.950 7.423 -0.267 564 HA VAL 74 HA VAL 74 7.831 8.708 -1.718 565 HB VAL 74 HB VAL 74 8.417 9.241 0.602 566 HG11 VAL 74 HG11 VAL 74 10.918 10.592 -0.494 567 HG12 VAL 74 HG12 VAL 74 10.402 10.476 1.203 568 HG13 VAL 74 HG13 VAL 74 10.914 9.012 0.332 569 HG21 VAL 74 HG21 VAL 74 7.317 10.941 -0.875 570 HG22 VAL 74 HG22 VAL 74 8.337 11.702 0.378 571 HG23 VAL 74 HG23 VAL 74 8.924 11.570 -1.304 572 H ALA 75 H ALA 75 11.322 8.589 -2.031 573 HA ALA 75 HA ALA 75 11.918 10.738 -3.725 574 HB1 ALA 75 HB1 ALA 75 12.884 7.845 -3.871 575 HB2 ALA 75 HB2 ALA 75 13.756 9.267 -4.486 576 HB3 ALA 75 HB3 ALA 75 13.513 9.066 -2.724 577 H ILE 76 H ILE 76 10.817 7.493 -4.389 578 HA ILE 76 HA ILE 76 10.737 7.487 -7.242 579 HB ILE 76 HB ILE 76 9.901 5.952 -4.791 580 HG12 ILE 76 HG12 ILE 76 12.254 6.082 -6.150 581 HG13 ILE 76 HG13 ILE 76 11.701 4.771 -5.141 582 HG21 ILE 76 HG21 ILE 76 9.078 5.101 -7.579 583 HG22 ILE 76 HG22 ILE 76 9.017 4.142 -6.046 584 HG23 ILE 76 HG23 ILE 76 8.022 5.577 -6.217 585 HD11 ILE 76 HD11 ILE 76 11.237 5.247 -8.136 586 HD12 ILE 76 HD12 ILE 76 12.560 4.220 -7.517 587 HD13 ILE 76 HD13 ILE 76 10.854 3.704 -7.315 588 H ARG 77 H ARG 77 8.405 7.937 -4.604 589 HA ARG 77 HA ARG 77 6.015 7.816 -6.133 590 HB2 ARG 77 HB2 ARG 77 6.298 7.928 -3.577 591 HB3 ARG 77 HB3 ARG 77 6.466 9.684 -3.787 592 HG2 ARG 77 HG2 ARG 77 4.221 9.473 -5.156 593 HG3 ARG 77 HG3 ARG 77 4.084 7.899 -4.331 594 HD2 ARG 77 HD2 ARG 77 4.434 9.061 -2.156 595 HD3 ARG 77 HD3 ARG 77 4.513 10.604 -3.027 596 HE ARG 77 HE ARG 77 2.183 10.558 -3.354 597 HH11 ARG 77 HH11 ARG 77 3.260 7.500 -1.936 598 HH12 ARG 77 HH12 ARG 77 1.635 6.979 -1.556 599 HH21 ARG 77 HH21 ARG 77 0.087 9.861 -2.824 600 HH22 ARG 77 HH22 ARG 77 -0.148 8.311 -2.049 601 H SER 78 H SER 78 8.386 10.335 -5.668 602 HA SER 78 HA SER 78 6.955 12.486 -6.955 603 HB2 SER 78 HB2 SER 78 8.994 12.569 -5.346 604 HB3 SER 78 HB3 SER 78 9.960 12.017 -6.712 605 HG SER 78 HG SER 78 9.914 14.317 -6.496 606 H LYS 79 H LYS 79 8.860 9.727 -8.144 607 HA LYS 79 HA LYS 79 9.249 10.976 -10.772 608 HB2 LYS 79 HB2 LYS 79 9.859 8.158 -9.777 609 HB3 LYS 79 HB3 LYS 79 10.473 8.936 -11.256 610 HG2 LYS 79 HG2 LYS 79 11.602 10.649 -9.908 611 HG3 LYS 79 HG3 LYS 79 10.991 9.895 -8.419 612 HD2 LYS 79 HD2 LYS 79 12.248 7.830 -8.923 613 HD3 LYS 79 HD3 LYS 79 12.866 8.573 -10.426 614 HE2 LYS 79 HE2 LYS 79 13.798 10.436 -9.092 615 HE3 LYS 79 HE3 LYS 79 13.212 9.656 -7.597 616 HZ1 LYS 79 HZ1 LYS 79 15.504 9.175 -7.938 617 HZ2 LYS 79 HZ2 LYS 79 14.644 7.790 -8.145 618 HZ3 LYS 79 HZ3 LYS 79 15.233 8.606 -9.454 619 H LEU 80 H LEU 80 7.277 8.423 -9.246 620 HA LEU 80 HA LEU 80 6.126 7.343 -11.614 621 HB2 LEU 80 HB2 LEU 80 5.285 7.569 -8.717 622 HB3 LEU 80 HB3 LEU 80 4.257 6.767 -9.897 623 HG LEU 80 HG LEU 80 5.478 4.892 -9.951 624 HD11 LEU 80 HD11 LEU 80 7.365 5.770 -11.160 625 HD12 LEU 80 HD12 LEU 80 8.105 6.315 -9.620 626 HD13 LEU 80 HD13 LEU 80 7.795 4.582 -9.930 627 HD21 LEU 80 HD21 LEU 80 6.645 4.466 -7.796 628 HD22 LEU 80 HD22 LEU 80 6.620 6.223 -7.478 629 HD23 LEU 80 HD23 LEU 80 5.099 5.315 -7.573 630 H GLN 81 H GLN 81 5.716 10.453 -10.240 631 HA GLN 81 HA GLN 81 3.095 10.912 -11.482 632 HB2 GLN 81 HB2 GLN 81 4.925 11.855 -9.316 633 HB3 GLN 81 HB3 GLN 81 3.999 13.157 -10.061 634 HG2 GLN 81 HG2 GLN 81 3.105 12.007 -7.977 635 HG3 GLN 81 HG3 GLN 81 1.973 12.265 -9.353 636 HE21 GLN 81 HE22 GLN 81 4.131 9.813 -7.912 637 HE22 GLN 81 HE21 GLN 81 3.102 8.452 -8.308 638 H TYR 82 H TYR 82 6.537 11.565 -11.933 639 HA TYR 82 HA TYR 82 6.179 14.011 -13.490 640 HB2 TYR 82 HB2 TYR 82 8.261 13.840 -12.444 641 HB3 TYR 82 HB3 TYR 82 8.409 12.118 -12.798 642 HD1 TYR 82 HD2 TYR 82 8.026 15.247 -14.881 643 HD2 TYR 82 HD1 TYR 82 9.991 11.474 -14.292 644 HE1 TYR 82 HE2 TYR 82 9.515 15.722 -16.812 645 HE2 TYR 82 HE1 TYR 82 11.612 12.019 -16.097 646 HH TYR 82 HH TYR 82 12.167 13.502 -17.754 647 H ARG 83 H ARG 83 7.543 10.829 -14.370 648 HA ARG 83 HA ARG 83 7.166 11.454 -17.212 649 HB2 ARG 83 HB2 ARG 83 8.463 9.542 -17.653 650 HB3 ARG 83 HB3 ARG 83 9.225 10.341 -16.303 651 HG2 ARG 83 HG2 ARG 83 7.253 8.137 -15.758 652 HG3 ARG 83 HG3 ARG 83 8.883 7.722 -16.321 653 HD2 ARG 83 HD2 ARG 83 8.510 9.616 -13.996 654 HD3 ARG 83 HD3 ARG 83 8.439 7.847 -13.786 655 HE ARG 83 HE ARG 83 10.793 9.258 -15.005 656 HH11 ARG 83 HH11 ARG 83 9.436 6.892 -12.759 657 HH12 ARG 83 HH12 ARG 83 11.000 6.436 -12.113 658 HH21 ARG 83 HH21 ARG 83 12.820 8.711 -14.045 659 HH22 ARG 83 HH22 ARG 83 12.896 7.437 -12.861 660 H LEU 84 H LEU 84 5.209 10.368 -14.821 661 HA LEU 84 HA LEU 84 3.425 8.720 -16.450 662 HB2 LEU 84 HB2 LEU 84 3.507 8.460 -14.019 663 HB3 LEU 84 HB3 LEU 84 3.187 10.135 -13.750 664 HG LEU 84 HG LEU 84 0.936 9.985 -14.661 665 HD11 LEU 84 HD11 LEU 84 1.519 7.013 -14.971 666 HD12 LEU 84 HD12 LEU 84 -0.082 7.781 -15.130 667 HD13 LEU 84 HD13 LEU 84 1.202 8.162 -16.294 668 HD21 LEU 84 HD21 LEU 84 1.530 7.849 -12.583 669 HD22 LEU 84 HD22 LEU 84 1.458 9.594 -12.263 670 HD23 LEU 84 HD23 LEU 84 -0.002 8.732 -12.796 671 H GLU 85 H GLU 85 3.968 12.178 -15.820 672 HA GLU 85 HA GLU 85 1.236 12.828 -16.663 673 HB2 GLU 85 HB2 GLU 85 1.537 14.816 -15.640 674 HB3 GLU 85 HB3 GLU 85 2.763 13.871 -14.756 675 HG2 GLU 85 HG2 GLU 85 4.527 14.784 -16.221 676 HG3 GLU 85 HG3 GLU 85 3.301 15.615 -17.176 677 H LEU 86 H LEU 86 4.276 12.411 -18.199 678 HA LEU 86 HA LEU 86 3.513 14.352 -20.317 679 HB2 LEU 86 HB2 LEU 86 5.802 14.594 -20.818 680 HB3 LEU 86 HB3 LEU 86 5.704 14.517 -19.043 681 HG LEU 86 HG LEU 86 6.213 11.954 -19.418 682 HD11 LEU 86 HD11 LEU 86 7.621 11.539 -21.371 683 HD12 LEU 86 HD12 LEU 86 6.075 12.151 -21.979 684 HD13 LEU 86 HD13 LEU 86 7.458 13.233 -21.902 685 HD21 LEU 86 HD21 LEU 86 7.678 13.581 -18.252 686 HD22 LEU 86 HD22 LEU 86 8.628 12.481 -19.282 687 HD23 LEU 86 HD23 LEU 86 8.308 14.142 -19.814 688 H ALA 87 H ALA 87 4.444 10.963 -19.698 689 HA ALA 87 HA ALA 87 4.646 9.970 -22.239 690 HB1 ALA 87 HB1 ALA 87 3.471 8.800 -19.672 691 HB2 ALA 87 HB2 ALA 87 4.006 7.835 -21.061 692 HB3 ALA 87 HB3 ALA 87 5.185 8.812 -20.139 693 H GLN 88 H GLN 88 1.645 9.816 -20.156 694 HA GLN 88 HA GLN 88 -0.045 9.067 -22.308 695 HB2 GLN 88 HB2 GLN 88 -1.873 9.799 -20.861 696 HB3 GLN 88 HB3 GLN 88 -0.749 8.649 -20.087 697 HG2 GLN 88 HG2 GLN 88 0.377 10.491 -18.934 698 HG3 GLN 88 HG3 GLN 88 -0.776 11.654 -19.616 699 HE21 GLN 88 HE22 GLN 88 -0.089 10.065 -16.851 700 HE22 GLN 88 HE21 GLN 88 -1.694 9.800 -16.194 701 H GLY 89 H GLY 89 1.287 12.135 -21.465 702 HA2 GLY 89 HA2 GLY 89 -0.736 13.713 -22.882 703 HA3 GLY 89 HA3 GLY 89 0.753 14.289 -22.104 704 H ALA 90 H ALA 90 1.518 11.590 -23.906 705 HA ALA 90 HA ALA 90 1.985 13.038 -26.460 706 HB1 ALA 90 HB1 ALA 90 3.885 11.207 -24.960 707 HB2 ALA 90 HB2 ALA 90 4.171 11.902 -26.574 708 HB3 ALA 90 HB3 ALA 90 4.064 12.971 -25.155 709 H VAL 91 H VAL 91 0.347 10.606 -24.949 710 HA VAL 91 HA VAL 91 0.853 8.465 -26.941 711 HB VAL 91 HB VAL 91 -0.168 8.613 -24.150 712 HG11 VAL 91 HG11 VAL 91 -0.154 6.143 -25.977 713 HG12 VAL 91 HG12 VAL 91 0.031 6.080 -24.234 714 HG13 VAL 91 HG13 VAL 91 -1.519 6.675 -24.933 715 HG21 VAL 91 HG21 VAL 91 2.191 8.584 -24.827 716 HG22 VAL 91 HG22 VAL 91 1.649 7.181 -23.845 717 HG23 VAL 91 HG23 VAL 91 1.891 7.009 -25.622 718 H GLY 92 H GLY 92 -0.895 7.222 -27.713 719 HA2 GLY 92 HA2 GLY 92 -2.998 6.826 -28.496 720 HA3 GLY 92 HA3 GLY 92 -3.590 8.289 -27.661 721 H SER 93 H SER 93 -0.965 9.443 -29.193 722 HA SER 93 HA SER 93 -2.346 10.788 -31.302 723 HB2 SER 93 HB2 SER 93 0.629 10.328 -30.864 724 HB3 SER 93 HB3 SER 93 -0.091 11.566 -31.908 725 HG SER 93 HG SER 93 0.467 12.349 -29.810 726 H VAL 94 H VAL 94 -1.300 10.767 -33.582 727 HA VAL 94 HA VAL 94 -1.383 9.750 -35.586 728 HB VAL 94 HB VAL 94 0.459 7.770 -34.221 729 HG11 VAL 94 HG11 VAL 94 1.415 7.544 -36.510 730 HG12 VAL 94 HG12 VAL 94 -0.287 7.040 -36.489 731 HG13 VAL 94 HG13 VAL 94 0.154 8.636 -37.138 732 HG21 VAL 94 HG21 VAL 94 0.973 10.433 -35.611 733 HG22 VAL 94 HG22 VAL 94 1.167 10.102 -33.873 734 HG23 VAL 94 HG23 VAL 94 2.236 9.313 -35.045 735 H GLN 95 H GLN 95 -3.592 9.390 -35.395 736 HA GLN 95 HA GLN 95 -4.386 6.556 -34.981 737 HB2 GLN 95 HB2 GLN 95 -6.413 7.396 -33.857 738 HB3 GLN 95 HB3 GLN 95 -4.938 7.950 -33.036 739 HG2 GLN 95 HG2 GLN 95 -5.162 10.090 -34.511 740 HG3 GLN 95 HG3 GLN 95 -6.820 9.552 -34.798 741 HE21 GLN 95 HE22 GLN 95 -4.483 10.793 -32.480 742 HE22 GLN 95 HE21 GLN 95 -5.632 11.164 -31.209 743 H ILE 96 H ILE 96 -3.944 8.722 -37.301 744 HA ILE 96 HA ILE 96 -6.053 7.581 -38.960 745 HB ILE 96 HB ILE 96 -7.002 9.634 -37.957 746 HG12 ILE 96 HG12 ILE 96 -7.863 10.693 -39.933 747 HG13 ILE 96 HG13 ILE 96 -6.575 10.041 -40.945 748 HG21 ILE 96 HG21 ILE 96 -4.818 11.137 -39.449 749 HG22 ILE 96 HG22 ILE 96 -6.169 11.846 -38.538 750 HG23 ILE 96 HG23 ILE 96 -4.918 10.927 -37.687 751 HD11 ILE 96 HD11 ILE 96 -7.389 7.745 -40.531 752 HD12 ILE 96 HD12 ILE 96 -8.639 8.381 -39.429 753 HD13 ILE 96 HD13 ILE 96 -8.691 8.760 -41.164 754 HA PRO 97 HA PRO 97 -1.771 8.647 -40.825 755 HB2 PRO 97 HB2 PRO 97 -0.462 6.247 -40.749 756 HB3 PRO 97 HB3 PRO 97 -0.473 7.379 -39.354 757 HG2 PRO 97 HG2 PRO 97 -2.289 4.994 -39.813 758 HG3 PRO 97 HG3 PRO 97 -1.317 5.377 -38.353 759 HD2 PRO 97 HD2 PRO 97 -3.936 6.057 -38.521 760 HD3 PRO 97 HD3 PRO 97 -2.738 7.161 -37.766 761 H VAL 98 H VAL 98 -0.883 7.748 -42.879 762 HA VAL 98 HA VAL 98 -2.971 6.673 -44.584 763 HB VAL 98 HB VAL 98 -1.432 8.418 -45.333 764 HG11 VAL 98 HG11 VAL 98 0.663 7.544 -44.210 765 HG12 VAL 98 HG12 VAL 98 0.763 6.314 -45.496 766 HG13 VAL 98 HG13 VAL 98 0.853 8.024 -45.911 767 HG21 VAL 98 HG21 VAL 98 -2.596 6.949 -46.930 768 HG22 VAL 98 HG22 VAL 98 -1.026 7.492 -47.561 769 HG23 VAL 98 HG23 VAL 98 -1.198 5.843 -46.935 770 H VAL 99 H VAL 99 -3.152 4.815 -43.026 771 HA VAL 99 HA VAL 99 -1.201 2.808 -42.898 772 HB VAL 99 HB VAL 99 -3.163 3.498 -41.359 773 HG11 VAL 99 HG11 VAL 99 -4.738 1.587 -43.119 774 HG12 VAL 99 HG12 VAL 99 -5.294 2.413 -41.649 775 HG13 VAL 99 HG13 VAL 99 -4.924 3.356 -43.108 776 HG21 VAL 99 HG21 VAL 99 -3.366 1.310 -40.394 777 HG22 VAL 99 HG22 VAL 99 -2.757 0.547 -41.893 778 HG23 VAL 99 HG23 VAL 99 -1.700 1.624 -40.933 779 H GLU 100 H GLU 100 -1.897 3.571 -45.571 780 HA GLU 100 HA GLU 100 -3.339 1.722 -47.086 781 HB2 GLU 100 HB2 GLU 100 -2.565 3.868 -47.898 782 HB3 GLU 100 HB3 GLU 100 -0.861 3.410 -47.660 783 HG2 GLU 100 HG2 GLU 100 -0.926 1.778 -49.381 784 HG3 GLU 100 HG3 GLU 100 -2.700 1.907 -49.421 785 H VAL 101 H VAL 101 -2.809 -0.097 -48.199 786 HA VAL 101 HA VAL 101 -0.133 -1.337 -47.865 787 HB VAL 101 HB VAL 101 -2.761 -2.809 -47.462 788 HG11 VAL 101 HG11 VAL 101 0.144 -3.685 -47.172 789 HG12 VAL 101 HG12 VAL 101 -1.275 -4.678 -46.777 790 HG13 VAL 101 HG13 VAL 101 -0.982 -4.200 -48.456 791 HG21 VAL 101 HG21 VAL 101 -2.299 -1.383 -45.528 792 HG22 VAL 101 HG22 VAL 101 -2.012 -3.085 -45.113 793 HG23 VAL 101 HG23 VAL 101 -0.631 -2.007 -45.440 794 H ASP 102 H ASP 102 0.593 -2.149 -49.766 795 HA ASP 102 HA ASP 102 -1.266 -2.931 -51.873 796 HB2 ASP 102 HB2 ASP 102 -1.095 -0.457 -52.085 797 HB3 ASP 102 HB3 ASP 102 0.660 -0.579 -52.212 798 H GLU 103 H GLU 103 0.751 -4.129 -50.166 799 HA GLU 103 HA GLU 103 2.332 -5.500 -52.239 800 HB2 GLU 103 HB2 GLU 103 3.582 -3.412 -51.064 801 HB3 GLU 103 HB3 GLU 103 3.848 -4.604 -49.797 802 HG2 GLU 103 HG2 GLU 103 4.885 -6.130 -51.504 803 HG3 GLU 103 HG3 GLU 103 4.580 -4.894 -52.730 804 H LEU 104 H LEU 104 3.971 -6.926 -50.560 805 HA LEU 104 HA LEU 104 2.544 -9.013 -49.420 806 HB2 LEU 104 HB2 LEU 104 5.230 -7.737 -48.965 807 HB3 LEU 104 HB3 LEU 104 4.781 -9.256 -48.121 808 HG LEU 104 HG LEU 104 4.421 -9.326 -51.058 809 HD11 LEU 104 HD11 LEU 104 6.809 -9.983 -51.305 810 HD12 LEU 104 HD12 LEU 104 6.681 -8.276 -50.814 811 HD13 LEU 104 HD13 LEU 104 7.113 -9.523 -49.616 812 HD21 LEU 104 HD21 LEU 104 3.826 -11.094 -49.365 813 HD22 LEU 104 HD22 LEU 104 5.183 -11.657 -50.401 814 HD23 LEU 104 HD23 LEU 104 5.481 -11.002 -48.757 815 HA PRO 105 HA PRO 105 1.359 -8.167 -45.211 816 HB2 PRO 105 HB2 PRO 105 3.479 -10.244 -44.595 817 HB3 PRO 105 HB3 PRO 105 1.820 -10.117 -43.924 818 HG2 PRO 105 HG2 PRO 105 2.239 -11.880 -45.871 819 HG3 PRO 105 HG3 PRO 105 0.855 -10.735 -46.052 820 HD2 PRO 105 HD2 PRO 105 3.662 -10.464 -47.179 821 HD3 PRO 105 HD3 PRO 105 2.142 -10.325 -48.093 822 H GLU 106 H GLU 106 2.182 -7.381 -43.130 823 HA GLU 106 HA GLU 106 4.329 -5.493 -43.564 824 HB2 GLU 106 HB2 GLU 106 2.090 -5.152 -42.336 825 HB3 GLU 106 HB3 GLU 106 2.799 -6.047 -40.988 826 HG2 GLU 106 HG2 GLU 106 2.969 -3.600 -40.678 827 HG3 GLU 106 HG3 GLU 106 4.570 -4.320 -40.779 828 H GLY 107 H GLY 107 4.837 -8.547 -43.270 829 HA2 GLY 107 HA2 GLY 107 7.335 -8.343 -41.890 830 HA3 GLY 107 HA3 GLY 107 6.127 -9.074 -40.820 831 H TYR 108 H TYR 108 6.337 -9.544 -44.442 832 HA TYR 108 HA TYR 108 5.974 -12.263 -44.375 833 HB2 TYR 108 HB2 TYR 108 5.893 -10.411 -46.165 834 HB3 TYR 108 HB3 TYR 108 7.627 -10.682 -46.362 835 HD1 TYR 108 HD2 TYR 108 4.271 -12.185 -46.498 836 HD2 TYR 108 HD1 TYR 108 8.387 -12.644 -47.652 837 HE1 TYR 108 HE2 TYR 108 3.577 -13.689 -48.283 838 HE2 TYR 108 HE1 TYR 108 7.731 -14.372 -49.312 839 HH TYR 108 HH TYR 108 5.986 -15.482 -50.319 840 H ASP 109 H ASP 109 7.425 -13.938 -45.083 841 HA ASP 109 HA ASP 109 10.289 -13.479 -44.918 842 HB2 ASP 109 HB2 ASP 109 9.579 -13.979 -42.545 843 HB3 ASP 109 HB3 ASP 109 8.964 -15.538 -43.097 844 H ARG 110 H ARG 110 11.474 -15.519 -45.652 845 HA ARG 110 HA ARG 110 10.187 -16.409 -48.058 846 HB2 ARG 110 HB2 ARG 110 12.665 -15.895 -47.610 847 HB3 ARG 110 HB3 ARG 110 12.760 -17.506 -46.881 848 HG2 ARG 110 HG2 ARG 110 11.957 -18.493 -49.031 849 HG3 ARG 110 HG3 ARG 110 11.832 -16.857 -49.718 850 HD2 ARG 110 HD2 ARG 110 14.259 -16.532 -49.365 851 HD3 ARG 110 HD3 ARG 110 14.373 -18.173 -48.679 852 HE ARG 110 HE ARG 110 13.183 -18.349 -51.252 853 HH11 ARG 110 HH11 ARG 110 16.299 -17.564 -49.772 854 HH12 ARG 110 HH12 ARG 110 17.222 -18.085 -51.162 855 HH21 ARG 110 HH21 ARG 110 14.413 -19.029 -53.039 856 HH22 ARG 110 HH22 ARG 110 16.162 -18.915 -53.005 857 H SER 111 H SER 111 9.888 -17.596 -44.899 858 HA SER 111 HA SER 111 8.718 -20.107 -45.888 859 HB2 SER 111 HB2 SER 111 10.003 -21.485 -44.304 860 HB3 SER 111 HB3 SER 111 11.056 -20.719 -45.505 861 HG SER 111 HG SER 111 11.882 -20.503 -43.380 862 H1 ALA 701 H1 ALA 701 18.959 16.200 -17.416 863 H2 ALA 701 H2 ALA 701 19.731 17.605 -17.781 864 H3 ALA 701 H3 ALA 701 18.323 17.212 -18.546 865 HA ALA 701 HA ALA 701 17.894 18.890 -16.959 866 HB1 ALA 701 HB1 ALA 701 16.831 16.200 -16.022 867 HB2 ALA 701 HB2 ALA 701 16.091 17.789 -15.733 868 HB3 ALA 701 HB3 ALA 701 16.170 17.144 -17.381 869 H ASP 702 H ASP 702 17.155 18.233 -14.254 870 HA ASP 702 HA ASP 702 19.701 17.716 -12.870 871 HB2 ASP 702 HB2 ASP 702 19.651 20.136 -13.482 872 HB3 ASP 702 HB3 ASP 702 18.140 20.318 -12.580 873 H THR 703 H THR 703 17.405 16.138 -13.027 874 HA THR 703 HA THR 703 16.261 16.358 -10.275 875 HB THR 703 HB THR 703 14.652 17.350 -11.767 876 HG1 THR 703 HG1 THR 703 12.983 15.948 -11.256 877 HG21 THR 703 HG21 THR 703 14.928 14.749 -13.334 878 HG22 THR 703 HG22 THR 703 13.616 15.936 -13.577 879 HG23 THR 703 HG23 THR 703 15.300 16.383 -13.905 880 H GLU 704 H GLU 704 15.629 14.464 -9.312 881 HA GLU 704 HA GLU 704 17.376 12.271 -9.875 882 HB2 GLU 704 HB2 GLU 704 16.183 11.203 -7.974 883 HB3 GLU 704 HB3 GLU 704 16.807 12.822 -7.618 884 HG2 GLU 704 HG2 GLU 704 14.594 13.806 -7.961 885 HG3 GLU 704 HG3 GLU 704 13.933 12.230 -8.417 886 H MET 705 H MET 705 14.146 13.009 -11.015 887 HA MET 705 HA MET 705 13.375 10.315 -11.632 888 HB2 MET 705 HB2 MET 705 11.927 11.412 -13.382 889 HB3 MET 705 HB3 MET 705 11.681 11.790 -11.680 890 HG2 MET 705 HG2 MET 705 13.368 13.788 -12.228 891 HG3 MET 705 HG3 MET 705 12.837 13.523 -13.885 892 HE1 MET 705 HE1 MET 705 11.504 13.507 -10.327 893 HE2 MET 705 HE2 MET 705 9.929 14.354 -10.382 894 HE3 MET 705 HE3 MET 705 10.110 12.753 -11.132 895 H GLU 706 H GLU 706 15.831 12.411 -12.890 896 HA GLU 706 HA GLU 706 15.952 10.842 -15.395 897 HB2 GLU 706 HB2 GLU 706 15.908 13.448 -15.259 898 HB3 GLU 706 HB3 GLU 706 17.623 13.294 -14.838 899 HG2 GLU 706 HG2 GLU 706 17.905 11.870 -16.925 900 HG3 GLU 706 HG3 GLU 706 16.198 12.184 -17.299 901 H GLU 707 H GLU 707 16.770 10.165 -12.511 902 HA GLU 707 HA GLU 707 19.460 9.104 -13.177 903 HB2 GLU 707 HB2 GLU 707 18.494 10.134 -10.471 904 HB3 GLU 707 HB3 GLU 707 20.046 9.327 -10.775 905 HG2 GLU 707 HG2 GLU 707 20.618 11.127 -12.415 906 HG3 GLU 707 HG3 GLU 707 19.131 11.980 -11.960 907 H VAL 708 H VAL 708 16.802 8.167 -13.560 908 HA VAL 708 HA VAL 708 15.632 6.349 -13.696 909 HB VAL 708 HB VAL 708 16.650 4.369 -13.994 910 HG11 VAL 708 HG11 VAL 708 18.762 4.932 -15.192 911 HG12 VAL 708 HG12 VAL 708 17.503 6.170 -15.465 912 HG13 VAL 708 HG13 VAL 708 18.854 6.462 -14.329 913 HG21 VAL 708 HG21 VAL 708 18.957 5.163 -12.199 914 HG22 VAL 708 HG22 VAL 708 17.720 3.900 -11.877 915 HG23 VAL 708 HG23 VAL 708 18.873 3.705 -13.203 916 H ASP 709 H ASP 709 17.372 5.913 -10.520 917 HA ASP 709 HA ASP 709 14.881 4.538 -9.664 918 HB2 ASP 709 HB2 ASP 709 16.189 3.306 -8.030 919 HB3 ASP 709 HB3 ASP 709 16.623 2.936 -9.680 Start of MODEL 12 1 H1 SER 2 H1 SER 2 22.677 -13.553 -5.360 2 H2 SER 2 H2 SER 2 21.609 -14.562 -4.619 3 H3 SER 2 H3 SER 2 22.341 -13.363 -3.760 4 HA SER 2 HA SER 2 20.459 -12.970 -5.975 5 HB2 SER 2 HB2 SER 2 19.381 -13.842 -3.922 6 HB3 SER 2 HB3 SER 2 20.084 -12.503 -2.988 7 HG SER 2 HG SER 2 17.942 -12.072 -3.697 8 H GLN 3 H GLN 3 20.230 -10.900 -6.720 9 HA GLN 3 HA GLN 3 21.592 -8.673 -5.328 10 HB2 GLN 3 HB2 GLN 3 22.163 -9.519 -8.202 11 HB3 GLN 3 HB3 GLN 3 22.679 -7.991 -7.465 12 HG2 GLN 3 HG2 GLN 3 23.961 -9.280 -5.756 13 HG3 GLN 3 HG3 GLN 3 23.527 -10.784 -6.584 14 HE21 GLN 3 HE22 GLN 3 26.207 -10.019 -6.176 15 HE22 GLN 3 HE21 GLN 3 26.924 -9.656 -7.733 16 H PHE 4 H PHE 4 21.141 -6.567 -6.653 17 HA PHE 4 HA PHE 4 18.710 -6.540 -8.281 18 HB2 PHE 4 HB2 PHE 4 17.725 -6.664 -6.029 19 HB3 PHE 4 HB3 PHE 4 18.847 -5.441 -5.435 20 HD1 PHE 4 HD1 PHE 4 18.631 -3.000 -6.295 21 HD2 PHE 4 HD2 PHE 4 15.666 -6.051 -7.037 22 HE1 PHE 4 HE1 PHE 4 16.947 -1.270 -6.694 23 HE2 PHE 4 HE2 PHE 4 13.983 -4.283 -7.460 24 HZ PHE 4 HZ PHE 4 14.631 -1.879 -7.293 25 H GLU 5 H GLU 5 21.050 -4.939 -6.179 26 HA GLU 5 HA GLU 5 21.160 -2.381 -7.169 27 HB2 GLU 5 HB2 GLU 5 23.332 -4.296 -6.264 28 HB3 GLU 5 HB3 GLU 5 23.565 -2.561 -6.418 29 HG2 GLU 5 HG2 GLU 5 21.705 -2.134 -4.825 30 HG3 GLU 5 HG3 GLU 5 21.499 -3.876 -4.593 31 H LYS 6 H LYS 6 22.917 -5.334 -8.524 32 HA LYS 6 HA LYS 6 24.529 -3.597 -10.133 33 HB2 LYS 6 HB2 LYS 6 24.085 -6.530 -9.800 34 HB3 LYS 6 HB3 LYS 6 24.735 -6.014 -11.357 35 HG2 LYS 6 HG2 LYS 6 26.558 -6.552 -9.810 36 HG3 LYS 6 HG3 LYS 6 26.587 -4.854 -10.324 37 HD2 LYS 6 HD2 LYS 6 25.571 -4.175 -8.175 38 HD3 LYS 6 HD3 LYS 6 25.465 -5.887 -7.680 39 HE2 LYS 6 HE2 LYS 6 27.918 -6.086 -7.868 40 HE3 LYS 6 HE3 LYS 6 28.032 -4.401 -8.388 41 HZ1 LYS 6 HZ1 LYS 6 27.015 -5.301 -5.771 42 HZ2 LYS 6 HZ2 LYS 6 28.491 -4.638 -6.044 43 HZ3 LYS 6 HZ3 LYS 6 27.138 -3.733 -6.268 44 H GLN 7 H GLN 7 21.654 -5.670 -10.658 45 HA GLN 7 HA GLN 7 21.289 -5.312 -13.396 46 HB2 GLN 7 HB2 GLN 7 19.322 -5.581 -11.098 47 HB3 GLN 7 HB3 GLN 7 18.943 -5.939 -12.798 48 HG2 GLN 7 HG2 GLN 7 21.264 -7.315 -11.361 49 HG3 GLN 7 HG3 GLN 7 19.607 -7.858 -11.177 50 HE21 GLN 7 HE22 GLN 7 18.884 -9.326 -12.635 51 HE22 GLN 7 HE21 GLN 7 19.544 -9.544 -14.251 52 H LYS 8 H LYS 8 20.856 -3.141 -10.695 53 HA LYS 8 HA LYS 8 19.175 -1.233 -12.150 54 HB2 LYS 8 HB2 LYS 8 18.888 -1.877 -9.777 55 HB3 LYS 8 HB3 LYS 8 20.463 -1.187 -9.386 56 HG2 LYS 8 HG2 LYS 8 19.688 1.049 -9.897 57 HG3 LYS 8 HG3 LYS 8 18.197 0.410 -10.645 58 HD2 LYS 8 HD2 LYS 8 17.726 1.130 -8.313 59 HD3 LYS 8 HD3 LYS 8 17.545 -0.617 -8.527 60 HE2 LYS 8 HE2 LYS 8 18.697 -0.198 -6.444 61 HE3 LYS 8 HE3 LYS 8 19.814 -0.949 -7.575 62 HZ1 LYS 8 HZ1 LYS 8 19.642 1.948 -7.025 63 HZ2 LYS 8 HZ2 LYS 8 20.778 0.946 -6.398 64 HZ3 LYS 8 HZ3 LYS 8 20.735 1.234 -8.019 65 H GLU 9 H GLU 9 22.360 -0.918 -10.388 66 HA GLU 9 HA GLU 9 22.932 1.542 -11.721 67 HB2 GLU 9 HB2 GLU 9 25.261 1.213 -10.840 68 HB3 GLU 9 HB3 GLU 9 23.953 1.315 -9.657 69 HG2 GLU 9 HG2 GLU 9 24.140 -0.845 -9.019 70 HG3 GLU 9 HG3 GLU 9 24.574 -1.400 -10.651 71 H GLN 10 H GLN 10 23.501 -1.803 -12.825 72 HA GLN 10 HA GLN 10 25.454 -1.001 -14.788 73 HB2 GLN 10 HB2 GLN 10 24.675 -3.449 -14.097 74 HB3 GLN 10 HB3 GLN 10 23.320 -3.138 -15.190 75 HG2 GLN 10 HG2 GLN 10 25.288 -2.415 -16.849 76 HG3 GLN 10 HG3 GLN 10 26.247 -3.466 -15.780 77 HE21 GLN 10 HE22 GLN 10 23.444 -3.283 -17.976 78 HE22 GLN 10 HE21 GLN 10 23.322 -4.998 -18.292 79 H GLY 11 H GLY 11 21.876 -1.107 -14.772 80 HA2 GLY 11 HA2 GLY 11 21.685 -0.149 -17.516 81 HA3 GLY 11 HA3 GLY 11 20.372 -0.369 -16.354 82 H ASN 12 H ASN 12 22.196 1.335 -14.384 83 HA ASN 12 HA ASN 12 20.792 3.790 -14.717 84 HB2 ASN 12 HB2 ASN 12 23.279 2.965 -13.224 85 HB3 ASN 12 HB3 ASN 12 22.915 4.679 -13.386 86 HD21 ASN 12 HD22 ASN 12 20.916 1.772 -12.594 87 HD22 ASN 12 HD21 ASN 12 20.380 2.390 -11.047 88 H SER 13 H SER 13 23.687 2.558 -16.363 89 HA SER 13 HA SER 13 24.070 5.340 -17.382 90 HB2 SER 13 HB2 SER 13 26.295 4.685 -18.009 91 HB3 SER 13 HB3 SER 13 26.008 4.325 -16.291 92 HG SER 13 HG SER 13 27.014 2.575 -17.378 93 H LEU 14 H LEU 14 23.386 1.950 -18.435 94 HA LEU 14 HA LEU 14 23.559 2.285 -21.212 95 HB2 LEU 14 HB2 LEU 14 21.576 0.765 -19.513 96 HB3 LEU 14 HB3 LEU 14 21.851 0.552 -21.243 97 HG LEU 14 HG LEU 14 23.503 -0.322 -18.929 98 HD11 LEU 14 HD11 LEU 14 23.224 -1.065 -21.826 99 HD12 LEU 14 HD12 LEU 14 23.972 -2.092 -20.555 100 HD13 LEU 14 HD13 LEU 14 22.215 -1.721 -20.491 101 HD21 LEU 14 HD21 LEU 14 25.192 1.253 -19.913 102 HD22 LEU 14 HD22 LEU 14 25.598 -0.430 -20.253 103 HD23 LEU 14 HD23 LEU 14 24.868 0.558 -21.527 104 H PHE 15 H PHE 15 20.949 3.233 -18.920 105 HA PHE 15 HA PHE 15 19.039 3.991 -20.906 106 HB2 PHE 15 HB2 PHE 15 18.180 3.626 -18.771 107 HB3 PHE 15 HB3 PHE 15 19.531 4.434 -17.981 108 HD1 PHE 15 HD2 PHE 15 16.556 5.252 -20.141 109 HD2 PHE 15 HD1 PHE 15 19.375 6.564 -17.178 110 HE1 PHE 15 HE2 PHE 15 15.239 7.329 -19.801 111 HE2 PHE 15 HE1 PHE 15 17.958 8.516 -16.676 112 HZ PHE 15 HZ PHE 15 15.930 8.962 -18.048 113 H LYS 16 H LYS 16 21.841 5.615 -19.454 114 HA LYS 16 HA LYS 16 20.917 8.188 -20.406 115 HB2 LYS 16 HB2 LYS 16 23.559 7.494 -19.088 116 HB3 LYS 16 HB3 LYS 16 22.745 9.083 -19.147 117 HG2 LYS 16 HG2 LYS 16 20.804 7.995 -17.912 118 HG3 LYS 16 HG3 LYS 16 21.802 6.542 -17.760 119 HD2 LYS 16 HD2 LYS 16 22.080 7.652 -15.753 120 HD3 LYS 16 HD3 LYS 16 23.578 8.012 -16.651 121 HE2 LYS 16 HE2 LYS 16 22.618 10.221 -17.294 122 HE3 LYS 16 HE3 LYS 16 21.107 9.797 -16.459 123 HZ1 LYS 16 HZ1 LYS 16 22.519 11.194 -15.116 124 HZ2 LYS 16 HZ2 LYS 16 22.279 9.745 -14.402 125 HZ3 LYS 16 HZ3 LYS 16 23.718 10.065 -15.132 126 H GLN 17 H GLN 17 22.571 5.584 -21.856 127 HA GLN 17 HA GLN 17 24.519 7.189 -23.369 128 HB2 GLN 17 HB2 GLN 17 23.878 4.231 -23.069 129 HB3 GLN 17 HB3 GLN 17 24.913 4.825 -24.364 130 HG2 GLN 17 HG2 GLN 17 26.308 6.025 -22.660 131 HG3 GLN 17 HG3 GLN 17 25.409 5.194 -21.388 132 HE21 GLN 17 HE22 GLN 17 25.231 2.727 -21.715 133 HE22 GLN 17 HE21 GLN 17 26.687 1.898 -22.233 134 H GLY 18 H GLY 18 21.343 5.657 -23.768 135 HA2 GLY 18 HA2 GLY 18 20.349 6.811 -25.947 136 HA3 GLY 18 HA3 GLY 18 21.627 5.746 -26.688 137 H LEU 19 H LEU 19 21.313 3.748 -24.629 138 HA LEU 19 HA LEU 19 19.362 2.298 -26.298 139 HB2 LEU 19 HB2 LEU 19 20.780 0.335 -25.277 140 HB3 LEU 19 HB3 LEU 19 21.164 1.196 -26.751 141 HG LEU 19 HG LEU 19 22.696 2.669 -25.124 142 HD11 LEU 19 HD11 LEU 19 22.416 0.053 -23.588 143 HD12 LEU 19 HD12 LEU 19 23.445 1.437 -23.151 144 HD13 LEU 19 HD13 LEU 19 21.668 1.574 -23.085 145 HD21 LEU 19 HD21 LEU 19 23.571 1.165 -26.872 146 HD22 LEU 19 HD22 LEU 19 24.532 1.044 -25.378 147 HD23 LEU 19 HD23 LEU 19 23.361 -0.229 -25.784 148 H TYR 20 H TYR 20 17.935 3.499 -24.938 149 HA TYR 20 HA TYR 20 17.341 3.182 -22.273 150 HB2 TYR 20 HB2 TYR 20 15.392 3.172 -24.586 151 HB3 TYR 20 HB3 TYR 20 15.071 3.847 -23.001 152 HD1 TYR 20 HD1 TYR 20 17.397 5.431 -22.354 153 HD2 TYR 20 HD2 TYR 20 15.505 4.878 -26.175 154 HE1 TYR 20 HE1 TYR 20 18.346 7.591 -23.141 155 HE2 TYR 20 HE2 TYR 20 16.448 7.025 -26.966 156 HH TYR 20 HH TYR 20 18.518 9.076 -24.872 157 H ARG 21 H ARG 21 16.544 0.934 -24.987 158 HA ARG 21 HA ARG 21 14.780 -0.698 -23.334 159 HB2 ARG 21 HB2 ARG 21 15.138 -0.310 -26.024 160 HB3 ARG 21 HB3 ARG 21 16.162 -1.729 -25.805 161 HG2 ARG 21 HG2 ARG 21 13.202 -1.401 -25.326 162 HG3 ARG 21 HG3 ARG 21 14.048 -2.507 -26.440 163 HD2 ARG 21 HD2 ARG 21 14.921 -3.764 -24.449 164 HD3 ARG 21 HD3 ARG 21 13.963 -2.670 -23.406 165 HE ARG 21 HE ARG 21 12.172 -3.738 -25.262 166 HH11 ARG 21 HH11 ARG 21 14.314 -4.979 -22.743 167 HH12 ARG 21 HH12 ARG 21 13.287 -6.349 -22.382 168 HH21 ARG 21 HH21 ARG 21 10.861 -5.531 -24.771 169 HH22 ARG 21 HH22 ARG 21 11.343 -6.668 -23.531 170 H GLU 22 H GLU 22 18.162 -0.922 -24.501 171 HA GLU 22 HA GLU 22 18.740 -3.477 -23.377 172 HB2 GLU 22 HB2 GLU 22 20.559 -1.098 -23.746 173 HB3 GLU 22 HB3 GLU 22 21.071 -2.787 -23.514 174 HG2 GLU 22 HG2 GLU 22 19.338 -1.765 -25.824 175 HG3 GLU 22 HG3 GLU 22 21.069 -2.093 -25.877 176 H ALA 23 H ALA 23 18.540 -0.223 -22.068 177 HA ALA 23 HA ALA 23 19.721 -0.796 -19.500 178 HB1 ALA 23 HB1 ALA 23 17.776 1.430 -20.259 179 HB2 ALA 23 HB2 ALA 23 18.943 1.414 -18.920 180 HB3 ALA 23 HB3 ALA 23 19.503 1.467 -20.614 181 H VAL 24 H VAL 24 16.322 -0.905 -20.816 182 HA VAL 24 HA VAL 24 15.177 -1.230 -18.252 183 HB VAL 24 HB VAL 24 13.224 -1.384 -19.243 184 HG11 VAL 24 HG11 VAL 24 14.306 -0.072 -21.681 185 HG12 VAL 24 HG12 VAL 24 12.882 0.303 -20.711 186 HG13 VAL 24 HG13 VAL 24 14.498 0.676 -20.062 187 HG21 VAL 24 HG21 VAL 24 12.600 -2.110 -21.452 188 HG22 VAL 24 HG22 VAL 24 14.235 -2.887 -21.545 189 HG23 VAL 24 HG23 VAL 24 13.094 -3.304 -20.238 190 H HIS 25 H HIS 25 16.573 -3.098 -20.689 191 HA HIS 25 HA HIS 25 15.500 -5.637 -20.281 192 HB2 HIS 25 HB2 HIS 25 17.193 -4.430 -22.014 193 HB3 HIS 25 HB3 HIS 25 18.355 -5.391 -21.167 194 HD2 HIS 25 HD2 HIS 25 16.724 -5.438 -24.188 195 HE1 HIS 25 HE1 HIS 25 15.785 -9.419 -23.024 196 HE2 HIS 25 HE2 HIS 25 15.895 -7.808 -24.988 197 H CYS 26 H CYS 26 17.450 -3.845 -18.174 198 HA CYS 26 HA CYS 26 18.207 -6.289 -16.638 199 HB2 CYS 26 HB2 CYS 26 19.645 -3.605 -16.782 200 HB3 CYS 26 HB3 CYS 26 20.071 -4.951 -15.709 201 HG CYS 26 HG CYS 26 20.392 -6.721 -17.619 202 H TYR 27 H TYR 27 16.808 -3.060 -16.745 203 HA TYR 27 HA TYR 27 16.049 -2.646 -14.037 204 HB2 TYR 27 HB2 TYR 27 14.785 -2.116 -16.731 205 HB3 TYR 27 HB3 TYR 27 14.115 -1.418 -15.326 206 HD1 TYR 27 HD1 TYR 27 17.538 -1.245 -14.579 207 HD2 TYR 27 HD2 TYR 27 14.578 0.445 -17.215 208 HE1 TYR 27 HE1 TYR 27 18.909 0.802 -14.819 209 HE2 TYR 27 HE2 TYR 27 15.920 2.478 -17.450 210 HH TYR 27 HH TYR 27 19.102 2.857 -15.813 211 H ASP 28 H ASP 28 14.728 -4.695 -16.646 212 HA ASP 28 HA ASP 28 12.155 -5.124 -15.541 213 HB2 ASP 28 HB2 ASP 28 12.829 -5.521 -17.889 214 HB3 ASP 28 HB3 ASP 28 13.804 -6.905 -17.363 215 H GLN 29 H GLN 29 15.330 -6.674 -14.891 216 HA GLN 29 HA GLN 29 14.059 -8.813 -13.426 217 HB2 GLN 29 HB2 GLN 29 16.960 -7.905 -13.566 218 HB3 GLN 29 HB3 GLN 29 16.373 -9.321 -12.664 219 HG2 GLN 29 HG2 GLN 29 16.809 -10.418 -14.593 220 HG3 GLN 29 HG3 GLN 29 15.199 -9.865 -15.030 221 HE21 GLN 29 HE22 GLN 29 14.993 -8.716 -16.918 222 HE22 GLN 29 HE21 GLN 29 16.330 -7.965 -17.771 223 H LEU 30 H LEU 30 14.770 -5.492 -12.667 224 HA LEU 30 HA LEU 30 15.077 -5.804 -9.802 225 HB2 LEU 30 HB2 LEU 30 13.778 -3.532 -11.338 226 HB3 LEU 30 HB3 LEU 30 14.471 -3.449 -9.708 227 HG LEU 30 HG LEU 30 15.875 -3.781 -12.338 228 HD11 LEU 30 HD11 LEU 30 16.136 -1.745 -10.099 229 HD12 LEU 30 HD12 LEU 30 17.043 -1.735 -11.629 230 HD13 LEU 30 HD13 LEU 30 15.268 -1.504 -11.633 231 HD21 LEU 30 HD21 LEU 30 17.000 -5.296 -10.752 232 HD22 LEU 30 HD22 LEU 30 18.002 -3.856 -11.006 233 HD23 LEU 30 HD23 LEU 30 17.034 -4.010 -9.516 234 H ILE 31 H ILE 31 12.349 -5.582 -12.097 235 HA ILE 31 HA ILE 31 10.384 -5.529 -9.955 236 HB ILE 31 HB ILE 31 9.890 -6.259 -12.880 237 HG12 ILE 31 HG12 ILE 31 9.055 -3.622 -12.516 238 HG13 ILE 31 HG13 ILE 31 10.581 -3.658 -11.623 239 HG21 ILE 31 HG21 ILE 31 8.313 -5.005 -10.626 240 HG22 ILE 31 HG22 ILE 31 7.674 -5.357 -12.256 241 HG23 ILE 31 HG23 ILE 31 8.160 -6.710 -11.190 242 HD11 ILE 31 HD11 ILE 31 10.884 -3.010 -13.999 243 HD12 ILE 31 HD12 ILE 31 11.721 -4.545 -13.601 244 HD13 ILE 31 HD13 ILE 31 10.181 -4.559 -14.505 245 H THR 32 H THR 32 11.851 -8.052 -12.075 246 HA THR 32 HA THR 32 10.014 -10.043 -11.033 247 HB THR 32 HB THR 32 12.707 -10.102 -12.478 248 HG1 THR 32 HG1 THR 32 10.951 -9.379 -13.683 249 HG21 THR 32 HG21 THR 32 10.932 -12.509 -11.928 250 HG22 THR 32 HG22 THR 32 12.334 -12.467 -13.035 251 HG23 THR 32 HG23 THR 32 12.580 -12.220 -11.299 252 H ALA 33 H ALA 33 13.109 -8.735 -9.903 253 HA ALA 33 HA ALA 33 13.429 -10.945 -8.014 254 HB1 ALA 33 HB1 ALA 33 14.851 -8.243 -8.216 255 HB2 ALA 33 HB2 ALA 33 15.365 -9.609 -7.218 256 HB3 ALA 33 HB3 ALA 33 15.400 -9.756 -8.990 257 H GLN 34 H GLN 34 12.051 -7.710 -8.149 258 HA GLN 34 HA GLN 34 10.892 -8.067 -5.489 259 HB2 GLN 34 HB2 GLN 34 13.226 -6.762 -5.753 260 HB3 GLN 34 HB3 GLN 34 12.207 -5.437 -6.239 261 HG2 GLN 34 HG2 GLN 34 11.187 -5.382 -4.007 262 HG3 GLN 34 HG3 GLN 34 11.811 -7.009 -3.658 263 HE21 GLN 34 HE22 GLN 34 13.778 -4.839 -5.503 264 HE22 GLN 34 HE21 GLN 34 15.053 -4.623 -4.350 265 HA PRO 35 HA PRO 35 8.215 -6.582 -8.924 266 HB2 PRO 35 HB2 PRO 35 6.144 -8.393 -8.303 267 HB3 PRO 35 HB3 PRO 35 7.461 -8.579 -9.485 268 HG2 PRO 35 HG2 PRO 35 7.178 -9.962 -6.884 269 HG3 PRO 35 HG3 PRO 35 8.273 -10.316 -8.263 270 HD2 PRO 35 HD2 PRO 35 9.006 -9.066 -5.840 271 HD3 PRO 35 HD3 PRO 35 9.978 -9.418 -7.291 272 H GLN 36 H GLN 36 8.034 -6.857 -5.658 273 HA GLN 36 HA GLN 36 6.033 -4.666 -5.521 274 HB2 GLN 36 HB2 GLN 36 7.088 -6.294 -3.171 275 HB3 GLN 36 HB3 GLN 36 5.792 -5.097 -3.141 276 HG2 GLN 36 HG2 GLN 36 4.335 -6.777 -3.518 277 HG3 GLN 36 HG3 GLN 36 5.023 -6.923 -5.148 278 HE21 GLN 36 HE22 GLN 36 6.843 -8.407 -5.452 279 HE22 GLN 36 HE21 GLN 36 7.108 -9.749 -4.350 280 H ASN 37 H ASN 37 8.393 -3.938 -6.591 281 HA ASN 37 HA ASN 37 9.302 -1.957 -4.580 282 HB2 ASN 37 HB2 ASN 37 11.472 -2.666 -4.674 283 HB3 ASN 37 HB3 ASN 37 10.861 -4.079 -5.518 284 HD21 ASN 37 HD22 ASN 37 10.807 -4.104 -7.809 285 HD22 ASN 37 HD21 ASN 37 11.996 -3.181 -8.720 286 HA PRO 38 HA PRO 38 8.047 0.556 -8.014 287 HB2 PRO 38 HB2 PRO 38 9.611 2.667 -6.786 288 HB3 PRO 38 HB3 PRO 38 7.826 2.579 -7.017 289 HG2 PRO 38 HG2 PRO 38 9.083 2.468 -4.534 290 HG3 PRO 38 HG3 PRO 38 7.596 1.533 -4.888 291 HD2 PRO 38 HD2 PRO 38 10.480 0.593 -4.996 292 HD3 PRO 38 HD3 PRO 38 9.026 -0.201 -4.289 293 H VAL 39 H VAL 39 11.547 1.337 -6.919 294 HA VAL 39 HA VAL 39 12.350 2.606 -9.091 295 HB VAL 39 HB VAL 39 14.282 2.344 -8.381 296 HG11 VAL 39 HG11 VAL 39 13.354 0.587 -6.158 297 HG12 VAL 39 HG12 VAL 39 14.837 1.604 -6.302 298 HG13 VAL 39 HG13 VAL 39 13.250 2.380 -6.282 299 HG21 VAL 39 HG21 VAL 39 14.126 -0.631 -8.667 300 HG22 VAL 39 HG22 VAL 39 14.875 0.593 -9.717 301 HG23 VAL 39 HG23 VAL 39 15.580 0.256 -8.113 302 H GLY 40 H GLY 40 11.742 -0.743 -8.878 303 HA2 GLY 40 HA2 GLY 40 12.766 -1.898 -11.293 304 HA3 GLY 40 HA3 GLY 40 11.352 -2.436 -10.468 305 H TYR 41 H TYR 41 9.481 -0.524 -10.759 306 HA TYR 41 HA TYR 41 8.839 -0.361 -13.565 307 HB2 TYR 41 HB2 TYR 41 7.767 0.934 -11.042 308 HB3 TYR 41 HB3 TYR 41 6.876 0.892 -12.517 309 HD1 TYR 41 HD2 TYR 41 6.325 -1.464 -13.524 310 HD2 TYR 41 HD1 TYR 41 7.542 -0.776 -9.470 311 HE1 TYR 41 HE2 TYR 41 5.355 -3.665 -12.875 312 HE2 TYR 41 HE1 TYR 41 6.593 -2.990 -8.800 313 HH TYR 41 HH TYR 41 5.488 -4.862 -9.496 314 H SER 42 H SER 42 10.544 1.637 -11.219 315 HA SER 42 HA SER 42 9.752 4.167 -12.399 316 HB2 SER 42 HB2 SER 42 12.020 3.698 -10.453 317 HB3 SER 42 HB3 SER 42 11.072 5.191 -10.727 318 HG SER 42 HG SER 42 9.952 2.770 -9.792 319 H ASN 43 H ASN 43 12.186 1.888 -13.262 320 HA ASN 43 HA ASN 43 13.607 4.078 -14.725 321 HB2 ASN 43 HB2 ASN 43 15.587 2.658 -14.693 322 HB3 ASN 43 HB3 ASN 43 15.072 3.235 -13.098 323 HD21 ASN 43 HD22 ASN 43 16.587 1.540 -12.389 324 HD22 ASN 43 HD21 ASN 43 15.946 -0.081 -12.183 325 H LYS 44 H LYS 44 12.345 0.733 -14.868 326 HA LYS 44 HA LYS 44 12.541 0.295 -17.698 327 HB2 LYS 44 HB2 LYS 44 11.946 -1.383 -16.067 328 HB3 LYS 44 HB3 LYS 44 10.459 -0.508 -15.654 329 HG2 LYS 44 HG2 LYS 44 9.600 -0.838 -17.943 330 HG3 LYS 44 HG3 LYS 44 11.123 -1.641 -18.411 331 HD2 LYS 44 HD2 LYS 44 10.712 -3.411 -16.757 332 HD3 LYS 44 HD3 LYS 44 9.216 -2.603 -16.234 333 HE2 LYS 44 HE2 LYS 44 8.287 -2.851 -18.520 334 HE3 LYS 44 HE3 LYS 44 9.772 -3.650 -19.045 335 HZ1 LYS 44 HZ1 LYS 44 7.948 -4.636 -16.946 336 HZ2 LYS 44 HZ2 LYS 44 8.049 -5.227 -18.475 337 HZ3 LYS 44 HZ3 LYS 44 9.316 -5.397 -17.454 338 H ALA 45 H ALA 45 10.584 2.491 -15.695 339 HA ALA 45 HA ALA 45 8.651 3.029 -17.843 340 HB1 ALA 45 HB1 ALA 45 9.168 4.411 -15.175 341 HB2 ALA 45 HB2 ALA 45 7.830 4.775 -16.283 342 HB3 ALA 45 HB3 ALA 45 7.926 3.185 -15.511 343 H MET 46 H MET 46 11.212 4.987 -16.158 344 HA MET 46 HA MET 46 10.948 7.281 -17.725 345 HB2 MET 46 HB2 MET 46 12.503 6.481 -15.629 346 HB3 MET 46 HB3 MET 46 13.706 6.484 -16.921 347 HG2 MET 46 HG2 MET 46 11.911 8.808 -16.118 348 HG3 MET 46 HG3 MET 46 13.618 8.612 -15.713 349 HE1 MET 46 HE1 MET 46 11.039 9.058 -18.677 350 HE2 MET 46 HE2 MET 46 11.300 10.584 -17.789 351 HE3 MET 46 HE3 MET 46 11.835 10.432 -19.475 352 H ALA 47 H ALA 47 12.611 4.236 -18.424 353 HA ALA 47 HA ALA 47 14.001 5.174 -20.767 354 HB1 ALA 47 HB1 ALA 47 14.280 2.731 -21.180 355 HB2 ALA 47 HB2 ALA 47 14.691 3.177 -19.510 356 HB3 ALA 47 HB3 ALA 47 13.131 2.401 -19.862 357 H LEU 48 H LEU 48 10.752 3.695 -20.204 358 HA LEU 48 HA LEU 48 10.167 3.277 -22.963 359 HB2 LEU 48 HB2 LEU 48 8.436 3.676 -20.503 360 HB3 LEU 48 HB3 LEU 48 7.755 3.362 -22.109 361 HG LEU 48 HG LEU 48 9.807 1.543 -20.813 362 HD11 LEU 48 HD11 LEU 48 6.765 1.401 -20.845 363 HD12 LEU 48 HD12 LEU 48 7.840 0.080 -20.310 364 HD13 LEU 48 HD13 LEU 48 7.795 1.622 -19.413 365 HD21 LEU 48 HD21 LEU 48 9.592 1.373 -23.278 366 HD22 LEU 48 HD22 LEU 48 9.015 -0.087 -22.451 367 HD23 LEU 48 HD23 LEU 48 7.844 1.085 -23.085 368 H ILE 49 H ILE 49 10.036 6.223 -20.951 369 HA ILE 49 HA ILE 49 8.463 7.757 -22.863 370 HB ILE 49 HB ILE 49 10.404 8.356 -20.588 371 HG12 ILE 49 HG12 ILE 49 8.379 9.704 -19.793 372 HG13 ILE 49 HG13 ILE 49 7.454 8.922 -21.079 373 HG21 ILE 49 HG21 ILE 49 9.195 10.407 -22.466 374 HG22 ILE 49 HG22 ILE 49 10.034 10.776 -20.951 375 HG23 ILE 49 HG23 ILE 49 10.934 10.011 -22.268 376 HD11 ILE 49 HD11 ILE 49 7.137 7.757 -18.969 377 HD12 ILE 49 HD12 ILE 49 8.047 6.699 -20.077 378 HD13 ILE 49 HD13 ILE 49 8.882 7.571 -18.755 379 H LYS 50 H LYS 50 11.994 7.391 -22.253 380 HA LYS 50 HA LYS 50 12.825 8.872 -24.516 381 HB2 LYS 50 HB2 LYS 50 13.903 7.386 -22.294 382 HB3 LYS 50 HB3 LYS 50 14.685 6.844 -23.782 383 HG2 LYS 50 HG2 LYS 50 15.922 8.749 -22.936 384 HG3 LYS 50 HG3 LYS 50 15.046 9.261 -24.397 385 HD2 LYS 50 HD2 LYS 50 14.746 10.990 -22.781 386 HD3 LYS 50 HD3 LYS 50 13.204 10.131 -22.806 387 HE2 LYS 50 HE2 LYS 50 13.646 9.071 -20.735 388 HE3 LYS 50 HE3 LYS 50 15.397 9.305 -20.897 389 HZ1 LYS 50 HZ1 LYS 50 15.074 11.647 -20.560 390 HZ2 LYS 50 HZ2 LYS 50 13.442 11.462 -20.451 391 HZ3 LYS 50 HZ3 LYS 50 14.418 10.813 -19.301 392 H LEU 51 H LEU 51 11.211 5.848 -24.405 393 HA LEU 51 HA LEU 51 12.229 5.040 -27.083 394 HB2 LEU 51 HB2 LEU 51 10.655 3.650 -24.893 395 HB3 LEU 51 HB3 LEU 51 10.869 2.980 -26.512 396 HG LEU 51 HG LEU 51 13.226 3.748 -24.733 397 HD11 LEU 51 HD11 LEU 51 11.894 1.030 -25.123 398 HD12 LEU 51 HD12 LEU 51 13.409 1.333 -24.243 399 HD13 LEU 51 HD13 LEU 51 11.883 1.991 -23.626 400 HD21 LEU 51 HD21 LEU 51 13.765 3.572 -27.127 401 HD22 LEU 51 HD22 LEU 51 14.451 2.211 -26.217 402 HD23 LEU 51 HD23 LEU 51 12.983 1.968 -27.189 403 H GLY 52 H GLY 52 9.793 6.734 -25.400 404 HA2 GLY 52 HA2 GLY 52 7.917 7.799 -26.046 405 HA3 GLY 52 HA3 GLY 52 8.234 7.331 -27.715 406 H GLU 53 H GLU 53 8.228 4.794 -25.425 407 HA GLU 53 HA GLU 53 5.561 3.771 -26.211 408 HB2 GLU 53 HB2 GLU 53 7.894 2.634 -24.584 409 HB3 GLU 53 HB3 GLU 53 6.440 1.708 -25.026 410 HG2 GLU 53 HG2 GLU 53 8.272 3.017 -27.093 411 HG3 GLU 53 HG3 GLU 53 8.546 1.393 -26.493 412 H TYR 54 H TYR 54 5.539 6.074 -25.002 413 HA TYR 54 HA TYR 54 5.116 6.389 -22.345 414 HB2 TYR 54 HB2 TYR 54 3.198 7.124 -24.561 415 HB3 TYR 54 HB3 TYR 54 3.270 7.903 -23.107 416 HD1 TYR 54 HD2 TYR 54 6.017 8.700 -22.610 417 HD2 TYR 54 HD1 TYR 54 4.110 8.213 -26.440 418 HE1 TYR 54 HE2 TYR 54 7.610 10.317 -23.622 419 HE2 TYR 54 HE1 TYR 54 5.735 9.764 -27.456 420 HH TYR 54 HH TYR 54 7.521 11.153 -27.104 421 H THR 55 H THR 55 2.999 4.590 -24.673 422 HA THR 55 HA THR 55 0.687 4.470 -23.094 423 HB THR 55 HB THR 55 1.570 2.068 -24.674 424 HG1 THR 55 HG1 THR 55 0.895 3.148 -26.545 425 HG21 THR 55 HG21 THR 55 -1.009 3.650 -24.341 426 HG22 THR 55 HG22 THR 55 -0.850 2.123 -25.257 427 HG23 THR 55 HG23 THR 55 -0.600 2.141 -23.495 428 H GLN 56 H GLN 56 3.584 2.425 -23.130 429 HA GLN 56 HA GLN 56 2.588 0.596 -21.078 430 HB2 GLN 56 HB2 GLN 56 5.367 1.034 -22.275 431 HB3 GLN 56 HB3 GLN 56 4.836 -0.377 -21.339 432 HG2 GLN 56 HG2 GLN 56 3.876 0.536 -24.094 433 HG3 GLN 56 HG3 GLN 56 4.826 -0.894 -23.736 434 HE21 GLN 56 HE22 GLN 56 1.676 0.606 -23.640 435 HE22 GLN 56 HE21 GLN 56 0.746 -0.838 -23.279 436 H ALA 57 H ALA 57 4.798 3.364 -21.347 437 HA ALA 57 HA ALA 57 5.971 3.315 -18.812 438 HB1 ALA 57 HB1 ALA 57 5.049 5.706 -20.493 439 HB2 ALA 57 HB2 ALA 57 6.304 5.735 -19.229 440 HB3 ALA 57 HB3 ALA 57 6.554 4.822 -20.747 441 H ILE 58 H ILE 58 2.813 4.653 -19.822 442 HA ILE 58 HA ILE 58 2.153 5.989 -17.396 443 HB ILE 58 HB ILE 58 0.443 4.630 -19.497 444 HG12 ILE 58 HG12 ILE 58 0.873 7.616 -19.229 445 HG13 ILE 58 HG13 ILE 58 2.101 6.642 -20.018 446 HG21 ILE 58 HG21 ILE 58 -0.355 6.744 -17.451 447 HG22 ILE 58 HG22 ILE 58 -1.366 6.163 -18.779 448 HG23 ILE 58 HG23 ILE 58 -0.909 5.049 -17.471 449 HD11 ILE 58 HD11 ILE 58 0.576 7.422 -21.719 450 HD12 ILE 58 HD12 ILE 58 0.349 5.676 -21.548 451 HD13 ILE 58 HD13 ILE 58 -0.837 6.794 -20.833 452 H GLN 59 H GLN 59 1.868 2.552 -18.441 453 HA GLN 59 HA GLN 59 0.294 1.735 -16.196 454 HB2 GLN 59 HB2 GLN 59 2.128 0.138 -18.027 455 HB3 GLN 59 HB3 GLN 59 0.847 -0.482 -16.967 456 HG2 GLN 59 HG2 GLN 59 0.605 1.169 -19.489 457 HG3 GLN 59 HG3 GLN 59 -0.075 -0.436 -19.136 458 HE21 GLN 59 HE22 GLN 59 -0.899 2.706 -19.563 459 HE22 GLN 59 HE21 GLN 59 -2.290 2.809 -18.492 460 H MET 60 H MET 60 3.770 1.937 -16.924 461 HA MET 60 HA MET 60 4.686 0.434 -14.596 462 HB2 MET 60 HB2 MET 60 6.113 2.555 -16.236 463 HB3 MET 60 HB3 MET 60 6.865 1.406 -15.108 464 HG2 MET 60 HG2 MET 60 5.599 0.806 -17.784 465 HG3 MET 60 HG3 MET 60 7.299 0.729 -17.340 466 HE1 MET 60 HE1 MET 60 4.221 -0.998 -18.008 467 HE2 MET 60 HE2 MET 60 4.126 -2.457 -16.981 468 HE3 MET 60 HE3 MET 60 3.761 -0.856 -16.295 469 H CYS 61 H CYS 61 4.223 3.960 -15.269 470 HA CYS 61 HA CYS 61 5.562 4.792 -12.888 471 HB2 CYS 61 HB2 CYS 61 3.483 6.197 -14.585 472 HB3 CYS 61 HB3 CYS 61 4.472 6.947 -13.312 473 HG CYS 61 HG CYS 61 5.489 5.326 -15.999 474 H GLN 62 H GLN 62 2.031 4.430 -13.635 475 HA GLN 62 HA GLN 62 1.211 4.962 -10.975 476 HB2 GLN 62 HB2 GLN 62 -0.921 3.934 -11.617 477 HB3 GLN 62 HB3 GLN 62 -0.326 5.136 -12.784 478 HG2 GLN 62 HG2 GLN 62 -0.705 3.598 -14.374 479 HG3 GLN 62 HG3 GLN 62 0.713 2.743 -13.751 480 HE21 GLN 62 HE22 GLN 62 0.438 0.884 -12.471 481 HE22 GLN 62 HE21 GLN 62 -1.111 0.093 -12.281 482 H GLN 63 H GLN 63 2.424 1.890 -12.342 483 HA GLN 63 HA GLN 63 1.563 0.138 -10.226 484 HB2 GLN 63 HB2 GLN 63 3.158 0.120 -12.623 485 HB3 GLN 63 HB3 GLN 63 4.206 -0.418 -11.316 486 HG2 GLN 63 HG2 GLN 63 3.193 -2.283 -12.384 487 HG3 GLN 63 HG3 GLN 63 2.568 -2.182 -10.715 488 HE21 GLN 63 HE22 GLN 63 1.828 -1.820 -14.174 489 HE22 GLN 63 HE21 GLN 63 0.085 -1.802 -13.990 490 H GLY 64 H GLY 64 4.571 2.150 -10.593 491 HA2 GLY 64 HA2 GLY 64 5.941 1.186 -8.411 492 HA3 GLY 64 HA3 GLY 64 5.979 2.870 -8.939 493 H LEU 65 H LEU 65 3.115 3.365 -8.438 494 HA LEU 65 HA LEU 65 3.335 4.304 -5.742 495 HB2 LEU 65 HB2 LEU 65 0.977 4.164 -7.654 496 HB3 LEU 65 HB3 LEU 65 0.999 5.111 -6.160 497 HG LEU 65 HG LEU 65 3.103 5.441 -8.319 498 HD11 LEU 65 HD11 LEU 65 0.754 5.818 -9.181 499 HD12 LEU 65 HD12 LEU 65 0.602 7.133 -7.992 500 HD13 LEU 65 HD13 LEU 65 1.835 7.218 -9.288 501 HD21 LEU 65 HD21 LEU 65 3.790 7.329 -7.138 502 HD22 LEU 65 HD22 LEU 65 2.172 7.633 -6.476 503 HD23 LEU 65 HD23 LEU 65 3.206 6.350 -5.793 504 H ARG 66 H ARG 66 2.658 1.175 -6.749 505 HA ARG 66 HA ARG 66 0.473 0.568 -4.897 506 HB2 ARG 66 HB2 ARG 66 2.383 -0.981 -6.703 507 HB3 ARG 66 HB3 ARG 66 1.062 -1.755 -5.852 508 HG2 ARG 66 HG2 ARG 66 -0.548 -0.213 -6.978 509 HG3 ARG 66 HG3 ARG 66 0.786 0.491 -7.904 510 HD2 ARG 66 HD2 ARG 66 -0.195 -1.195 -9.268 511 HD3 ARG 66 HD3 ARG 66 1.392 -1.782 -8.728 512 HE ARG 66 HE ARG 66 -0.258 -2.835 -6.835 513 HH11 ARG 66 HH11 ARG 66 -0.450 -2.870 -10.365 514 HH12 ARG 66 HH12 ARG 66 -1.278 -4.410 -10.424 515 HH21 ARG 66 HH21 ARG 66 -1.304 -4.846 -6.934 516 HH22 ARG 66 HH22 ARG 66 -1.760 -5.526 -8.480 517 H TYR 67 H TYR 67 3.814 0.966 -4.984 518 HA TYR 67 HA TYR 67 4.301 -0.732 -2.582 519 HB2 TYR 67 HB2 TYR 67 6.261 0.086 -4.735 520 HB3 TYR 67 HB3 TYR 67 6.412 -1.240 -3.579 521 HD1 TYR 67 HD1 TYR 67 4.476 -3.091 -3.783 522 HD2 TYR 67 HD2 TYR 67 5.547 -0.292 -6.867 523 HE1 TYR 67 HE1 TYR 67 3.494 -4.599 -5.469 524 HE2 TYR 67 HE2 TYR 67 4.396 -1.697 -8.543 525 HH TYR 67 HH TYR 67 2.926 -4.866 -7.696 526 H THR 68 H THR 68 4.286 2.566 -3.608 527 HA THR 68 HA THR 68 6.599 3.412 -2.076 528 HB THR 68 HB THR 68 5.699 5.725 -2.617 529 HG1 THR 68 HG1 THR 68 3.517 5.181 -2.779 530 HG21 THR 68 HG21 THR 68 7.321 4.754 -4.090 531 HG22 THR 68 HG22 THR 68 6.129 3.671 -4.811 532 HG23 THR 68 HG23 THR 68 6.025 5.428 -5.106 533 H SER 69 H SER 69 4.522 1.912 -0.598 534 HA SER 69 HA SER 69 2.958 3.616 1.054 535 HB2 SER 69 HB2 SER 69 4.075 0.817 1.494 536 HB3 SER 69 HB3 SER 69 2.834 1.591 2.491 537 HG SER 69 HG SER 69 1.521 1.724 0.637 538 H THR 70 H THR 70 6.220 3.744 0.936 539 HA THR 70 HA THR 70 6.457 4.485 3.806 540 HB THR 70 HB THR 70 7.205 2.216 3.783 541 HG1 THR 70 HG1 THR 70 9.380 2.535 4.329 542 HG21 THR 70 HG21 THR 70 8.858 3.006 1.349 543 HG22 THR 70 HG22 THR 70 9.070 1.484 2.253 544 HG23 THR 70 HG23 THR 70 7.543 1.816 1.424 545 H ALA 71 H ALA 71 8.375 5.773 4.296 546 HA ALA 71 HA ALA 71 8.682 7.856 2.313 547 HB1 ALA 71 HB1 ALA 71 9.914 8.988 4.100 548 HB2 ALA 71 HB2 ALA 71 8.393 8.315 4.717 549 HB3 ALA 71 HB3 ALA 71 9.936 7.487 5.059 550 H GLU 72 H GLU 72 10.473 4.926 2.727 551 HA GLU 72 HA GLU 72 12.971 6.084 1.749 552 HB2 GLU 72 HB2 GLU 72 13.580 3.728 1.350 553 HB3 GLU 72 HB3 GLU 72 13.016 4.010 3.015 554 HG2 GLU 72 HG2 GLU 72 10.747 3.190 2.289 555 HG3 GLU 72 HG3 GLU 72 11.453 2.759 0.732 556 H HIS 73 H HIS 73 9.893 5.499 0.463 557 HA HIS 73 HA HIS 73 10.964 5.243 -2.299 558 HB2 HIS 73 HB2 HIS 73 8.367 4.237 -1.096 559 HB3 HIS 73 HB3 HIS 73 8.749 4.206 -2.824 560 HD2 HIS 73 HD2 HIS 73 11.958 3.319 -1.600 561 HE1 HIS 73 HE1 HIS 73 9.914 -0.407 -1.524 562 HE2 HIS 73 HE2 HIS 73 12.202 0.716 -1.465 563 H VAL 74 H VAL 74 10.080 7.660 -0.394 564 HA VAL 74 HA VAL 74 7.897 8.873 -1.849 565 HB VAL 74 HB VAL 74 8.461 9.461 0.453 566 HG11 VAL 74 HG11 VAL 74 10.960 10.806 -0.628 567 HG12 VAL 74 HG12 VAL 74 10.401 10.731 1.060 568 HG13 VAL 74 HG13 VAL 74 10.954 9.258 0.244 569 HG21 VAL 74 HG21 VAL 74 8.939 11.769 -1.474 570 HG22 VAL 74 HG22 VAL 74 7.338 11.106 -1.059 571 HG23 VAL 74 HG23 VAL 74 8.331 11.899 0.198 572 H ALA 75 H ALA 75 11.389 8.823 -2.157 573 HA ALA 75 HA ALA 75 11.931 10.928 -3.939 574 HB1 ALA 75 HB1 ALA 75 12.977 8.055 -3.970 575 HB2 ALA 75 HB2 ALA 75 13.803 9.477 -4.637 576 HB3 ALA 75 HB3 ALA 75 13.566 9.341 -2.872 577 H ILE 76 H ILE 76 10.879 7.652 -4.431 578 HA ILE 76 HA ILE 76 10.797 7.467 -7.283 579 HB ILE 76 HB ILE 76 10.042 6.087 -4.724 580 HG12 ILE 76 HG12 ILE 76 12.378 6.215 -5.972 581 HG13 ILE 76 HG13 ILE 76 11.834 4.859 -5.049 582 HG21 ILE 76 HG21 ILE 76 9.241 4.903 -7.383 583 HG22 ILE 76 HG22 ILE 76 9.130 4.199 -5.721 584 HG23 ILE 76 HG23 ILE 76 8.141 5.573 -6.137 585 HD11 ILE 76 HD11 ILE 76 11.179 3.801 -7.276 586 HD12 ILE 76 HD12 ILE 76 11.471 5.382 -8.058 587 HD13 ILE 76 HD13 ILE 76 12.839 4.441 -7.402 588 H ARG 77 H ARG 77 8.458 7.962 -4.651 589 HA ARG 77 HA ARG 77 6.066 7.709 -6.156 590 HB2 ARG 77 HB2 ARG 77 6.321 7.858 -3.632 591 HB3 ARG 77 HB3 ARG 77 6.501 9.610 -3.843 592 HG2 ARG 77 HG2 ARG 77 4.256 9.395 -5.225 593 HG3 ARG 77 HG3 ARG 77 4.092 7.849 -4.367 594 HD2 ARG 77 HD2 ARG 77 4.427 9.021 -2.210 595 HD3 ARG 77 HD3 ARG 77 4.572 10.556 -3.081 596 HE ARG 77 HE ARG 77 2.117 9.031 -2.528 597 HH11 ARG 77 HH11 ARG 77 3.597 11.611 -4.432 598 HH12 ARG 77 HH12 ARG 77 2.068 12.366 -4.814 599 HH21 ARG 77 HH21 ARG 77 0.137 10.042 -3.028 600 HH22 ARG 77 HH22 ARG 77 0.113 11.480 -4.026 601 H SER 78 H SER 78 8.368 10.295 -5.831 602 HA SER 78 HA SER 78 6.859 12.379 -7.137 603 HB2 SER 78 HB2 SER 78 8.947 12.547 -5.626 604 HB3 SER 78 HB3 SER 78 9.870 11.945 -6.997 605 HG SER 78 HG SER 78 9.786 14.266 -6.869 606 H LYS 79 H LYS 79 8.824 9.647 -8.321 607 HA LYS 79 HA LYS 79 9.105 10.741 -11.019 608 HB2 LYS 79 HB2 LYS 79 9.575 7.952 -9.857 609 HB3 LYS 79 HB3 LYS 79 10.084 8.505 -11.458 610 HG2 LYS 79 HG2 LYS 79 11.502 10.240 -10.417 611 HG3 LYS 79 HG3 LYS 79 11.000 9.693 -8.800 612 HD2 LYS 79 HD2 LYS 79 11.974 7.480 -9.196 613 HD3 LYS 79 HD3 LYS 79 12.397 7.946 -10.869 614 HE2 LYS 79 HE2 LYS 79 13.687 9.853 -9.976 615 HE3 LYS 79 HE3 LYS 79 13.396 9.276 -8.319 616 HZ1 LYS 79 HZ1 LYS 79 14.811 7.766 -10.418 617 HZ2 LYS 79 HZ2 LYS 79 15.527 8.548 -9.165 618 HZ3 LYS 79 HZ3 LYS 79 14.548 7.265 -8.871 619 H LEU 80 H LEU 80 7.190 8.279 -9.338 620 HA LEU 80 HA LEU 80 5.909 7.099 -11.568 621 HB2 LEU 80 HB2 LEU 80 5.266 7.454 -8.637 622 HB3 LEU 80 HB3 LEU 80 4.190 6.555 -9.695 623 HG LEU 80 HG LEU 80 5.548 4.710 -9.772 624 HD11 LEU 80 HD11 LEU 80 8.087 6.310 -9.549 625 HD12 LEU 80 HD12 LEU 80 7.878 4.559 -9.818 626 HD13 LEU 80 HD13 LEU 80 7.355 5.695 -11.061 627 HD21 LEU 80 HD21 LEU 80 5.203 5.216 -7.394 628 HD22 LEU 80 HD22 LEU 80 6.775 4.418 -7.660 629 HD23 LEU 80 HD23 LEU 80 6.687 6.180 -7.386 630 H GLN 81 H GLN 81 5.498 10.249 -10.250 631 HA GLN 81 HA GLN 81 2.831 10.651 -11.424 632 HB2 GLN 81 HB2 GLN 81 4.695 11.662 -9.331 633 HB3 GLN 81 HB3 GLN 81 3.718 12.923 -10.068 634 HG2 GLN 81 HG2 GLN 81 2.890 11.802 -7.940 635 HG3 GLN 81 HG3 GLN 81 1.728 11.988 -9.300 636 HE21 GLN 81 HE22 GLN 81 4.042 9.630 -7.924 637 HE22 GLN 81 HE21 GLN 81 3.024 8.237 -8.245 638 H TYR 82 H TYR 82 6.285 11.439 -11.917 639 HA TYR 82 HA TYR 82 5.669 13.871 -13.432 640 HB2 TYR 82 HB2 TYR 82 7.627 13.975 -12.153 641 HB3 TYR 82 HB3 TYR 82 8.142 12.356 -12.631 642 HD1 TYR 82 HD2 TYR 82 9.089 11.908 -14.811 643 HD2 TYR 82 HD1 TYR 82 8.050 15.898 -13.655 644 HE1 TYR 82 HE2 TYR 82 10.765 12.815 -16.457 645 HE2 TYR 82 HE1 TYR 82 9.582 16.816 -15.386 646 HH TYR 82 HH TYR 82 11.130 16.334 -17.004 647 H ARG 83 H ARG 83 6.705 10.507 -14.242 648 HA ARG 83 HA ARG 83 6.766 11.325 -17.112 649 HB2 ARG 83 HB2 ARG 83 7.053 8.512 -16.128 650 HB3 ARG 83 HB3 ARG 83 7.569 9.239 -17.656 651 HG2 ARG 83 HG2 ARG 83 9.531 8.818 -16.499 652 HG3 ARG 83 HG3 ARG 83 9.289 10.548 -16.260 653 HD2 ARG 83 HD2 ARG 83 8.488 10.143 -13.966 654 HD3 ARG 83 HD3 ARG 83 8.307 8.412 -14.309 655 HE ARG 83 HE ARG 83 10.868 9.920 -13.969 656 HH11 ARG 83 HH11 ARG 83 9.103 6.861 -14.122 657 HH12 ARG 83 HH12 ARG 83 10.494 5.911 -13.633 658 HH21 ARG 83 HH21 ARG 83 12.684 8.621 -13.392 659 HH22 ARG 83 HH22 ARG 83 12.469 6.894 -13.205 660 H LEU 84 H LEU 84 4.749 10.115 -14.686 661 HA LEU 84 HA LEU 84 2.749 8.842 -16.351 662 HB2 LEU 84 HB2 LEU 84 3.132 8.321 -13.979 663 HB3 LEU 84 HB3 LEU 84 2.806 9.948 -13.504 664 HG LEU 84 HG LEU 84 0.436 9.736 -14.273 665 HD11 LEU 84 HD11 LEU 84 -0.411 7.491 -14.935 666 HD12 LEU 84 HD12 LEU 84 0.803 8.074 -16.092 667 HD13 LEU 84 HD13 LEU 84 1.247 6.848 -14.891 668 HD21 LEU 84 HD21 LEU 84 1.145 9.183 -11.962 669 HD22 LEU 84 HD22 LEU 84 -0.285 8.258 -12.492 670 HD23 LEU 84 HD23 LEU 84 1.312 7.479 -12.440 671 H GLU 85 H GLU 85 3.735 12.040 -15.759 672 HA GLU 85 HA GLU 85 1.083 13.082 -16.664 673 HB2 GLU 85 HB2 GLU 85 1.450 15.056 -15.590 674 HB3 GLU 85 HB3 GLU 85 2.130 13.832 -14.461 675 HG2 GLU 85 HG2 GLU 85 4.373 14.412 -15.124 676 HG3 GLU 85 HG3 GLU 85 3.766 15.458 -16.430 677 H LEU 86 H LEU 86 4.066 12.256 -17.866 678 HA LEU 86 HA LEU 86 3.845 14.352 -19.973 679 HB2 LEU 86 HB2 LEU 86 6.134 14.353 -20.220 680 HB3 LEU 86 HB3 LEU 86 5.935 14.077 -18.486 681 HG LEU 86 HG LEU 86 6.110 11.522 -19.203 682 HD11 LEU 86 HD11 LEU 86 7.643 12.980 -21.409 683 HD12 LEU 86 HD12 LEU 86 7.631 11.225 -21.128 684 HD13 LEU 86 HD13 LEU 86 6.163 12.044 -21.676 685 HD21 LEU 86 HD21 LEU 86 7.729 12.930 -17.785 686 HD22 LEU 86 HD22 LEU 86 8.391 11.534 -18.628 687 HD23 LEU 86 HD23 LEU 86 8.650 13.183 -19.280 688 H ALA 87 H ALA 87 4.266 10.807 -19.432 689 HA ALA 87 HA ALA 87 4.536 10.023 -22.077 690 HB1 ALA 87 HB1 ALA 87 3.326 8.647 -19.631 691 HB2 ALA 87 HB2 ALA 87 3.847 7.808 -21.105 692 HB3 ALA 87 HB3 ALA 87 5.040 8.658 -20.095 693 H GLN 88 H GLN 88 1.582 9.868 -19.987 694 HA GLN 88 HA GLN 88 -0.274 9.191 -22.018 695 HB2 GLN 88 HB2 GLN 88 -1.959 10.072 -20.434 696 HB3 GLN 88 HB3 GLN 88 -0.862 8.793 -19.842 697 HG2 GLN 88 HG2 GLN 88 0.478 10.404 -18.655 698 HG3 GLN 88 HG3 GLN 88 -0.424 11.751 -19.396 699 HE21 GLN 88 HE22 GLN 88 -0.854 8.778 -17.381 700 HE22 GLN 88 HE21 GLN 88 -2.145 9.402 -16.382 701 H GLY 89 H GLY 89 1.277 12.198 -21.345 702 HA2 GLY 89 HA2 GLY 89 -0.754 13.788 -22.813 703 HA3 GLY 89 HA3 GLY 89 0.646 14.404 -21.902 704 H ALA 90 H ALA 90 1.429 11.664 -23.769 705 HA ALA 90 HA ALA 90 2.346 13.251 -26.119 706 HB1 ALA 90 HB1 ALA 90 4.570 12.234 -25.842 707 HB2 ALA 90 HB2 ALA 90 4.149 13.151 -24.361 708 HB3 ALA 90 HB3 ALA 90 3.991 11.366 -24.408 709 H VAL 91 H VAL 91 1.266 10.225 -24.691 710 HA VAL 91 HA VAL 91 2.442 8.185 -26.041 711 HB VAL 91 HB VAL 91 -0.450 8.448 -25.907 712 HG11 VAL 91 HG11 VAL 91 0.482 6.394 -26.965 713 HG12 VAL 91 HG12 VAL 91 1.466 6.094 -25.511 714 HG13 VAL 91 HG13 VAL 91 -0.310 5.966 -25.427 715 HG21 VAL 91 HG21 VAL 91 1.314 7.807 -23.580 716 HG22 VAL 91 HG22 VAL 91 0.178 9.190 -23.848 717 HG23 VAL 91 HG23 VAL 91 -0.458 7.541 -23.651 718 H GLY 92 H GLY 92 -0.305 10.001 -27.230 719 HA2 GLY 92 HA2 GLY 92 0.131 8.980 -30.000 720 HA3 GLY 92 HA3 GLY 92 -1.468 9.280 -29.280 721 H SER 93 H SER 93 0.837 11.619 -28.363 722 HA SER 93 HA SER 93 0.973 13.857 -28.703 723 HB2 SER 93 HB2 SER 93 2.115 12.922 -30.733 724 HB3 SER 93 HB3 SER 93 0.609 13.182 -31.634 725 HG SER 93 HG SER 93 2.104 14.936 -31.768 726 H VAL 94 H VAL 94 -0.075 15.732 -30.204 727 HA VAL 94 HA VAL 94 -1.725 17.226 -30.077 728 HB VAL 94 HB VAL 94 -3.286 14.989 -31.403 729 HG11 VAL 94 HG11 VAL 94 -4.664 16.898 -30.583 730 HG12 VAL 94 HG12 VAL 94 -3.576 18.036 -31.387 731 HG13 VAL 94 HG13 VAL 94 -4.557 16.904 -32.358 732 HG21 VAL 94 HG21 VAL 94 -2.498 16.084 -33.489 733 HG22 VAL 94 HG22 VAL 94 -1.492 17.189 -32.527 734 HG23 VAL 94 HG23 VAL 94 -1.140 15.447 -32.536 735 H GLN 95 H GLN 95 -2.147 17.727 -28.012 736 HA GLN 95 HA GLN 95 -4.021 16.097 -26.488 737 HB2 GLN 95 HB2 GLN 95 -2.435 18.638 -25.908 738 HB3 GLN 95 HB3 GLN 95 -3.455 17.766 -24.745 739 HG2 GLN 95 HG2 GLN 95 -0.987 16.676 -26.184 740 HG3 GLN 95 HG3 GLN 95 -1.074 17.125 -24.479 741 HE21 GLN 95 HE22 GLN 95 -1.480 14.583 -26.754 742 HE22 GLN 95 HE21 GLN 95 -2.213 13.419 -25.671 743 H ILE 96 H ILE 96 -4.538 18.174 -28.924 744 HA ILE 96 HA ILE 96 -6.988 19.312 -27.725 745 HB ILE 96 HB ILE 96 -6.493 21.486 -28.871 746 HG12 ILE 96 HG12 ILE 96 -3.673 20.338 -29.128 747 HG13 ILE 96 HG13 ILE 96 -4.784 20.612 -30.480 748 HG21 ILE 96 HG21 ILE 96 -4.431 20.688 -26.779 749 HG22 ILE 96 HG22 ILE 96 -5.065 22.316 -27.087 750 HG23 ILE 96 HG23 ILE 96 -6.135 21.069 -26.434 751 HD11 ILE 96 HD11 ILE 96 -4.838 23.041 -29.914 752 HD12 ILE 96 HD12 ILE 96 -3.632 22.744 -28.630 753 HD13 ILE 96 HD13 ILE 96 -3.212 22.458 -30.330 754 HA PRO 97 HA PRO 97 -7.358 17.665 -32.152 755 HB2 PRO 97 HB2 PRO 97 -8.537 15.248 -31.792 756 HB3 PRO 97 HB3 PRO 97 -6.772 15.450 -31.589 757 HG2 PRO 97 HG2 PRO 97 -8.910 15.479 -29.437 758 HG3 PRO 97 HG3 PRO 97 -7.399 14.508 -29.473 759 HD2 PRO 97 HD2 PRO 97 -7.584 16.887 -28.143 760 HD3 PRO 97 HD3 PRO 97 -6.080 16.384 -28.986 761 H VAL 98 H VAL 98 -9.575 16.735 -33.104 762 HA VAL 98 HA VAL 98 -11.874 17.865 -31.605 763 HB VAL 98 HB VAL 98 -11.497 18.157 -34.590 764 HG11 VAL 98 HG11 VAL 98 -13.514 19.286 -32.595 765 HG12 VAL 98 HG12 VAL 98 -13.438 19.708 -34.319 766 HG13 VAL 98 HG13 VAL 98 -13.853 18.052 -33.824 767 HG21 VAL 98 HG21 VAL 98 -11.178 20.206 -32.349 768 HG22 VAL 98 HG22 VAL 98 -9.886 19.609 -33.419 769 HG23 VAL 98 HG23 VAL 98 -11.212 20.586 -34.084 770 H VAL 99 H VAL 99 -11.503 15.506 -31.030 771 HA VAL 99 HA VAL 99 -12.332 13.464 -32.793 772 HB VAL 99 HB VAL 99 -10.839 13.456 -30.715 773 HG11 VAL 99 HG11 VAL 99 -12.417 14.786 -29.309 774 HG12 VAL 99 HG12 VAL 99 -13.476 13.369 -29.200 775 HG13 VAL 99 HG13 VAL 99 -11.836 13.297 -28.524 776 HG21 VAL 99 HG21 VAL 99 -13.051 11.392 -30.725 777 HG22 VAL 99 HG22 VAL 99 -11.604 11.418 -31.778 778 HG23 VAL 99 HG23 VAL 99 -11.415 11.235 -30.018 779 H GLU 100 H GLU 100 -14.134 15.621 -32.769 780 HA GLU 100 HA GLU 100 -16.680 14.343 -31.869 781 HB2 GLU 100 HB2 GLU 100 -17.350 16.164 -30.617 782 HB3 GLU 100 HB3 GLU 100 -15.596 16.216 -30.321 783 HG2 GLU 100 HG2 GLU 100 -15.433 17.822 -32.289 784 HG3 GLU 100 HG3 GLU 100 -17.203 17.924 -32.138 785 H VAL 101 H VAL 101 -18.576 15.831 -32.698 786 HA VAL 101 HA VAL 101 -17.974 16.781 -35.458 787 HB VAL 101 HB VAL 101 -20.341 15.102 -34.581 788 HG11 VAL 101 HG11 VAL 101 -19.565 16.240 -37.303 789 HG12 VAL 101 HG12 VAL 101 -20.895 15.105 -37.006 790 HG13 VAL 101 HG13 VAL 101 -20.963 16.735 -36.311 791 HG21 VAL 101 HG21 VAL 101 -18.279 13.769 -34.798 792 HG22 VAL 101 HG22 VAL 101 -19.390 13.417 -36.135 793 HG23 VAL 101 HG23 VAL 101 -17.984 14.470 -36.406 794 H ASP 102 H ASP 102 -18.954 18.689 -35.996 795 HA ASP 102 HA ASP 102 -21.029 19.816 -34.261 796 HB2 ASP 102 HB2 ASP 102 -18.764 20.295 -33.188 797 HB3 ASP 102 HB3 ASP 102 -18.317 21.180 -34.646 798 H GLU 103 H GLU 103 -20.738 18.922 -37.017 799 HA GLU 103 HA GLU 103 -21.444 21.445 -38.412 800 HB2 GLU 103 HB2 GLU 103 -20.276 20.445 -40.405 801 HB3 GLU 103 HB3 GLU 103 -19.142 20.867 -39.061 802 HG2 GLU 103 HG2 GLU 103 -19.104 18.524 -38.353 803 HG3 GLU 103 HG3 GLU 103 -20.255 18.113 -39.637 804 H LEU 104 H LEU 104 -22.276 18.572 -37.505 805 HA LEU 104 HA LEU 104 -24.502 18.213 -39.442 806 HB2 LEU 104 HB2 LEU 104 -22.270 16.320 -38.745 807 HB3 LEU 104 HB3 LEU 104 -23.842 15.615 -39.170 808 HG LEU 104 HG LEU 104 -22.588 17.663 -40.958 809 HD11 LEU 104 HD11 LEU 104 -22.256 14.632 -40.967 810 HD12 LEU 104 HD12 LEU 104 -21.828 15.706 -42.319 811 HD13 LEU 104 HD13 LEU 104 -20.971 15.839 -40.767 812 HD21 LEU 104 HD21 LEU 104 -24.945 17.299 -41.297 813 HD22 LEU 104 HD22 LEU 104 -24.173 16.227 -42.494 814 HD23 LEU 104 HD23 LEU 104 -24.794 15.579 -40.942 815 HA PRO 105 HA PRO 105 -27.276 17.414 -36.225 816 HB2 PRO 105 HB2 PRO 105 -27.690 14.682 -37.432 817 HB3 PRO 105 HB3 PRO 105 -28.925 15.883 -36.956 818 HG2 PRO 105 HG2 PRO 105 -28.285 15.662 -39.541 819 HG3 PRO 105 HG3 PRO 105 -28.403 17.296 -38.799 820 HD2 PRO 105 HD2 PRO 105 -25.895 15.665 -39.322 821 HD3 PRO 105 HD3 PRO 105 -26.173 17.376 -39.682 822 H GLU 106 H GLU 106 -27.860 16.020 -34.366 823 HA GLU 106 HA GLU 106 -25.497 15.258 -32.963 824 HB2 GLU 106 HB2 GLU 106 -27.052 14.834 -31.103 825 HB3 GLU 106 HB3 GLU 106 -27.429 16.368 -31.916 826 HG2 GLU 106 HG2 GLU 106 -29.245 15.255 -33.176 827 HG3 GLU 106 HG3 GLU 106 -28.864 13.719 -32.390 828 H GLY 107 H GLY 107 -26.502 13.503 -35.343 829 HA2 GLY 107 HA2 GLY 107 -25.547 11.019 -34.241 830 HA3 GLY 107 HA3 GLY 107 -27.309 10.982 -34.438 831 H TYR 108 H TYR 108 -25.755 12.996 -36.893 832 HA TYR 108 HA TYR 108 -26.590 11.314 -38.988 833 HB2 TYR 108 HB2 TYR 108 -26.420 13.776 -38.736 834 HB3 TYR 108 HB3 TYR 108 -24.663 13.641 -38.694 835 HD1 TYR 108 HD2 TYR 108 -23.460 12.850 -40.758 836 HD2 TYR 108 HD1 TYR 108 -27.623 13.919 -40.718 837 HE1 TYR 108 HE2 TYR 108 -23.331 13.344 -43.156 838 HE2 TYR 108 HE1 TYR 108 -27.538 14.368 -43.162 839 HH TYR 108 HH TYR 108 -26.222 14.383 -45.053 840 H ASP 109 H ASP 109 -25.027 10.687 -40.758 841 HA ASP 109 HA ASP 109 -22.289 10.023 -39.903 842 HB2 ASP 109 HB2 ASP 109 -23.624 8.066 -39.218 843 HB3 ASP 109 HB3 ASP 109 -24.311 7.955 -40.843 844 H ARG 110 H ARG 110 -20.897 9.531 -41.704 845 HA ARG 110 HA ARG 110 -21.986 10.064 -44.397 846 HB2 ARG 110 HB2 ARG 110 -20.367 11.859 -44.808 847 HB3 ARG 110 HB3 ARG 110 -21.556 12.268 -43.565 848 HG2 ARG 110 HG2 ARG 110 -19.901 11.761 -41.797 849 HG3 ARG 110 HG3 ARG 110 -18.692 11.341 -43.044 850 HD2 ARG 110 HD2 ARG 110 -18.832 13.594 -43.982 851 HD3 ARG 110 HD3 ARG 110 -20.151 14.003 -42.874 852 HE ARG 110 HE ARG 110 -17.770 13.169 -41.450 853 HH11 ARG 110 HH11 ARG 110 -19.266 15.892 -43.136 854 HH12 ARG 110 HH12 ARG 110 -18.420 17.096 -42.195 855 HH21 ARG 110 HH21 ARG 110 -16.661 14.769 -40.239 856 HH22 ARG 110 HH22 ARG 110 -16.957 16.460 -40.551 857 H SER 111 H SER 111 -20.165 8.084 -42.529 858 HA SER 111 HA SER 111 -18.603 7.142 -44.827 859 HB2 SER 111 HB2 SER 111 -17.126 8.819 -43.771 860 HB3 SER 111 HB3 SER 111 -17.265 7.969 -42.217 861 HG SER 111 HG SER 111 -16.321 6.160 -43.198 862 H1 ALA 701 H1 ALA 701 20.471 19.761 -10.275 863 H2 ALA 701 H2 ALA 701 19.481 21.075 -10.222 864 H3 ALA 701 H3 ALA 701 20.388 20.780 -11.567 865 HA ALA 701 HA ALA 701 18.106 20.221 -11.949 866 HB1 ALA 701 HB1 ALA 701 19.947 17.806 -11.793 867 HB2 ALA 701 HB2 ALA 701 18.451 17.913 -12.746 868 HB3 ALA 701 HB3 ALA 701 19.831 18.954 -13.151 869 H ASP 702 H ASP 702 19.401 17.639 -9.777 870 HA ASP 702 HA ASP 702 18.399 16.431 -8.175 871 HB2 ASP 702 HB2 ASP 702 17.215 19.143 -7.491 872 HB3 ASP 702 HB3 ASP 702 17.313 17.755 -6.386 873 H THR 703 H THR 703 16.996 16.421 -10.682 874 HA THR 703 HA THR 703 14.138 16.609 -10.265 875 HB THR 703 HB THR 703 14.130 15.382 -12.483 876 HG1 THR 703 HG1 THR 703 16.298 15.155 -13.373 877 HG21 THR 703 HG21 THR 703 16.054 17.702 -12.199 878 HG22 THR 703 HG22 THR 703 15.323 17.129 -13.734 879 HG23 THR 703 HG23 THR 703 14.277 17.786 -12.432 880 H GLU 704 H GLU 704 16.533 14.019 -10.128 881 HA GLU 704 HA GLU 704 16.444 11.822 -9.630 882 HB2 GLU 704 HB2 GLU 704 13.576 12.106 -8.676 883 HB3 GLU 704 HB3 GLU 704 14.815 10.978 -8.111 884 HG2 GLU 704 HG2 GLU 704 14.664 13.965 -7.599 885 HG3 GLU 704 HG3 GLU 704 14.358 12.679 -6.437 886 H MET 705 H MET 705 13.341 13.000 -11.039 887 HA MET 705 HA MET 705 12.757 10.519 -12.335 888 HB2 MET 705 HB2 MET 705 11.186 11.953 -13.703 889 HB3 MET 705 HB3 MET 705 10.955 11.944 -11.954 890 HG2 MET 705 HG2 MET 705 12.766 14.040 -12.341 891 HG3 MET 705 HG3 MET 705 11.759 14.163 -13.775 892 HE1 MET 705 HE1 MET 705 11.569 13.300 -10.075 893 HE2 MET 705 HE2 MET 705 10.137 14.163 -9.464 894 HE3 MET 705 HE3 MET 705 9.939 12.742 -10.536 895 H GLU 706 H GLU 706 15.060 12.995 -13.027 896 HA GLU 706 HA GLU 706 15.239 12.072 -15.833 897 HB2 GLU 706 HB2 GLU 706 15.217 14.581 -15.021 898 HB3 GLU 706 HB3 GLU 706 16.940 14.312 -14.737 899 HG2 GLU 706 HG2 GLU 706 17.101 13.460 -17.123 900 HG3 GLU 706 HG3 GLU 706 15.377 13.823 -17.310 901 H GLU 707 H GLU 707 16.020 10.925 -13.056 902 HA GLU 707 HA GLU 707 18.546 9.633 -13.941 903 HB2 GLU 707 HB2 GLU 707 17.567 10.224 -11.116 904 HB3 GLU 707 HB3 GLU 707 18.930 9.168 -11.503 905 HG2 GLU 707 HG2 GLU 707 18.716 12.119 -12.229 906 HG3 GLU 707 HG3 GLU 707 19.676 11.451 -10.907 907 H VAL 708 H VAL 708 18.032 7.421 -11.878 908 HA VAL 708 HA VAL 708 15.720 6.319 -13.433 909 HB VAL 708 HB VAL 708 16.746 4.343 -13.809 910 HG11 VAL 708 HG11 VAL 708 18.959 6.450 -14.042 911 HG12 VAL 708 HG12 VAL 708 18.900 4.932 -14.936 912 HG13 VAL 708 HG13 VAL 708 17.648 6.182 -15.228 913 HG21 VAL 708 HG21 VAL 708 17.774 3.798 -11.725 914 HG22 VAL 708 HG22 VAL 708 18.983 3.714 -13.018 915 HG23 VAL 708 HG23 VAL 708 18.972 5.129 -11.932 916 H ASP 709 H ASP 709 17.539 5.853 -10.317 917 HA ASP 709 HA ASP 709 15.061 4.512 -9.399 918 HB2 ASP 709 HB2 ASP 709 16.370 3.246 -7.789 919 HB3 ASP 709 HB3 ASP 709 16.714 2.849 -9.453 Start of MODEL 13 1 H1 SER 2 H1 SER 2 21.944 -13.367 -3.674 2 H2 SER 2 H2 SER 2 22.846 -12.127 -3.073 3 H3 SER 2 H3 SER 2 22.735 -12.350 -4.699 4 HA SER 2 HA SER 2 20.416 -11.851 -4.696 5 HB2 SER 2 HB2 SER 2 20.848 -11.328 -1.729 6 HB3 SER 2 HB3 SER 2 19.351 -11.037 -2.641 7 HG SER 2 HG SER 2 19.355 -13.068 -1.579 8 H GLN 3 H GLN 3 20.115 -9.898 -5.613 9 HA GLN 3 HA GLN 3 21.366 -7.498 -4.500 10 HB2 GLN 3 HB2 GLN 3 22.552 -6.933 -6.558 11 HB3 GLN 3 HB3 GLN 3 23.165 -8.463 -5.896 12 HG2 GLN 3 HG2 GLN 3 21.793 -9.732 -7.519 13 HG3 GLN 3 HG3 GLN 3 21.114 -8.220 -8.142 14 HE21 GLN 3 HE22 GLN 3 21.977 -9.223 -10.203 15 HE22 GLN 3 HE21 GLN 3 23.642 -8.860 -10.624 16 H PHE 4 H PHE 4 20.787 -5.562 -6.025 17 HA PHE 4 HA PHE 4 18.439 -5.863 -7.733 18 HB2 PHE 4 HB2 PHE 4 17.331 -5.949 -5.547 19 HB3 PHE 4 HB3 PHE 4 18.312 -4.621 -4.950 20 HD1 PHE 4 HD1 PHE 4 17.910 -2.255 -5.828 21 HD2 PHE 4 HD2 PHE 4 15.319 -5.563 -6.787 22 HE1 PHE 4 HE1 PHE 4 16.090 -0.682 -6.361 23 HE2 PHE 4 HE2 PHE 4 13.522 -3.979 -7.381 24 HZ PHE 4 HZ PHE 4 13.949 -1.500 -7.241 25 H GLU 5 H GLU 5 20.525 -3.930 -5.654 26 HA GLU 5 HA GLU 5 20.440 -1.414 -6.730 27 HB2 GLU 5 HB2 GLU 5 22.780 -3.086 -5.774 28 HB3 GLU 5 HB3 GLU 5 22.821 -1.341 -5.925 29 HG2 GLU 5 HG2 GLU 5 20.951 -1.123 -4.316 30 HG3 GLU 5 HG3 GLU 5 20.909 -2.881 -4.108 31 H LYS 6 H LYS 6 22.640 -4.153 -7.839 32 HA LYS 6 HA LYS 6 24.013 -2.395 -9.614 33 HB2 LYS 6 HB2 LYS 6 23.882 -5.325 -9.067 34 HB3 LYS 6 HB3 LYS 6 24.481 -4.854 -10.649 35 HG2 LYS 6 HG2 LYS 6 26.362 -5.073 -9.103 36 HG3 LYS 6 HG3 LYS 6 26.189 -3.407 -9.670 37 HD2 LYS 6 HD2 LYS 6 26.713 -3.410 -7.295 38 HD3 LYS 6 HD3 LYS 6 25.058 -2.823 -7.507 39 HE2 LYS 6 HE2 LYS 6 24.174 -5.048 -6.907 40 HE3 LYS 6 HE3 LYS 6 25.824 -5.688 -6.815 41 HZ1 LYS 6 HZ1 LYS 6 24.990 -5.144 -4.648 42 HZ2 LYS 6 HZ2 LYS 6 26.262 -4.177 -5.014 43 HZ3 LYS 6 HZ3 LYS 6 24.734 -3.578 -5.068 44 H GLN 7 H GLN 7 21.347 -4.791 -10.053 45 HA GLN 7 HA GLN 7 21.079 -4.451 -12.866 46 HB2 GLN 7 HB2 GLN 7 19.093 -5.337 -10.757 47 HB3 GLN 7 HB3 GLN 7 19.012 -5.635 -12.516 48 HG2 GLN 7 HG2 GLN 7 21.353 -6.651 -12.324 49 HG3 GLN 7 HG3 GLN 7 21.170 -6.586 -10.557 50 HE21 GLN 7 HE22 GLN 7 19.179 -7.581 -13.416 51 HE22 GLN 7 HE21 GLN 7 18.714 -9.108 -12.710 52 H LYS 8 H LYS 8 20.595 -2.238 -10.322 53 HA LYS 8 HA LYS 8 18.487 -0.707 -11.759 54 HB2 LYS 8 HB2 LYS 8 18.037 -1.413 -9.446 55 HB3 LYS 8 HB3 LYS 8 19.515 -0.620 -8.904 56 HG2 LYS 8 HG2 LYS 8 18.651 1.569 -9.641 57 HG3 LYS 8 HG3 LYS 8 17.182 0.779 -10.277 58 HD2 LYS 8 HD2 LYS 8 16.797 1.712 -8.016 59 HD3 LYS 8 HD3 LYS 8 16.644 -0.056 -8.065 60 HE2 LYS 8 HE2 LYS 8 18.787 -0.336 -7.008 61 HE3 LYS 8 HE3 LYS 8 19.264 1.320 -7.404 62 HZ1 LYS 8 HZ1 LYS 8 17.195 0.578 -5.431 63 HZ2 LYS 8 HZ2 LYS 8 18.708 1.107 -5.085 64 HZ3 LYS 8 HZ3 LYS 8 17.647 2.116 -5.818 65 H GLU 9 H GLU 9 21.881 -0.595 -10.596 66 HA GLU 9 HA GLU 9 21.942 2.102 -11.791 67 HB2 GLU 9 HB2 GLU 9 23.948 2.651 -10.560 68 HB3 GLU 9 HB3 GLU 9 22.531 2.360 -9.536 69 HG2 GLU 9 HG2 GLU 9 23.334 0.327 -8.792 70 HG3 GLU 9 HG3 GLU 9 24.551 0.198 -10.102 71 H GLN 10 H GLN 10 22.774 -1.061 -12.625 72 HA GLN 10 HA GLN 10 25.014 -0.254 -14.328 73 HB2 GLN 10 HB2 GLN 10 24.383 -2.680 -13.644 74 HB3 GLN 10 HB3 GLN 10 23.033 -2.523 -14.788 75 HG2 GLN 10 HG2 GLN 10 25.030 -1.672 -16.381 76 HG3 GLN 10 HG3 GLN 10 25.993 -2.655 -15.263 77 HE21 GLN 10 HE22 GLN 10 23.297 -2.640 -17.580 78 HE22 GLN 10 HE21 GLN 10 23.315 -4.350 -17.940 79 H GLY 11 H GLY 11 21.460 -0.726 -14.800 80 HA2 GLY 11 HA2 GLY 11 21.407 0.197 -17.504 81 HA3 GLY 11 HA3 GLY 11 20.040 0.177 -16.374 82 H ASN 12 H ASN 12 21.561 1.832 -14.425 83 HA ASN 12 HA ASN 12 20.887 4.513 -15.087 84 HB2 ASN 12 HB2 ASN 12 21.054 3.390 -12.900 85 HB3 ASN 12 HB3 ASN 12 22.791 3.168 -13.189 86 HD21 ASN 12 HD22 ASN 12 23.120 3.878 -11.168 87 HD22 ASN 12 HD21 ASN 12 23.197 5.556 -10.749 88 H SER 13 H SER 13 23.201 2.642 -16.521 89 HA SER 13 HA SER 13 24.536 5.096 -17.458 90 HB2 SER 13 HB2 SER 13 26.755 4.123 -17.351 91 HB3 SER 13 HB3 SER 13 26.018 4.119 -15.738 92 HG SER 13 HG SER 13 25.432 1.899 -16.188 93 H LEU 14 H LEU 14 22.693 2.525 -18.229 94 HA LEU 14 HA LEU 14 23.714 2.436 -21.049 95 HB2 LEU 14 HB2 LEU 14 21.821 0.710 -19.406 96 HB3 LEU 14 HB3 LEU 14 21.743 0.691 -21.152 97 HG LEU 14 HG LEU 14 24.260 0.116 -21.158 98 HD11 LEU 14 HD11 LEU 14 23.319 -0.544 -18.367 99 HD12 LEU 14 HD12 LEU 14 24.876 -1.117 -19.074 100 HD13 LEU 14 HD13 LEU 14 24.604 0.629 -18.782 101 HD21 LEU 14 HD21 LEU 14 22.441 -1.434 -21.794 102 HD22 LEU 14 HD22 LEU 14 23.687 -2.272 -20.853 103 HD23 LEU 14 HD23 LEU 14 22.151 -1.809 -20.077 104 H PHE 15 H PHE 15 20.896 3.217 -18.977 105 HA PHE 15 HA PHE 15 19.094 4.037 -21.003 106 HB2 PHE 15 HB2 PHE 15 18.228 3.679 -18.844 107 HB3 PHE 15 HB3 PHE 15 19.551 4.563 -18.072 108 HD1 PHE 15 HD1 PHE 15 16.525 5.108 -20.217 109 HD2 PHE 15 HD2 PHE 15 19.289 6.759 -17.353 110 HE1 PHE 15 HE1 PHE 15 15.101 7.126 -19.985 111 HE2 PHE 15 HE2 PHE 15 17.827 8.713 -17.060 112 HZ PHE 15 HZ PHE 15 15.760 8.935 -18.409 113 H LYS 16 H LYS 16 21.831 5.611 -19.419 114 HA LYS 16 HA LYS 16 21.089 8.243 -20.357 115 HB2 LYS 16 HB2 LYS 16 23.724 7.343 -19.159 116 HB3 LYS 16 HB3 LYS 16 22.959 8.964 -19.095 117 HG2 LYS 16 HG2 LYS 16 21.076 7.894 -17.783 118 HG3 LYS 16 HG3 LYS 16 22.046 6.406 -17.727 119 HD2 LYS 16 HD2 LYS 16 22.420 7.574 -15.718 120 HD3 LYS 16 HD3 LYS 16 23.910 7.710 -16.676 121 HE2 LYS 16 HE2 LYS 16 23.144 9.988 -17.429 122 HE3 LYS 16 HE3 LYS 16 21.704 9.807 -16.399 123 HZ1 LYS 16 HZ1 LYS 16 24.496 9.811 -15.452 124 HZ2 LYS 16 HZ2 LYS 16 23.445 11.067 -15.320 125 HZ3 LYS 16 HZ3 LYS 16 23.159 9.678 -14.502 126 H GLN 17 H GLN 17 22.366 5.622 -22.037 127 HA GLN 17 HA GLN 17 24.440 7.183 -23.495 128 HB2 GLN 17 HB2 GLN 17 23.850 4.208 -23.175 129 HB3 GLN 17 HB3 GLN 17 25.042 4.862 -24.306 130 HG2 GLN 17 HG2 GLN 17 26.082 6.093 -22.359 131 HG3 GLN 17 HG3 GLN 17 25.056 5.127 -21.284 132 HE21 GLN 17 HE22 GLN 17 25.123 2.598 -22.399 133 HE22 GLN 17 HE21 GLN 17 26.769 1.991 -22.465 134 H GLY 18 H GLY 18 21.229 5.854 -23.848 135 HA2 GLY 18 HA2 GLY 18 20.312 6.762 -26.146 136 HA3 GLY 18 HA3 GLY 18 21.610 5.664 -26.773 137 H LEU 19 H LEU 19 21.243 3.770 -24.587 138 HA LEU 19 HA LEU 19 19.305 2.270 -26.247 139 HB2 LEU 19 HB2 LEU 19 20.757 0.324 -25.271 140 HB3 LEU 19 HB3 LEU 19 21.121 1.199 -26.735 141 HG LEU 19 HG LEU 19 22.679 2.685 -25.155 142 HD11 LEU 19 HD11 LEU 19 22.429 0.097 -23.572 143 HD12 LEU 19 HD12 LEU 19 23.441 1.496 -23.168 144 HD13 LEU 19 HD13 LEU 19 21.659 1.621 -23.091 145 HD21 LEU 19 HD21 LEU 19 23.537 1.137 -26.883 146 HD22 LEU 19 HD22 LEU 19 24.503 1.030 -25.394 147 HD23 LEU 19 HD23 LEU 19 23.304 -0.234 -25.775 148 H TYR 20 H TYR 20 17.917 3.491 -24.895 149 HA TYR 20 HA TYR 20 17.320 3.201 -22.235 150 HB2 TYR 20 HB2 TYR 20 15.363 3.123 -24.541 151 HB3 TYR 20 HB3 TYR 20 15.055 3.847 -22.978 152 HD1 TYR 20 HD2 TYR 20 17.447 5.411 -22.418 153 HD2 TYR 20 HD1 TYR 20 15.415 4.823 -26.163 154 HE1 TYR 20 HE2 TYR 20 18.396 7.553 -23.279 155 HE2 TYR 20 HE1 TYR 20 16.357 6.954 -27.023 156 HH TYR 20 HH TYR 20 17.672 8.758 -26.567 157 H ARG 21 H ARG 21 16.531 0.904 -24.904 158 HA ARG 21 HA ARG 21 14.797 -0.726 -23.225 159 HB2 ARG 21 HB2 ARG 21 15.166 -0.379 -25.923 160 HB3 ARG 21 HB3 ARG 21 16.202 -1.782 -25.677 161 HG2 ARG 21 HG2 ARG 21 13.237 -1.476 -25.219 162 HG3 ARG 21 HG3 ARG 21 14.101 -2.604 -26.298 163 HD2 ARG 21 HD2 ARG 21 14.984 -3.784 -24.256 164 HD3 ARG 21 HD3 ARG 21 13.993 -2.688 -23.261 165 HE ARG 21 HE ARG 21 12.225 -3.812 -25.092 166 HH11 ARG 21 HH11 ARG 21 14.418 -5.021 -22.599 167 HH12 ARG 21 HH12 ARG 21 13.425 -6.414 -22.234 168 HH21 ARG 21 HH21 ARG 21 10.946 -5.646 -24.598 169 HH22 ARG 21 HH22 ARG 21 11.471 -6.759 -23.359 170 H GLU 22 H GLU 22 18.185 -0.930 -24.375 171 HA GLU 22 HA GLU 22 18.780 -3.453 -23.205 172 HB2 GLU 22 HB2 GLU 22 20.579 -1.060 -23.611 173 HB3 GLU 22 HB3 GLU 22 21.099 -2.739 -23.347 174 HG2 GLU 22 HG2 GLU 22 19.366 -1.773 -25.674 175 HG3 GLU 22 HG3 GLU 22 21.101 -2.093 -25.724 176 H ALA 23 H ALA 23 18.543 -0.173 -21.949 177 HA ALA 23 HA ALA 23 19.732 -0.689 -19.380 178 HB1 ALA 23 HB1 ALA 23 18.946 1.517 -18.839 179 HB2 ALA 23 HB2 ALA 23 19.463 1.548 -20.548 180 HB3 ALA 23 HB3 ALA 23 17.743 1.491 -20.143 181 H VAL 24 H VAL 24 16.338 -0.870 -20.684 182 HA VAL 24 HA VAL 24 15.189 -1.177 -18.123 183 HB VAL 24 HB VAL 24 13.254 -1.381 -19.114 184 HG11 VAL 24 HG11 VAL 24 14.350 -0.095 -21.563 185 HG12 VAL 24 HG12 VAL 24 12.886 0.253 -20.643 186 HG13 VAL 24 HG13 VAL 24 14.476 0.687 -19.957 187 HG21 VAL 24 HG21 VAL 24 13.134 -3.308 -20.087 188 HG22 VAL 24 HG22 VAL 24 12.649 -2.153 -21.326 189 HG23 VAL 24 HG23 VAL 24 14.296 -2.910 -21.388 190 H HIS 25 H HIS 25 16.623 -3.048 -20.522 191 HA HIS 25 HA HIS 25 15.632 -5.609 -20.046 192 HB2 HIS 25 HB2 HIS 25 17.306 -4.387 -21.804 193 HB3 HIS 25 HB3 HIS 25 18.476 -5.326 -20.931 194 HD2 HIS 25 HD2 HIS 25 16.867 -5.446 -23.963 195 HE1 HIS 25 HE1 HIS 25 15.948 -9.406 -22.737 196 HE2 HIS 25 HE2 HIS 25 16.060 -7.833 -24.727 197 H CYS 26 H CYS 26 17.432 -3.695 -17.963 198 HA CYS 26 HA CYS 26 18.308 -6.053 -16.355 199 HB2 CYS 26 HB2 CYS 26 19.521 -3.257 -16.508 200 HB3 CYS 26 HB3 CYS 26 20.026 -4.548 -15.393 201 HG CYS 26 HG CYS 26 19.936 -4.610 -18.702 202 H TYR 27 H TYR 27 16.733 -2.916 -16.564 203 HA TYR 27 HA TYR 27 15.904 -2.481 -13.875 204 HB2 TYR 27 HB2 TYR 27 14.655 -2.009 -16.595 205 HB3 TYR 27 HB3 TYR 27 14.001 -1.270 -15.203 206 HD1 TYR 27 HD2 TYR 27 17.365 -1.044 -14.395 207 HD2 TYR 27 HD1 TYR 27 14.481 0.496 -17.197 208 HE1 TYR 27 HE2 TYR 27 18.737 1.000 -14.703 209 HE2 TYR 27 HE1 TYR 27 15.803 2.529 -17.492 210 HH TYR 27 HH TYR 27 17.759 3.617 -16.925 211 H ASP 28 H ASP 28 14.683 -4.605 -16.470 212 HA ASP 28 HA ASP 28 12.095 -5.030 -15.398 213 HB2 ASP 28 HB2 ASP 28 12.831 -5.476 -17.726 214 HB3 ASP 28 HB3 ASP 28 13.770 -6.865 -17.136 215 H GLN 29 H GLN 29 15.266 -6.495 -14.648 216 HA GLN 29 HA GLN 29 14.065 -8.656 -13.170 217 HB2 GLN 29 HB2 GLN 29 16.891 -7.538 -13.227 218 HB3 GLN 29 HB3 GLN 29 16.386 -8.972 -12.301 219 HG2 GLN 29 HG2 GLN 29 16.943 -10.114 -14.168 220 HG3 GLN 29 HG3 GLN 29 15.341 -9.629 -14.707 221 HE21 GLN 29 HE22 GLN 29 15.246 -8.625 -16.671 222 HE22 GLN 29 HE21 GLN 29 16.586 -7.808 -17.454 223 H LEU 30 H LEU 30 14.662 -5.277 -12.451 224 HA LEU 30 HA LEU 30 14.850 -5.477 -9.577 225 HB2 LEU 30 HB2 LEU 30 13.463 -3.400 -11.291 226 HB3 LEU 30 HB3 LEU 30 14.000 -3.164 -9.617 227 HG LEU 30 HG LEU 30 15.659 -3.486 -12.092 228 HD11 LEU 30 HD11 LEU 30 14.773 -1.248 -11.611 229 HD12 LEU 30 HD12 LEU 30 15.491 -1.299 -9.981 230 HD13 LEU 30 HD13 LEU 30 16.540 -1.289 -11.421 231 HD21 LEU 30 HD21 LEU 30 16.744 -4.810 -10.297 232 HD22 LEU 30 HD22 LEU 30 17.657 -3.319 -10.581 233 HD23 LEU 30 HD23 LEU 30 16.577 -3.442 -9.172 234 H ILE 31 H ILE 31 12.194 -5.512 -11.953 235 HA ILE 31 HA ILE 31 10.154 -5.543 -9.869 236 HB ILE 31 HB ILE 31 9.797 -6.225 -12.819 237 HG12 ILE 31 HG12 ILE 31 8.878 -3.615 -12.427 238 HG13 ILE 31 HG13 ILE 31 10.393 -3.623 -11.517 239 HG21 ILE 31 HG21 ILE 31 8.099 -5.058 -10.609 240 HG22 ILE 31 HG22 ILE 31 7.531 -5.403 -12.265 241 HG23 ILE 31 HG23 ILE 31 8.025 -6.760 -11.204 242 HD11 ILE 31 HD11 ILE 31 10.692 -2.929 -13.879 243 HD12 ILE 31 HD12 ILE 31 11.596 -4.420 -13.483 244 HD13 ILE 31 HD13 ILE 31 10.077 -4.510 -14.414 245 H THR 32 H THR 32 11.788 -7.987 -11.970 246 HA THR 32 HA THR 32 9.999 -10.039 -10.978 247 HB THR 32 HB THR 32 12.736 -10.004 -12.325 248 HG1 THR 32 HG1 THR 32 10.163 -10.716 -13.267 249 HG21 THR 32 HG21 THR 32 11.061 -12.485 -11.815 250 HG22 THR 32 HG22 THR 32 12.488 -12.379 -12.882 251 HG23 THR 32 HG23 THR 32 12.671 -12.115 -11.141 252 H ALA 33 H ALA 33 12.985 -8.593 -9.743 253 HA ALA 33 HA ALA 33 13.316 -10.763 -7.809 254 HB1 ALA 33 HB1 ALA 33 14.639 -8.007 -7.982 255 HB2 ALA 33 HB2 ALA 33 15.158 -9.335 -6.939 256 HB3 ALA 33 HB3 ALA 33 15.289 -9.502 -8.708 257 H GLN 34 H GLN 34 11.832 -7.572 -8.050 258 HA GLN 34 HA GLN 34 10.574 -7.947 -5.433 259 HB2 GLN 34 HB2 GLN 34 12.854 -6.539 -5.638 260 HB3 GLN 34 HB3 GLN 34 11.799 -5.272 -6.188 261 HG2 GLN 34 HG2 GLN 34 10.696 -5.200 -4.010 262 HG3 GLN 34 HG3 GLN 34 11.334 -6.814 -3.606 263 HE21 GLN 34 HE22 GLN 34 13.294 -4.546 -5.375 264 HE22 GLN 34 HE21 GLN 34 14.518 -4.306 -4.171 265 HA PRO 35 HA PRO 35 7.963 -6.687 -8.996 266 HB2 PRO 35 HB2 PRO 35 5.964 -8.583 -8.373 267 HB3 PRO 35 HB3 PRO 35 7.306 -8.720 -9.538 268 HG2 PRO 35 HG2 PRO 35 7.051 -10.109 -6.956 269 HG3 PRO 35 HG3 PRO 35 8.223 -10.363 -8.289 270 HD2 PRO 35 HD2 PRO 35 8.724 -9.055 -5.824 271 HD3 PRO 35 HD3 PRO 35 9.809 -9.389 -7.204 272 H GLN 36 H GLN 36 7.686 -6.867 -5.747 273 HA GLN 36 HA GLN 36 5.600 -4.742 -5.755 274 HB2 GLN 36 HB2 GLN 36 6.570 -6.300 -3.325 275 HB3 GLN 36 HB3 GLN 36 5.246 -5.130 -3.379 276 HG2 GLN 36 HG2 GLN 36 3.870 -6.864 -3.740 277 HG3 GLN 36 HG3 GLN 36 4.554 -6.958 -5.374 278 HE21 GLN 36 HE22 GLN 36 6.503 -8.346 -5.644 279 HE22 GLN 36 HE21 GLN 36 6.773 -9.710 -4.569 280 H ASN 37 H ASN 37 7.794 -3.802 -6.770 281 HA ASN 37 HA ASN 37 8.672 -1.898 -4.688 282 HB2 ASN 37 HB2 ASN 37 10.857 -2.531 -4.723 283 HB3 ASN 37 HB3 ASN 37 10.310 -3.972 -5.560 284 HD21 ASN 37 HD22 ASN 37 10.455 -4.091 -7.820 285 HD22 ASN 37 HD21 ASN 37 11.592 -3.082 -8.708 286 HA PRO 38 HA PRO 38 7.549 0.764 -8.061 287 HB2 PRO 38 HB2 PRO 38 9.125 2.818 -6.646 288 HB3 PRO 38 HB3 PRO 38 7.352 2.778 -6.964 289 HG2 PRO 38 HG2 PRO 38 8.491 2.486 -4.461 290 HG3 PRO 38 HG3 PRO 38 7.019 1.579 -4.946 291 HD2 PRO 38 HD2 PRO 38 9.909 0.629 -4.982 292 HD3 PRO 38 HD3 PRO 38 8.431 -0.166 -4.361 293 H VAL 39 H VAL 39 11.018 1.334 -6.930 294 HA VAL 39 HA VAL 39 11.625 2.742 -9.292 295 HB VAL 39 HB VAL 39 13.050 2.856 -7.421 296 HG11 VAL 39 HG11 VAL 39 14.719 1.499 -6.878 297 HG12 VAL 39 HG12 VAL 39 13.135 0.698 -6.543 298 HG13 VAL 39 HG13 VAL 39 14.154 0.202 -7.984 299 HG21 VAL 39 HG21 VAL 39 15.166 2.730 -8.675 300 HG22 VAL 39 HG22 VAL 39 14.506 1.443 -9.694 301 HG23 VAL 39 HG23 VAL 39 13.875 3.114 -9.877 302 H GLY 40 H GLY 40 11.367 -0.539 -8.704 303 HA2 GLY 40 HA2 GLY 40 12.493 -1.843 -11.028 304 HA3 GLY 40 HA3 GLY 40 11.018 -2.340 -10.265 305 H TYR 41 H TYR 41 9.248 -0.341 -10.701 306 HA TYR 41 HA TYR 41 8.675 -0.492 -13.525 307 HB2 TYR 41 HB2 TYR 41 7.507 0.971 -11.131 308 HB3 TYR 41 HB3 TYR 41 6.730 0.984 -12.680 309 HD1 TYR 41 HD1 TYR 41 6.029 -1.267 -13.728 310 HD2 TYR 41 HD2 TYR 41 7.167 -0.772 -9.627 311 HE1 TYR 41 HE1 TYR 41 4.951 -3.448 -13.183 312 HE2 TYR 41 HE2 TYR 41 6.142 -2.987 -9.069 313 HH TYR 41 HH TYR 41 4.493 -4.978 -11.556 314 H SER 42 H SER 42 10.110 1.878 -11.319 315 HA SER 42 HA SER 42 9.385 4.190 -12.867 316 HB2 SER 42 HB2 SER 42 10.034 4.131 -10.372 317 HB3 SER 42 HB3 SER 42 11.681 3.926 -10.900 318 HG SER 42 HG SER 42 11.170 6.137 -10.605 319 H ASN 43 H ASN 43 12.357 2.174 -12.727 320 HA ASN 43 HA ASN 43 13.860 3.950 -14.480 321 HB2 ASN 43 HB2 ASN 43 14.289 1.126 -13.456 322 HB3 ASN 43 HB3 ASN 43 15.421 1.981 -14.522 323 HD21 ASN 43 HD22 ASN 43 16.859 1.527 -12.614 324 HD22 ASN 43 HD21 ASN 43 16.909 2.750 -11.361 325 H LYS 44 H LYS 44 12.234 0.757 -14.831 326 HA LYS 44 HA LYS 44 12.500 0.362 -17.648 327 HB2 LYS 44 HB2 LYS 44 11.812 -1.284 -16.020 328 HB3 LYS 44 HB3 LYS 44 10.314 -0.384 -15.703 329 HG2 LYS 44 HG2 LYS 44 9.583 -0.723 -18.019 330 HG3 LYS 44 HG3 LYS 44 11.117 -1.537 -18.415 331 HD2 LYS 44 HD2 LYS 44 10.617 -3.293 -16.748 332 HD3 LYS 44 HD3 LYS 44 9.081 -2.489 -16.351 333 HE2 LYS 44 HE2 LYS 44 8.317 -2.779 -18.678 334 HE3 LYS 44 HE3 LYS 44 9.856 -3.555 -19.096 335 HZ1 LYS 44 HZ1 LYS 44 8.140 -5.161 -18.640 336 HZ2 LYS 44 HZ2 LYS 44 9.336 -5.291 -17.520 337 HZ3 LYS 44 HZ3 LYS 44 7.913 -4.572 -17.128 338 H ALA 45 H ALA 45 10.418 2.521 -15.707 339 HA ALA 45 HA ALA 45 8.578 3.068 -17.901 340 HB1 ALA 45 HB1 ALA 45 9.024 4.485 -15.245 341 HB2 ALA 45 HB2 ALA 45 7.683 4.792 -16.375 342 HB3 ALA 45 HB3 ALA 45 7.825 3.216 -15.575 343 H MET 46 H MET 46 11.162 5.059 -16.250 344 HA MET 46 HA MET 46 10.858 7.286 -17.923 345 HB2 MET 46 HB2 MET 46 12.219 7.178 -15.829 346 HB3 MET 46 HB3 MET 46 13.422 6.225 -16.701 347 HG2 MET 46 HG2 MET 46 14.228 8.425 -16.669 348 HG3 MET 46 HG3 MET 46 13.691 8.142 -18.319 349 HE1 MET 46 HE1 MET 46 10.603 9.025 -18.608 350 HE2 MET 46 HE2 MET 46 10.925 10.746 -18.856 351 HE3 MET 46 HE3 MET 46 12.029 9.535 -19.553 352 H ALA 47 H ALA 47 12.507 4.207 -18.532 353 HA ALA 47 HA ALA 47 13.914 5.106 -20.885 354 HB1 ALA 47 HB1 ALA 47 13.018 2.360 -19.931 355 HB2 ALA 47 HB2 ALA 47 14.159 2.656 -21.269 356 HB3 ALA 47 HB3 ALA 47 14.586 3.120 -19.605 357 H LEU 48 H LEU 48 10.648 3.702 -20.286 358 HA LEU 48 HA LEU 48 10.042 3.275 -23.060 359 HB2 LEU 48 HB2 LEU 48 8.309 3.670 -20.599 360 HB3 LEU 48 HB3 LEU 48 7.652 3.279 -22.203 361 HG LEU 48 HG LEU 48 9.716 1.575 -20.779 362 HD11 LEU 48 HD11 LEU 48 6.684 1.344 -20.922 363 HD12 LEU 48 HD12 LEU 48 7.760 0.083 -20.278 364 HD13 LEU 48 HD13 LEU 48 7.645 1.663 -19.458 365 HD21 LEU 48 HD21 LEU 48 9.533 1.321 -23.282 366 HD22 LEU 48 HD22 LEU 48 9.120 -0.136 -22.359 367 HD23 LEU 48 HD23 LEU 48 7.823 0.861 -23.037 368 H ILE 49 H ILE 49 10.072 6.195 -21.066 369 HA ILE 49 HA ILE 49 8.449 7.748 -22.937 370 HB ILE 49 HB ILE 49 10.416 8.334 -20.683 371 HG12 ILE 49 HG12 ILE 49 8.409 9.758 -19.909 372 HG13 ILE 49 HG13 ILE 49 7.469 8.907 -21.135 373 HG21 ILE 49 HG21 ILE 49 9.226 10.399 -22.562 374 HG22 ILE 49 HG22 ILE 49 10.072 10.756 -21.048 375 HG23 ILE 49 HG23 ILE 49 10.963 9.988 -22.374 376 HD11 ILE 49 HD11 ILE 49 7.243 7.832 -18.919 377 HD12 ILE 49 HD12 ILE 49 8.055 6.736 -20.057 378 HD13 ILE 49 HD13 ILE 49 8.990 7.630 -18.820 379 H LYS 50 H LYS 50 11.984 7.372 -22.336 380 HA LYS 50 HA LYS 50 12.803 8.895 -24.564 381 HB2 LYS 50 HB2 LYS 50 13.922 7.304 -22.424 382 HB3 LYS 50 HB3 LYS 50 14.695 6.889 -23.961 383 HG2 LYS 50 HG2 LYS 50 15.907 8.743 -23.004 384 HG3 LYS 50 HG3 LYS 50 15.027 9.316 -24.431 385 HD2 LYS 50 HD2 LYS 50 14.753 10.964 -22.733 386 HD3 LYS 50 HD3 LYS 50 13.197 10.140 -22.831 387 HE2 LYS 50 HE2 LYS 50 13.605 8.907 -20.834 388 HE3 LYS 50 HE3 LYS 50 15.351 9.196 -20.919 389 HZ1 LYS 50 HZ1 LYS 50 14.236 10.556 -19.234 390 HZ2 LYS 50 HZ2 LYS 50 14.996 11.467 -20.352 391 HZ3 LYS 50 HZ3 LYS 50 13.362 11.313 -20.408 392 H LEU 51 H LEU 51 11.351 5.714 -24.460 393 HA LEU 51 HA LEU 51 12.365 5.036 -27.157 394 HB2 LEU 51 HB2 LEU 51 10.670 3.630 -25.063 395 HB3 LEU 51 HB3 LEU 51 10.951 2.977 -26.681 396 HG LEU 51 HG LEU 51 13.213 3.637 -24.743 397 HD11 LEU 51 HD11 LEU 51 11.793 1.000 -25.306 398 HD12 LEU 51 HD12 LEU 51 13.262 1.200 -24.313 399 HD13 LEU 51 HD13 LEU 51 11.726 1.919 -23.783 400 HD21 LEU 51 HD21 LEU 51 13.862 3.493 -27.123 401 HD22 LEU 51 HD22 LEU 51 14.493 2.123 -26.179 402 HD23 LEU 51 HD23 LEU 51 13.078 1.896 -27.237 403 H GLY 52 H GLY 52 9.678 6.306 -25.324 404 HA2 GLY 52 HA2 GLY 52 7.980 7.630 -26.068 405 HA3 GLY 52 HA3 GLY 52 8.259 7.135 -27.732 406 H GLU 53 H GLU 53 8.145 4.520 -25.523 407 HA GLU 53 HA GLU 53 5.370 3.759 -26.226 408 HB2 GLU 53 HB2 GLU 53 7.273 2.274 -24.364 409 HB3 GLU 53 HB3 GLU 53 5.987 1.598 -25.387 410 HG2 GLU 53 HG2 GLU 53 7.493 2.436 -27.372 411 HG3 GLU 53 HG3 GLU 53 8.754 2.582 -26.156 412 H TYR 54 H TYR 54 5.462 6.037 -25.062 413 HA TYR 54 HA TYR 54 5.094 6.407 -22.396 414 HB2 TYR 54 HB2 TYR 54 3.194 7.165 -24.619 415 HB3 TYR 54 HB3 TYR 54 3.278 7.980 -23.176 416 HD1 TYR 54 HD1 TYR 54 6.081 8.670 -22.717 417 HD2 TYR 54 HD2 TYR 54 4.062 8.197 -26.474 418 HE1 TYR 54 HE1 TYR 54 7.736 10.181 -23.798 419 HE2 TYR 54 HE2 TYR 54 5.752 9.634 -27.582 420 HH TYR 54 HH TYR 54 8.437 11.150 -25.754 421 H THR 55 H THR 55 2.864 4.686 -24.672 422 HA THR 55 HA THR 55 0.582 4.612 -23.055 423 HB THR 55 HB THR 55 1.396 2.172 -24.621 424 HG1 THR 55 HG1 THR 55 0.816 3.248 -26.518 425 HG21 THR 55 HG21 THR 55 -1.123 3.850 -24.360 426 HG22 THR 55 HG22 THR 55 -1.003 2.307 -25.256 427 HG23 THR 55 HG23 THR 55 -0.790 2.337 -23.485 428 H GLN 56 H GLN 56 3.451 2.537 -23.080 429 HA GLN 56 HA GLN 56 2.445 0.740 -21.001 430 HB2 GLN 56 HB2 GLN 56 5.194 1.114 -22.260 431 HB3 GLN 56 HB3 GLN 56 4.662 -0.277 -21.281 432 HG2 GLN 56 HG2 GLN 56 3.650 0.624 -24.021 433 HG3 GLN 56 HG3 GLN 56 4.586 -0.826 -23.669 434 HE21 GLN 56 HE22 GLN 56 1.458 0.718 -23.575 435 HE22 GLN 56 HE21 GLN 56 0.515 -0.705 -23.147 436 H ALA 57 H ALA 57 4.732 3.437 -21.336 437 HA ALA 57 HA ALA 57 5.940 3.416 -18.828 438 HB1 ALA 57 HB1 ALA 57 5.013 5.795 -20.508 439 HB2 ALA 57 HB2 ALA 57 6.291 5.823 -19.275 440 HB3 ALA 57 HB3 ALA 57 6.504 4.887 -20.786 441 H ILE 58 H ILE 58 2.799 4.831 -19.797 442 HA ILE 58 HA ILE 58 2.205 6.181 -17.369 443 HB ILE 58 HB ILE 58 0.419 4.856 -19.437 444 HG12 ILE 58 HG12 ILE 58 0.960 7.829 -19.259 445 HG13 ILE 58 HG13 ILE 58 2.156 6.792 -20.033 446 HG21 ILE 58 HG21 ILE 58 -0.862 5.415 -17.372 447 HG22 ILE 58 HG22 ILE 58 -0.276 7.094 -17.477 448 HG23 ILE 58 HG23 ILE 58 -1.328 6.446 -18.742 449 HD11 ILE 58 HD11 ILE 58 -0.787 7.018 -20.817 450 HD12 ILE 58 HD12 ILE 58 0.635 7.576 -21.733 451 HD13 ILE 58 HD13 ILE 58 0.354 5.838 -21.500 452 H GLN 59 H GLN 59 1.734 2.757 -18.425 453 HA GLN 59 HA GLN 59 0.146 2.024 -16.157 454 HB2 GLN 59 HB2 GLN 59 1.855 0.337 -18.011 455 HB3 GLN 59 HB3 GLN 59 0.544 -0.206 -16.934 456 HG2 GLN 59 HG2 GLN 59 0.376 1.438 -19.460 457 HG3 GLN 59 HG3 GLN 59 -0.405 -0.115 -19.084 458 HE21 GLN 59 HE22 GLN 59 -1.051 3.034 -19.574 459 HE22 GLN 59 HE21 GLN 59 -2.391 3.278 -18.460 460 H MET 60 H MET 60 3.632 1.956 -16.942 461 HA MET 60 HA MET 60 4.497 0.356 -14.699 462 HB2 MET 60 HB2 MET 60 5.940 2.592 -16.157 463 HB3 MET 60 HB3 MET 60 6.687 1.404 -15.075 464 HG2 MET 60 HG2 MET 60 5.490 0.916 -17.809 465 HG3 MET 60 HG3 MET 60 7.177 0.817 -17.311 466 HE1 MET 60 HE1 MET 60 4.102 -0.860 -18.152 467 HE2 MET 60 HE2 MET 60 3.968 -2.364 -17.202 468 HE3 MET 60 HE3 MET 60 3.599 -0.793 -16.451 469 H CYS 61 H CYS 61 4.127 3.913 -15.123 470 HA CYS 61 HA CYS 61 5.403 4.588 -12.688 471 HB2 CYS 61 HB2 CYS 61 3.321 6.018 -14.375 472 HB3 CYS 61 HB3 CYS 61 4.212 6.749 -13.011 473 HG CYS 61 HG CYS 61 5.389 5.356 -15.766 474 H GLN 62 H GLN 62 1.880 4.603 -13.431 475 HA GLN 62 HA GLN 62 1.036 4.899 -10.767 476 HB2 GLN 62 HB2 GLN 62 -1.143 4.049 -11.551 477 HB3 GLN 62 HB3 GLN 62 -0.449 5.341 -12.550 478 HG2 GLN 62 HG2 GLN 62 -0.810 4.052 -14.333 479 HG3 GLN 62 HG3 GLN 62 0.464 2.974 -13.745 480 HE21 GLN 62 HE22 GLN 62 -0.166 1.155 -12.349 481 HE22 GLN 62 HE21 GLN 62 -1.778 0.492 -12.467 482 H GLN 63 H GLN 63 2.053 1.860 -12.384 483 HA GLN 63 HA GLN 63 1.141 0.079 -10.306 484 HB2 GLN 63 HB2 GLN 63 2.803 0.037 -12.712 485 HB3 GLN 63 HB3 GLN 63 3.673 -0.730 -11.386 486 HG2 GLN 63 HG2 GLN 63 2.416 -2.335 -12.681 487 HG3 GLN 63 HG3 GLN 63 1.839 -2.289 -11.001 488 HE21 GLN 63 HE22 GLN 63 1.110 -1.359 -14.380 489 HE22 GLN 63 HE21 GLN 63 -0.615 -1.167 -14.122 490 H GLY 64 H GLY 64 4.206 1.958 -10.731 491 HA2 GLY 64 HA2 GLY 64 5.608 0.827 -8.622 492 HA3 GLY 64 HA3 GLY 64 5.755 2.515 -9.148 493 H LEU 65 H LEU 65 3.008 3.262 -8.537 494 HA LEU 65 HA LEU 65 3.365 4.083 -5.820 495 HB2 LEU 65 HB2 LEU 65 0.944 4.215 -7.654 496 HB3 LEU 65 HB3 LEU 65 1.128 5.135 -6.149 497 HG LEU 65 HG LEU 65 3.087 5.312 -8.467 498 HD11 LEU 65 HD11 LEU 65 0.719 5.987 -9.032 499 HD12 LEU 65 HD12 LEU 65 0.842 7.248 -7.789 500 HD13 LEU 65 HD13 LEU 65 1.933 7.263 -9.207 501 HD21 LEU 65 HD21 LEU 65 4.120 7.039 -7.303 502 HD22 LEU 65 HD22 LEU 65 2.640 7.482 -6.428 503 HD23 LEU 65 HD23 LEU 65 3.591 6.066 -5.931 504 H ARG 66 H ARG 66 2.394 1.043 -6.893 505 HA ARG 66 HA ARG 66 0.198 0.566 -5.028 506 HB2 ARG 66 HB2 ARG 66 2.014 -1.128 -6.822 507 HB3 ARG 66 HB3 ARG 66 0.635 -1.792 -5.979 508 HG2 ARG 66 HG2 ARG 66 -0.870 -0.197 -7.129 509 HG3 ARG 66 HG3 ARG 66 0.499 0.470 -8.024 510 HD2 ARG 66 HD2 ARG 66 -0.567 -1.150 -9.417 511 HD3 ARG 66 HD3 ARG 66 1.009 -1.796 -8.926 512 HE ARG 66 HE ARG 66 -0.530 -2.906 -7.035 513 HH11 ARG 66 HH11 ARG 66 -1.157 -2.647 -10.511 514 HH12 ARG 66 HH12 ARG 66 -2.116 -4.102 -10.558 515 HH21 ARG 66 HH21 ARG 66 -1.782 -4.807 -7.135 516 HH22 ARG 66 HH22 ARG 66 -2.473 -5.315 -8.656 517 H TYR 67 H TYR 67 3.561 0.724 -5.124 518 HA TYR 67 HA TYR 67 3.962 -1.090 -2.796 519 HB2 TYR 67 HB2 TYR 67 5.930 -0.170 -4.910 520 HB3 TYR 67 HB3 TYR 67 6.090 -1.547 -3.819 521 HD1 TYR 67 HD2 TYR 67 3.991 -3.267 -4.011 522 HD2 TYR 67 HD1 TYR 67 5.289 -0.538 -7.062 523 HE1 TYR 67 HE2 TYR 67 2.947 -4.715 -5.718 524 HE2 TYR 67 HE1 TYR 67 4.053 -1.858 -8.767 525 HH TYR 67 HH TYR 67 2.882 -3.799 -9.200 526 H THR 68 H THR 68 4.273 2.275 -3.784 527 HA THR 68 HA THR 68 6.506 2.900 -2.071 528 HB THR 68 HB THR 68 5.817 5.233 -2.402 529 HG1 THR 68 HG1 THR 68 3.552 4.849 -2.371 530 HG21 THR 68 HG21 THR 68 5.827 5.224 -4.942 531 HG22 THR 68 HG22 THR 68 7.128 4.281 -4.192 532 HG23 THR 68 HG23 THR 68 5.708 3.456 -4.872 533 H SER 69 H SER 69 6.572 3.156 0.099 534 HA SER 69 HA SER 69 4.193 3.942 1.625 535 HB2 SER 69 HB2 SER 69 4.172 1.866 2.966 536 HB3 SER 69 HB3 SER 69 3.825 1.538 1.238 537 HG SER 69 HG SER 69 5.349 0.076 2.137 538 H THR 70 H THR 70 7.484 3.774 1.167 539 HA THR 70 HA THR 70 8.103 4.693 3.916 540 HB THR 70 HB THR 70 8.444 2.397 4.253 541 HG1 THR 70 HG1 THR 70 10.684 2.197 4.354 542 HG21 THR 70 HG21 THR 70 9.583 2.344 1.440 543 HG22 THR 70 HG22 THR 70 9.799 1.006 2.598 544 HG23 THR 70 HG23 THR 70 8.172 1.473 2.084 545 H ALA 71 H ALA 71 10.447 5.395 4.056 546 HA ALA 71 HA ALA 71 10.784 7.383 2.030 547 HB1 ALA 71 HB1 ALA 71 11.280 7.752 4.414 548 HB2 ALA 71 HB2 ALA 71 12.612 6.568 4.319 549 HB3 ALA 71 HB3 ALA 71 12.701 8.085 3.400 550 H GLU 72 H GLU 72 11.830 4.105 1.979 551 HA GLU 72 HA GLU 72 14.187 4.661 0.331 552 HB2 GLU 72 HB2 GLU 72 14.096 2.217 -0.083 553 HB3 GLU 72 HB3 GLU 72 14.123 2.617 1.647 554 HG2 GLU 72 HG2 GLU 72 11.628 2.366 1.663 555 HG3 GLU 72 HG3 GLU 72 11.703 1.808 -0.008 556 H HIS 73 H HIS 73 10.818 4.816 -0.082 557 HA HIS 73 HA HIS 73 11.028 4.251 -2.997 558 HB2 HIS 73 HB2 HIS 73 8.723 3.916 -1.062 559 HB3 HIS 73 HB3 HIS 73 8.562 3.830 -2.811 560 HD2 HIS 73 HD2 HIS 73 11.733 2.169 -2.456 561 HE1 HIS 73 HE1 HIS 73 8.976 -0.955 -1.605 562 HE2 HIS 73 HE2 HIS 73 11.393 -0.410 -2.210 563 H VAL 74 H VAL 74 10.670 6.732 -0.700 564 HA VAL 74 HA VAL 74 8.687 8.392 -1.834 565 HB VAL 74 HB VAL 74 9.802 8.702 0.374 566 HG11 VAL 74 HG11 VAL 74 11.967 9.728 0.561 567 HG12 VAL 74 HG12 VAL 74 12.160 8.275 -0.445 568 HG13 VAL 74 HG13 VAL 74 12.127 9.883 -1.198 569 HG21 VAL 74 HG21 VAL 74 10.116 11.067 -1.511 570 HG22 VAL 74 HG22 VAL 74 8.583 10.578 -0.751 571 HG23 VAL 74 HG23 VAL 74 9.933 11.157 0.262 572 H ALA 75 H ALA 75 11.989 7.745 -2.749 573 HA ALA 75 HA ALA 75 12.583 9.971 -4.402 574 HB1 ALA 75 HB1 ALA 75 13.381 7.040 -4.692 575 HB2 ALA 75 HB2 ALA 75 14.272 8.446 -5.330 576 HB3 ALA 75 HB3 ALA 75 14.165 8.182 -3.561 577 H ILE 76 H ILE 76 10.650 7.130 -4.863 578 HA ILE 76 HA ILE 76 10.769 7.323 -7.824 579 HB ILE 76 HB ILE 76 9.854 5.124 -5.933 580 HG12 ILE 76 HG12 ILE 76 12.359 5.693 -5.854 581 HG13 ILE 76 HG13 ILE 76 11.934 4.137 -6.229 582 HG21 ILE 76 HG21 ILE 76 10.196 5.448 -8.918 583 HG22 ILE 76 HG22 ILE 76 10.172 3.837 -8.147 584 HG23 ILE 76 HG23 ILE 76 8.751 4.909 -8.027 585 HD11 ILE 76 HD11 ILE 76 13.734 5.063 -7.724 586 HD12 ILE 76 HD12 ILE 76 12.320 4.671 -8.728 587 HD13 ILE 76 HD13 ILE 76 12.640 6.358 -8.258 588 H ARG 77 H ARG 77 8.744 7.189 -4.981 589 HA ARG 77 HA ARG 77 6.151 7.374 -6.143 590 HB2 ARG 77 HB2 ARG 77 6.587 6.963 -3.756 591 HB3 ARG 77 HB3 ARG 77 7.261 8.587 -3.565 592 HG2 ARG 77 HG2 ARG 77 4.544 8.475 -4.760 593 HG3 ARG 77 HG3 ARG 77 4.650 7.911 -3.079 594 HD2 ARG 77 HD2 ARG 77 5.844 10.000 -2.455 595 HD3 ARG 77 HD3 ARG 77 5.619 10.611 -4.096 596 HE ARG 77 HE ARG 77 3.629 10.457 -1.963 597 HH11 ARG 77 HH11 ARG 77 4.077 10.628 -5.471 598 HH12 ARG 77 HH12 ARG 77 2.482 11.284 -5.749 599 HH21 ARG 77 HH21 ARG 77 1.577 11.316 -2.360 600 HH22 ARG 77 HH22 ARG 77 1.069 11.670 -3.998 601 H SER 78 H SER 78 8.790 9.555 -6.083 602 HA SER 78 HA SER 78 7.189 11.959 -6.686 603 HB2 SER 78 HB2 SER 78 9.346 11.794 -5.205 604 HB3 SER 78 HB3 SER 78 10.208 11.456 -6.699 605 HG SER 78 HG SER 78 10.197 13.705 -6.114 606 H LYS 79 H LYS 79 8.679 9.371 -8.423 607 HA LYS 79 HA LYS 79 8.941 11.085 -10.865 608 HB2 LYS 79 HB2 LYS 79 10.091 8.353 -10.177 609 HB3 LYS 79 HB3 LYS 79 10.305 9.213 -11.728 610 HG2 LYS 79 HG2 LYS 79 11.331 11.119 -10.537 611 HG3 LYS 79 HG3 LYS 79 11.160 10.259 -9.000 612 HD2 LYS 79 HD2 LYS 79 12.643 8.449 -9.859 613 HD3 LYS 79 HD3 LYS 79 12.819 9.341 -11.396 614 HE2 LYS 79 HE2 LYS 79 13.678 11.291 -10.174 615 HE3 LYS 79 HE3 LYS 79 13.470 10.423 -8.634 616 HZ1 LYS 79 HZ1 LYS 79 15.710 10.283 -9.274 617 HZ2 LYS 79 HZ2 LYS 79 15.062 8.797 -9.489 618 HZ3 LYS 79 HZ3 LYS 79 15.353 9.759 -10.797 619 H LEU 80 H LEU 80 7.362 8.215 -9.536 620 HA LEU 80 HA LEU 80 6.080 7.330 -11.944 621 HB2 LEU 80 HB2 LEU 80 5.503 7.163 -8.982 622 HB3 LEU 80 HB3 LEU 80 4.418 6.429 -10.152 623 HG LEU 80 HG LEU 80 5.877 4.691 -10.661 624 HD11 LEU 80 HD11 LEU 80 7.646 5.900 -11.603 625 HD12 LEU 80 HD12 LEU 80 8.325 6.235 -9.971 626 HD13 LEU 80 HD13 LEU 80 8.134 4.551 -10.569 627 HD21 LEU 80 HD21 LEU 80 5.328 4.644 -8.269 628 HD22 LEU 80 HD22 LEU 80 6.953 3.972 -8.574 629 HD23 LEU 80 HD23 LEU 80 6.766 5.612 -7.899 630 H GLN 81 H GLN 81 5.842 10.252 -10.319 631 HA GLN 81 HA GLN 81 3.101 10.831 -11.209 632 HB2 GLN 81 HB2 GLN 81 5.188 11.632 -9.197 633 HB3 GLN 81 HB3 GLN 81 4.154 12.954 -9.682 634 HG2 GLN 81 HG2 GLN 81 3.608 11.547 -7.626 635 HG3 GLN 81 HG3 GLN 81 2.286 12.019 -8.759 636 HE21 GLN 81 HE22 GLN 81 4.532 9.338 -7.970 637 HE22 GLN 81 HE21 GLN 81 3.418 8.068 -8.445 638 H TYR 82 H TYR 82 6.324 11.199 -12.242 639 HA TYR 82 HA TYR 82 5.731 13.786 -13.634 640 HB2 TYR 82 HB2 TYR 82 7.765 13.874 -12.368 641 HB3 TYR 82 HB3 TYR 82 8.291 12.298 -12.985 642 HD1 TYR 82 HD2 TYR 82 7.581 15.807 -14.088 643 HD2 TYR 82 HD1 TYR 82 9.576 12.097 -14.913 644 HE1 TYR 82 HE2 TYR 82 8.859 16.908 -15.919 645 HE2 TYR 82 HE1 TYR 82 10.930 13.210 -16.689 646 HH TYR 82 HH TYR 82 11.281 15.138 -17.867 647 H ARG 83 H ARG 83 7.566 10.752 -14.362 648 HA ARG 83 HA ARG 83 7.046 11.245 -17.191 649 HB2 ARG 83 HB2 ARG 83 8.480 9.535 -17.731 650 HB3 ARG 83 HB3 ARG 83 9.227 10.421 -16.429 651 HG2 ARG 83 HG2 ARG 83 7.869 7.711 -16.130 652 HG3 ARG 83 HG3 ARG 83 9.602 7.997 -16.315 653 HD2 ARG 83 HD2 ARG 83 9.023 9.635 -14.157 654 HD3 ARG 83 HD3 ARG 83 7.894 8.267 -13.961 655 HE ARG 83 HE ARG 83 9.690 6.852 -13.537 656 HH11 ARG 83 HH11 ARG 83 10.890 9.982 -14.671 657 HH12 ARG 83 HH12 ARG 83 12.541 9.636 -14.236 658 HH21 ARG 83 HH21 ARG 83 11.842 6.462 -12.914 659 HH22 ARG 83 HH22 ARG 83 13.084 7.650 -13.247 660 H LEU 84 H LEU 84 5.235 10.122 -14.761 661 HA LEU 84 HA LEU 84 3.524 8.257 -16.203 662 HB2 LEU 84 HB2 LEU 84 3.314 8.304 -13.796 663 HB3 LEU 84 HB3 LEU 84 3.311 10.037 -13.744 664 HG LEU 84 HG LEU 84 1.066 10.159 -14.690 665 HD11 LEU 84 HD11 LEU 84 1.153 7.106 -14.711 666 HD12 LEU 84 HD12 LEU 84 -0.284 8.124 -15.010 667 HD13 LEU 84 HD13 LEU 84 1.067 8.150 -16.143 668 HD21 LEU 84 HD21 LEU 84 1.495 9.916 -12.250 669 HD22 LEU 84 HD22 LEU 84 -0.082 9.261 -12.738 670 HD23 LEU 84 HD23 LEU 84 1.280 8.164 -12.410 671 H GLU 85 H GLU 85 3.779 11.803 -15.753 672 HA GLU 85 HA GLU 85 1.108 12.228 -16.909 673 HB2 GLU 85 HB2 GLU 85 3.237 14.041 -15.717 674 HB3 GLU 85 HB3 GLU 85 1.658 14.612 -16.322 675 HG2 GLU 85 HG2 GLU 85 0.545 12.995 -14.757 676 HG3 GLU 85 HG3 GLU 85 2.129 12.614 -14.076 677 H LEU 86 H LEU 86 4.514 12.599 -17.873 678 HA LEU 86 HA LEU 86 3.820 14.371 -20.067 679 HB2 LEU 86 HB2 LEU 86 6.120 14.488 -20.440 680 HB3 LEU 86 HB3 LEU 86 5.953 14.237 -18.691 681 HG LEU 86 HG LEU 86 6.307 11.691 -19.314 682 HD11 LEU 86 HD11 LEU 86 7.653 13.147 -21.643 683 HD12 LEU 86 HD12 LEU 86 7.835 11.426 -21.233 684 HD13 LEU 86 HD13 LEU 86 6.278 12.043 -21.809 685 HD21 LEU 86 HD21 LEU 86 7.799 13.114 -17.944 686 HD22 LEU 86 HD22 LEU 86 8.727 12.039 -19.014 687 HD23 LEU 86 HD23 LEU 86 8.535 13.763 -19.423 688 H ALA 87 H ALA 87 4.381 10.897 -19.603 689 HA ALA 87 HA ALA 87 4.583 10.058 -22.226 690 HB1 ALA 87 HB1 ALA 87 3.398 8.784 -19.719 691 HB2 ALA 87 HB2 ALA 87 3.855 7.875 -21.168 692 HB3 ALA 87 HB3 ALA 87 5.096 8.738 -20.225 693 H GLN 88 H GLN 88 1.635 9.996 -20.100 694 HA GLN 88 HA GLN 88 -0.243 9.344 -22.107 695 HB2 GLN 88 HB2 GLN 88 -1.898 10.281 -20.542 696 HB3 GLN 88 HB3 GLN 88 -0.801 9.016 -19.909 697 HG2 GLN 88 HG2 GLN 88 0.584 10.705 -18.843 698 HG3 GLN 88 HG3 GLN 88 -0.385 11.999 -19.544 699 HE21 GLN 88 HE22 GLN 88 0.082 9.885 -16.896 700 HE22 GLN 88 HE21 GLN 88 -1.427 10.146 -16.045 701 H GLY 89 H GLY 89 1.385 12.329 -21.471 702 HA2 GLY 89 HA2 GLY 89 -0.601 13.955 -22.956 703 HA3 GLY 89 HA3 GLY 89 0.819 14.535 -22.050 704 H ALA 90 H ALA 90 1.520 11.766 -23.909 705 HA ALA 90 HA ALA 90 2.483 13.311 -26.271 706 HB1 ALA 90 HB1 ALA 90 4.042 11.375 -24.550 707 HB2 ALA 90 HB2 ALA 90 4.650 12.182 -26.009 708 HB3 ALA 90 HB3 ALA 90 4.296 13.152 -24.546 709 H VAL 91 H VAL 91 1.217 10.350 -24.836 710 HA VAL 91 HA VAL 91 2.365 8.349 -26.366 711 HB VAL 91 HB VAL 91 -0.503 8.496 -25.893 712 HG11 VAL 91 HG11 VAL 91 1.520 6.218 -25.667 713 HG12 VAL 91 HG12 VAL 91 -0.242 6.037 -25.480 714 HG13 VAL 91 HG13 VAL 91 0.423 6.506 -27.059 715 HG21 VAL 91 HG21 VAL 91 0.289 9.260 -23.888 716 HG22 VAL 91 HG22 VAL 91 -0.351 7.618 -23.676 717 HG23 VAL 91 HG23 VAL 91 1.415 7.863 -23.691 718 H GLY 92 H GLY 92 -0.567 10.110 -27.146 719 HA2 GLY 92 HA2 GLY 92 -0.985 8.807 -29.688 720 HA3 GLY 92 HA3 GLY 92 -1.913 10.162 -29.010 721 H SER 93 H SER 93 1.220 11.218 -28.890 722 HA SER 93 HA SER 93 2.317 12.876 -30.010 723 HB2 SER 93 HB2 SER 93 2.822 10.807 -31.351 724 HB3 SER 93 HB3 SER 93 1.567 11.325 -32.500 725 HG SER 93 HG SER 93 3.705 12.031 -33.041 726 H VAL 94 H VAL 94 2.096 14.135 -32.346 727 HA VAL 94 HA VAL 94 1.305 16.098 -33.064 728 HB VAL 94 HB VAL 94 -1.291 14.532 -33.231 729 HG11 VAL 94 HG11 VAL 94 -0.238 16.988 -34.725 730 HG12 VAL 94 HG12 VAL 94 -1.770 16.140 -35.073 731 HG13 VAL 94 HG13 VAL 94 -1.545 16.988 -33.526 732 HG21 VAL 94 HG21 VAL 94 0.592 13.370 -34.319 733 HG22 VAL 94 HG22 VAL 94 -0.501 14.054 -35.544 734 HG23 VAL 94 HG23 VAL 94 1.034 14.871 -35.171 735 H GLN 95 H GLN 95 1.538 17.605 -31.638 736 HA GLN 95 HA GLN 95 -0.265 17.971 -29.410 737 HB2 GLN 95 HB2 GLN 95 1.995 19.675 -30.559 738 HB3 GLN 95 HB3 GLN 95 1.164 19.913 -29.017 739 HG2 GLN 95 HG2 GLN 95 3.165 18.763 -28.458 740 HG3 GLN 95 HG3 GLN 95 1.896 17.529 -28.398 741 HE21 GLN 95 HE22 GLN 95 2.614 15.606 -29.247 742 HE22 GLN 95 HE21 GLN 95 3.710 15.463 -30.606 743 H ILE 96 H ILE 96 -0.571 18.673 -32.695 744 HA ILE 96 HA ILE 96 -2.484 20.861 -32.128 745 HB ILE 96 HB ILE 96 -0.527 21.001 -34.443 746 HG12 ILE 96 HG12 ILE 96 -0.377 22.413 -31.742 747 HG13 ILE 96 HG13 ILE 96 0.751 21.175 -32.333 748 HG21 ILE 96 HG21 ILE 96 -2.335 23.086 -33.135 749 HG22 ILE 96 HG22 ILE 96 -1.345 23.314 -34.600 750 HG23 ILE 96 HG23 ILE 96 -2.727 22.223 -34.632 751 HD11 ILE 96 HD11 ILE 96 1.341 22.673 -34.242 752 HD12 ILE 96 HD12 ILE 96 0.342 23.949 -33.504 753 HD13 ILE 96 HD13 ILE 96 1.765 23.330 -32.647 754 HA PRO 97 HA PRO 97 -4.019 17.471 -35.007 755 HB2 PRO 97 HB2 PRO 97 -6.016 16.473 -33.440 756 HB3 PRO 97 HB3 PRO 97 -4.309 15.948 -33.259 757 HG2 PRO 97 HG2 PRO 97 -5.782 18.052 -31.645 758 HG3 PRO 97 HG3 PRO 97 -4.804 16.676 -31.038 759 HD2 PRO 97 HD2 PRO 97 -3.737 19.176 -31.298 760 HD3 PRO 97 HD3 PRO 97 -2.786 17.707 -31.686 761 H VAL 98 H VAL 98 -6.368 17.254 -35.769 762 HA VAL 98 HA VAL 98 -7.567 19.866 -36.139 763 HB VAL 98 HB VAL 98 -8.661 17.150 -36.921 764 HG11 VAL 98 HG11 VAL 98 -9.765 18.468 -38.722 765 HG12 VAL 98 HG12 VAL 98 -10.284 19.017 -37.125 766 HG13 VAL 98 HG13 VAL 98 -9.080 19.959 -38.044 767 HG21 VAL 98 HG21 VAL 98 -7.576 17.578 -39.131 768 HG22 VAL 98 HG22 VAL 98 -6.779 19.010 -38.447 769 HG23 VAL 98 HG23 VAL 98 -6.385 17.387 -37.837 770 H VAL 99 H VAL 99 -7.589 19.962 -33.666 771 HA VAL 99 HA VAL 99 -9.520 18.524 -32.190 772 HB VAL 99 HB VAL 99 -7.273 19.630 -31.569 773 HG11 VAL 99 HG11 VAL 99 -8.985 22.118 -31.230 774 HG12 VAL 99 HG12 VAL 99 -7.261 21.928 -30.860 775 HG13 VAL 99 HG13 VAL 99 -7.834 21.853 -32.550 776 HG21 VAL 99 HG21 VAL 99 -8.739 18.601 -29.952 777 HG22 VAL 99 HG22 VAL 99 -7.904 20.019 -29.280 778 HG23 VAL 99 HG23 VAL 99 -9.626 20.138 -29.746 779 H GLU 100 H GLU 100 -10.622 19.848 -34.467 780 HA GLU 100 HA GLU 100 -12.039 22.191 -34.098 781 HB2 GLU 100 HB2 GLU 100 -11.797 21.000 -36.203 782 HB3 GLU 100 HB3 GLU 100 -12.779 19.641 -35.595 783 HG2 GLU 100 HG2 GLU 100 -14.747 20.949 -35.478 784 HG3 GLU 100 HG3 GLU 100 -13.784 22.423 -35.735 785 H VAL 101 H VAL 101 -14.012 22.783 -33.396 786 HA VAL 101 HA VAL 101 -15.769 20.807 -32.053 787 HB VAL 101 HB VAL 101 -15.005 23.520 -30.915 788 HG11 VAL 101 HG11 VAL 101 -16.739 21.262 -29.808 789 HG12 VAL 101 HG12 VAL 101 -16.293 22.741 -28.937 790 HG13 VAL 101 HG13 VAL 101 -17.317 22.849 -30.376 791 HG21 VAL 101 HG21 VAL 101 -13.145 21.946 -30.655 792 HG22 VAL 101 HG22 VAL 101 -13.943 22.209 -29.088 793 HG23 VAL 101 HG23 VAL 101 -14.249 20.712 -30.010 794 H ASP 102 H ASP 102 -17.853 21.078 -32.637 795 HA ASP 102 HA ASP 102 -18.846 23.637 -33.631 796 HB2 ASP 102 HB2 ASP 102 -17.679 22.614 -35.584 797 HB3 ASP 102 HB3 ASP 102 -18.663 21.166 -35.426 798 H GLU 103 H GLU 103 -19.269 21.817 -31.442 799 HA GLU 103 HA GLU 103 -20.720 20.469 -30.365 800 HB2 GLU 103 HB2 GLU 103 -22.759 21.526 -29.806 801 HB3 GLU 103 HB3 GLU 103 -21.494 22.743 -29.928 802 HG2 GLU 103 HG2 GLU 103 -23.466 22.154 -32.174 803 HG3 GLU 103 HG3 GLU 103 -23.833 23.258 -30.857 804 H LEU 104 H LEU 104 -23.472 20.067 -30.537 805 HA LEU 104 HA LEU 104 -23.760 17.685 -31.853 806 HB2 LEU 104 HB2 LEU 104 -25.849 17.810 -30.880 807 HB3 LEU 104 HB3 LEU 104 -24.833 18.608 -29.861 808 HG LEU 104 HG LEU 104 -25.613 20.823 -30.471 809 HD11 LEU 104 HD11 LEU 104 -27.366 19.299 -32.438 810 HD12 LEU 104 HD12 LEU 104 -27.714 20.952 -31.905 811 HD13 LEU 104 HD13 LEU 104 -26.246 20.645 -32.856 812 HD21 LEU 104 HD21 LEU 104 -27.967 20.380 -29.716 813 HD22 LEU 104 HD22 LEU 104 -27.763 18.715 -30.336 814 HD23 LEU 104 HD23 LEU 104 -26.836 19.235 -28.904 815 HA PRO 105 HA PRO 105 -24.898 18.096 -35.918 816 HB2 PRO 105 HB2 PRO 105 -26.544 16.037 -36.243 817 HB3 PRO 105 HB3 PRO 105 -25.083 15.849 -35.136 818 HG2 PRO 105 HG2 PRO 105 -27.817 16.493 -34.159 819 HG3 PRO 105 HG3 PRO 105 -26.798 15.043 -33.788 820 HD2 PRO 105 HD2 PRO 105 -26.666 17.356 -32.378 821 HD3 PRO 105 HD3 PRO 105 -25.213 16.340 -32.605 822 H GLU 106 H GLU 106 -26.720 18.118 -37.603 823 HA GLU 106 HA GLU 106 -28.499 20.337 -37.005 824 HB2 GLU 106 HB2 GLU 106 -28.972 20.255 -39.425 825 HB3 GLU 106 HB3 GLU 106 -27.230 20.211 -39.118 826 HG2 GLU 106 HG2 GLU 106 -27.227 17.757 -39.415 827 HG3 GLU 106 HG3 GLU 106 -28.975 17.787 -39.708 828 H GLY 107 H GLY 107 -28.975 17.517 -35.845 829 HA2 GLY 107 HA2 GLY 107 -31.863 17.501 -36.213 830 HA3 GLY 107 HA3 GLY 107 -31.063 16.114 -36.967 831 H TYR 108 H TYR 108 -29.964 17.718 -33.957 832 HA TYR 108 HA TYR 108 -29.715 15.266 -32.541 833 HB2 TYR 108 HB2 TYR 108 -28.451 17.467 -32.285 834 HB3 TYR 108 HB3 TYR 108 -29.864 18.133 -31.510 835 HD1 TYR 108 HD1 TYR 108 -27.135 15.670 -31.277 836 HD2 TYR 108 HD2 TYR 108 -30.402 17.537 -29.203 837 HE1 TYR 108 HE1 TYR 108 -26.064 15.122 -29.139 838 HE2 TYR 108 HE2 TYR 108 -29.387 16.914 -27.030 839 HH TYR 108 HH TYR 108 -26.256 15.161 -26.824 840 H ASP 109 H ASP 109 -30.720 14.894 -30.402 841 HA ASP 109 HA ASP 109 -33.404 16.025 -29.949 842 HB2 ASP 109 HB2 ASP 109 -32.835 13.044 -30.259 843 HB3 ASP 109 HB3 ASP 109 -34.299 13.695 -29.533 844 H ARG 110 H ARG 110 -34.167 15.602 -27.751 845 HA ARG 110 HA ARG 110 -32.111 14.661 -25.843 846 HB2 ARG 110 HB2 ARG 110 -31.785 17.140 -26.460 847 HB3 ARG 110 HB3 ARG 110 -33.321 17.441 -25.630 848 HG2 ARG 110 HG2 ARG 110 -32.333 16.471 -23.532 849 HG3 ARG 110 HG3 ARG 110 -30.794 16.231 -24.402 850 HD2 ARG 110 HD2 ARG 110 -30.710 18.666 -24.872 851 HD3 ARG 110 HD3 ARG 110 -32.231 18.874 -23.982 852 HE ARG 110 HE ARG 110 -30.410 17.543 -22.275 853 HH11 ARG 110 HH11 ARG 110 -30.754 20.687 -23.846 854 HH12 ARG 110 HH12 ARG 110 -29.871 21.539 -22.597 855 HH21 ARG 110 HH21 ARG 110 -29.257 18.679 -20.659 856 HH22 ARG 110 HH22 ARG 110 -29.029 20.404 -20.795 857 H SER 111 H SER 111 -35.198 14.454 -26.863 858 HA SER 111 HA SER 111 -36.245 13.869 -24.177 859 HB2 SER 111 HB2 SER 111 -38.245 15.256 -24.535 860 HB3 SER 111 HB3 SER 111 -36.759 16.241 -24.516 861 HG SER 111 HG SER 111 -38.130 16.791 -26.272 862 H1 ALA 701 H1 ALA 701 16.505 23.440 -13.478 863 H2 ALA 701 H2 ALA 701 15.576 24.068 -14.691 864 H3 ALA 701 H3 ALA 701 17.190 23.838 -14.919 865 HA ALA 701 HA ALA 701 15.206 21.726 -14.495 866 HB1 ALA 701 HB1 ALA 701 16.735 22.505 -17.014 867 HB2 ALA 701 HB2 ALA 701 15.659 21.101 -16.835 868 HB3 ALA 701 HB3 ALA 701 14.998 22.750 -16.722 869 H ASP 702 H ASP 702 16.226 20.511 -13.001 870 HA ASP 702 HA ASP 702 18.767 19.246 -13.788 871 HB2 ASP 702 HB2 ASP 702 18.315 20.776 -11.183 872 HB3 ASP 702 HB3 ASP 702 19.714 19.730 -11.510 873 H THR 703 H THR 703 15.848 18.551 -13.400 874 HA THR 703 HA THR 703 15.391 17.101 -11.010 875 HB THR 703 HB THR 703 13.602 17.673 -12.544 876 HG1 THR 703 HG1 THR 703 12.589 15.757 -12.304 877 HG21 THR 703 HG21 THR 703 14.902 15.578 -14.367 878 HG22 THR 703 HG22 THR 703 13.313 16.337 -14.632 879 HG23 THR 703 HG23 THR 703 14.800 17.309 -14.704 880 H GLU 704 H GLU 704 15.709 15.129 -10.276 881 HA GLU 704 HA GLU 704 17.661 13.367 -11.532 882 HB2 GLU 704 HB2 GLU 704 17.047 11.883 -9.602 883 HB3 GLU 704 HB3 GLU 704 17.606 13.498 -9.124 884 HG2 GLU 704 HG2 GLU 704 15.332 14.251 -8.762 885 HG3 GLU 704 HG3 GLU 704 14.669 12.747 -9.409 886 H MET 705 H MET 705 14.412 14.023 -12.157 887 HA MET 705 HA MET 705 13.326 11.474 -12.729 888 HB2 MET 705 HB2 MET 705 12.905 14.235 -13.877 889 HB3 MET 705 HB3 MET 705 12.035 12.793 -14.497 890 HG2 MET 705 HG2 MET 705 11.118 12.265 -12.442 891 HG3 MET 705 HG3 MET 705 12.349 13.149 -11.550 892 HE1 MET 705 HE1 MET 705 11.101 13.738 -10.040 893 HE2 MET 705 HE2 MET 705 9.405 14.352 -10.087 894 HE3 MET 705 HE3 MET 705 9.857 12.769 -10.852 895 H GLU 706 H GLU 706 15.454 13.752 -14.404 896 HA GLU 706 HA GLU 706 15.453 12.315 -16.914 897 HB2 GLU 706 HB2 GLU 706 15.828 14.906 -16.177 898 HB3 GLU 706 HB3 GLU 706 17.502 14.426 -16.359 899 HG2 GLU 706 HG2 GLU 706 15.220 14.189 -18.389 900 HG3 GLU 706 HG3 GLU 706 16.561 15.340 -18.461 901 H GLU 707 H GLU 707 16.442 11.269 -14.193 902 HA GLU 707 HA GLU 707 18.825 9.835 -15.182 903 HB2 GLU 707 HB2 GLU 707 19.424 11.762 -13.618 904 HB3 GLU 707 HB3 GLU 707 18.582 10.876 -12.336 905 HG2 GLU 707 HG2 GLU 707 20.156 9.022 -12.533 906 HG3 GLU 707 HG3 GLU 707 20.820 9.696 -14.036 907 H VAL 708 H VAL 708 18.928 8.109 -12.771 908 HA VAL 708 HA VAL 708 16.196 6.966 -13.035 909 HB VAL 708 HB VAL 708 16.829 4.934 -13.627 910 HG11 VAL 708 HG11 VAL 708 19.112 6.617 -14.707 911 HG12 VAL 708 HG12 VAL 708 18.509 5.092 -15.376 912 HG13 VAL 708 HG13 VAL 708 17.442 6.527 -15.368 913 HG21 VAL 708 HG21 VAL 708 19.614 5.434 -12.527 914 HG22 VAL 708 HG22 VAL 708 18.375 4.317 -11.881 915 HG23 VAL 708 HG23 VAL 708 19.100 3.995 -13.460 916 H ASP 709 H ASP 709 16.213 4.863 -11.456 917 HA ASP 709 HA ASP 709 15.351 4.549 -9.449 918 HB2 ASP 709 HB2 ASP 709 17.028 4.147 -7.674 919 HB3 ASP 709 HB3 ASP 709 17.304 3.340 -9.196 Start of MODEL 14 1 H1 SER 2 H1 SER 2 23.432 -6.982 -2.903 2 H2 SER 2 H2 SER 2 25.021 -6.556 -2.993 3 H3 SER 2 H3 SER 2 24.600 -8.141 -2.848 4 HA SER 2 HA SER 2 24.008 -6.403 -5.138 5 HB2 SER 2 HB2 SER 2 26.008 -8.677 -4.855 6 HB3 SER 2 HB3 SER 2 25.629 -7.807 -6.358 7 HG SER 2 HG SER 2 27.476 -7.009 -5.159 8 H GLN 3 H GLN 3 21.782 -7.018 -5.113 9 HA GLN 3 HA GLN 3 21.326 -9.609 -6.413 10 HB2 GLN 3 HB2 GLN 3 21.223 -10.008 -3.927 11 HB3 GLN 3 HB3 GLN 3 19.892 -8.854 -3.834 12 HG2 GLN 3 HG2 GLN 3 19.133 -11.217 -3.855 13 HG3 GLN 3 HG3 GLN 3 18.489 -10.313 -5.218 14 HE21 GLN 3 HE22 GLN 3 18.309 -11.788 -6.860 15 HE22 GLN 3 HE21 GLN 3 19.600 -12.846 -7.400 16 H PHE 4 H PHE 4 20.865 -6.336 -6.352 17 HA PHE 4 HA PHE 4 18.497 -6.389 -8.067 18 HB2 PHE 4 HB2 PHE 4 17.395 -6.495 -5.887 19 HB3 PHE 4 HB3 PHE 4 18.480 -5.273 -5.228 20 HD1 PHE 4 HD2 PHE 4 18.285 -2.847 -5.994 21 HD2 PHE 4 HD1 PHE 4 15.397 -5.872 -7.042 22 HE1 PHE 4 HE2 PHE 4 16.594 -1.105 -6.388 23 HE2 PHE 4 HE1 PHE 4 13.728 -4.110 -7.506 24 HZ PHE 4 HZ PHE 4 14.354 -1.702 -7.235 25 H GLU 5 H GLU 5 20.754 -4.702 -5.965 26 HA GLU 5 HA GLU 5 20.839 -2.146 -6.938 27 HB2 GLU 5 HB2 GLU 5 23.058 -4.032 -6.088 28 HB3 GLU 5 HB3 GLU 5 23.205 -2.281 -6.105 29 HG2 GLU 5 HG2 GLU 5 21.400 -2.036 -4.470 30 HG3 GLU 5 HG3 GLU 5 21.122 -3.782 -4.455 31 H LYS 6 H LYS 6 22.545 -5.082 -8.361 32 HA LYS 6 HA LYS 6 24.181 -3.321 -9.975 33 HB2 LYS 6 HB2 LYS 6 23.825 -6.255 -9.552 34 HB3 LYS 6 HB3 LYS 6 24.438 -5.768 -11.131 35 HG2 LYS 6 HG2 LYS 6 26.300 -6.193 -9.615 36 HG3 LYS 6 HG3 LYS 6 26.251 -4.496 -10.137 37 HD2 LYS 6 HD2 LYS 6 25.205 -3.861 -7.984 38 HD3 LYS 6 HD3 LYS 6 25.240 -5.566 -7.458 39 HE2 LYS 6 HE2 LYS 6 27.696 -5.581 -7.722 40 HE3 LYS 6 HE3 LYS 6 27.657 -3.888 -8.246 41 HZ1 LYS 6 HZ1 LYS 6 26.743 -3.313 -6.091 42 HZ2 LYS 6 HZ2 LYS 6 26.813 -4.889 -5.610 43 HZ3 LYS 6 HZ3 LYS 6 28.194 -4.066 -5.918 44 H GLN 7 H GLN 7 21.315 -5.390 -10.420 45 HA GLN 7 HA GLN 7 20.862 -5.002 -13.164 46 HB2 GLN 7 HB2 GLN 7 18.991 -5.326 -10.794 47 HB3 GLN 7 HB3 GLN 7 18.545 -5.636 -12.496 48 HG2 GLN 7 HG2 GLN 7 20.883 -7.054 -11.121 49 HG3 GLN 7 HG3 GLN 7 19.226 -7.618 -11.002 50 HE21 GLN 7 HE22 GLN 7 18.710 -9.162 -12.434 51 HE22 GLN 7 HE21 GLN 7 19.381 -9.298 -14.054 52 H LYS 8 H LYS 8 20.835 -2.771 -10.545 53 HA LYS 8 HA LYS 8 19.008 -0.834 -11.860 54 HB2 LYS 8 HB2 LYS 8 18.634 -1.742 -9.543 55 HB3 LYS 8 HB3 LYS 8 20.128 -0.954 -9.042 56 HG2 LYS 8 HG2 LYS 8 19.144 1.264 -9.779 57 HG3 LYS 8 HG3 LYS 8 17.632 0.397 -10.171 58 HD2 LYS 8 HD2 LYS 8 17.511 1.341 -7.917 59 HD3 LYS 8 HD3 LYS 8 17.557 -0.442 -7.853 60 HE2 LYS 8 HE2 LYS 8 19.713 -0.472 -6.969 61 HE3 LYS 8 HE3 LYS 8 20.129 1.037 -7.812 62 HZ1 LYS 8 HZ1 LYS 8 18.397 0.847 -5.427 63 HZ2 LYS 8 HZ2 LYS 8 19.961 1.349 -5.420 64 HZ3 LYS 8 HZ3 LYS 8 18.828 2.235 -6.207 65 H GLU 9 H GLU 9 22.297 -1.566 -11.502 66 HA GLU 9 HA GLU 9 23.115 1.302 -11.860 67 HB2 GLU 9 HB2 GLU 9 24.583 -1.026 -10.614 68 HB3 GLU 9 HB3 GLU 9 25.272 0.592 -10.864 69 HG2 GLU 9 HG2 GLU 9 22.615 0.294 -9.474 70 HG3 GLU 9 HG3 GLU 9 24.077 -0.089 -8.579 71 H GLN 10 H GLN 10 23.213 -1.961 -13.098 72 HA GLN 10 HA GLN 10 25.335 -1.473 -15.027 73 HB2 GLN 10 HB2 GLN 10 24.416 -3.765 -14.116 74 HB3 GLN 10 HB3 GLN 10 23.112 -3.527 -15.284 75 HG2 GLN 10 HG2 GLN 10 25.156 -3.064 -16.950 76 HG3 GLN 10 HG3 GLN 10 26.039 -4.026 -15.743 77 HE21 GLN 10 HE22 GLN 10 23.267 -3.961 -17.986 78 HE22 GLN 10 HE21 GLN 10 23.091 -5.686 -18.161 79 H GLY 11 H GLY 11 21.733 -1.680 -15.388 80 HA2 GLY 11 HA2 GLY 11 21.849 -0.683 -18.124 81 HA3 GLY 11 HA3 GLY 11 20.406 -0.934 -17.123 82 H ASN 12 H ASN 12 22.084 0.687 -14.992 83 HA ASN 12 HA ASN 12 20.656 3.110 -15.135 84 HB2 ASN 12 HB2 ASN 12 21.802 1.867 -13.241 85 HB3 ASN 12 HB3 ASN 12 23.339 2.518 -13.831 86 HD21 ASN 12 HD22 ASN 12 21.938 2.783 -11.246 87 HD22 ASN 12 HD21 ASN 12 21.887 4.496 -10.946 88 H SER 13 H SER 13 23.885 2.172 -16.414 89 HA SER 13 HA SER 13 24.344 4.967 -17.230 90 HB2 SER 13 HB2 SER 13 26.472 4.125 -18.063 91 HB3 SER 13 HB3 SER 13 26.191 3.604 -16.387 92 HG SER 13 HG SER 13 26.932 1.889 -17.726 93 H LEU 14 H LEU 14 23.532 1.779 -18.733 94 HA LEU 14 HA LEU 14 23.656 2.396 -21.451 95 HB2 LEU 14 HB2 LEU 14 21.646 0.742 -19.955 96 HB3 LEU 14 HB3 LEU 14 21.968 0.736 -21.691 97 HG LEU 14 HG LEU 14 23.610 -0.349 -19.432 98 HD11 LEU 14 HD11 LEU 14 23.221 -0.952 -22.345 99 HD12 LEU 14 HD12 LEU 14 23.979 -2.055 -21.150 100 HD13 LEU 14 HD13 LEU 14 22.234 -1.639 -21.011 101 HD21 LEU 14 HD21 LEU 14 25.279 1.250 -20.385 102 HD22 LEU 14 HD22 LEU 14 25.667 -0.421 -20.811 103 HD23 LEU 14 HD23 LEU 14 24.901 0.626 -22.020 104 H PHE 15 H PHE 15 20.984 3.108 -19.130 105 HA PHE 15 HA PHE 15 19.081 4.005 -21.019 106 HB2 PHE 15 HB2 PHE 15 18.315 3.553 -18.859 107 HB3 PHE 15 HB3 PHE 15 19.671 4.375 -18.094 108 HD1 PHE 15 HD2 PHE 15 16.673 5.179 -20.208 109 HD2 PHE 15 HD1 PHE 15 19.399 6.472 -17.147 110 HE1 PHE 15 HE2 PHE 15 15.281 7.188 -19.805 111 HE2 PHE 15 HE1 PHE 15 17.897 8.326 -16.572 112 HZ PHE 15 HZ PHE 15 15.862 8.755 -17.953 113 H LYS 16 H LYS 16 21.906 5.543 -19.591 114 HA LYS 16 HA LYS 16 20.984 8.188 -20.338 115 HB2 LYS 16 HB2 LYS 16 23.676 7.420 -19.193 116 HB3 LYS 16 HB3 LYS 16 22.804 8.977 -19.039 117 HG2 LYS 16 HG2 LYS 16 21.034 7.775 -17.732 118 HG3 LYS 16 HG3 LYS 16 21.978 6.286 -17.900 119 HD2 LYS 16 HD2 LYS 16 22.504 7.133 -15.774 120 HD3 LYS 16 HD3 LYS 16 23.925 7.443 -16.784 121 HE2 LYS 16 HE2 LYS 16 23.150 9.797 -17.112 122 HE3 LYS 16 HE3 LYS 16 21.710 9.444 -16.139 123 HZ1 LYS 16 HZ1 LYS 16 23.105 9.050 -14.264 124 HZ2 LYS 16 HZ2 LYS 16 24.475 9.308 -15.146 125 HZ3 LYS 16 HZ3 LYS 16 23.423 10.540 -14.864 126 H GLN 17 H GLN 17 22.404 5.706 -22.118 127 HA GLN 17 HA GLN 17 24.525 7.325 -23.418 128 HB2 GLN 17 HB2 GLN 17 23.740 4.373 -23.459 129 HB3 GLN 17 HB3 GLN 17 24.947 5.066 -24.538 130 HG2 GLN 17 HG2 GLN 17 26.124 5.968 -22.474 131 HG3 GLN 17 HG3 GLN 17 25.091 4.866 -21.536 132 HE21 GLN 17 HE22 GLN 17 24.955 2.595 -23.093 133 HE22 GLN 17 HE21 GLN 17 26.556 1.911 -23.291 134 H GLY 18 H GLY 18 21.306 6.000 -23.984 135 HA2 GLY 18 HA2 GLY 18 20.514 7.242 -26.246 136 HA3 GLY 18 HA3 GLY 18 21.704 6.020 -26.878 137 H LEU 19 H LEU 19 21.185 4.128 -24.833 138 HA LEU 19 HA LEU 19 18.914 2.848 -26.275 139 HB2 LEU 19 HB2 LEU 19 20.109 0.836 -25.193 140 HB3 LEU 19 HB3 LEU 19 20.702 1.467 -26.715 141 HG LEU 19 HG LEU 19 21.913 2.620 -24.184 142 HD11 LEU 19 HD11 LEU 19 22.479 -0.227 -25.116 143 HD12 LEU 19 HD12 LEU 19 23.410 0.678 -23.893 144 HD13 LEU 19 HD13 LEU 19 21.730 0.255 -23.582 145 HD21 LEU 19 HD21 LEU 19 22.702 3.280 -26.443 146 HD22 LEU 19 HD22 LEU 19 23.975 2.468 -25.510 147 HD23 LEU 19 HD23 LEU 19 23.111 1.579 -26.782 148 H TYR 20 H TYR 20 17.083 2.576 -25.096 149 HA TYR 20 HA TYR 20 17.350 3.089 -22.185 150 HB2 TYR 20 HB2 TYR 20 15.125 3.218 -24.186 151 HB3 TYR 20 HB3 TYR 20 15.042 3.971 -22.575 152 HD1 TYR 20 HD1 TYR 20 17.521 5.484 -22.383 153 HD2 TYR 20 HD2 TYR 20 15.005 4.763 -25.783 154 HE1 TYR 20 HE1 TYR 20 18.436 7.525 -23.481 155 HE2 TYR 20 HE2 TYR 20 15.928 6.788 -26.911 156 HH TYR 20 HH TYR 20 18.406 8.856 -25.349 157 H ARG 21 H ARG 21 16.189 0.931 -24.739 158 HA ARG 21 HA ARG 21 14.610 -0.766 -22.944 159 HB2 ARG 21 HB2 ARG 21 15.104 -0.349 -25.815 160 HB3 ARG 21 HB3 ARG 21 15.364 -2.040 -25.444 161 HG2 ARG 21 HG2 ARG 21 12.830 -0.514 -24.784 162 HG3 ARG 21 HG3 ARG 21 13.123 -1.545 -26.214 163 HD2 ARG 21 HD2 ARG 21 13.580 -3.470 -24.671 164 HD3 ARG 21 HD3 ARG 21 13.136 -2.435 -23.300 165 HE ARG 21 HE ARG 21 11.013 -2.358 -25.176 166 HH11 ARG 21 HH11 ARG 21 12.553 -4.647 -22.964 167 HH12 ARG 21 HH12 ARG 21 11.081 -5.560 -22.709 168 HH21 ARG 21 HH21 ARG 21 9.123 -3.565 -24.828 169 HH22 ARG 21 HH22 ARG 21 9.149 -4.952 -23.767 170 H GLU 22 H GLU 22 17.744 -0.870 -24.686 171 HA GLU 22 HA GLU 22 18.573 -3.411 -23.647 172 HB2 GLU 22 HB2 GLU 22 20.264 -0.979 -24.297 173 HB3 GLU 22 HB3 GLU 22 20.863 -2.638 -24.100 174 HG2 GLU 22 HG2 GLU 22 19.449 -3.365 -26.001 175 HG3 GLU 22 HG3 GLU 22 18.896 -1.698 -26.237 176 H ALA 23 H ALA 23 18.160 -0.273 -22.213 177 HA ALA 23 HA ALA 23 19.740 -0.867 -19.815 178 HB1 ALA 23 HB1 ALA 23 19.022 1.384 -19.165 179 HB2 ALA 23 HB2 ALA 23 19.689 1.380 -20.822 180 HB3 ALA 23 HB3 ALA 23 17.940 1.473 -20.564 181 H VAL 24 H VAL 24 16.297 -1.163 -20.945 182 HA VAL 24 HA VAL 24 15.385 -1.205 -18.232 183 HB VAL 24 HB VAL 24 13.272 -1.491 -19.058 184 HG11 VAL 24 HG11 VAL 24 13.912 0.403 -21.216 185 HG12 VAL 24 HG12 VAL 24 12.830 0.552 -19.845 186 HG13 VAL 24 HG13 VAL 24 14.584 0.795 -19.594 187 HG21 VAL 24 HG21 VAL 24 14.230 -2.176 -21.738 188 HG22 VAL 24 HG22 VAL 24 13.175 -3.051 -20.558 189 HG23 VAL 24 HG23 VAL 24 12.585 -1.567 -21.365 190 H HIS 25 H HIS 25 16.509 -3.176 -20.686 191 HA HIS 25 HA HIS 25 15.349 -5.687 -20.141 192 HB2 HIS 25 HB2 HIS 25 17.233 -4.533 -21.864 193 HB3 HIS 25 HB3 HIS 25 18.119 -5.808 -21.121 194 HD2 HIS 25 HD2 HIS 25 16.346 -5.177 -24.061 195 HE1 HIS 25 HE1 HIS 25 14.796 -9.050 -23.232 196 HE2 HIS 25 HE2 HIS 25 15.044 -7.259 -25.021 197 H CYS 26 H CYS 26 17.233 -3.872 -18.076 198 HA CYS 26 HA CYS 26 17.949 -6.286 -16.476 199 HB2 CYS 26 HB2 CYS 26 19.458 -3.645 -16.676 200 HB3 CYS 26 HB3 CYS 26 19.852 -4.987 -15.580 201 HG CYS 26 HG CYS 26 20.133 -6.785 -17.457 202 H TYR 27 H TYR 27 16.702 -3.001 -16.730 203 HA TYR 27 HA TYR 27 15.864 -2.492 -14.056 204 HB2 TYR 27 HB2 TYR 27 14.677 -1.983 -16.795 205 HB3 TYR 27 HB3 TYR 27 14.019 -1.223 -15.439 206 HD1 TYR 27 HD1 TYR 27 17.508 -1.239 -14.735 207 HD2 TYR 27 HD2 TYR 27 14.519 0.628 -17.208 208 HE1 TYR 27 HE1 TYR 27 18.968 0.740 -15.017 209 HE2 TYR 27 HE2 TYR 27 15.901 2.638 -17.403 210 HH TYR 27 HH TYR 27 19.202 2.803 -15.959 211 H ASP 28 H ASP 28 14.491 -4.444 -16.706 212 HA ASP 28 HA ASP 28 11.897 -4.798 -15.618 213 HB2 ASP 28 HB2 ASP 28 12.645 -5.111 -18.007 214 HB3 ASP 28 HB3 ASP 28 13.424 -6.619 -17.496 215 H GLN 29 H GLN 29 15.022 -6.323 -14.993 216 HA GLN 29 HA GLN 29 13.795 -8.533 -13.568 217 HB2 GLN 29 HB2 GLN 29 16.600 -7.694 -14.228 218 HB3 GLN 29 HB3 GLN 29 16.326 -8.835 -12.899 219 HG2 GLN 29 HG2 GLN 29 16.687 -9.981 -15.045 220 HG3 GLN 29 HG3 GLN 29 15.112 -10.364 -14.323 221 HE21 GLN 29 HE22 GLN 29 16.616 -8.038 -16.518 222 HE22 GLN 29 HE21 GLN 29 15.359 -7.982 -17.740 223 H LEU 30 H LEU 30 14.553 -5.229 -12.780 224 HA LEU 30 HA LEU 30 14.952 -5.586 -9.916 225 HB2 LEU 30 HB2 LEU 30 13.623 -3.348 -11.456 226 HB3 LEU 30 HB3 LEU 30 14.205 -3.248 -9.776 227 HG LEU 30 HG LEU 30 15.793 -3.514 -12.309 228 HD11 LEU 30 HD11 LEU 30 15.840 -1.435 -10.086 229 HD12 LEU 30 HD12 LEU 30 16.815 -1.405 -11.574 230 HD13 LEU 30 HD13 LEU 30 15.044 -1.246 -11.667 231 HD21 LEU 30 HD21 LEU 30 16.868 -4.968 -10.638 232 HD22 LEU 30 HD22 LEU 30 17.821 -3.477 -10.804 233 HD23 LEU 30 HD23 LEU 30 16.742 -3.683 -9.409 234 H ILE 31 H ILE 31 12.158 -5.299 -12.130 235 HA ILE 31 HA ILE 31 10.238 -5.363 -9.955 236 HB ILE 31 HB ILE 31 9.723 -6.062 -12.881 237 HG12 ILE 31 HG12 ILE 31 8.870 -3.433 -12.535 238 HG13 ILE 31 HG13 ILE 31 10.385 -3.451 -11.636 239 HG21 ILE 31 HG21 ILE 31 8.143 -4.856 -10.600 240 HG22 ILE 31 HG22 ILE 31 7.488 -5.212 -12.228 241 HG23 ILE 31 HG23 ILE 31 8.018 -6.556 -11.179 242 HD11 ILE 31 HD11 ILE 31 10.736 -2.835 -14.000 243 HD12 ILE 31 HD12 ILE 31 11.530 -4.392 -13.617 244 HD13 ILE 31 HD13 ILE 31 9.998 -4.356 -14.526 245 H THR 32 H THR 32 11.759 -7.741 -12.156 246 HA THR 32 HA THR 32 10.028 -9.860 -11.249 247 HB THR 32 HB THR 32 12.743 -9.614 -12.607 248 HG1 THR 32 HG1 THR 32 10.991 -8.937 -13.832 249 HG21 THR 32 HG21 THR 32 12.720 -11.833 -13.449 250 HG22 THR 32 HG22 THR 32 12.835 -11.819 -11.686 251 HG23 THR 32 HG23 THR 32 11.273 -12.238 -12.465 252 H ALA 33 H ALA 33 12.986 -8.428 -9.978 253 HA ALA 33 HA ALA 33 13.359 -10.708 -8.147 254 HB1 ALA 33 HB1 ALA 33 14.886 -8.078 -8.429 255 HB2 ALA 33 HB2 ALA 33 15.363 -9.445 -7.411 256 HB3 ALA 33 HB3 ALA 33 15.351 -9.630 -9.183 257 H GLN 34 H GLN 34 11.867 -7.583 -8.292 258 HA GLN 34 HA GLN 34 10.861 -7.918 -5.585 259 HB2 GLN 34 HB2 GLN 34 13.155 -6.510 -5.698 260 HB3 GLN 34 HB3 GLN 34 12.110 -5.227 -6.246 261 HG2 GLN 34 HG2 GLN 34 10.841 -5.321 -4.144 262 HG3 GLN 34 HG3 GLN 34 11.562 -6.885 -3.744 263 HE21 GLN 34 HE21 GLN 34 13.562 -4.333 -5.166 264 HE22 GLN 34 HE22 GLN 34 14.494 -4.009 -3.725 265 HA PRO 35 HA PRO 35 8.139 -6.494 -8.965 266 HB2 PRO 35 HB2 PRO 35 6.119 -8.391 -8.322 267 HB3 PRO 35 HB3 PRO 35 7.384 -8.477 -9.566 268 HG2 PRO 35 HG2 PRO 35 7.253 -10.063 -7.120 269 HG3 PRO 35 HG3 PRO 35 8.428 -10.125 -8.477 270 HD2 PRO 35 HD2 PRO 35 8.882 -8.972 -5.894 271 HD3 PRO 35 HD3 PRO 35 9.990 -9.283 -7.247 272 H GLN 36 H GLN 36 7.965 -6.744 -5.731 273 HA GLN 36 HA GLN 36 5.889 -4.613 -5.590 274 HB2 GLN 36 HB2 GLN 36 6.965 -6.268 -3.273 275 HB3 GLN 36 HB3 GLN 36 5.681 -5.053 -3.208 276 HG2 GLN 36 HG2 GLN 36 4.227 -6.731 -3.559 277 HG3 GLN 36 HG3 GLN 36 4.819 -6.777 -5.228 278 HE21 GLN 36 HE22 GLN 36 6.752 -8.199 -5.638 279 HE22 GLN 36 HE21 GLN 36 6.952 -9.655 -4.677 280 H ASN 37 H ASN 37 8.128 -3.719 -6.680 281 HA ASN 37 HA ASN 37 9.072 -1.818 -4.616 282 HB2 ASN 37 HB2 ASN 37 11.256 -2.465 -4.749 283 HB3 ASN 37 HB3 ASN 37 10.661 -3.899 -5.566 284 HD21 ASN 37 HD22 ASN 37 10.638 -3.989 -7.843 285 HD22 ASN 37 HD21 ASN 37 11.787 -3.036 -8.776 286 HA PRO 38 HA PRO 38 7.890 0.921 -7.954 287 HB2 PRO 38 HB2 PRO 38 9.678 2.811 -6.528 288 HB3 PRO 38 HB3 PRO 38 7.926 2.988 -6.931 289 HG2 PRO 38 HG2 PRO 38 8.901 2.602 -4.402 290 HG3 PRO 38 HG3 PRO 38 7.389 1.769 -4.939 291 HD2 PRO 38 HD2 PRO 38 10.235 0.686 -4.891 292 HD3 PRO 38 HD3 PRO 38 8.710 -0.069 -4.304 293 H VAL 39 H VAL 39 11.388 1.488 -6.891 294 HA VAL 39 HA VAL 39 12.251 2.679 -9.170 295 HB VAL 39 HB VAL 39 14.057 2.587 -8.152 296 HG11 VAL 39 HG11 VAL 39 13.347 0.418 -6.248 297 HG12 VAL 39 HG12 VAL 39 14.667 1.631 -6.203 298 HG13 VAL 39 HG13 VAL 39 12.989 2.176 -6.109 299 HG21 VAL 39 HG21 VAL 39 14.876 1.032 -9.718 300 HG22 VAL 39 HG22 VAL 39 15.620 0.688 -8.153 301 HG23 VAL 39 HG23 VAL 39 14.311 -0.361 -8.759 302 H GLY 40 H GLY 40 11.612 -0.625 -8.740 303 HA2 GLY 40 HA2 GLY 40 12.617 -1.846 -11.165 304 HA3 GLY 40 HA3 GLY 40 11.204 -2.385 -10.325 305 H TYR 41 H TYR 41 9.318 -0.497 -10.653 306 HA TYR 41 HA TYR 41 8.703 -0.395 -13.432 307 HB2 TYR 41 HB2 TYR 41 7.681 1.043 -10.956 308 HB3 TYR 41 HB3 TYR 41 6.842 1.086 -12.481 309 HD1 TYR 41 HD1 TYR 41 6.065 -1.140 -13.511 310 HD2 TYR 41 HD2 TYR 41 7.379 -0.714 -9.449 311 HE1 TYR 41 HE1 TYR 41 4.976 -3.311 -12.947 312 HE2 TYR 41 HE2 TYR 41 6.322 -2.904 -8.869 313 HH TYR 41 HH TYR 41 4.570 -4.861 -11.319 314 H SER 42 H SER 42 10.432 1.772 -11.227 315 HA SER 42 HA SER 42 9.752 4.173 -12.689 316 HB2 SER 42 HB2 SER 42 11.967 3.852 -10.618 317 HB3 SER 42 HB3 SER 42 11.032 5.315 -11.056 318 HG SER 42 HG SER 42 9.923 2.944 -9.979 319 H ASN 43 H ASN 43 12.596 2.003 -12.616 320 HA ASN 43 HA ASN 43 14.253 3.772 -14.219 321 HB2 ASN 43 HB2 ASN 43 14.395 0.802 -13.579 322 HB3 ASN 43 HB3 ASN 43 15.620 1.731 -14.478 323 HD21 ASN 43 HD22 ASN 43 17.168 1.112 -12.864 324 HD22 ASN 43 HD21 ASN 43 17.225 1.991 -11.348 325 H LYS 44 H LYS 44 12.425 0.732 -14.841 326 HA LYS 44 HA LYS 44 12.605 0.589 -17.684 327 HB2 LYS 44 HB2 LYS 44 11.868 -1.186 -16.213 328 HB3 LYS 44 HB3 LYS 44 10.443 -0.244 -15.736 329 HG2 LYS 44 HG2 LYS 44 9.590 -0.304 -18.039 330 HG3 LYS 44 HG3 LYS 44 11.055 -1.169 -18.581 331 HD2 LYS 44 HD2 LYS 44 10.510 -3.036 -17.057 332 HD3 LYS 44 HD3 LYS 44 9.068 -2.164 -16.494 333 HE2 LYS 44 HE2 LYS 44 8.167 -2.188 -18.816 334 HE3 LYS 44 HE3 LYS 44 9.598 -3.071 -19.357 335 HZ1 LYS 44 HZ1 LYS 44 7.777 -4.555 -18.924 336 HZ2 LYS 44 HZ2 LYS 44 8.990 -4.853 -17.862 337 HZ3 LYS 44 HZ3 LYS 44 7.649 -4.034 -17.372 338 H ALA 45 H ALA 45 10.507 2.526 -15.516 339 HA ALA 45 HA ALA 45 8.703 3.297 -17.668 340 HB1 ALA 45 HB1 ALA 45 9.139 4.475 -14.885 341 HB2 ALA 45 HB2 ALA 45 7.852 4.956 -16.014 342 HB3 ALA 45 HB3 ALA 45 7.883 3.312 -15.364 343 H MET 46 H MET 46 11.345 5.035 -15.844 344 HA MET 46 HA MET 46 11.025 7.411 -17.357 345 HB2 MET 46 HB2 MET 46 12.336 7.142 -15.208 346 HB3 MET 46 HB3 MET 46 13.620 6.366 -16.156 347 HG2 MET 46 HG2 MET 46 14.100 8.752 -15.912 348 HG3 MET 46 HG3 MET 46 13.779 8.360 -17.601 349 HE1 MET 46 HE1 MET 46 11.585 11.121 -18.612 350 HE2 MET 46 HE2 MET 46 13.305 10.650 -18.534 351 HE3 MET 46 HE3 MET 46 12.071 9.487 -19.085 352 H ALA 47 H ALA 47 12.893 4.431 -17.919 353 HA ALA 47 HA ALA 47 14.260 5.347 -20.252 354 HB1 ALA 47 HB1 ALA 47 14.937 3.316 -19.107 355 HB2 ALA 47 HB2 ALA 47 13.323 2.608 -19.337 356 HB3 ALA 47 HB3 ALA 47 14.392 2.880 -20.741 357 H LEU 48 H LEU 48 11.157 3.434 -19.978 358 HA LEU 48 HA LEU 48 10.524 3.216 -22.645 359 HB2 LEU 48 HB2 LEU 48 8.818 3.599 -20.196 360 HB3 LEU 48 HB3 LEU 48 8.097 3.374 -21.794 361 HG LEU 48 HG LEU 48 10.115 1.412 -20.637 362 HD11 LEU 48 HD11 LEU 48 8.101 0.036 -20.092 363 HD12 LEU 48 HD12 LEU 48 8.176 1.545 -19.144 364 HD13 LEU 48 HD13 LEU 48 7.071 1.424 -20.532 365 HD21 LEU 48 HD21 LEU 48 9.186 -0.117 -22.275 366 HD22 LEU 48 HD22 LEU 48 8.031 1.122 -22.822 367 HD23 LEU 48 HD23 LEU 48 9.781 1.338 -23.094 368 H ILE 49 H ILE 49 10.205 6.219 -20.663 369 HA ILE 49 HA ILE 49 8.629 7.616 -22.610 370 HB ILE 49 HB ILE 49 10.505 8.380 -20.336 371 HG12 ILE 49 HG12 ILE 49 8.425 9.762 -19.693 372 HG13 ILE 49 HG13 ILE 49 7.560 8.849 -20.931 373 HG21 ILE 49 HG21 ILE 49 9.287 10.405 -22.242 374 HG22 ILE 49 HG22 ILE 49 10.132 10.765 -20.730 375 HG23 ILE 49 HG23 ILE 49 11.035 10.041 -22.061 376 HD11 ILE 49 HD11 ILE 49 8.999 7.680 -18.518 377 HD12 ILE 49 HD12 ILE 49 7.251 7.833 -18.711 378 HD13 ILE 49 HD13 ILE 49 8.159 6.737 -19.781 379 H LYS 50 H LYS 50 12.086 7.042 -22.261 380 HA LYS 50 HA LYS 50 12.975 8.860 -24.283 381 HB2 LYS 50 HB2 LYS 50 14.313 6.348 -23.248 382 HB3 LYS 50 HB3 LYS 50 15.085 7.816 -23.940 383 HG2 LYS 50 HG2 LYS 50 13.668 7.739 -21.318 384 HG3 LYS 50 HG3 LYS 50 15.412 7.838 -21.671 385 HD2 LYS 50 HD2 LYS 50 14.827 9.950 -23.074 386 HD3 LYS 50 HD3 LYS 50 13.285 9.951 -22.154 387 HE2 LYS 50 HE2 LYS 50 14.580 9.681 -20.080 388 HE3 LYS 50 HE3 LYS 50 16.073 9.656 -21.033 389 HZ1 LYS 50 HZ1 LYS 50 14.237 11.968 -20.807 390 HZ2 LYS 50 HZ2 LYS 50 15.707 11.832 -20.074 391 HZ3 LYS 50 HZ3 LYS 50 15.607 11.930 -21.710 392 H LEU 51 H LEU 51 11.532 5.604 -24.358 393 HA LEU 51 HA LEU 51 12.516 5.000 -27.048 394 HB2 LEU 51 HB2 LEU 51 10.435 3.615 -25.324 395 HB3 LEU 51 HB3 LEU 51 11.076 3.010 -26.838 396 HG LEU 51 HG LEU 51 11.924 1.851 -24.744 397 HD11 LEU 51 HD11 LEU 51 13.212 1.558 -26.701 398 HD12 LEU 51 HD12 LEU 51 14.208 2.987 -26.246 399 HD13 LEU 51 HD13 LEU 51 14.066 1.557 -25.146 400 HD21 LEU 51 HD21 LEU 51 11.919 3.992 -23.530 401 HD22 LEU 51 HD22 LEU 51 13.276 2.862 -23.233 402 HD23 LEU 51 HD23 LEU 51 13.492 4.334 -24.261 403 H GLY 52 H GLY 52 10.102 6.651 -25.292 404 HA2 GLY 52 HA2 GLY 52 8.197 7.739 -25.711 405 HA3 GLY 52 HA3 GLY 52 8.370 7.443 -27.438 406 H GLU 53 H GLU 53 8.555 4.802 -25.178 407 HA GLU 53 HA GLU 53 5.930 3.682 -25.971 408 HB2 GLU 53 HB2 GLU 53 8.323 2.603 -24.385 409 HB3 GLU 53 HB3 GLU 53 6.890 1.635 -24.803 410 HG2 GLU 53 HG2 GLU 53 8.678 2.979 -26.879 411 HG3 GLU 53 HG3 GLU 53 8.956 1.355 -26.272 412 H TYR 54 H TYR 54 6.145 5.997 -24.507 413 HA TYR 54 HA TYR 54 5.390 6.269 -21.976 414 HB2 TYR 54 HB2 TYR 54 3.792 6.709 -24.452 415 HB3 TYR 54 HB3 TYR 54 3.412 7.558 -23.049 416 HD1 TYR 54 HD2 TYR 54 6.547 8.255 -22.539 417 HD2 TYR 54 HD1 TYR 54 3.964 8.342 -25.960 418 HE1 TYR 54 HE2 TYR 54 8.064 9.898 -23.641 419 HE2 TYR 54 HE1 TYR 54 5.586 9.823 -27.162 420 HH TYR 54 HH TYR 54 7.511 11.056 -26.988 421 H THR 55 H THR 55 3.384 4.559 -24.503 422 HA THR 55 HA THR 55 0.988 4.289 -23.111 423 HB THR 55 HB THR 55 2.193 2.115 -24.846 424 HG1 THR 55 HG1 THR 55 1.334 3.327 -26.572 425 HG21 THR 55 HG21 THR 55 -0.178 1.811 -25.477 426 HG22 THR 55 HG22 THR 55 0.018 1.680 -23.707 427 HG23 THR 55 HG23 THR 55 -0.634 3.172 -24.427 428 H GLN 56 H GLN 56 3.915 2.464 -22.947 429 HA GLN 56 HA GLN 56 2.922 0.492 -20.992 430 HB2 GLN 56 HB2 GLN 56 5.738 1.043 -22.022 431 HB3 GLN 56 HB3 GLN 56 5.184 -0.415 -21.174 432 HG2 GLN 56 HG2 GLN 56 4.319 0.583 -23.931 433 HG3 GLN 56 HG3 GLN 56 5.371 -0.790 -23.603 434 HE21 GLN 56 HE22 GLN 56 2.079 0.448 -23.529 435 HE22 GLN 56 HE21 GLN 56 1.279 -1.096 -23.281 436 H ALA 57 H ALA 57 5.135 3.294 -21.095 437 HA ALA 57 HA ALA 57 6.113 3.198 -18.479 438 HB1 ALA 57 HB1 ALA 57 5.357 5.642 -20.142 439 HB2 ALA 57 HB2 ALA 57 6.562 5.590 -18.841 440 HB3 ALA 57 HB3 ALA 57 6.841 4.702 -20.374 441 H ILE 58 H ILE 58 3.025 4.509 -19.684 442 HA ILE 58 HA ILE 58 2.201 5.897 -17.336 443 HB ILE 58 HB ILE 58 0.650 4.478 -19.532 444 HG12 ILE 58 HG12 ILE 58 1.017 7.469 -19.371 445 HG13 ILE 58 HG13 ILE 58 2.346 6.488 -19.989 446 HG21 ILE 58 HG21 ILE 58 -0.838 4.935 -17.616 447 HG22 ILE 58 HG22 ILE 58 -0.305 6.631 -17.603 448 HG23 ILE 58 HG23 ILE 58 -1.212 6.005 -18.987 449 HD11 ILE 58 HD11 ILE 58 -0.500 6.536 -21.092 450 HD12 ILE 58 HD12 ILE 58 0.992 7.093 -21.900 451 HD13 ILE 58 HD13 ILE 58 0.738 5.373 -21.575 452 H GLN 59 H GLN 59 1.989 2.447 -18.363 453 HA GLN 59 HA GLN 59 0.311 1.628 -16.180 454 HB2 GLN 59 HB2 GLN 59 2.231 0.048 -17.920 455 HB3 GLN 59 HB3 GLN 59 0.893 -0.572 -16.924 456 HG2 GLN 59 HG2 GLN 59 0.782 1.047 -19.477 457 HG3 GLN 59 HG3 GLN 59 0.081 -0.548 -19.130 458 HE21 GLN 59 HE22 GLN 59 -0.725 2.582 -19.649 459 HE22 GLN 59 HE21 GLN 59 -2.163 2.704 -18.642 460 H MET 60 H MET 60 3.820 1.845 -16.773 461 HA MET 60 HA MET 60 4.665 0.339 -14.456 462 HB2 MET 60 HB2 MET 60 6.051 2.604 -15.917 463 HB3 MET 60 HB3 MET 60 6.810 1.478 -14.786 464 HG2 MET 60 HG2 MET 60 5.688 0.828 -17.524 465 HG3 MET 60 HG3 MET 60 7.372 0.886 -17.040 466 HE1 MET 60 HE1 MET 60 4.399 -1.105 -17.718 467 HE2 MET 60 HE2 MET 60 4.428 -2.550 -16.671 468 HE3 MET 60 HE3 MET 60 3.953 -0.969 -16.003 469 H CYS 61 H CYS 61 4.009 3.851 -14.964 470 HA CYS 61 HA CYS 61 5.216 4.604 -12.486 471 HB2 CYS 61 HB2 CYS 61 3.196 6.020 -14.261 472 HB3 CYS 61 HB3 CYS 61 4.080 6.776 -12.923 473 HG CYS 61 HG CYS 61 5.305 5.220 -15.570 474 H GLN 62 H GLN 62 1.754 4.405 -13.450 475 HA GLN 62 HA GLN 62 0.676 4.811 -10.888 476 HB2 GLN 62 HB2 GLN 62 -1.362 3.750 -11.756 477 HB3 GLN 62 HB3 GLN 62 -0.658 4.943 -12.869 478 HG2 GLN 62 HG2 GLN 62 -0.937 3.357 -14.427 479 HG3 GLN 62 HG3 GLN 62 0.549 2.667 -13.762 480 HE21 GLN 62 HE22 GLN 62 -0.910 1.854 -11.181 481 HE22 GLN 62 HE21 GLN 62 -1.791 0.424 -11.658 482 H GLN 63 H GLN 63 2.137 1.843 -12.184 483 HA GLN 63 HA GLN 63 1.322 0.147 -9.947 484 HB2 GLN 63 HB2 GLN 63 2.974 0.008 -12.381 485 HB3 GLN 63 HB3 GLN 63 3.782 -0.737 -11.002 486 HG2 GLN 63 HG2 GLN 63 2.437 -2.318 -12.327 487 HG3 GLN 63 HG3 GLN 63 1.942 -2.248 -10.622 488 HE21 GLN 63 HE22 GLN 63 1.142 -0.877 -13.870 489 HE22 GLN 63 HE21 GLN 63 -0.583 -0.816 -13.579 490 H GLY 64 H GLY 64 4.352 2.041 -10.654 491 HA2 GLY 64 HA2 GLY 64 5.818 1.271 -8.446 492 HA3 GLY 64 HA3 GLY 64 5.834 2.906 -9.121 493 H LEU 65 H LEU 65 3.085 3.554 -8.539 494 HA LEU 65 HA LEU 65 3.274 4.655 -5.943 495 HB2 LEU 65 HB2 LEU 65 0.982 4.148 -7.857 496 HB3 LEU 65 HB3 LEU 65 0.727 4.963 -6.314 497 HG LEU 65 HG LEU 65 2.709 5.959 -8.390 498 HD11 LEU 65 HD11 LEU 65 -0.128 6.886 -7.794 499 HD12 LEU 65 HD12 LEU 65 0.992 7.538 -9.026 500 HD13 LEU 65 HD13 LEU 65 0.339 5.901 -9.198 501 HD21 LEU 65 HD21 LEU 65 1.483 7.113 -5.840 502 HD22 LEU 65 HD22 LEU 65 3.207 6.792 -6.154 503 HD23 LEU 65 HD23 LEU 65 2.355 8.095 -7.017 504 H ARG 66 H ARG 66 2.651 1.333 -6.672 505 HA ARG 66 HA ARG 66 0.528 0.894 -4.709 506 HB2 ARG 66 HB2 ARG 66 2.300 -0.839 -6.493 507 HB3 ARG 66 HB3 ARG 66 0.971 -1.485 -5.546 508 HG2 ARG 66 HG2 ARG 66 -0.606 0.042 -6.702 509 HG3 ARG 66 HG3 ARG 66 0.713 0.662 -7.698 510 HD2 ARG 66 HD2 ARG 66 -0.380 -1.047 -8.956 511 HD3 ARG 66 HD3 ARG 66 1.217 -1.648 -8.474 512 HE ARG 66 HE ARG 66 -0.304 -2.613 -6.457 513 HH11 ARG 66 HH11 ARG 66 -0.897 -2.696 -9.954 514 HH12 ARG 66 HH12 ARG 66 -1.789 -4.193 -9.873 515 HH21 ARG 66 HH21 ARG 66 -1.483 -4.546 -6.398 516 HH22 ARG 66 HH22 ARG 66 -2.118 -5.240 -7.869 517 H TYR 67 H TYR 67 3.894 1.084 -4.915 518 HA TYR 67 HA TYR 67 4.352 -0.651 -2.538 519 HB2 TYR 67 HB2 TYR 67 6.305 0.145 -4.708 520 HB3 TYR 67 HB3 TYR 67 6.422 -1.216 -3.588 521 HD1 TYR 67 HD1 TYR 67 4.438 -2.971 -3.775 522 HD2 TYR 67 HD2 TYR 67 5.515 -0.155 -6.840 523 HE1 TYR 67 HE1 TYR 67 3.367 -4.430 -5.464 524 HE2 TYR 67 HE2 TYR 67 4.286 -1.522 -8.511 525 HH TYR 67 HH TYR 67 2.708 -4.624 -7.667 526 H THR 68 H THR 68 4.319 2.617 -3.456 527 HA THR 68 HA THR 68 6.718 3.444 -2.052 528 HB THR 68 HB THR 68 5.801 5.750 -2.518 529 HG1 THR 68 HG1 THR 68 3.610 5.234 -2.547 530 HG21 THR 68 HG21 THR 68 7.311 4.794 -4.117 531 HG22 THR 68 HG22 THR 68 6.068 3.703 -4.746 532 HG23 THR 68 HG23 THR 68 5.949 5.456 -5.046 533 H SER 69 H SER 69 4.513 1.961 -0.561 534 HA SER 69 HA SER 69 3.260 3.702 1.301 535 HB2 SER 69 HB2 SER 69 4.071 0.773 1.453 536 HB3 SER 69 HB3 SER 69 3.005 1.598 2.605 537 HG SER 69 HG SER 69 1.843 0.528 0.932 538 H THR 70 H THR 70 6.497 3.453 0.946 539 HA THR 70 HA THR 70 7.018 3.936 3.836 540 HB THR 70 HB THR 70 7.578 1.614 3.514 541 HG1 THR 70 HG1 THR 70 9.795 1.741 3.939 542 HG21 THR 70 HG21 THR 70 9.154 2.553 1.084 543 HG22 THR 70 HG22 THR 70 9.276 0.930 1.806 544 HG23 THR 70 HG23 THR 70 7.744 1.469 1.099 545 H ALA 71 H ALA 71 9.089 5.035 4.239 546 HA ALA 71 HA ALA 71 9.247 7.266 2.411 547 HB1 ALA 71 HB1 ALA 71 10.700 8.240 4.109 548 HB2 ALA 71 HB2 ALA 71 9.251 7.533 4.849 549 HB3 ALA 71 HB3 ALA 71 10.809 6.674 4.952 550 H GLU 72 H GLU 72 11.022 4.271 2.476 551 HA GLU 72 HA GLU 72 13.442 5.393 1.309 552 HB2 GLU 72 HB2 GLU 72 13.857 3.037 0.629 553 HB3 GLU 72 HB3 GLU 72 13.518 3.193 2.359 554 HG2 GLU 72 HG2 GLU 72 11.137 2.581 1.904 555 HG3 GLU 72 HG3 GLU 72 11.561 2.283 0.217 556 H HIS 73 H HIS 73 10.233 5.065 0.285 557 HA HIS 73 HA HIS 73 11.024 4.861 -2.578 558 HB2 HIS 73 HB2 HIS 73 8.596 3.829 -1.085 559 HB3 HIS 73 HB3 HIS 73 8.690 3.933 -2.842 560 HD2 HIS 73 HD2 HIS 73 12.056 2.992 -2.254 561 HE1 HIS 73 HE1 HIS 73 10.081 -0.766 -1.971 562 HE2 HIS 73 HE2 HIS 73 12.341 0.389 -2.273 563 H VAL 74 H VAL 74 9.965 7.062 -0.284 564 HA VAL 74 HA VAL 74 7.831 8.397 -1.570 565 HB VAL 74 HB VAL 74 8.638 8.857 0.732 566 HG11 VAL 74 HG11 VAL 74 11.114 8.794 0.169 567 HG12 VAL 74 HG12 VAL 74 10.920 10.381 -0.600 568 HG13 VAL 74 HG13 VAL 74 10.612 10.203 1.137 569 HG21 VAL 74 HG21 VAL 74 7.291 10.522 -0.559 570 HG22 VAL 74 HG22 VAL 74 8.390 11.294 0.616 571 HG23 VAL 74 HG23 VAL 74 8.812 11.261 -1.121 572 H ALA 75 H ALA 75 11.284 8.402 -2.133 573 HA ALA 75 HA ALA 75 11.674 10.601 -3.828 574 HB1 ALA 75 HB1 ALA 75 12.767 7.772 -4.087 575 HB2 ALA 75 HB2 ALA 75 13.528 9.263 -4.703 576 HB3 ALA 75 HB3 ALA 75 13.394 9.002 -2.941 577 H ILE 76 H ILE 76 10.480 7.325 -4.492 578 HA ILE 76 HA ILE 76 10.477 7.693 -7.368 579 HB ILE 76 HB ILE 76 9.419 5.521 -5.524 580 HG12 ILE 76 HG12 ILE 76 12.072 6.295 -6.001 581 HG13 ILE 76 HG13 ILE 76 11.535 4.768 -5.429 582 HG21 ILE 76 HG21 ILE 76 9.660 5.865 -8.526 583 HG22 ILE 76 HG22 ILE 76 9.492 4.259 -7.772 584 HG23 ILE 76 HG23 ILE 76 8.212 5.469 -7.564 585 HD11 ILE 76 HD11 ILE 76 11.862 5.733 -8.315 586 HD12 ILE 76 HD12 ILE 76 13.084 4.764 -7.448 587 HD13 ILE 76 HD13 ILE 76 11.509 4.033 -7.869 588 H ARG 77 H ARG 77 8.136 7.631 -4.704 589 HA ARG 77 HA ARG 77 5.729 7.641 -6.221 590 HB2 ARG 77 HB2 ARG 77 5.668 7.376 -3.831 591 HB3 ARG 77 HB3 ARG 77 6.434 8.954 -3.558 592 HG2 ARG 77 HG2 ARG 77 3.959 8.986 -5.207 593 HG3 ARG 77 HG3 ARG 77 3.735 8.543 -3.497 594 HD2 ARG 77 HD2 ARG 77 4.920 10.572 -2.782 595 HD3 ARG 77 HD3 ARG 77 5.166 11.053 -4.471 596 HE ARG 77 HE ARG 77 2.386 10.622 -4.039 597 HH11 ARG 77 HH11 ARG 77 4.956 12.875 -3.142 598 HH12 ARG 77 HH12 ARG 77 3.865 14.227 -2.937 599 HH21 ARG 77 HH21 ARG 77 0.985 12.405 -3.787 600 HH22 ARG 77 HH22 ARG 77 1.626 13.960 -3.308 601 H SER 78 H SER 78 8.115 10.065 -5.594 602 HA SER 78 HA SER 78 6.595 12.295 -6.728 603 HB2 SER 78 HB2 SER 78 8.526 12.357 -4.953 604 HB3 SER 78 HB3 SER 78 9.602 11.967 -6.279 605 HG SER 78 HG SER 78 9.436 14.233 -5.936 606 H LYS 79 H LYS 79 8.886 9.816 -7.892 607 HA LYS 79 HA LYS 79 9.404 11.279 -10.360 608 HB2 LYS 79 HB2 LYS 79 10.039 8.460 -9.399 609 HB3 LYS 79 HB3 LYS 79 10.414 9.050 -11.036 610 HG2 LYS 79 HG2 LYS 79 11.640 10.975 -10.051 611 HG3 LYS 79 HG3 LYS 79 11.398 10.281 -8.437 612 HD2 LYS 79 HD2 LYS 79 12.640 8.263 -9.093 613 HD3 LYS 79 HD3 LYS 79 12.790 8.880 -10.765 614 HE2 LYS 79 HE2 LYS 79 13.898 10.903 -9.897 615 HE3 LYS 79 HE3 LYS 79 13.840 10.206 -8.253 616 HZ1 LYS 79 HZ1 LYS 79 15.158 8.353 -9.144 617 HZ2 LYS 79 HZ2 LYS 79 15.306 9.141 -10.579 618 HZ3 LYS 79 HZ3 LYS 79 15.965 9.787 -9.219 619 H LEU 80 H LEU 80 7.362 8.477 -9.422 620 HA LEU 80 HA LEU 80 6.683 7.593 -11.991 621 HB2 LEU 80 HB2 LEU 80 5.134 7.693 -9.368 622 HB3 LEU 80 HB3 LEU 80 4.432 7.010 -10.829 623 HG LEU 80 HG LEU 80 5.472 5.067 -10.532 624 HD11 LEU 80 HD11 LEU 80 8.107 6.414 -9.996 625 HD12 LEU 80 HD12 LEU 80 7.779 4.667 -10.193 626 HD13 LEU 80 HD13 LEU 80 7.492 5.752 -11.550 627 HD21 LEU 80 HD21 LEU 80 4.821 5.522 -8.254 628 HD22 LEU 80 HD22 LEU 80 6.363 4.637 -8.250 629 HD23 LEU 80 HD23 LEU 80 6.324 6.395 -7.937 630 H GLN 81 H GLN 81 5.346 10.267 -10.124 631 HA GLN 81 HA GLN 81 3.009 10.775 -11.605 632 HB2 GLN 81 HB2 GLN 81 4.654 11.669 -9.336 633 HB3 GLN 81 HB3 GLN 81 3.866 13.045 -10.079 634 HG2 GLN 81 HG2 GLN 81 2.660 11.891 -8.208 635 HG3 GLN 81 HG3 GLN 81 1.702 12.076 -9.719 636 HE21 GLN 81 HE22 GLN 81 4.034 9.715 -8.287 637 HE22 GLN 81 HE21 GLN 81 3.125 8.301 -8.785 638 H TYR 82 H TYR 82 6.327 11.745 -12.107 639 HA TYR 82 HA TYR 82 5.599 14.108 -13.664 640 HB2 TYR 82 HB2 TYR 82 7.650 14.273 -12.553 641 HB3 TYR 82 HB3 TYR 82 8.106 12.605 -12.990 642 HD1 TYR 82 HD1 TYR 82 7.778 16.047 -14.413 643 HD2 TYR 82 HD2 TYR 82 9.241 12.051 -14.921 644 HE1 TYR 82 HE1 TYR 82 9.223 16.821 -16.294 645 HE2 TYR 82 HE2 TYR 82 10.802 12.830 -16.720 646 HH TYR 82 HH TYR 82 10.814 16.243 -17.827 647 H ARG 83 H ARG 83 6.823 10.795 -14.323 648 HA ARG 83 HA ARG 83 6.713 11.438 -17.222 649 HB2 ARG 83 HB2 ARG 83 8.046 9.569 -17.640 650 HB3 ARG 83 HB3 ARG 83 8.804 10.475 -16.350 651 HG2 ARG 83 HG2 ARG 83 6.997 8.134 -15.722 652 HG3 ARG 83 HG3 ARG 83 8.686 7.862 -16.197 653 HD2 ARG 83 HD2 ARG 83 7.934 9.731 -13.927 654 HD3 ARG 83 HD3 ARG 83 8.223 7.991 -13.709 655 HE ARG 83 HE ARG 83 10.240 9.938 -14.789 656 HH11 ARG 83 HH11 ARG 83 9.465 7.033 -12.920 657 HH12 ARG 83 HH12 ARG 83 11.112 6.820 -12.373 658 HH21 ARG 83 HH21 ARG 83 12.359 9.652 -14.015 659 HH22 ARG 83 HH22 ARG 83 12.730 8.315 -12.957 660 H LEU 84 H LEU 84 4.851 10.203 -14.781 661 HA LEU 84 HA LEU 84 3.068 8.561 -16.420 662 HB2 LEU 84 HB2 LEU 84 3.164 8.280 -13.978 663 HB3 LEU 84 HB3 LEU 84 2.798 9.961 -13.719 664 HG LEU 84 HG LEU 84 0.542 9.715 -14.551 665 HD11 LEU 84 HD11 LEU 84 0.859 7.962 -16.254 666 HD12 LEU 84 HD12 LEU 84 1.260 6.780 -14.986 667 HD13 LEU 84 HD13 LEU 84 -0.374 7.472 -15.088 668 HD21 LEU 84 HD21 LEU 84 1.194 9.290 -12.199 669 HD22 LEU 84 HD22 LEU 84 -0.234 8.335 -12.677 670 HD23 LEU 84 HD23 LEU 84 1.369 7.564 -12.556 671 H GLU 85 H GLU 85 3.676 11.956 -15.866 672 HA GLU 85 HA GLU 85 0.969 12.648 -16.897 673 HB2 GLU 85 HB2 GLU 85 1.102 14.660 -15.905 674 HB3 GLU 85 HB3 GLU 85 2.050 13.667 -14.766 675 HG2 GLU 85 HG2 GLU 85 4.116 14.536 -15.656 676 HG3 GLU 85 HG3 GLU 85 3.256 15.375 -16.966 677 H LEU 86 H LEU 86 4.131 12.260 -18.082 678 HA LEU 86 HA LEU 86 3.559 14.183 -20.277 679 HB2 LEU 86 HB2 LEU 86 5.829 14.403 -20.644 680 HB3 LEU 86 HB3 LEU 86 5.711 14.236 -18.885 681 HG LEU 86 HG LEU 86 6.192 11.690 -19.397 682 HD11 LEU 86 HD11 LEU 86 6.075 12.003 -21.949 683 HD12 LEU 86 HD12 LEU 86 7.443 13.108 -21.812 684 HD13 LEU 86 HD13 LEU 86 7.635 11.398 -21.372 685 HD21 LEU 86 HD21 LEU 86 8.323 13.858 -19.652 686 HD22 LEU 86 HD22 LEU 86 7.657 13.238 -18.134 687 HD23 LEU 86 HD23 LEU 86 8.604 12.167 -19.194 688 H ALA 87 H ALA 87 4.426 10.745 -19.633 689 HA ALA 87 HA ALA 87 4.682 9.796 -22.182 690 HB1 ALA 87 HB1 ALA 87 3.473 8.600 -19.651 691 HB2 ALA 87 HB2 ALA 87 3.948 7.633 -21.056 692 HB3 ALA 87 HB3 ALA 87 5.181 8.543 -20.150 693 H GLN 88 H GLN 88 1.622 9.579 -20.181 694 HA GLN 88 HA GLN 88 0.035 8.785 -22.372 695 HB2 GLN 88 HB2 GLN 88 -1.870 9.487 -21.045 696 HB3 GLN 88 HB3 GLN 88 -0.764 8.369 -20.208 697 HG2 GLN 88 HG2 GLN 88 0.219 10.216 -18.963 698 HG3 GLN 88 HG3 GLN 88 -0.901 11.368 -19.725 699 HE21 GLN 88 HE22 GLN 88 -0.409 9.627 -16.956 700 HE22 GLN 88 HE21 GLN 88 -2.059 9.372 -16.431 701 H GLY 89 H GLY 89 1.210 11.918 -21.499 702 HA2 GLY 89 HA2 GLY 89 -0.776 13.403 -23.051 703 HA3 GLY 89 HA3 GLY 89 0.676 14.038 -22.243 704 H ALA 90 H ALA 90 1.548 11.323 -23.950 705 HA ALA 90 HA ALA 90 2.053 12.688 -26.527 706 HB1 ALA 90 HB1 ALA 90 4.012 11.030 -24.903 707 HB2 ALA 90 HB2 ALA 90 4.301 11.700 -26.527 708 HB3 ALA 90 HB3 ALA 90 4.078 12.792 -25.154 709 H VAL 91 H VAL 91 0.419 10.319 -25.000 710 HA VAL 91 HA VAL 91 0.815 8.142 -27.033 711 HB VAL 91 HB VAL 91 -0.064 8.246 -24.176 712 HG11 VAL 91 HG11 VAL 91 0.070 5.816 -26.024 713 HG12 VAL 91 HG12 VAL 91 0.238 5.739 -24.273 714 HG13 VAL 91 HG13 VAL 91 -1.316 6.309 -24.988 715 HG21 VAL 91 HG21 VAL 91 2.287 8.394 -24.793 716 HG22 VAL 91 HG22 VAL 91 1.814 6.922 -23.862 717 HG23 VAL 91 HG23 VAL 91 2.130 6.823 -25.637 718 H GLY 92 H GLY 92 -1.374 9.972 -25.044 719 HA2 GLY 92 HA2 GLY 92 -3.756 8.999 -26.537 720 HA3 GLY 92 HA3 GLY 92 -3.737 9.505 -24.827 721 H SER 93 H SER 93 -1.774 11.490 -26.779 722 HA SER 93 HA SER 93 -3.334 13.843 -26.383 723 HB2 SER 93 HB2 SER 93 -1.589 14.889 -27.787 724 HB3 SER 93 HB3 SER 93 -0.887 13.836 -26.537 725 HG SER 93 HG SER 93 0.027 13.507 -28.625 726 H VAL 94 H VAL 94 -3.632 15.386 -28.340 727 HA VAL 94 HA VAL 94 -5.652 14.220 -30.057 728 HB VAL 94 HB VAL 94 -4.491 17.029 -29.946 729 HG11 VAL 94 HG11 VAL 94 -5.621 16.532 -32.102 730 HG12 VAL 94 HG12 VAL 94 -7.033 15.904 -31.223 731 HG13 VAL 94 HG13 VAL 94 -6.603 17.631 -31.119 732 HG21 VAL 94 HG21 VAL 94 -5.539 16.301 -27.828 733 HG22 VAL 94 HG22 VAL 94 -6.601 17.465 -28.657 734 HG23 VAL 94 HG23 VAL 94 -6.957 15.718 -28.710 735 H GLN 95 H GLN 95 -4.534 12.725 -31.155 736 HA GLN 95 HA GLN 95 -2.547 13.626 -33.182 737 HB2 GLN 95 HB2 GLN 95 -1.693 11.342 -33.069 738 HB3 GLN 95 HB3 GLN 95 -1.783 12.054 -31.440 739 HG2 GLN 95 HG2 GLN 95 -4.176 10.925 -31.370 740 HG3 GLN 95 HG3 GLN 95 -3.545 9.922 -32.681 741 HE21 GLN 95 HE22 GLN 95 -3.247 10.856 -29.283 742 HE22 GLN 95 HE21 GLN 95 -2.280 9.475 -28.790 743 H ILE 96 H ILE 96 -5.715 13.269 -33.070 744 HA ILE 96 HA ILE 96 -5.887 12.207 -35.807 745 HB ILE 96 HB ILE 96 -6.190 10.325 -34.248 746 HG12 ILE 96 HG12 ILE 96 -8.740 10.983 -35.771 747 HG13 ILE 96 HG13 ILE 96 -7.236 10.374 -36.490 748 HG21 ILE 96 HG21 ILE 96 -8.728 11.718 -33.313 749 HG22 ILE 96 HG22 ILE 96 -8.125 10.126 -32.807 750 HG23 ILE 96 HG23 ILE 96 -7.223 11.590 -32.376 751 HD11 ILE 96 HD11 ILE 96 -8.782 8.530 -36.118 752 HD12 ILE 96 HD12 ILE 96 -7.386 8.356 -35.029 753 HD13 ILE 96 HD13 ILE 96 -8.938 8.959 -34.399 754 HA PRO 97 HA PRO 97 -8.659 15.892 -34.602 755 HB2 PRO 97 HB2 PRO 97 -7.337 17.948 -35.842 756 HB3 PRO 97 HB3 PRO 97 -6.948 17.426 -34.174 757 HG2 PRO 97 HG2 PRO 97 -5.561 16.621 -36.742 758 HG3 PRO 97 HG3 PRO 97 -4.817 17.217 -35.220 759 HD2 PRO 97 HD2 PRO 97 -4.978 14.563 -35.786 760 HD3 PRO 97 HD3 PRO 97 -5.243 15.171 -34.121 761 H VAL 98 H VAL 98 -9.785 17.356 -36.230 762 HA VAL 98 HA VAL 98 -10.355 15.892 -38.674 763 HB VAL 98 HB VAL 98 -11.396 18.612 -37.826 764 HG11 VAL 98 HG11 VAL 98 -12.562 16.410 -39.590 765 HG12 VAL 98 HG12 VAL 98 -13.356 17.947 -39.189 766 HG13 VAL 98 HG13 VAL 98 -11.887 17.948 -40.183 767 HG21 VAL 98 HG21 VAL 98 -13.328 17.349 -36.871 768 HG22 VAL 98 HG22 VAL 98 -12.456 15.829 -37.167 769 HG23 VAL 98 HG23 VAL 98 -11.823 17.010 -36.001 770 H VAL 99 H VAL 99 -7.907 16.198 -39.037 771 HA VAL 99 HA VAL 99 -6.957 18.664 -40.053 772 HB VAL 99 HB VAL 99 -5.797 16.688 -38.860 773 HG11 VAL 99 HG11 VAL 99 -4.946 14.862 -40.182 774 HG12 VAL 99 HG12 VAL 99 -6.717 14.933 -40.362 775 HG13 VAL 99 HG13 VAL 99 -5.662 15.522 -41.665 776 HG21 VAL 99 HG21 VAL 99 -3.670 17.063 -39.931 777 HG22 VAL 99 HG22 VAL 99 -4.481 17.767 -41.363 778 HG23 VAL 99 HG23 VAL 99 -4.597 18.569 -39.768 779 H GLU 100 H GLU 100 -9.318 17.677 -41.338 780 HA GLU 100 HA GLU 100 -9.066 16.515 -43.837 781 HB2 GLU 100 HB2 GLU 100 -11.158 16.954 -42.646 782 HB3 GLU 100 HB3 GLU 100 -10.951 18.715 -42.885 783 HG2 GLU 100 HG2 GLU 100 -11.170 18.539 -45.242 784 HG3 GLU 100 HG3 GLU 100 -11.055 16.771 -45.121 785 H VAL 101 H VAL 101 -8.699 17.162 -45.865 786 HA VAL 101 HA VAL 101 -8.200 20.020 -46.491 787 HB VAL 101 HB VAL 101 -6.433 17.727 -47.415 788 HG11 VAL 101 HG11 VAL 101 -6.241 20.750 -47.771 789 HG12 VAL 101 HG12 VAL 101 -5.031 19.564 -48.322 790 HG13 VAL 101 HG13 VAL 101 -6.649 19.578 -49.043 791 HG21 VAL 101 HG21 VAL 101 -4.660 18.806 -46.056 792 HG22 VAL 101 HG22 VAL 101 -5.866 19.935 -45.395 793 HG23 VAL 101 HG23 VAL 101 -5.992 18.187 -45.061 794 H ASP 102 H ASP 102 -9.212 20.597 -48.346 795 HA ASP 102 HA ASP 102 -9.924 18.601 -50.358 796 HB2 ASP 102 HB2 ASP 102 -11.705 18.400 -48.624 797 HB3 ASP 102 HB3 ASP 102 -12.042 20.119 -48.761 798 H GLU 103 H GLU 103 -8.238 20.943 -50.144 799 HA GLU 103 HA GLU 103 -9.292 22.472 -52.434 800 HB2 GLU 103 HB2 GLU 103 -8.919 24.612 -51.373 801 HB3 GLU 103 HB3 GLU 103 -9.989 23.643 -50.330 802 HG2 GLU 103 HG2 GLU 103 -8.029 22.992 -48.955 803 HG3 GLU 103 HG3 GLU 103 -7.018 24.054 -49.945 804 H LEU 104 H LEU 104 -7.438 24.229 -52.962 805 HA LEU 104 HA LEU 104 -5.631 24.353 -54.241 806 HB2 LEU 104 HB2 LEU 104 -4.703 23.566 -51.510 807 HB3 LEU 104 HB3 LEU 104 -3.542 24.073 -52.754 808 HG LEU 104 HG LEU 104 -5.846 25.907 -52.423 809 HD11 LEU 104 HD11 LEU 104 -3.566 25.689 -50.400 810 HD12 LEU 104 HD12 LEU 104 -4.712 27.047 -50.522 811 HD13 LEU 104 HD13 LEU 104 -5.289 25.430 -50.047 812 HD21 LEU 104 HD21 LEU 104 -3.766 25.990 -53.976 813 HD22 LEU 104 HD22 LEU 104 -4.047 27.461 -52.988 814 HD23 LEU 104 HD23 LEU 104 -2.838 26.251 -52.490 815 HA PRO 105 HA PRO 105 -3.685 20.835 -56.122 816 HB2 PRO 105 HB2 PRO 105 -1.062 22.146 -55.477 817 HB3 PRO 105 HB3 PRO 105 -1.667 21.587 -57.060 818 HG2 PRO 105 HG2 PRO 105 -1.601 24.216 -56.472 819 HG3 PRO 105 HG3 PRO 105 -3.006 23.494 -57.353 820 HD2 PRO 105 HD2 PRO 105 -2.742 24.144 -54.426 821 HD3 PRO 105 HD3 PRO 105 -4.138 24.483 -55.489 822 H GLU 106 H GLU 106 -1.805 19.207 -55.632 823 HA GLU 106 HA GLU 106 -2.269 18.060 -53.089 824 HB2 GLU 106 HB2 GLU 106 -1.536 16.826 -55.102 825 HB3 GLU 106 HB3 GLU 106 0.057 17.596 -54.992 826 HG2 GLU 106 HG2 GLU 106 0.386 16.588 -52.751 827 HG3 GLU 106 HG3 GLU 106 -1.223 15.853 -52.841 828 H GLY 107 H GLY 107 -1.793 19.101 -51.219 829 HA2 GLY 107 HA2 GLY 107 -0.593 20.172 -49.582 830 HA3 GLY 107 HA3 GLY 107 0.764 19.189 -50.152 831 H TYR 108 H TYR 108 -1.059 22.185 -51.258 832 HA TYR 108 HA TYR 108 1.576 23.380 -51.983 833 HB2 TYR 108 HB2 TYR 108 0.684 22.424 -53.947 834 HB3 TYR 108 HB3 TYR 108 -0.959 22.930 -53.502 835 HD1 TYR 108 HD2 TYR 108 -1.532 25.271 -53.392 836 HD2 TYR 108 HD1 TYR 108 2.003 23.916 -55.371 837 HE1 TYR 108 HE2 TYR 108 -1.573 27.318 -54.731 838 HE2 TYR 108 HE1 TYR 108 2.054 26.011 -56.723 839 HH TYR 108 HH TYR 108 0.997 27.979 -57.216 840 H ASP 109 H ASP 109 1.627 25.640 -51.819 841 HA ASP 109 HA ASP 109 -0.774 27.109 -50.988 842 HB2 ASP 109 HB2 ASP 109 0.204 26.091 -48.894 843 HB3 ASP 109 HB3 ASP 109 1.692 26.998 -49.202 844 H ARG 110 H ARG 110 1.506 26.926 -53.100 845 HA ARG 110 HA ARG 110 2.714 28.271 -54.420 846 HB2 ARG 110 HB2 ARG 110 0.467 29.483 -54.274 847 HB3 ARG 110 HB3 ARG 110 1.256 30.628 -53.186 848 HG2 ARG 110 HG2 ARG 110 2.920 31.157 -54.979 849 HG3 ARG 110 HG3 ARG 110 2.102 29.989 -56.047 850 HD2 ARG 110 HD2 ARG 110 -0.016 31.307 -55.769 851 HD3 ARG 110 HD3 ARG 110 0.883 32.481 -54.801 852 HE ARG 110 HE ARG 110 1.883 33.331 -56.720 853 HH11 ARG 110 HH11 ARG 110 0.185 30.330 -57.507 854 HH12 ARG 110 HH12 ARG 110 0.348 30.562 -59.236 855 HH21 ARG 110 HH21 ARG 110 2.075 33.602 -58.965 856 HH22 ARG 110 HH22 ARG 110 1.404 32.413 -60.054 857 H SER 111 H SER 111 3.239 28.160 -51.203 858 HA SER 111 HA SER 111 5.853 29.438 -51.429 859 HB2 SER 111 HB2 SER 111 4.360 31.330 -50.817 860 HB3 SER 111 HB3 SER 111 3.792 30.422 -49.402 861 HG SER 111 HG SER 111 5.516 31.868 -48.905 862 H1 ALA 701 H1 ALA 701 18.001 20.947 -17.807 863 H2 ALA 701 H2 ALA 701 16.367 20.764 -17.667 864 H3 ALA 701 H3 ALA 701 17.216 19.819 -18.709 865 HA ALA 701 HA ALA 701 16.633 18.574 -16.773 866 HB1 ALA 701 HB1 ALA 701 18.872 17.769 -16.184 867 HB2 ALA 701 HB2 ALA 701 18.730 18.009 -17.932 868 HB3 ALA 701 HB3 ALA 701 19.613 19.198 -16.947 869 H ASP 702 H ASP 702 15.691 19.076 -14.896 870 HA ASP 702 HA ASP 702 17.249 20.466 -12.842 871 HB2 ASP 702 HB2 ASP 702 16.058 22.238 -14.180 872 HB3 ASP 702 HB3 ASP 702 14.519 21.480 -13.746 873 H THR 703 H THR 703 16.235 17.752 -13.338 874 HA THR 703 HA THR 703 14.605 17.343 -10.879 875 HB THR 703 HB THR 703 12.918 17.633 -12.586 876 HG1 THR 703 HG1 THR 703 11.993 15.662 -12.239 877 HG21 THR 703 HG21 THR 703 14.286 17.177 -14.594 878 HG22 THR 703 HG22 THR 703 14.467 15.478 -14.097 879 HG23 THR 703 HG23 THR 703 12.866 16.110 -14.551 880 H GLU 704 H GLU 704 14.764 15.347 -9.997 881 HA GLU 704 HA GLU 704 16.949 13.607 -10.891 882 HB2 GLU 704 HB2 GLU 704 16.332 12.286 -8.890 883 HB3 GLU 704 HB3 GLU 704 16.605 13.993 -8.496 884 HG2 GLU 704 HG2 GLU 704 14.177 14.412 -8.522 885 HG3 GLU 704 HG3 GLU 704 13.885 12.719 -8.950 886 H MET 705 H MET 705 13.678 14.036 -11.783 887 HA MET 705 HA MET 705 12.875 11.367 -12.266 888 HB2 MET 705 HB2 MET 705 12.363 13.983 -13.702 889 HB3 MET 705 HB3 MET 705 11.804 12.440 -14.384 890 HG2 MET 705 HG2 MET 705 10.131 12.312 -12.926 891 HG3 MET 705 HG3 MET 705 11.272 12.391 -11.599 892 HE1 MET 705 HE1 MET 705 9.226 14.597 -9.893 893 HE2 MET 705 HE2 MET 705 8.912 13.071 -10.818 894 HE3 MET 705 HE3 MET 705 10.485 13.318 -10.011 895 H GLU 706 H GLU 706 15.043 13.631 -13.867 896 HA GLU 706 HA GLU 706 15.358 12.088 -16.270 897 HB2 GLU 706 HB2 GLU 706 15.641 14.695 -15.575 898 HB3 GLU 706 HB3 GLU 706 17.326 14.240 -15.551 899 HG2 GLU 706 HG2 GLU 706 15.311 13.884 -17.824 900 HG3 GLU 706 HG3 GLU 706 16.584 15.105 -17.767 901 H GLU 707 H GLU 707 16.082 11.107 -13.397 902 HA GLU 707 HA GLU 707 18.610 9.764 -14.118 903 HB2 GLU 707 HB2 GLU 707 19.128 11.695 -12.625 904 HB3 GLU 707 HB3 GLU 707 17.989 11.057 -11.429 905 HG2 GLU 707 HG2 GLU 707 20.283 10.484 -10.845 906 HG3 GLU 707 HG3 GLU 707 19.361 9.017 -11.203 907 H VAL 708 H VAL 708 18.786 7.642 -13.015 908 HA VAL 708 HA VAL 708 16.157 6.478 -12.995 909 HB VAL 708 HB VAL 708 17.093 4.440 -13.183 910 HG11 VAL 708 HG11 VAL 708 19.206 6.305 -14.279 911 HG12 VAL 708 HG12 VAL 708 18.929 4.616 -14.748 912 HG13 VAL 708 HG13 VAL 708 17.659 5.843 -15.059 913 HG21 VAL 708 HG21 VAL 708 18.496 4.315 -11.195 914 HG22 VAL 708 HG22 VAL 708 19.432 3.861 -12.622 915 HG23 VAL 708 HG23 VAL 708 19.644 5.490 -11.907 916 H ASP 709 H ASP 709 16.073 4.469 -11.264 917 HA ASP 709 HA ASP 709 14.831 4.335 -9.360 918 HB2 ASP 709 HB2 ASP 709 16.152 3.497 -7.605 919 HB3 ASP 709 HB3 ASP 709 16.734 2.906 -9.143 Start of MODEL 15 1 H1 SER 2 H1 SER 2 24.847 -7.212 -2.694 2 H2 SER 2 H2 SER 2 25.980 -6.105 -3.137 3 H3 SER 2 H3 SER 2 25.984 -7.598 -3.825 4 HA SER 2 HA SER 2 23.859 -5.597 -4.115 5 HB2 SER 2 HB2 SER 2 25.977 -6.514 -6.098 6 HB3 SER 2 HB3 SER 2 24.643 -5.390 -6.448 7 HG SER 2 HG SER 2 25.500 -3.966 -4.939 8 H GLN 3 H GLN 3 21.956 -6.395 -4.726 9 HA GLN 3 HA GLN 3 21.826 -8.946 -6.228 10 HB2 GLN 3 HB2 GLN 3 20.370 -8.404 -3.606 11 HB3 GLN 3 HB3 GLN 3 20.050 -9.770 -4.690 12 HG2 GLN 3 HG2 GLN 3 22.411 -10.515 -4.420 13 HG3 GLN 3 HG3 GLN 3 22.674 -9.228 -3.238 14 HE21 GLN 3 HE22 GLN 3 22.962 -12.064 -2.728 15 HE22 GLN 3 HE21 GLN 3 21.767 -12.491 -1.520 16 H PHE 4 H PHE 4 21.145 -5.808 -6.315 17 HA PHE 4 HA PHE 4 18.760 -6.084 -7.990 18 HB2 PHE 4 HB2 PHE 4 17.704 -5.992 -5.777 19 HB3 PHE 4 HB3 PHE 4 18.773 -4.689 -5.274 20 HD1 PHE 4 HD2 PHE 4 18.490 -2.338 -6.266 21 HD2 PHE 4 HD1 PHE 4 15.685 -5.540 -6.953 22 HE1 PHE 4 HE2 PHE 4 16.752 -0.700 -6.779 23 HE2 PHE 4 HE1 PHE 4 13.941 -3.874 -7.523 24 HZ PHE 4 HZ PHE 4 14.479 -1.436 -7.435 25 H GLU 5 H GLU 5 21.002 -4.173 -6.071 26 HA GLU 5 HA GLU 5 20.984 -1.724 -7.290 27 HB2 GLU 5 HB2 GLU 5 23.293 -3.388 -6.226 28 HB3 GLU 5 HB3 GLU 5 23.367 -1.668 -6.544 29 HG2 GLU 5 HG2 GLU 5 22.879 -1.732 -4.242 30 HG3 GLU 5 HG3 GLU 5 21.328 -1.385 -5.041 31 H LYS 6 H LYS 6 23.181 -4.584 -8.292 32 HA LYS 6 HA LYS 6 24.433 -2.916 -10.146 33 HB2 LYS 6 HB2 LYS 6 25.084 -5.094 -9.004 34 HB3 LYS 6 HB3 LYS 6 24.196 -5.936 -10.313 35 HG2 LYS 6 HG2 LYS 6 25.578 -4.817 -11.969 36 HG3 LYS 6 HG3 LYS 6 26.358 -3.821 -10.702 37 HD2 LYS 6 HD2 LYS 6 27.883 -5.653 -11.113 38 HD3 LYS 6 HD3 LYS 6 27.033 -5.976 -9.573 39 HE2 LYS 6 HE2 LYS 6 25.466 -7.486 -10.751 40 HE3 LYS 6 HE3 LYS 6 26.268 -7.130 -12.288 41 HZ1 LYS 6 HZ1 LYS 6 28.276 -8.104 -11.385 42 HZ2 LYS 6 HZ2 LYS 6 27.521 -8.436 -9.961 43 HZ3 LYS 6 HZ3 LYS 6 27.042 -9.186 -11.344 44 H GLN 7 H GLN 7 21.668 -5.170 -10.435 45 HA GLN 7 HA GLN 7 21.319 -4.997 -13.259 46 HB2 GLN 7 HB2 GLN 7 19.295 -5.525 -11.061 47 HB3 GLN 7 HB3 GLN 7 19.189 -5.982 -12.780 48 HG2 GLN 7 HG2 GLN 7 21.425 -7.198 -12.459 49 HG3 GLN 7 HG3 GLN 7 21.221 -6.958 -10.715 50 HE21 GLN 7 HE22 GLN 7 19.347 -8.074 -13.597 51 HE22 GLN 7 HE21 GLN 7 18.629 -9.434 -12.766 52 H LYS 8 H LYS 8 20.964 -2.571 -10.789 53 HA LYS 8 HA LYS 8 18.943 -1.046 -12.344 54 HB2 LYS 8 HB2 LYS 8 18.575 -1.510 -9.962 55 HB3 LYS 8 HB3 LYS 8 20.149 -0.812 -9.562 56 HG2 LYS 8 HG2 LYS 8 19.391 1.404 -10.387 57 HG3 LYS 8 HG3 LYS 8 17.824 0.668 -10.838 58 HD2 LYS 8 HD2 LYS 8 17.573 1.649 -8.620 59 HD3 LYS 8 HD3 LYS 8 17.553 -0.115 -8.506 60 HE2 LYS 8 HE2 LYS 8 18.933 0.644 -6.718 61 HE3 LYS 8 HE3 LYS 8 20.013 -0.027 -7.928 62 HZ1 LYS 8 HZ1 LYS 8 20.755 2.116 -7.051 63 HZ2 LYS 8 HZ2 LYS 8 20.503 2.202 -8.668 64 HZ3 LYS 8 HZ3 LYS 8 19.410 2.852 -7.630 65 H GLU 9 H GLU 9 22.188 -0.959 -10.907 66 HA GLU 9 HA GLU 9 22.848 1.712 -11.782 67 HB2 GLU 9 HB2 GLU 9 24.493 -0.574 -10.666 68 HB3 GLU 9 HB3 GLU 9 25.053 1.110 -10.822 69 HG2 GLU 9 HG2 GLU 9 22.504 0.357 -9.347 70 HG3 GLU 9 HG3 GLU 9 24.070 0.377 -8.546 71 H GLN 10 H GLN 10 23.327 -1.584 -13.024 72 HA GLN 10 HA GLN 10 25.186 -0.827 -15.101 73 HB2 GLN 10 HB2 GLN 10 24.505 -3.219 -14.433 74 HB3 GLN 10 HB3 GLN 10 23.004 -2.929 -15.340 75 HG2 GLN 10 HG2 GLN 10 24.864 -2.072 -17.153 76 HG3 GLN 10 HG3 GLN 10 25.809 -3.305 -16.301 77 HE21 GLN 10 HE22 GLN 10 22.766 -2.672 -18.054 78 HE22 GLN 10 HE21 GLN 10 22.534 -4.311 -18.632 79 H GLY 11 H GLY 11 21.551 -1.092 -15.130 80 HA2 GLY 11 HA2 GLY 11 21.295 0.030 -17.748 81 HA3 GLY 11 HA3 GLY 11 20.031 -0.061 -16.510 82 H ASN 12 H ASN 12 21.759 1.465 -14.543 83 HA ASN 12 HA ASN 12 21.001 4.143 -15.050 84 HB2 ASN 12 HB2 ASN 12 21.487 2.835 -12.903 85 HB3 ASN 12 HB3 ASN 12 23.205 3.058 -13.270 86 HD21 ASN 12 HD22 ASN 12 22.549 3.740 -10.913 87 HD22 ASN 12 HD21 ASN 12 22.529 5.452 -10.700 88 H SER 13 H SER 13 23.258 2.359 -16.703 89 HA SER 13 HA SER 13 24.465 4.855 -17.675 90 HB2 SER 13 HB2 SER 13 26.726 3.956 -17.674 91 HB3 SER 13 HB3 SER 13 26.054 3.965 -16.030 92 HG SER 13 HG SER 13 27.111 1.996 -16.549 93 H LEU 14 H LEU 14 22.608 2.349 -18.434 94 HA LEU 14 HA LEU 14 23.610 2.315 -21.264 95 HB2 LEU 14 HB2 LEU 14 21.899 0.375 -19.663 96 HB3 LEU 14 HB3 LEU 14 21.755 0.438 -21.394 97 HG LEU 14 HG LEU 14 24.377 0.179 -21.439 98 HD11 LEU 14 HD11 LEU 14 23.418 -0.916 -18.813 99 HD12 LEU 14 HD12 LEU 14 25.036 -1.276 -19.505 100 HD13 LEU 14 HD13 LEU 14 24.617 0.403 -19.034 101 HD21 LEU 14 HD21 LEU 14 22.516 -2.115 -20.681 102 HD22 LEU 14 HD22 LEU 14 22.730 -1.461 -22.328 103 HD23 LEU 14 HD23 LEU 14 24.084 -2.256 -21.503 104 H PHE 15 H PHE 15 20.950 3.135 -19.059 105 HA PHE 15 HA PHE 15 19.052 3.940 -21.072 106 HB2 PHE 15 HB2 PHE 15 18.206 3.559 -18.903 107 HB3 PHE 15 HB3 PHE 15 19.555 4.395 -18.137 108 HD1 PHE 15 HD2 PHE 15 16.555 5.130 -20.268 109 HD2 PHE 15 HD1 PHE 15 19.332 6.526 -17.290 110 HE1 PHE 15 HE2 PHE 15 15.203 7.189 -19.955 111 HE2 PHE 15 HE1 PHE 15 17.897 8.462 -16.846 112 HZ PHE 15 HZ PHE 15 15.865 8.859 -18.235 113 H LYS 16 H LYS 16 21.808 5.466 -19.430 114 HA LYS 16 HA LYS 16 21.067 8.112 -20.304 115 HB2 LYS 16 HB2 LYS 16 23.703 7.173 -19.124 116 HB3 LYS 16 HB3 LYS 16 22.970 8.804 -19.044 117 HG2 LYS 16 HG2 LYS 16 21.055 7.741 -17.751 118 HG3 LYS 16 HG3 LYS 16 22.001 6.240 -17.718 119 HD2 LYS 16 HD2 LYS 16 22.395 7.327 -15.692 120 HD3 LYS 16 HD3 LYS 16 23.885 7.540 -16.650 121 HE2 LYS 16 HE2 LYS 16 23.100 9.825 -17.288 122 HE3 LYS 16 HE3 LYS 16 21.637 9.579 -16.328 123 HZ1 LYS 16 HZ1 LYS 16 24.385 9.602 -15.270 124 HZ2 LYS 16 HZ2 LYS 16 23.273 10.804 -15.090 125 HZ3 LYS 16 HZ3 LYS 16 23.020 9.357 -14.378 126 H GLN 17 H GLN 17 22.253 5.603 -22.131 127 HA GLN 17 HA GLN 17 24.361 7.205 -23.496 128 HB2 GLN 17 HB2 GLN 17 23.836 4.217 -23.209 129 HB3 GLN 17 HB3 GLN 17 25.023 4.901 -24.323 130 HG2 GLN 17 HG2 GLN 17 25.978 6.165 -22.289 131 HG3 GLN 17 HG3 GLN 17 24.990 5.083 -21.298 132 HE21 GLN 17 HE22 GLN 17 25.224 2.632 -22.574 133 HE22 GLN 17 HE21 GLN 17 26.905 2.126 -22.607 134 H GLY 18 H GLY 18 21.141 6.030 -23.933 135 HA2 GLY 18 HA2 GLY 18 20.257 6.889 -26.229 136 HA3 GLY 18 HA3 GLY 18 21.597 5.840 -26.867 137 H LEU 19 H LEU 19 21.176 3.917 -24.689 138 HA LEU 19 HA LEU 19 19.306 2.391 -26.403 139 HB2 LEU 19 HB2 LEU 19 20.790 0.451 -25.588 140 HB3 LEU 19 HB3 LEU 19 21.203 1.468 -26.936 141 HG LEU 19 HG LEU 19 22.569 2.799 -24.933 142 HD11 LEU 19 HD11 LEU 19 22.638 -0.149 -24.200 143 HD12 LEU 19 HD12 LEU 19 23.494 1.183 -23.379 144 HD13 LEU 19 HD13 LEU 19 21.719 1.063 -23.282 145 HD21 LEU 19 HD21 LEU 19 23.535 1.949 -27.035 146 HD22 LEU 19 HD22 LEU 19 24.552 1.535 -25.640 147 HD23 LEU 19 HD23 LEU 19 23.511 0.293 -26.374 148 H TYR 20 H TYR 20 17.907 3.538 -24.999 149 HA TYR 20 HA TYR 20 17.371 3.143 -22.331 150 HB2 TYR 20 HB2 TYR 20 15.395 3.210 -24.626 151 HB3 TYR 20 HB3 TYR 20 15.097 3.832 -23.006 152 HD1 TYR 20 HD2 TYR 20 17.275 5.471 -22.283 153 HD2 TYR 20 HD1 TYR 20 15.670 4.851 -26.225 154 HE1 TYR 20 HE2 TYR 20 18.228 7.652 -23.020 155 HE2 TYR 20 HE1 TYR 20 16.612 7.021 -26.964 156 HH TYR 20 HH TYR 20 17.821 8.874 -26.358 157 H ARG 21 H ARG 21 16.679 0.876 -25.064 158 HA ARG 21 HA ARG 21 14.987 -0.846 -23.435 159 HB2 ARG 21 HB2 ARG 21 15.324 -0.454 -26.097 160 HB3 ARG 21 HB3 ARG 21 16.492 -1.771 -25.880 161 HG2 ARG 21 HG2 ARG 21 13.515 -1.738 -25.442 162 HG3 ARG 21 HG3 ARG 21 14.504 -2.820 -26.463 163 HD2 ARG 21 HD2 ARG 21 15.460 -3.805 -24.333 164 HD3 ARG 21 HD3 ARG 21 14.327 -2.784 -23.425 165 HE ARG 21 HE ARG 21 12.528 -4.116 -24.117 166 HH11 ARG 21 HH11 ARG 21 15.538 -5.178 -25.651 167 HH12 ARG 21 HH12 ARG 21 14.863 -6.703 -26.173 168 HH21 ARG 21 HH21 ARG 21 11.692 -6.126 -24.798 169 HH22 ARG 21 HH22 ARG 21 12.704 -7.233 -25.697 170 H GLU 22 H GLU 22 18.417 -0.812 -24.487 171 HA GLU 22 HA GLU 22 19.019 -3.324 -23.259 172 HB2 GLU 22 HB2 GLU 22 20.824 -0.959 -23.884 173 HB3 GLU 22 HB3 GLU 22 21.369 -2.617 -23.525 174 HG2 GLU 22 HG2 GLU 22 20.111 -3.426 -25.507 175 HG3 GLU 22 HG3 GLU 22 19.660 -1.756 -25.898 176 H ALA 23 H ALA 23 18.346 -0.187 -22.014 177 HA ALA 23 HA ALA 23 19.612 -0.685 -19.438 178 HB1 ALA 23 HB1 ALA 23 18.702 1.423 -18.829 179 HB2 ALA 23 HB2 ALA 23 19.191 1.587 -20.537 180 HB3 ALA 23 HB3 ALA 23 17.487 1.386 -20.112 181 H VAL 24 H VAL 24 16.181 -0.680 -20.823 182 HA VAL 24 HA VAL 24 14.980 -1.292 -18.397 183 HB VAL 24 HB VAL 24 13.119 -1.232 -19.398 184 HG11 VAL 24 HG11 VAL 24 12.809 0.264 -21.038 185 HG12 VAL 24 HG12 VAL 24 14.416 0.650 -20.354 186 HG13 VAL 24 HG13 VAL 24 14.265 -0.202 -21.925 187 HG21 VAL 24 HG21 VAL 24 12.866 -3.261 -20.200 188 HG22 VAL 24 HG22 VAL 24 12.337 -2.136 -21.463 189 HG23 VAL 24 HG23 VAL 24 13.920 -2.984 -21.624 190 H HIS 25 H HIS 25 16.207 -3.285 -21.008 191 HA HIS 25 HA HIS 25 14.961 -5.651 -20.069 192 HB2 HIS 25 HB2 HIS 25 15.952 -6.758 -21.845 193 HB3 HIS 25 HB3 HIS 25 15.794 -5.099 -22.412 194 HD2 HIS 25 HD2 HIS 25 18.560 -4.141 -20.797 195 HE1 HIS 25 HE1 HIS 25 20.424 -6.718 -23.625 196 HE2 HIS 25 HE2 HIS 25 20.824 -4.863 -21.913 197 H CYS 26 H CYS 26 17.184 -3.938 -18.492 198 HA CYS 26 HA CYS 26 18.155 -6.330 -16.989 199 HB2 CYS 26 HB2 CYS 26 19.501 -3.625 -17.383 200 HB3 CYS 26 HB3 CYS 26 20.046 -4.878 -16.248 201 HG CYS 26 HG CYS 26 19.561 -5.181 -19.500 202 H TYR 27 H TYR 27 16.751 -3.085 -16.988 203 HA TYR 27 HA TYR 27 16.193 -2.687 -14.211 204 HB2 TYR 27 HB2 TYR 27 14.754 -2.101 -16.814 205 HB3 TYR 27 HB3 TYR 27 14.199 -1.429 -15.347 206 HD1 TYR 27 HD1 TYR 27 17.583 -1.168 -14.720 207 HD2 TYR 27 HD2 TYR 27 14.572 0.361 -17.396 208 HE1 TYR 27 HE1 TYR 27 18.856 0.941 -14.960 209 HE2 TYR 27 HE2 TYR 27 15.819 2.460 -17.637 210 HH TYR 27 HH TYR 27 18.947 3.010 -15.929 211 H ASP 28 H ASP 28 14.658 -4.664 -16.753 212 HA ASP 28 HA ASP 28 12.162 -5.029 -15.524 213 HB2 ASP 28 HB2 ASP 28 12.777 -5.539 -17.879 214 HB3 ASP 28 HB3 ASP 28 13.680 -6.955 -17.308 215 H GLN 29 H GLN 29 15.316 -6.572 -14.846 216 HA GLN 29 HA GLN 29 14.084 -8.671 -13.308 217 HB2 GLN 29 HB2 GLN 29 16.951 -7.654 -13.418 218 HB3 GLN 29 HB3 GLN 29 16.407 -9.045 -12.459 219 HG2 GLN 29 HG2 GLN 29 16.909 -10.244 -14.304 220 HG3 GLN 29 HG3 GLN 29 15.314 -9.735 -14.827 221 HE21 GLN 29 HE22 GLN 29 15.251 -8.923 -16.866 222 HE22 GLN 29 HE21 GLN 29 16.572 -8.109 -17.683 223 H LEU 30 H LEU 30 14.828 -5.311 -12.635 224 HA LEU 30 HA LEU 30 15.089 -5.464 -9.769 225 HB2 LEU 30 HB2 LEU 30 13.778 -3.338 -11.495 226 HB3 LEU 30 HB3 LEU 30 14.372 -3.115 -9.835 227 HG LEU 30 HG LEU 30 15.926 -3.598 -12.351 228 HD11 LEU 30 HD11 LEU 30 16.011 -1.369 -10.290 229 HD12 LEU 30 HD12 LEU 30 16.986 -1.464 -11.778 230 HD13 LEU 30 HD13 LEU 30 15.217 -1.279 -11.885 231 HD21 LEU 30 HD21 LEU 30 16.980 -4.948 -10.561 232 HD22 LEU 30 HD22 LEU 30 17.986 -3.533 -10.931 233 HD23 LEU 30 HD23 LEU 30 16.966 -3.536 -9.475 234 H ILE 31 H ILE 31 12.355 -5.490 -12.057 235 HA ILE 31 HA ILE 31 10.393 -5.358 -9.899 236 HB ILE 31 HB ILE 31 9.884 -6.143 -12.803 237 HG12 ILE 31 HG12 ILE 31 9.063 -3.516 -12.552 238 HG13 ILE 31 HG13 ILE 31 10.537 -3.502 -11.576 239 HG21 ILE 31 HG21 ILE 31 8.332 -4.861 -10.545 240 HG22 ILE 31 HG22 ILE 31 7.666 -5.228 -12.161 241 HG23 ILE 31 HG23 ILE 31 8.172 -6.568 -11.084 242 HD11 ILE 31 HD11 ILE 31 10.935 -2.914 -13.965 243 HD12 ILE 31 HD12 ILE 31 11.812 -4.390 -13.475 244 HD13 ILE 31 HD13 ILE 31 10.325 -4.509 -14.453 245 H THR 32 H THR 32 11.833 -7.925 -12.001 246 HA THR 32 HA THR 32 10.052 -9.916 -10.876 247 HB THR 32 HB THR 32 12.728 -9.944 -12.334 248 HG1 THR 32 HG1 THR 32 11.420 -10.636 -14.060 249 HG21 THR 32 HG21 THR 32 11.038 -12.383 -11.675 250 HG22 THR 32 HG22 THR 32 12.409 -12.338 -12.819 251 HG23 THR 32 HG23 THR 32 12.690 -12.022 -11.105 252 H ALA 33 H ALA 33 13.094 -8.487 -9.783 253 HA ALA 33 HA ALA 33 13.484 -10.640 -7.837 254 HB1 ALA 33 HB1 ALA 33 14.880 -7.942 -8.167 255 HB2 ALA 33 HB2 ALA 33 15.410 -9.257 -7.105 256 HB3 ALA 33 HB3 ALA 33 15.439 -9.483 -8.866 257 H GLN 34 H GLN 34 12.064 -7.408 -8.060 258 HA GLN 34 HA GLN 34 10.947 -7.729 -5.373 259 HB2 GLN 34 HB2 GLN 34 13.211 -6.315 -5.793 260 HB3 GLN 34 HB3 GLN 34 12.097 -5.069 -6.248 261 HG2 GLN 34 HG2 GLN 34 11.058 -5.209 -3.952 262 HG3 GLN 34 HG3 GLN 34 12.146 -6.567 -3.579 263 HE21 GLN 34 HE22 GLN 34 14.508 -5.867 -4.716 264 HE22 GLN 34 HE21 GLN 34 15.098 -4.280 -4.330 265 HA PRO 35 HA PRO 35 8.178 -6.440 -8.816 266 HB2 PRO 35 HB2 PRO 35 6.186 -8.319 -8.176 267 HB3 PRO 35 HB3 PRO 35 7.532 -8.494 -9.330 268 HG2 PRO 35 HG2 PRO 35 7.276 -9.803 -6.701 269 HG3 PRO 35 HG3 PRO 35 8.383 -10.158 -8.060 270 HD2 PRO 35 HD2 PRO 35 9.064 -8.819 -5.673 271 HD3 PRO 35 HD3 PRO 35 10.054 -9.175 -7.114 272 H GLN 36 H GLN 36 8.055 -6.614 -5.557 273 HA GLN 36 HA GLN 36 5.952 -4.517 -5.475 274 HB2 GLN 36 HB2 GLN 36 7.093 -5.951 -3.046 275 HB3 GLN 36 HB3 GLN 36 5.698 -4.867 -3.101 276 HG2 GLN 36 HG2 GLN 36 4.433 -6.714 -3.314 277 HG3 GLN 36 HG3 GLN 36 5.051 -6.834 -4.976 278 HE21 GLN 36 HE22 GLN 36 6.969 -8.134 -5.341 279 HE22 GLN 36 HE21 GLN 36 7.460 -9.394 -4.214 280 H ASN 37 H ASN 37 8.267 -3.715 -6.584 281 HA ASN 37 HA ASN 37 9.110 -1.676 -4.603 282 HB2 ASN 37 HB2 ASN 37 11.304 -2.297 -4.664 283 HB3 ASN 37 HB3 ASN 37 10.745 -3.764 -5.436 284 HD21 ASN 37 HD22 ASN 37 10.735 -3.902 -7.718 285 HD22 ASN 37 HD21 ASN 37 11.912 -2.982 -8.659 286 HA PRO 38 HA PRO 38 7.874 0.878 -8.037 287 HB2 PRO 38 HB2 PRO 38 9.605 2.867 -6.643 288 HB3 PRO 38 HB3 PRO 38 7.879 3.015 -7.142 289 HG2 PRO 38 HG2 PRO 38 8.703 2.726 -4.549 290 HG3 PRO 38 HG3 PRO 38 7.262 1.815 -5.141 291 HD2 PRO 38 HD2 PRO 38 10.139 0.843 -4.931 292 HD3 PRO 38 HD3 PRO 38 8.616 0.055 -4.368 293 H VAL 39 H VAL 39 11.334 1.622 -6.985 294 HA VAL 39 HA VAL 39 12.175 2.748 -9.294 295 HB VAL 39 HB VAL 39 13.917 2.813 -8.197 296 HG11 VAL 39 HG11 VAL 39 12.846 2.153 -6.160 297 HG12 VAL 39 HG12 VAL 39 13.487 0.486 -6.380 298 HG13 VAL 39 HG13 VAL 39 14.595 1.879 -6.251 299 HG21 VAL 39 HG21 VAL 39 14.422 -0.088 -8.901 300 HG22 VAL 39 HG22 VAL 39 14.940 1.370 -9.773 301 HG23 VAL 39 HG23 VAL 39 15.634 0.996 -8.179 302 H GLY 40 H GLY 40 11.665 -0.572 -8.769 303 HA2 GLY 40 HA2 GLY 40 12.767 -1.803 -11.146 304 HA3 GLY 40 HA3 GLY 40 11.366 -2.386 -10.321 305 H TYR 41 H TYR 41 9.398 -0.590 -10.722 306 HA TYR 41 HA TYR 41 8.775 -0.568 -13.493 307 HB2 TYR 41 HB2 TYR 41 7.753 0.918 -11.038 308 HB3 TYR 41 HB3 TYR 41 6.888 0.911 -12.544 309 HD1 TYR 41 HD1 TYR 41 6.208 -1.375 -13.550 310 HD2 TYR 41 HD2 TYR 41 7.443 -0.809 -9.480 311 HE1 TYR 41 HE1 TYR 41 5.132 -3.532 -12.942 312 HE2 TYR 41 HE2 TYR 41 6.406 -2.997 -8.858 313 HH TYR 41 HH TYR 41 4.678 -5.019 -11.262 314 H SER 42 H SER 42 10.266 1.801 -11.265 315 HA SER 42 HA SER 42 9.667 4.094 -12.852 316 HB2 SER 42 HB2 SER 42 11.967 3.893 -10.864 317 HB3 SER 42 HB3 SER 42 10.990 5.308 -11.311 318 HG SER 42 HG SER 42 10.367 4.363 -9.337 319 H ASN 43 H ASN 43 12.478 1.892 -12.802 320 HA ASN 43 HA ASN 43 14.123 3.604 -14.470 321 HB2 ASN 43 HB2 ASN 43 14.262 0.690 -13.619 322 HB3 ASN 43 HB3 ASN 43 15.440 1.485 -14.688 323 HD21 ASN 43 HD22 ASN 43 17.213 1.381 -13.404 324 HD22 ASN 43 HD21 ASN 43 17.346 2.270 -11.901 325 H LYS 44 H LYS 44 12.314 0.513 -15.033 326 HA LYS 44 HA LYS 44 12.587 0.403 -17.871 327 HB2 LYS 44 HB2 LYS 44 11.893 -1.456 -16.560 328 HB3 LYS 44 HB3 LYS 44 10.428 -0.608 -16.015 329 HG2 LYS 44 HG2 LYS 44 9.489 -0.628 -18.229 330 HG3 LYS 44 HG3 LYS 44 11.037 -1.097 -18.956 331 HD2 LYS 44 HD2 LYS 44 9.489 -2.988 -18.886 332 HD3 LYS 44 HD3 LYS 44 10.926 -3.298 -17.901 333 HE2 LYS 44 HE2 LYS 44 9.684 -2.764 -15.853 334 HE3 LYS 44 HE3 LYS 44 8.265 -2.307 -16.805 335 HZ1 LYS 44 HZ1 LYS 44 8.104 -4.561 -17.577 336 HZ2 LYS 44 HZ2 LYS 44 9.443 -5.006 -16.754 337 HZ3 LYS 44 HZ3 LYS 44 8.096 -4.547 -15.935 338 H ALA 45 H ALA 45 10.476 2.322 -15.738 339 HA ALA 45 HA ALA 45 8.597 3.088 -17.800 340 HB1 ALA 45 HB1 ALA 45 9.277 4.394 -15.125 341 HB2 ALA 45 HB2 ALA 45 7.872 4.785 -16.142 342 HB3 ALA 45 HB3 ALA 45 8.005 3.184 -15.398 343 H MET 46 H MET 46 11.308 4.887 -16.164 344 HA MET 46 HA MET 46 10.993 7.207 -17.710 345 HB2 MET 46 HB2 MET 46 12.315 7.019 -15.603 346 HB3 MET 46 HB3 MET 46 13.525 6.067 -16.477 347 HG2 MET 46 HG2 MET 46 14.363 8.253 -16.343 348 HG3 MET 46 HG3 MET 46 13.855 8.058 -18.015 349 HE1 MET 46 HE1 MET 46 10.754 8.976 -18.314 350 HE2 MET 46 HE2 MET 46 11.159 10.686 -18.543 351 HE3 MET 46 HE3 MET 46 12.217 9.427 -19.212 352 H ALA 47 H ALA 47 12.601 4.143 -18.446 353 HA ALA 47 HA ALA 47 13.977 5.115 -20.800 354 HB1 ALA 47 HB1 ALA 47 13.165 2.332 -19.877 355 HB2 ALA 47 HB2 ALA 47 14.270 2.689 -21.227 356 HB3 ALA 47 HB3 ALA 47 14.727 3.142 -19.570 357 H LEU 48 H LEU 48 10.774 3.496 -20.180 358 HA LEU 48 HA LEU 48 10.084 3.156 -22.904 359 HB2 LEU 48 HB2 LEU 48 8.472 3.571 -20.370 360 HB3 LEU 48 HB3 LEU 48 7.688 3.387 -21.948 361 HG LEU 48 HG LEU 48 9.622 1.335 -20.804 362 HD11 LEU 48 HD11 LEU 48 7.556 1.532 -19.406 363 HD12 LEU 48 HD12 LEU 48 6.571 1.375 -20.881 364 HD13 LEU 48 HD13 LEU 48 7.566 0.012 -20.330 365 HD21 LEU 48 HD21 LEU 48 9.334 1.358 -23.279 366 HD22 LEU 48 HD22 LEU 48 8.700 -0.112 -22.518 367 HD23 LEU 48 HD23 LEU 48 7.566 1.154 -23.037 368 H ILE 49 H ILE 49 10.145 6.110 -20.917 369 HA ILE 49 HA ILE 49 8.543 7.655 -22.803 370 HB ILE 49 HB ILE 49 10.468 8.243 -20.514 371 HG12 ILE 49 HG12 ILE 49 8.465 9.596 -19.732 372 HG13 ILE 49 HG13 ILE 49 7.548 8.897 -21.077 373 HG21 ILE 49 HG21 ILE 49 9.289 10.318 -22.390 374 HG22 ILE 49 HG22 ILE 49 10.147 10.667 -20.881 375 HG23 ILE 49 HG23 ILE 49 11.027 9.912 -22.221 376 HD11 ILE 49 HD11 ILE 49 8.861 7.414 -18.769 377 HD12 ILE 49 HD12 ILE 49 7.125 7.648 -19.047 378 HD13 ILE 49 HD13 ILE 49 8.058 6.613 -20.153 379 H LYS 50 H LYS 50 12.083 7.252 -22.260 380 HA LYS 50 HA LYS 50 12.808 8.812 -24.530 381 HB2 LYS 50 HB2 LYS 50 14.044 7.277 -22.391 382 HB3 LYS 50 HB3 LYS 50 14.809 6.927 -23.946 383 HG2 LYS 50 HG2 LYS 50 15.899 8.852 -22.912 384 HG3 LYS 50 HG3 LYS 50 15.036 9.353 -24.385 385 HD2 LYS 50 HD2 LYS 50 14.607 10.998 -22.701 386 HD3 LYS 50 HD3 LYS 50 13.104 10.076 -22.870 387 HE2 LYS 50 HE2 LYS 50 13.506 8.895 -20.836 388 HE3 LYS 50 HE3 LYS 50 15.218 9.346 -20.831 389 HZ1 LYS 50 HZ1 LYS 50 12.983 11.247 -20.479 390 HZ2 LYS 50 HZ2 LYS 50 13.957 10.682 -19.271 391 HZ3 LYS 50 HZ3 LYS 50 14.573 11.627 -20.449 392 H LEU 51 H LEU 51 11.298 5.731 -24.378 393 HA LEU 51 HA LEU 51 12.264 4.961 -27.075 394 HB2 LEU 51 HB2 LEU 51 10.671 3.592 -24.883 395 HB3 LEU 51 HB3 LEU 51 10.878 2.910 -26.504 396 HG LEU 51 HG LEU 51 13.216 3.629 -24.679 397 HD11 LEU 51 HD11 LEU 51 11.864 0.932 -25.141 398 HD12 LEU 51 HD12 LEU 51 13.361 1.211 -24.219 399 HD13 LEU 51 HD13 LEU 51 11.828 1.876 -23.630 400 HD21 LEU 51 HD21 LEU 51 13.811 3.483 -27.054 401 HD22 LEU 51 HD22 LEU 51 14.448 2.080 -26.170 402 HD23 LEU 51 HD23 LEU 51 12.999 1.899 -27.182 403 H GLY 52 H GLY 52 9.897 6.691 -25.369 404 HA2 GLY 52 HA2 GLY 52 8.012 7.761 -25.931 405 HA3 GLY 52 HA3 GLY 52 8.300 7.362 -27.626 406 H GLU 53 H GLU 53 8.233 4.822 -25.281 407 HA GLU 53 HA GLU 53 5.615 3.830 -26.205 408 HB2 GLU 53 HB2 GLU 53 7.968 2.616 -24.658 409 HB3 GLU 53 HB3 GLU 53 6.486 1.701 -25.027 410 HG2 GLU 53 HG2 GLU 53 8.151 3.011 -27.207 411 HG3 GLU 53 HG3 GLU 53 8.547 1.418 -26.567 412 H TYR 54 H TYR 54 5.359 5.963 -25.023 413 HA TYR 54 HA TYR 54 5.078 6.273 -22.310 414 HB2 TYR 54 HB2 TYR 54 3.175 7.025 -24.526 415 HB3 TYR 54 HB3 TYR 54 3.212 7.787 -23.054 416 HD1 TYR 54 HD2 TYR 54 6.094 8.360 -22.554 417 HD2 TYR 54 HD1 TYR 54 3.978 8.311 -26.289 418 HE1 TYR 54 HE2 TYR 54 7.780 9.908 -23.538 419 HE2 TYR 54 HE1 TYR 54 5.708 9.764 -27.306 420 HH TYR 54 HH TYR 54 7.612 10.998 -26.939 421 H THR 55 H THR 55 2.997 4.296 -24.524 422 HA THR 55 HA THR 55 0.613 4.406 -23.015 423 HB THR 55 HB THR 55 1.462 1.840 -24.350 424 HG1 THR 55 HG1 THR 55 0.963 2.815 -26.357 425 HG21 THR 55 HG21 THR 55 -1.050 3.485 -24.245 426 HG22 THR 55 HG22 THR 55 -0.840 1.938 -25.145 427 HG23 THR 55 HG23 THR 55 -0.675 1.954 -23.373 428 H GLN 56 H GLN 56 3.597 2.725 -22.564 429 HA GLN 56 HA GLN 56 2.499 0.710 -20.713 430 HB2 GLN 56 HB2 GLN 56 5.129 1.036 -22.227 431 HB3 GLN 56 HB3 GLN 56 4.590 -0.425 -21.350 432 HG2 GLN 56 HG2 GLN 56 3.309 -1.000 -23.243 433 HG3 GLN 56 HG3 GLN 56 2.444 0.462 -23.065 434 HE21 GLN 56 HE22 GLN 56 3.097 2.340 -24.088 435 HE22 GLN 56 HE21 GLN 56 3.953 2.260 -25.623 436 H ALA 57 H ALA 57 4.828 3.304 -21.167 437 HA ALA 57 HA ALA 57 6.100 3.383 -18.665 438 HB1 ALA 57 HB1 ALA 57 5.066 5.666 -20.430 439 HB2 ALA 57 HB2 ALA 57 6.295 5.808 -19.149 440 HB3 ALA 57 HB3 ALA 57 6.621 4.850 -20.632 441 H ILE 58 H ILE 58 2.936 4.712 -19.693 442 HA ILE 58 HA ILE 58 2.194 5.955 -17.247 443 HB ILE 58 HB ILE 58 0.547 4.592 -19.407 444 HG12 ILE 58 HG12 ILE 58 0.925 7.581 -19.108 445 HG13 ILE 58 HG13 ILE 58 2.165 6.624 -19.912 446 HG21 ILE 58 HG21 ILE 58 -0.292 6.694 -17.362 447 HG22 ILE 58 HG22 ILE 58 -1.297 6.092 -18.691 448 HG23 ILE 58 HG23 ILE 58 -0.833 4.993 -17.374 449 HD11 ILE 58 HD11 ILE 58 0.394 5.642 -21.416 450 HD12 ILE 58 HD12 ILE 58 -0.779 6.772 -20.706 451 HD13 ILE 58 HD13 ILE 58 0.641 7.387 -21.600 452 H GLN 59 H GLN 59 1.942 2.532 -18.431 453 HA GLN 59 HA GLN 59 0.336 1.679 -16.229 454 HB2 GLN 59 HB2 GLN 59 2.252 0.044 -17.913 455 HB3 GLN 59 HB3 GLN 59 0.850 -0.493 -16.951 456 HG2 GLN 59 HG2 GLN 59 0.937 1.043 -19.533 457 HG3 GLN 59 HG3 GLN 59 0.109 -0.497 -19.181 458 HE21 GLN 59 HE22 GLN 59 -0.510 2.484 -20.052 459 HE22 GLN 59 HE21 GLN 59 -1.934 2.867 -19.073 460 H MET 60 H MET 60 3.846 1.917 -16.783 461 HA MET 60 HA MET 60 4.650 0.383 -14.472 462 HB2 MET 60 HB2 MET 60 6.107 2.595 -15.957 463 HB3 MET 60 HB3 MET 60 6.822 1.466 -14.794 464 HG2 MET 60 HG2 MET 60 5.796 0.870 -17.575 465 HG3 MET 60 HG3 MET 60 7.437 0.763 -16.965 466 HE1 MET 60 HE1 MET 60 3.793 -0.822 -16.370 467 HE2 MET 60 HE2 MET 60 4.461 -0.979 -18.012 468 HE3 MET 60 HE3 MET 60 4.245 -2.425 -16.990 469 H CYS 61 H CYS 61 4.127 3.918 -15.009 470 HA CYS 61 HA CYS 61 5.332 4.686 -12.534 471 HB2 CYS 61 HB2 CYS 61 3.301 6.093 -14.284 472 HB3 CYS 61 HB3 CYS 61 4.221 6.836 -12.955 473 HG CYS 61 HG CYS 61 5.377 5.321 -15.657 474 H GLN 62 H GLN 62 1.860 4.385 -13.504 475 HA GLN 62 HA GLN 62 0.846 4.765 -10.886 476 HB2 GLN 62 HB2 GLN 62 -1.222 3.740 -11.707 477 HB3 GLN 62 HB3 GLN 62 -0.575 5.003 -12.779 478 HG2 GLN 62 HG2 GLN 62 -0.833 3.535 -14.460 479 HG3 GLN 62 HG3 GLN 62 0.547 2.660 -13.785 480 HE21 GLN 62 HE22 GLN 62 0.135 0.845 -12.343 481 HE22 GLN 62 HE21 GLN 62 -1.406 0.018 -12.378 482 H GLN 63 H GLN 63 2.244 1.816 -12.298 483 HA GLN 63 HA GLN 63 1.444 0.032 -10.148 484 HB2 GLN 63 HB2 GLN 63 3.064 0.027 -12.567 485 HB3 GLN 63 HB3 GLN 63 4.052 -0.549 -11.234 486 HG2 GLN 63 HG2 GLN 63 2.969 -2.371 -12.390 487 HG3 GLN 63 HG3 GLN 63 2.386 -2.288 -10.708 488 HE21 GLN 63 HE22 GLN 63 1.575 -1.767 -14.137 489 HE22 GLN 63 HE21 GLN 63 -0.163 -1.704 -13.897 490 H GLY 64 H GLY 64 4.442 2.026 -10.700 491 HA2 GLY 64 HA2 GLY 64 5.856 1.277 -8.483 492 HA3 GLY 64 HA3 GLY 64 5.820 2.930 -9.117 493 H LEU 65 H LEU 65 3.056 3.490 -8.592 494 HA LEU 65 HA LEU 65 3.172 4.549 -5.965 495 HB2 LEU 65 HB2 LEU 65 0.923 4.076 -7.942 496 HB3 LEU 65 HB3 LEU 65 0.654 4.885 -6.400 497 HG LEU 65 HG LEU 65 2.665 5.866 -8.462 498 HD11 LEU 65 HD11 LEU 65 -0.136 6.883 -7.855 499 HD12 LEU 65 HD12 LEU 65 0.988 7.464 -9.109 500 HD13 LEU 65 HD13 LEU 65 0.272 5.851 -9.253 501 HD21 LEU 65 HD21 LEU 65 3.200 6.720 -6.268 502 HD22 LEU 65 HD22 LEU 65 2.277 8.009 -7.074 503 HD23 LEU 65 HD23 LEU 65 1.476 6.987 -5.883 504 H ARG 66 H ARG 66 2.610 1.253 -6.773 505 HA ARG 66 HA ARG 66 0.427 0.746 -4.896 506 HB2 ARG 66 HB2 ARG 66 2.322 -0.922 -6.624 507 HB3 ARG 66 HB3 ARG 66 0.979 -1.617 -5.737 508 HG2 ARG 66 HG2 ARG 66 -0.598 -0.130 -6.953 509 HG3 ARG 66 HG3 ARG 66 0.744 0.537 -7.887 510 HD2 ARG 66 HD2 ARG 66 -0.251 -1.191 -9.195 511 HD3 ARG 66 HD3 ARG 66 1.345 -1.752 -8.655 512 HE ARG 66 HE ARG 66 -0.192 -2.793 -6.714 513 HH11 ARG 66 HH11 ARG 66 -0.702 -2.811 -10.216 514 HH12 ARG 66 HH12 ARG 66 -1.589 -4.321 -10.190 515 HH21 ARG 66 HH21 ARG 66 -1.352 -4.749 -6.720 516 HH22 ARG 66 HH22 ARG 66 -1.945 -5.413 -8.226 517 H TYR 67 H TYR 67 3.773 1.065 -4.976 518 HA TYR 67 HA TYR 67 4.227 -0.628 -2.567 519 HB2 TYR 67 HB2 TYR 67 6.201 0.214 -4.704 520 HB3 TYR 67 HB3 TYR 67 6.357 -1.114 -3.550 521 HD1 TYR 67 HD2 TYR 67 4.402 -2.939 -3.740 522 HD2 TYR 67 HD1 TYR 67 5.510 -0.176 -6.846 523 HE1 TYR 67 HE2 TYR 67 3.428 -4.471 -5.418 524 HE2 TYR 67 HE1 TYR 67 4.387 -1.614 -8.518 525 HH TYR 67 HH TYR 67 3.313 -3.620 -8.912 526 H THR 68 H THR 68 4.186 2.651 -3.589 527 HA THR 68 HA THR 68 6.496 3.537 -2.086 528 HB THR 68 HB THR 68 5.583 5.821 -2.605 529 HG1 THR 68 HG1 THR 68 3.385 5.274 -2.713 530 HG21 THR 68 HG21 THR 68 5.909 3.784 -4.833 531 HG22 THR 68 HG22 THR 68 5.854 5.554 -5.096 532 HG23 THR 68 HG23 THR 68 7.153 4.824 -4.127 533 H SER 69 H SER 69 4.197 2.046 -0.711 534 HA SER 69 HA SER 69 2.909 3.796 1.126 535 HB2 SER 69 HB2 SER 69 3.612 0.839 1.245 536 HB3 SER 69 HB3 SER 69 2.547 1.685 2.387 537 HG SER 69 HG SER 69 1.398 0.689 0.646 538 H THR 70 H THR 70 6.143 3.469 0.881 539 HA THR 70 HA THR 70 6.589 3.901 3.790 540 HB THR 70 HB THR 70 7.098 1.556 3.442 541 HG1 THR 70 HG1 THR 70 8.566 2.623 4.726 542 HG21 THR 70 HG21 THR 70 7.364 1.459 1.047 543 HG22 THR 70 HG22 THR 70 8.781 2.525 1.099 544 HG23 THR 70 HG23 THR 70 8.868 0.886 1.793 545 H ALA 71 H ALA 71 8.631 4.979 4.281 546 HA ALA 71 HA ALA 71 8.910 7.214 2.484 547 HB1 ALA 71 HB1 ALA 71 8.853 7.447 4.928 548 HB2 ALA 71 HB2 ALA 71 10.383 6.547 5.057 549 HB3 ALA 71 HB3 ALA 71 10.333 8.131 4.242 550 H GLU 72 H GLU 72 10.634 4.174 2.563 551 HA GLU 72 HA GLU 72 13.096 5.279 1.480 552 HB2 GLU 72 HB2 GLU 72 13.507 2.922 0.803 553 HB3 GLU 72 HB3 GLU 72 13.114 3.076 2.527 554 HG2 GLU 72 HG2 GLU 72 10.750 2.477 1.974 555 HG3 GLU 72 HG3 GLU 72 11.243 2.182 0.310 556 H HIS 73 H HIS 73 9.923 4.991 0.347 557 HA HIS 73 HA HIS 73 10.806 4.838 -2.491 558 HB2 HIS 73 HB2 HIS 73 8.336 3.776 -1.102 559 HB3 HIS 73 HB3 HIS 73 8.486 3.906 -2.856 560 HD2 HIS 73 HD2 HIS 73 11.830 2.939 -2.137 561 HE1 HIS 73 HE1 HIS 73 9.810 -0.804 -2.080 562 HE2 HIS 73 HE2 HIS 73 12.089 0.331 -2.219 563 H VAL 74 H VAL 74 9.640 6.972 -0.175 564 HA VAL 74 HA VAL 74 7.547 8.295 -1.555 565 HB VAL 74 HB VAL 74 8.177 8.668 0.823 566 HG11 VAL 74 HG11 VAL 74 10.444 10.380 -0.293 567 HG12 VAL 74 HG12 VAL 74 10.020 10.132 1.410 568 HG13 VAL 74 HG13 VAL 74 10.683 8.785 0.451 569 HG21 VAL 74 HG21 VAL 74 6.816 10.301 -0.477 570 HG22 VAL 74 HG22 VAL 74 7.817 11.098 0.771 571 HG23 VAL 74 HG23 VAL 74 8.324 11.143 -0.932 572 H ALA 75 H ALA 75 11.051 8.457 -1.844 573 HA ALA 75 HA ALA 75 11.346 10.731 -3.517 574 HB1 ALA 75 HB1 ALA 75 13.186 9.448 -2.446 575 HB2 ALA 75 HB2 ALA 75 12.855 8.096 -3.569 576 HB3 ALA 75 HB3 ALA 75 13.430 9.662 -4.199 577 H ILE 76 H ILE 76 10.432 7.337 -4.255 578 HA ILE 76 HA ILE 76 10.454 7.840 -7.110 579 HB ILE 76 HB ILE 76 9.425 5.512 -5.455 580 HG12 ILE 76 HG12 ILE 76 12.088 6.493 -6.343 581 HG13 ILE 76 HG13 ILE 76 11.673 5.333 -5.057 582 HG21 ILE 76 HG21 ILE 76 9.844 6.050 -8.424 583 HG22 ILE 76 HG22 ILE 76 9.621 4.409 -7.771 584 HG23 ILE 76 HG23 ILE 76 8.334 5.593 -7.588 585 HD11 ILE 76 HD11 ILE 76 11.759 5.092 -8.068 586 HD12 ILE 76 HD12 ILE 76 13.032 4.489 -6.956 587 HD13 ILE 76 HD13 ILE 76 11.414 3.699 -6.960 588 H ARG 77 H ARG 77 8.055 7.816 -4.489 589 HA ARG 77 HA ARG 77 5.721 7.783 -6.122 590 HB2 ARG 77 HB2 ARG 77 5.575 7.574 -3.711 591 HB3 ARG 77 HB3 ARG 77 6.259 9.191 -3.464 592 HG2 ARG 77 HG2 ARG 77 3.888 9.041 -5.259 593 HG3 ARG 77 HG3 ARG 77 3.581 8.647 -3.550 594 HD2 ARG 77 HD2 ARG 77 4.642 10.759 -2.849 595 HD3 ARG 77 HD3 ARG 77 4.950 11.183 -4.538 596 HE ARG 77 HE ARG 77 2.177 10.646 -4.246 597 HH11 ARG 77 HH11 ARG 77 4.581 13.031 -3.236 598 HH12 ARG 77 HH12 ARG 77 3.421 14.338 -3.156 599 HH21 ARG 77 HH21 ARG 77 0.686 12.363 -4.121 600 HH22 ARG 77 HH22 ARG 77 1.220 13.956 -3.632 601 H SER 78 H SER 78 8.169 10.157 -5.536 602 HA SER 78 HA SER 78 6.739 12.350 -6.857 603 HB2 SER 78 HB2 SER 78 8.562 12.590 -5.056 604 HB3 SER 78 HB3 SER 78 9.709 11.984 -6.258 605 HG SER 78 HG SER 78 9.598 14.289 -6.198 606 H LYS 79 H LYS 79 8.895 9.621 -7.846 607 HA LYS 79 HA LYS 79 9.491 11.028 -10.342 608 HB2 LYS 79 HB2 LYS 79 10.172 8.253 -9.286 609 HB3 LYS 79 HB3 LYS 79 10.696 8.887 -10.862 610 HG2 LYS 79 HG2 LYS 79 11.801 10.795 -9.776 611 HG3 LYS 79 HG3 LYS 79 11.327 10.182 -8.183 612 HD2 LYS 79 HD2 LYS 79 12.665 8.194 -8.475 613 HD3 LYS 79 HD3 LYS 79 12.991 8.602 -10.187 614 HE2 LYS 79 HE2 LYS 79 14.108 10.640 -9.527 615 HE3 LYS 79 HE3 LYS 79 13.763 10.319 -7.804 616 HZ1 LYS 79 HZ1 LYS 79 15.492 8.722 -9.576 617 HZ2 LYS 79 HZ2 LYS 79 15.981 9.629 -8.292 618 HZ3 LYS 79 HZ3 LYS 79 15.069 8.266 -8.074 619 H LEU 80 H LEU 80 7.344 8.354 -9.278 620 HA LEU 80 HA LEU 80 6.709 7.370 -11.858 621 HB2 LEU 80 HB2 LEU 80 5.153 7.608 -9.256 622 HB3 LEU 80 HB3 LEU 80 4.451 6.852 -10.681 623 HG LEU 80 HG LEU 80 5.508 4.913 -10.299 624 HD11 LEU 80 HD11 LEU 80 8.110 6.315 -9.834 625 HD12 LEU 80 HD12 LEU 80 7.802 4.553 -9.904 626 HD13 LEU 80 HD13 LEU 80 7.493 5.536 -11.335 627 HD21 LEU 80 HD21 LEU 80 4.825 5.458 -8.027 628 HD22 LEU 80 HD22 LEU 80 6.367 4.577 -7.991 629 HD23 LEU 80 HD23 LEU 80 6.340 6.335 -7.746 630 H GLN 81 H GLN 81 5.398 10.084 -10.000 631 HA GLN 81 HA GLN 81 3.129 10.687 -11.542 632 HB2 GLN 81 HB2 GLN 81 4.799 11.617 -9.306 633 HB3 GLN 81 HB3 GLN 81 3.996 12.967 -10.117 634 HG2 GLN 81 HG2 GLN 81 2.799 11.917 -8.175 635 HG3 GLN 81 HG3 GLN 81 1.849 12.020 -9.702 636 HE21 GLN 81 HE22 GLN 81 4.194 9.730 -8.182 637 HE22 GLN 81 HE21 GLN 81 3.261 8.295 -8.578 638 H TYR 82 H TYR 82 6.537 11.570 -11.922 639 HA TYR 82 HA TYR 82 5.934 13.883 -13.544 640 HB2 TYR 82 HB2 TYR 82 7.999 14.065 -12.517 641 HB3 TYR 82 HB3 TYR 82 8.355 12.353 -12.720 642 HD1 TYR 82 HD2 TYR 82 8.348 15.630 -14.477 643 HD2 TYR 82 HD1 TYR 82 9.304 11.466 -14.742 644 HE1 TYR 82 HE2 TYR 82 9.908 16.107 -16.363 645 HE2 TYR 82 HE1 TYR 82 11.050 11.950 -16.467 646 HH TYR 82 HH TYR 82 11.939 13.565 -17.859 647 H ARG 83 H ARG 83 6.869 10.456 -14.276 648 HA ARG 83 HA ARG 83 6.865 11.167 -17.152 649 HB2 ARG 83 HB2 ARG 83 6.892 8.357 -16.116 650 HB3 ARG 83 HB3 ARG 83 7.474 9.006 -17.657 651 HG2 ARG 83 HG2 ARG 83 9.379 8.378 -16.535 652 HG3 ARG 83 HG3 ARG 83 9.342 10.123 -16.274 653 HD2 ARG 83 HD2 ARG 83 8.552 9.796 -13.992 654 HD3 ARG 83 HD3 ARG 83 8.164 8.093 -14.312 655 HE ARG 83 HE ARG 83 10.989 8.958 -14.611 656 HH11 ARG 83 HH11 ARG 83 8.581 7.242 -12.702 657 HH12 ARG 83 HH12 ARG 83 9.770 6.420 -11.709 658 HH21 ARG 83 HH21 ARG 83 12.532 7.883 -13.319 659 HH22 ARG 83 HH22 ARG 83 12.013 6.810 -12.052 660 H LEU 84 H LEU 84 4.814 10.022 -14.668 661 HA LEU 84 HA LEU 84 2.743 8.875 -16.330 662 HB2 LEU 84 HB2 LEU 84 3.196 8.296 -13.974 663 HB3 LEU 84 HB3 LEU 84 2.828 9.902 -13.458 664 HG LEU 84 HG LEU 84 0.460 9.642 -14.170 665 HD11 LEU 84 HD11 LEU 84 0.836 8.071 -16.056 666 HD12 LEU 84 HD12 LEU 84 1.329 6.807 -14.911 667 HD13 LEU 84 HD13 LEU 84 -0.342 7.420 -14.896 668 HD21 LEU 84 HD21 LEU 84 -0.123 8.071 -12.411 669 HD22 LEU 84 HD22 LEU 84 1.517 7.364 -12.461 670 HD23 LEU 84 HD23 LEU 84 1.300 9.035 -11.923 671 H GLU 85 H GLU 85 3.872 11.985 -15.872 672 HA GLU 85 HA GLU 85 1.226 13.125 -16.678 673 HB2 GLU 85 HB2 GLU 85 1.626 15.064 -15.584 674 HB3 GLU 85 HB3 GLU 85 2.326 13.838 -14.472 675 HG2 GLU 85 HG2 GLU 85 4.550 14.410 -15.165 676 HG3 GLU 85 HG3 GLU 85 3.926 15.456 -16.470 677 H LEU 86 H LEU 86 4.148 12.182 -17.894 678 HA LEU 86 HA LEU 86 3.975 14.270 -20.004 679 HB2 LEU 86 HB2 LEU 86 6.264 14.229 -20.274 680 HB3 LEU 86 HB3 LEU 86 6.069 13.988 -18.531 681 HG LEU 86 HG LEU 86 6.184 11.415 -19.210 682 HD11 LEU 86 HD11 LEU 86 7.725 11.082 -21.130 683 HD12 LEU 86 HD12 LEU 86 6.258 11.901 -21.689 684 HD13 LEU 86 HD13 LEU 86 7.739 12.833 -21.430 685 HD21 LEU 86 HD21 LEU 86 8.431 11.366 -18.574 686 HD22 LEU 86 HD22 LEU 86 8.780 12.970 -19.297 687 HD23 LEU 86 HD23 LEU 86 7.828 12.827 -17.806 688 H ALA 87 H ALA 87 4.363 10.729 -19.445 689 HA ALA 87 HA ALA 87 4.614 9.914 -22.073 690 HB1 ALA 87 HB1 ALA 87 3.417 8.587 -19.586 691 HB2 ALA 87 HB2 ALA 87 3.883 7.717 -21.057 692 HB3 ALA 87 HB3 ALA 87 5.118 8.558 -20.082 693 H GLN 88 H GLN 88 1.682 9.864 -19.950 694 HA GLN 88 HA GLN 88 -0.213 9.122 -21.936 695 HB2 GLN 88 HB2 GLN 88 -1.857 10.076 -20.338 696 HB3 GLN 88 HB3 GLN 88 -0.775 8.782 -19.751 697 HG2 GLN 88 HG2 GLN 88 0.604 10.359 -18.583 698 HG3 GLN 88 HG3 GLN 88 -0.229 11.725 -19.367 699 HE21 GLN 88 HE22 GLN 88 -0.757 8.819 -17.275 700 HE22 GLN 88 HE21 GLN 88 -2.010 9.504 -16.279 701 H GLY 89 H GLY 89 1.379 12.127 -21.402 702 HA2 GLY 89 HA2 GLY 89 -0.663 13.664 -22.921 703 HA3 GLY 89 HA3 GLY 89 0.740 14.320 -22.041 704 H ALA 90 H ALA 90 1.508 11.504 -23.782 705 HA ALA 90 HA ALA 90 2.456 12.981 -26.187 706 HB1 ALA 90 HB1 ALA 90 4.059 11.157 -24.392 707 HB2 ALA 90 HB2 ALA 90 4.658 11.957 -25.865 708 HB3 ALA 90 HB3 ALA 90 4.229 12.945 -24.438 709 H VAL 91 H VAL 91 1.324 10.014 -24.664 710 HA VAL 91 HA VAL 91 2.319 7.885 -26.108 711 HB VAL 91 HB VAL 91 -0.530 8.322 -25.767 712 HG11 VAL 91 HG11 VAL 91 -0.468 5.838 -25.282 713 HG12 VAL 91 HG12 VAL 91 0.301 6.211 -26.847 714 HG13 VAL 91 HG13 VAL 91 1.309 5.901 -25.398 715 HG21 VAL 91 HG21 VAL 91 -0.474 7.455 -23.521 716 HG22 VAL 91 HG22 VAL 91 1.314 7.608 -23.527 717 HG23 VAL 91 HG23 VAL 91 0.256 9.058 -23.751 718 H GLY 92 H GLY 92 -0.348 9.923 -27.063 719 HA2 GLY 92 HA2 GLY 92 -0.095 9.078 -29.915 720 HA3 GLY 92 HA3 GLY 92 -1.659 9.072 -29.059 721 H SER 93 H SER 93 0.731 11.585 -28.410 722 HA SER 93 HA SER 93 -1.052 13.719 -29.087 723 HB2 SER 93 HB2 SER 93 0.863 15.154 -28.623 724 HB3 SER 93 HB3 SER 93 0.749 13.873 -27.398 725 HG SER 93 HG SER 93 2.885 14.173 -28.223 726 H VAL 94 H VAL 94 -0.059 15.581 -30.474 727 HA VAL 94 HA VAL 94 -0.080 16.412 -32.557 728 HB VAL 94 HB VAL 94 2.004 14.266 -33.048 729 HG11 VAL 94 HG11 VAL 94 2.706 15.841 -34.866 730 HG12 VAL 94 HG12 VAL 94 1.068 15.208 -35.142 731 HG13 VAL 94 HG13 VAL 94 1.282 16.854 -34.512 732 HG21 VAL 94 HG21 VAL 94 2.198 17.191 -32.199 733 HG22 VAL 94 HG22 VAL 94 2.553 15.783 -31.167 734 HG23 VAL 94 HG23 VAL 94 3.578 16.131 -32.571 735 H GLN 95 H GLN 95 -2.030 16.222 -33.391 736 HA GLN 95 HA GLN 95 -2.941 13.741 -34.591 737 HB2 GLN 95 HB2 GLN 95 -4.146 16.542 -34.475 738 HB3 GLN 95 HB3 GLN 95 -4.963 15.037 -34.944 739 HG2 GLN 95 HG2 GLN 95 -3.848 15.785 -32.202 740 HG3 GLN 95 HG3 GLN 95 -5.546 15.565 -32.630 741 HE21 GLN 95 HE22 GLN 95 -3.062 14.140 -31.020 742 HE22 GLN 95 HE21 GLN 95 -3.484 12.455 -31.202 743 H ILE 96 H ILE 96 -0.687 15.782 -35.697 744 HA ILE 96 HA ILE 96 -1.646 15.643 -38.503 745 HB ILE 96 HB ILE 96 -0.740 17.942 -38.877 746 HG12 ILE 96 HG12 ILE 96 -0.648 18.066 -35.831 747 HG13 ILE 96 HG13 ILE 96 0.770 18.014 -36.890 748 HG21 ILE 96 HG21 ILE 96 -2.938 17.816 -36.773 749 HG22 ILE 96 HG22 ILE 96 -2.693 19.082 -38.001 750 HG23 ILE 96 HG23 ILE 96 -3.169 17.451 -38.494 751 HD11 ILE 96 HD11 ILE 96 -1.332 20.222 -36.793 752 HD12 ILE 96 HD12 ILE 96 0.349 20.308 -36.227 753 HD13 ILE 96 HD13 ILE 96 0.007 20.140 -37.965 754 HA PRO 97 HA PRO 97 2.916 14.511 -37.795 755 HB2 PRO 97 HB2 PRO 97 2.847 11.783 -37.972 756 HB3 PRO 97 HB3 PRO 97 2.564 12.657 -36.431 757 HG2 PRO 97 HG2 PRO 97 0.494 11.585 -38.360 758 HG3 PRO 97 HG3 PRO 97 0.570 11.361 -36.579 759 HD2 PRO 97 HD2 PRO 97 -0.983 13.296 -37.704 760 HD3 PRO 97 HD3 PRO 97 -0.096 13.590 -36.180 761 H VAL 98 H VAL 98 4.282 13.208 -39.422 762 HA VAL 98 HA VAL 98 3.354 13.758 -42.122 763 HB VAL 98 HB VAL 98 5.892 12.343 -41.248 764 HG11 VAL 98 HG11 VAL 98 5.391 12.203 -43.686 765 HG12 VAL 98 HG12 VAL 98 5.181 13.967 -43.737 766 HG13 VAL 98 HG13 VAL 98 6.774 13.269 -43.379 767 HG21 VAL 98 HG21 VAL 98 5.753 14.523 -40.095 768 HG22 VAL 98 HG22 VAL 98 6.953 14.594 -41.397 769 HG23 VAL 98 HG23 VAL 98 5.353 15.323 -41.633 770 H VAL 99 H VAL 99 1.473 12.268 -41.433 771 HA VAL 99 HA VAL 99 1.825 9.458 -41.521 772 HB VAL 99 HB VAL 99 0.096 10.998 -40.375 773 HG11 VAL 99 HG11 VAL 99 -0.518 12.266 -42.431 774 HG12 VAL 99 HG12 VAL 99 -1.340 10.815 -43.050 775 HG13 VAL 99 HG13 VAL 99 -1.916 11.587 -41.564 776 HG21 VAL 99 HG21 VAL 99 -0.947 8.580 -41.866 777 HG22 VAL 99 HG22 VAL 99 -0.015 8.593 -40.339 778 HG23 VAL 99 HG23 VAL 99 -1.635 9.325 -40.392 779 H GLU 100 H GLU 100 2.872 10.863 -43.785 780 HA GLU 100 HA GLU 100 1.454 10.811 -46.156 781 HB2 GLU 100 HB2 GLU 100 3.688 11.776 -45.823 782 HB3 GLU 100 HB3 GLU 100 4.389 10.144 -45.641 783 HG2 GLU 100 HG2 GLU 100 3.901 9.541 -47.871 784 HG3 GLU 100 HG3 GLU 100 2.878 10.990 -48.042 785 H VAL 101 H VAL 101 0.991 9.418 -47.711 786 HA VAL 101 HA VAL 101 1.977 6.618 -47.602 787 HB VAL 101 HB VAL 101 -0.906 7.403 -48.154 788 HG11 VAL 101 HG11 VAL 101 -0.114 5.422 -49.408 789 HG12 VAL 101 HG12 VAL 101 0.465 4.690 -47.892 790 HG13 VAL 101 HG13 VAL 101 -1.274 4.950 -48.148 791 HG21 VAL 101 HG21 VAL 101 -0.443 7.631 -45.768 792 HG22 VAL 101 HG22 VAL 101 -1.425 6.177 -46.058 793 HG23 VAL 101 HG23 VAL 101 0.319 6.018 -45.736 794 H ASP 102 H ASP 102 2.591 5.918 -49.607 795 HA ASP 102 HA ASP 102 1.620 7.219 -52.022 796 HB2 ASP 102 HB2 ASP 102 3.396 8.750 -51.191 797 HB3 ASP 102 HB3 ASP 102 4.551 7.418 -51.182 798 H GLU 103 H GLU 103 1.639 4.609 -50.713 799 HA GLU 103 HA GLU 103 2.674 2.998 -52.968 800 HB2 GLU 103 HB2 GLU 103 3.813 1.465 -51.572 801 HB3 GLU 103 HB3 GLU 103 4.429 3.083 -51.203 802 HG2 GLU 103 HG2 GLU 103 2.177 2.068 -49.485 803 HG3 GLU 103 HG3 GLU 103 3.742 1.281 -49.325 804 H LEU 104 H LEU 104 2.178 0.522 -51.788 805 HA LEU 104 HA LEU 104 -0.447 0.045 -52.502 806 HB2 LEU 104 HB2 LEU 104 1.417 -1.445 -50.628 807 HB3 LEU 104 HB3 LEU 104 -0.118 -2.126 -51.215 808 HG LEU 104 HG LEU 104 1.714 -1.129 -53.320 809 HD11 LEU 104 HD11 LEU 104 1.991 -3.780 -51.819 810 HD12 LEU 104 HD12 LEU 104 2.800 -3.371 -53.355 811 HD13 LEU 104 HD13 LEU 104 3.210 -2.487 -51.862 812 HD21 LEU 104 HD21 LEU 104 -0.667 -1.977 -53.557 813 HD22 LEU 104 HD22 LEU 104 0.484 -3.116 -54.347 814 HD23 LEU 104 HD23 LEU 104 -0.179 -3.435 -52.711 815 HA PRO 105 HA PRO 105 -3.339 0.434 -49.136 816 HB2 PRO 105 HB2 PRO 105 -3.566 -2.556 -49.567 817 HB3 PRO 105 HB3 PRO 105 -4.891 -1.364 -49.370 818 HG2 PRO 105 HG2 PRO 105 -4.330 -2.175 -51.834 819 HG3 PRO 105 HG3 PRO 105 -4.419 -0.402 -51.543 820 HD2 PRO 105 HD2 PRO 105 -1.961 -2.166 -51.528 821 HD3 PRO 105 HD3 PRO 105 -2.181 -0.674 -52.473 822 H GLU 106 H GLU 106 -3.838 -0.468 -46.948 823 HA GLU 106 HA GLU 106 -1.345 -0.924 -45.533 824 HB2 GLU 106 HB2 GLU 106 -3.285 0.645 -44.913 825 HB3 GLU 106 HB3 GLU 106 -4.160 -0.792 -44.369 826 HG2 GLU 106 HG2 GLU 106 -2.367 -1.263 -42.721 827 HG3 GLU 106 HG3 GLU 106 -1.436 0.104 -43.344 828 H GLY 107 H GLY 107 -2.750 -3.101 -47.262 829 HA2 GLY 107 HA2 GLY 107 -2.058 -5.352 -45.643 830 HA3 GLY 107 HA3 GLY 107 -3.810 -5.104 -45.569 831 H TYR 108 H TYR 108 -1.648 -4.534 -48.469 832 HA TYR 108 HA TYR 108 -3.324 -5.767 -50.286 833 HB2 TYR 108 HB2 TYR 108 -1.317 -4.160 -50.395 834 HB3 TYR 108 HB3 TYR 108 -0.300 -5.603 -50.365 835 HD1 TYR 108 HD1 TYR 108 -2.878 -3.722 -52.176 836 HD2 TYR 108 HD2 TYR 108 -0.127 -7.016 -52.383 837 HE1 TYR 108 HE1 TYR 108 -2.888 -3.544 -54.608 838 HE2 TYR 108 HE2 TYR 108 -0.369 -7.064 -54.850 839 HH TYR 108 HH TYR 108 -2.261 -4.583 -56.621 840 H ASP 109 H ASP 109 -2.715 -7.595 -51.691 841 HA ASP 109 HA ASP 109 -1.020 -9.689 -50.560 842 HB2 ASP 109 HB2 ASP 109 -3.220 -10.163 -49.531 843 HB3 ASP 109 HB3 ASP 109 -3.987 -10.106 -51.126 844 H ARG 110 H ARG 110 -0.399 -11.231 -52.216 845 HA ARG 110 HA ARG 110 -1.324 -10.688 -54.973 846 HB2 ARG 110 HB2 ARG 110 0.479 -9.074 -54.497 847 HB3 ARG 110 HB3 ARG 110 1.589 -10.411 -54.157 848 HG2 ARG 110 HG2 ARG 110 1.463 -11.205 -56.434 849 HG3 ARG 110 HG3 ARG 110 0.088 -10.136 -56.799 850 HD2 ARG 110 HD2 ARG 110 2.829 -9.134 -55.977 851 HD3 ARG 110 HD3 ARG 110 2.338 -9.376 -57.669 852 HE ARG 110 HE ARG 110 0.331 -7.800 -56.598 853 HH11 ARG 110 HH11 ARG 110 3.839 -7.513 -56.944 854 HH12 ARG 110 HH12 ARG 110 3.802 -5.768 -57.042 855 HH21 ARG 110 HH21 ARG 110 0.315 -5.522 -56.733 856 HH22 ARG 110 HH22 ARG 110 1.815 -4.646 -56.940 857 H SER 111 H SER 111 -0.300 -12.856 -52.548 858 HA SER 111 HA SER 111 -0.305 -15.091 -54.438 859 HB2 SER 111 HB2 SER 111 2.060 -14.317 -54.481 860 HB3 SER 111 HB3 SER 111 2.140 -14.516 -52.717 861 HG SER 111 HG SER 111 2.909 -16.367 -53.842 862 H1 ALA 701 H1 ALA 701 15.491 18.279 -20.967 863 H2 ALA 701 H2 ALA 701 15.953 19.834 -20.694 864 H3 ALA 701 H3 ALA 701 14.435 19.511 -21.250 865 HA ALA 701 HA ALA 701 14.367 20.077 -18.940 866 HB1 ALA 701 HB1 ALA 701 12.698 18.479 -19.823 867 HB2 ALA 701 HB2 ALA 701 13.812 17.134 -19.481 868 HB3 ALA 701 HB3 ALA 701 13.138 18.095 -18.147 869 H ASP 702 H ASP 702 14.697 19.128 -16.700 870 HA ASP 702 HA ASP 702 17.038 17.400 -16.350 871 HB2 ASP 702 HB2 ASP 702 18.075 19.615 -16.646 872 HB3 ASP 702 HB3 ASP 702 17.000 20.298 -15.415 873 H THR 703 H THR 703 16.222 15.979 -14.925 874 HA THR 703 HA THR 703 15.150 16.903 -12.349 875 HB THR 703 HB THR 703 13.151 16.967 -13.814 876 HG1 THR 703 HG1 THR 703 11.974 15.664 -12.409 877 HG21 THR 703 HG21 THR 703 12.246 14.831 -14.647 878 HG22 THR 703 HG22 THR 703 13.815 15.190 -15.408 879 HG23 THR 703 HG23 THR 703 13.720 13.982 -14.114 880 H GLU 704 H GLU 704 14.789 15.137 -10.863 881 HA GLU 704 HA GLU 704 16.904 13.188 -11.030 882 HB2 GLU 704 HB2 GLU 704 16.030 12.439 -8.843 883 HB3 GLU 704 HB3 GLU 704 16.215 14.199 -8.906 884 HG2 GLU 704 HG2 GLU 704 13.792 14.427 -9.396 885 HG3 GLU 704 HG3 GLU 704 13.616 12.665 -9.313 886 H MET 705 H MET 705 13.609 13.142 -12.242 887 HA MET 705 HA MET 705 13.222 10.332 -12.019 888 HB2 MET 705 HB2 MET 705 12.324 12.195 -14.259 889 HB3 MET 705 HB3 MET 705 11.844 10.496 -14.076 890 HG2 MET 705 HG2 MET 705 10.114 11.464 -12.923 891 HG3 MET 705 HG3 MET 705 11.276 11.248 -11.625 892 HE1 MET 705 HE1 MET 705 9.499 12.941 -10.636 893 HE2 MET 705 HE2 MET 705 11.175 12.740 -10.049 894 HE3 MET 705 HE3 MET 705 10.448 14.390 -10.124 895 H GLU 706 H GLU 706 15.022 12.494 -14.152 896 HA GLU 706 HA GLU 706 15.441 10.492 -16.204 897 HB2 GLU 706 HB2 GLU 706 15.006 13.046 -16.433 898 HB3 GLU 706 HB3 GLU 706 16.742 13.224 -16.134 899 HG2 GLU 706 HG2 GLU 706 17.185 11.657 -18.034 900 HG3 GLU 706 HG3 GLU 706 15.434 11.432 -18.228 901 H GLU 707 H GLU 707 16.545 10.374 -13.360 902 HA GLU 707 HA GLU 707 19.368 9.700 -13.999 903 HB2 GLU 707 HB2 GLU 707 18.245 11.068 -11.516 904 HB3 GLU 707 HB3 GLU 707 19.883 10.441 -11.638 905 HG2 GLU 707 HG2 GLU 707 18.694 12.600 -13.426 906 HG3 GLU 707 HG3 GLU 707 19.768 12.881 -12.048 907 H VAL 708 H VAL 708 16.803 8.272 -13.991 908 HA VAL 708 HA VAL 708 15.811 6.414 -13.426 909 HB VAL 708 HB VAL 708 16.962 4.525 -13.495 910 HG11 VAL 708 HG11 VAL 708 18.887 4.832 -14.905 911 HG12 VAL 708 HG12 VAL 708 17.578 5.970 -15.332 912 HG13 VAL 708 HG13 VAL 708 19.011 6.540 -14.428 913 HG21 VAL 708 HG21 VAL 708 19.247 4.109 -12.702 914 HG22 VAL 708 HG22 VAL 708 19.342 5.759 -12.042 915 HG23 VAL 708 HG23 VAL 708 18.195 4.567 -11.364 916 H ASP 709 H ASP 709 16.102 4.430 -11.500 917 HA ASP 709 HA ASP 709 14.818 3.976 -9.734 918 HB2 ASP 709 HB2 ASP 709 15.869 4.614 -7.538 919 HB3 ASP 709 HB3 ASP 709 16.827 3.699 -8.676 Start of MODEL 16 1 H1 SER 2 H1 SER 2 24.143 -6.876 -3.257 2 H2 SER 2 H2 SER 2 23.453 -6.393 -1.841 3 H3 SER 2 H3 SER 2 23.097 -5.603 -3.235 4 HA SER 2 HA SER 2 22.410 -8.383 -2.618 5 HB2 SER 2 HB2 SER 2 20.084 -7.601 -2.583 6 HB3 SER 2 HB3 SER 2 21.050 -6.752 -1.361 7 HG SER 2 HG SER 2 19.751 -5.330 -2.593 8 H GLN 3 H GLN 3 21.039 -9.403 -4.200 9 HA GLN 3 HA GLN 3 21.928 -8.932 -6.901 10 HB2 GLN 3 HB2 GLN 3 21.505 -11.172 -5.817 11 HB3 GLN 3 HB3 GLN 3 19.776 -10.825 -5.877 12 HG2 GLN 3 HG2 GLN 3 20.461 -12.221 -7.788 13 HG3 GLN 3 HG3 GLN 3 19.897 -10.651 -8.356 14 HE21 GLN 3 HE22 GLN 3 21.057 -10.334 -10.212 15 HE22 GLN 3 HE21 GLN 3 22.806 -10.389 -10.310 16 H PHE 4 H PHE 4 20.937 -6.551 -6.584 17 HA PHE 4 HA PHE 4 18.531 -6.481 -8.264 18 HB2 PHE 4 HB2 PHE 4 17.541 -6.576 -6.015 19 HB3 PHE 4 HB3 PHE 4 18.664 -5.356 -5.430 20 HD1 PHE 4 HD2 PHE 4 18.462 -2.928 -6.284 21 HD2 PHE 4 HD1 PHE 4 15.519 -5.968 -7.130 22 HE1 PHE 4 HE2 PHE 4 16.814 -1.193 -6.767 23 HE2 PHE 4 HE1 PHE 4 13.861 -4.208 -7.618 24 HZ PHE 4 HZ PHE 4 14.499 -1.798 -7.424 25 H GLU 5 H GLU 5 20.897 -4.900 -6.159 26 HA GLU 5 HA GLU 5 21.029 -2.365 -7.250 27 HB2 GLU 5 HB2 GLU 5 23.154 -4.244 -6.173 28 HB3 GLU 5 HB3 GLU 5 23.431 -2.539 -6.462 29 HG2 GLU 5 HG2 GLU 5 21.515 -1.960 -4.948 30 HG3 GLU 5 HG3 GLU 5 21.319 -3.676 -4.571 31 H LYS 6 H LYS 6 23.052 -5.293 -8.249 32 HA LYS 6 HA LYS 6 24.611 -3.823 -10.001 33 HB2 LYS 6 HB2 LYS 6 24.996 -5.996 -8.993 34 HB3 LYS 6 HB3 LYS 6 23.797 -6.747 -10.069 35 HG2 LYS 6 HG2 LYS 6 26.049 -7.141 -10.791 36 HG3 LYS 6 HG3 LYS 6 25.179 -6.186 -12.017 37 HD2 LYS 6 HD2 LYS 6 26.809 -4.743 -9.927 38 HD3 LYS 6 HD3 LYS 6 27.682 -5.599 -11.211 39 HE2 LYS 6 HE2 LYS 6 26.422 -4.362 -12.933 40 HE3 LYS 6 HE3 LYS 6 25.544 -3.479 -11.674 41 HZ1 LYS 6 HZ1 LYS 6 27.589 -2.541 -10.947 42 HZ2 LYS 6 HZ2 LYS 6 28.465 -3.418 -12.037 43 HZ3 LYS 6 HZ3 LYS 6 27.429 -2.254 -12.555 44 H GLN 7 H GLN 7 21.633 -5.761 -10.608 45 HA GLN 7 HA GLN 7 21.568 -5.426 -13.433 46 HB2 GLN 7 HB2 GLN 7 19.335 -5.978 -11.458 47 HB3 GLN 7 HB3 GLN 7 19.355 -6.323 -13.212 48 HG2 GLN 7 HG2 GLN 7 21.498 -7.664 -12.789 49 HG3 GLN 7 HG3 GLN 7 21.176 -7.501 -11.049 50 HE21 GLN 7 HE22 GLN 7 19.349 -8.308 -14.061 51 HE22 GLN 7 HE21 GLN 7 18.561 -9.703 -13.365 52 H LYS 8 H LYS 8 20.889 -3.272 -10.781 53 HA LYS 8 HA LYS 8 19.204 -1.455 -12.358 54 HB2 LYS 8 HB2 LYS 8 18.772 -2.054 -10.005 55 HB3 LYS 8 HB3 LYS 8 20.322 -1.348 -9.535 56 HG2 LYS 8 HG2 LYS 8 19.580 0.870 -10.258 57 HG3 LYS 8 HG3 LYS 8 18.065 0.172 -10.893 58 HD2 LYS 8 HD2 LYS 8 17.681 1.065 -8.616 59 HD3 LYS 8 HD3 LYS 8 17.520 -0.697 -8.652 60 HE2 LYS 8 HE2 LYS 8 18.775 -0.038 -6.686 61 HE3 LYS 8 HE3 LYS 8 19.836 -0.916 -7.784 62 HZ1 LYS 8 HZ1 LYS 8 19.686 2.030 -7.658 63 HZ2 LYS 8 HZ2 LYS 8 20.812 1.143 -6.861 64 HZ3 LYS 8 HZ3 LYS 8 20.773 1.149 -8.505 65 H GLU 9 H GLU 9 22.275 -1.100 -10.429 66 HA GLU 9 HA GLU 9 22.913 1.395 -11.668 67 HB2 GLU 9 HB2 GLU 9 25.190 1.045 -10.655 68 HB3 GLU 9 HB3 GLU 9 23.807 1.140 -9.554 69 HG2 GLU 9 HG2 GLU 9 23.904 -1.041 -8.952 70 HG3 GLU 9 HG3 GLU 9 24.565 -1.560 -10.520 71 H GLN 10 H GLN 10 23.628 -1.933 -12.763 72 HA GLN 10 HA GLN 10 25.544 -1.070 -14.724 73 HB2 GLN 10 HB2 GLN 10 24.863 -3.502 -14.164 74 HB3 GLN 10 HB3 GLN 10 23.363 -3.181 -15.053 75 HG2 GLN 10 HG2 GLN 10 24.982 -2.396 -16.975 76 HG3 GLN 10 HG3 GLN 10 26.194 -3.348 -16.104 77 HE21 GLN 10 HE22 GLN 10 23.429 -3.354 -18.188 78 HE22 GLN 10 HE21 GLN 10 23.224 -5.083 -18.338 79 H GLY 11 H GLY 11 21.963 -1.225 -14.766 80 HA2 GLY 11 HA2 GLY 11 21.774 -0.181 -17.468 81 HA3 GLY 11 HA3 GLY 11 20.454 -0.439 -16.313 82 H ASN 12 H ASN 12 22.246 1.250 -14.311 83 HA ASN 12 HA ASN 12 20.831 3.699 -14.586 84 HB2 ASN 12 HB2 ASN 12 23.365 2.864 -13.178 85 HB3 ASN 12 HB3 ASN 12 22.939 4.577 -13.249 86 HD21 ASN 12 HD22 ASN 12 20.817 1.707 -12.695 87 HD22 ASN 12 HD21 ASN 12 20.358 2.199 -11.075 88 H SER 13 H SER 13 23.856 2.554 -16.118 89 HA SER 13 HA SER 13 24.283 5.330 -17.087 90 HB2 SER 13 HB2 SER 13 26.437 4.534 -17.838 91 HB3 SER 13 HB3 SER 13 26.182 4.146 -16.121 92 HG SER 13 HG SER 13 27.019 2.364 -17.289 93 H LEU 14 H LEU 14 23.487 2.019 -18.308 94 HA LEU 14 HA LEU 14 23.666 2.462 -21.064 95 HB2 LEU 14 HB2 LEU 14 21.707 0.854 -19.429 96 HB3 LEU 14 HB3 LEU 14 21.981 0.708 -21.167 97 HG LEU 14 HG LEU 14 23.651 -0.216 -18.884 98 HD11 LEU 14 HD11 LEU 14 23.352 -0.865 -21.798 99 HD12 LEU 14 HD12 LEU 14 24.120 -1.938 -20.580 100 HD13 LEU 14 HD13 LEU 14 22.361 -1.581 -20.484 101 HD21 LEU 14 HD21 LEU 14 25.308 1.404 -19.825 102 HD22 LEU 14 HD22 LEU 14 25.742 -0.262 -20.221 103 HD23 LEU 14 HD23 LEU 14 24.977 0.752 -21.460 104 H PHE 15 H PHE 15 21.014 3.321 -18.773 105 HA PHE 15 HA PHE 15 19.101 4.067 -20.758 106 HB2 PHE 15 HB2 PHE 15 18.265 3.681 -18.623 107 HB3 PHE 15 HB3 PHE 15 19.599 4.528 -17.833 108 HD1 PHE 15 HD1 PHE 15 16.590 5.212 -19.980 109 HD2 PHE 15 HD2 PHE 15 19.377 6.697 -17.061 110 HE1 PHE 15 HE1 PHE 15 15.199 7.242 -19.681 111 HE2 PHE 15 HE2 PHE 15 17.890 8.608 -16.600 112 HZ PHE 15 HZ PHE 15 15.842 8.946 -17.980 113 H LYS 16 H LYS 16 21.869 5.716 -19.302 114 HA LYS 16 HA LYS 16 20.946 8.302 -20.227 115 HB2 LYS 16 HB2 LYS 16 23.648 7.617 -19.056 116 HB3 LYS 16 HB3 LYS 16 22.778 9.180 -19.010 117 HG2 LYS 16 HG2 LYS 16 21.009 8.055 -17.610 118 HG3 LYS 16 HG3 LYS 16 21.993 6.584 -17.648 119 HD2 LYS 16 HD2 LYS 16 22.526 7.611 -15.616 120 HD3 LYS 16 HD3 LYS 16 23.913 7.948 -16.667 121 HE2 LYS 16 HE2 LYS 16 22.915 10.204 -17.169 122 HE3 LYS 16 HE3 LYS 16 21.571 9.811 -16.074 123 HZ1 LYS 16 HZ1 LYS 16 23.248 11.137 -14.992 124 HZ2 LYS 16 HZ2 LYS 16 23.164 9.655 -14.287 125 HZ3 LYS 16 HZ3 LYS 16 24.408 10.017 -15.305 126 H GLN 17 H GLN 17 22.503 5.701 -21.798 127 HA GLN 17 HA GLN 17 24.476 7.336 -23.268 128 HB2 GLN 17 HB2 GLN 17 23.893 4.365 -22.994 129 HB3 GLN 17 HB3 GLN 17 24.982 5.001 -24.229 130 HG2 GLN 17 HG2 GLN 17 26.237 6.235 -22.436 131 HG3 GLN 17 HG3 GLN 17 25.318 5.324 -21.231 132 HE21 GLN 17 HE22 GLN 17 25.245 2.822 -21.803 133 HE22 GLN 17 HE21 GLN 17 26.793 2.108 -22.197 134 H GLY 18 H GLY 18 21.308 5.854 -23.695 135 HA2 GLY 18 HA2 GLY 18 20.357 6.953 -25.915 136 HA3 GLY 18 HA3 GLY 18 21.667 5.899 -26.618 137 H LEU 19 H LEU 19 21.232 3.933 -24.463 138 HA LEU 19 HA LEU 19 19.352 2.452 -26.202 139 HB2 LEU 19 HB2 LEU 19 20.816 0.501 -25.282 140 HB3 LEU 19 HB3 LEU 19 21.202 1.444 -26.700 141 HG LEU 19 HG LEU 19 22.717 2.862 -25.033 142 HD11 LEU 19 HD11 LEU 19 22.399 0.239 -23.518 143 HD12 LEU 19 HD12 LEU 19 23.422 1.625 -23.052 144 HD13 LEU 19 HD13 LEU 19 21.645 1.763 -23.019 145 HD21 LEU 19 HD21 LEU 19 23.603 1.349 -26.775 146 HD22 LEU 19 HD22 LEU 19 24.553 1.233 -25.279 147 HD23 LEU 19 HD23 LEU 19 23.377 -0.038 -25.689 148 H TYR 20 H TYR 20 17.947 3.632 -24.797 149 HA TYR 20 HA TYR 20 17.343 3.260 -22.166 150 HB2 TYR 20 HB2 TYR 20 15.402 3.242 -24.494 151 HB3 TYR 20 HB3 TYR 20 15.071 3.908 -22.909 152 HD1 TYR 20 HD2 TYR 20 17.420 5.489 -22.257 153 HD2 TYR 20 HD1 TYR 20 15.510 4.944 -26.073 154 HE1 TYR 20 HE2 TYR 20 18.380 7.651 -23.052 155 HE2 TYR 20 HE1 TYR 20 16.462 7.091 -26.864 156 HH TYR 20 HH TYR 20 17.745 8.920 -26.332 157 H ARG 21 H ARG 21 16.563 0.964 -24.868 158 HA ARG 21 HA ARG 21 14.881 -0.719 -23.148 159 HB2 ARG 21 HB2 ARG 21 14.414 -0.169 -25.485 160 HB3 ARG 21 HB3 ARG 21 15.969 -0.822 -25.987 161 HG2 ARG 21 HG2 ARG 21 13.908 -2.175 -26.353 162 HG3 ARG 21 HG3 ARG 21 15.316 -3.027 -25.662 163 HD2 ARG 21 HD2 ARG 21 14.294 -3.262 -23.564 164 HD3 ARG 21 HD3 ARG 21 13.126 -1.957 -23.857 165 HE ARG 21 HE ARG 21 12.949 -4.771 -24.657 166 HH11 ARG 21 HH11 ARG 21 11.723 -1.499 -25.205 167 HH12 ARG 21 HH12 ARG 21 10.217 -2.057 -25.901 168 HH21 ARG 21 HH21 ARG 21 10.979 -5.466 -25.570 169 HH22 ARG 21 HH22 ARG 21 9.805 -4.292 -26.115 170 H GLU 22 H GLU 22 18.232 -0.707 -24.466 171 HA GLU 22 HA GLU 22 18.842 -3.365 -23.526 172 HB2 GLU 22 HB2 GLU 22 20.661 -0.968 -23.852 173 HB3 GLU 22 HB3 GLU 22 21.170 -2.654 -23.686 174 HG2 GLU 22 HG2 GLU 22 19.406 -1.560 -25.925 175 HG3 GLU 22 HG3 GLU 22 21.133 -1.914 -26.027 176 H ALA 23 H ALA 23 18.672 -0.140 -22.140 177 HA ALA 23 HA ALA 23 19.860 -0.772 -19.592 178 HB1 ALA 23 HB1 ALA 23 19.717 1.517 -20.628 179 HB2 ALA 23 HB2 ALA 23 17.980 1.530 -20.295 180 HB3 ALA 23 HB3 ALA 23 19.126 1.436 -18.948 181 H VAL 24 H VAL 24 16.472 -0.989 -20.911 182 HA VAL 24 HA VAL 24 15.391 -1.190 -18.282 183 HB VAL 24 HB VAL 24 13.389 -1.440 -19.190 184 HG11 VAL 24 HG11 VAL 24 14.239 0.179 -21.533 185 HG12 VAL 24 HG12 VAL 24 12.934 0.414 -20.383 186 HG13 VAL 24 HG13 VAL 24 14.610 0.764 -19.878 187 HG21 VAL 24 HG21 VAL 24 13.433 -3.258 -20.476 188 HG22 VAL 24 HG22 VAL 24 12.660 -1.934 -21.363 189 HG23 VAL 24 HG23 VAL 24 14.346 -2.429 -21.788 190 H HIS 25 H HIS 25 16.688 -3.059 -20.756 191 HA HIS 25 HA HIS 25 15.643 -5.606 -20.334 192 HB2 HIS 25 HB2 HIS 25 17.566 -4.327 -21.940 193 HB3 HIS 25 HB3 HIS 25 18.465 -5.578 -21.177 194 HD2 HIS 25 HD2 HIS 25 16.846 -4.976 -24.201 195 HE1 HIS 25 HE1 HIS 25 15.404 -8.918 -23.513 196 HE2 HIS 25 HE2 HIS 25 15.693 -7.095 -25.268 197 H CYS 26 H CYS 26 17.481 -3.807 -18.167 198 HA CYS 26 HA CYS 26 18.209 -6.264 -16.635 199 HB2 CYS 26 HB2 CYS 26 19.698 -3.605 -16.726 200 HB3 CYS 26 HB3 CYS 26 20.101 -4.993 -15.691 201 HG CYS 26 HG CYS 26 19.916 -4.866 -18.981 202 H TYR 27 H TYR 27 16.833 -3.054 -16.795 203 HA TYR 27 HA TYR 27 16.036 -2.593 -14.088 204 HB2 TYR 27 HB2 TYR 27 14.838 -2.064 -16.818 205 HB3 TYR 27 HB3 TYR 27 14.144 -1.357 -15.441 206 HD1 TYR 27 HD1 TYR 27 17.574 -1.210 -14.656 207 HD2 TYR 27 HD2 TYR 27 14.622 0.514 -17.270 208 HE1 TYR 27 HE1 TYR 27 18.927 0.856 -14.831 209 HE2 TYR 27 HE2 TYR 27 15.911 2.583 -17.413 210 HH TYR 27 HH TYR 27 19.083 2.946 -15.720 211 H ASP 28 H ASP 28 14.737 -4.622 -16.725 212 HA ASP 28 HA ASP 28 12.140 -4.982 -15.650 213 HB2 ASP 28 HB2 ASP 28 12.860 -5.336 -18.010 214 HB3 ASP 28 HB3 ASP 28 13.730 -6.794 -17.490 215 H GLN 29 H GLN 29 15.257 -6.607 -14.986 216 HA GLN 29 HA GLN 29 13.980 -8.771 -13.578 217 HB2 GLN 29 HB2 GLN 29 16.853 -7.774 -13.593 218 HB3 GLN 29 HB3 GLN 29 16.279 -9.206 -12.717 219 HG2 GLN 29 HG2 GLN 29 16.825 -10.301 -14.603 220 HG3 GLN 29 HG3 GLN 29 15.227 -9.788 -15.131 221 HE21 GLN 29 HE22 GLN 29 15.090 -8.602 -17.008 222 HE22 GLN 29 HE21 GLN 29 16.468 -7.872 -17.813 223 H LEU 30 H LEU 30 14.718 -5.446 -12.756 224 HA LEU 30 HA LEU 30 14.930 -5.772 -9.893 225 HB2 LEU 30 HB2 LEU 30 13.713 -3.471 -11.442 226 HB3 LEU 30 HB3 LEU 30 14.381 -3.409 -9.800 227 HG LEU 30 HG LEU 30 15.803 -3.783 -12.417 228 HD11 LEU 30 HD11 LEU 30 16.155 -1.745 -10.195 229 HD12 LEU 30 HD12 LEU 30 17.065 -1.800 -11.723 230 HD13 LEU 30 HD13 LEU 30 15.318 -1.469 -11.751 231 HD21 LEU 30 HD21 LEU 30 16.855 -5.347 -10.807 232 HD22 LEU 30 HD22 LEU 30 17.929 -3.964 -11.089 233 HD23 LEU 30 HD23 LEU 30 16.958 -4.039 -9.601 234 H ILE 31 H ILE 31 12.266 -5.601 -12.233 235 HA ILE 31 HA ILE 31 10.244 -5.593 -10.123 236 HB ILE 31 HB ILE 31 9.836 -6.210 -13.081 237 HG12 ILE 31 HG12 ILE 31 8.957 -3.597 -12.637 238 HG13 ILE 31 HG13 ILE 31 10.464 -3.641 -11.716 239 HG21 ILE 31 HG21 ILE 31 8.175 -5.059 -10.835 240 HG22 ILE 31 HG22 ILE 31 7.589 -5.367 -12.493 241 HG23 ILE 31 HG23 ILE 31 8.066 -6.749 -11.460 242 HD11 ILE 31 HD11 ILE 31 10.144 -4.461 -14.639 243 HD12 ILE 31 HD12 ILE 31 10.775 -2.900 -14.072 244 HD13 ILE 31 HD13 ILE 31 11.661 -4.414 -13.711 245 H THR 32 H THR 32 11.757 -8.033 -12.329 246 HA THR 32 HA THR 32 9.922 -10.067 -11.425 247 HB THR 32 HB THR 32 12.699 -10.080 -12.673 248 HG1 THR 32 HG1 THR 32 11.019 -9.345 -13.990 249 HG21 THR 32 HG21 THR 32 12.337 -12.454 -13.303 250 HG22 THR 32 HG22 THR 32 12.511 -12.211 -11.558 251 HG23 THR 32 HG23 THR 32 10.889 -12.485 -12.257 252 H ALA 33 H ALA 33 12.869 -8.718 -10.019 253 HA ALA 33 HA ALA 33 13.060 -10.994 -8.155 254 HB1 ALA 33 HB1 ALA 33 14.691 -8.415 -8.361 255 HB2 ALA 33 HB2 ALA 33 15.077 -9.806 -7.335 256 HB3 ALA 33 HB3 ALA 33 15.135 -9.968 -9.108 257 H GLN 34 H GLN 34 11.916 -7.676 -8.324 258 HA GLN 34 HA GLN 34 10.693 -7.984 -5.668 259 HB2 GLN 34 HB2 GLN 34 13.006 -6.584 -6.111 260 HB3 GLN 34 HB3 GLN 34 11.873 -5.326 -6.447 261 HG2 GLN 34 HG2 GLN 34 10.933 -5.588 -4.126 262 HG3 GLN 34 HG3 GLN 34 11.996 -6.997 -3.881 263 HE21 GLN 34 HE22 GLN 34 14.339 -6.387 -4.942 264 HE22 GLN 34 HE21 GLN 34 15.033 -4.871 -4.436 265 HA PRO 35 HA PRO 35 8.091 -6.756 -9.282 266 HB2 PRO 35 HB2 PRO 35 6.043 -8.592 -8.503 267 HB3 PRO 35 HB3 PRO 35 7.266 -8.737 -9.783 268 HG2 PRO 35 HG2 PRO 35 7.184 -10.276 -7.338 269 HG3 PRO 35 HG3 PRO 35 8.440 -10.266 -8.629 270 HD2 PRO 35 HD2 PRO 35 8.609 -9.022 -6.022 271 HD3 PRO 35 HD3 PRO 35 9.851 -9.430 -7.231 272 H GLN 36 H GLN 36 7.785 -6.763 -6.079 273 HA GLN 36 HA GLN 36 5.714 -4.631 -6.247 274 HB2 GLN 36 HB2 GLN 36 4.744 -5.116 -4.254 275 HB3 GLN 36 HB3 GLN 36 4.939 -6.681 -5.053 276 HG2 GLN 36 HG2 GLN 36 7.007 -5.664 -3.152 277 HG3 GLN 36 HG3 GLN 36 5.383 -6.102 -2.545 278 HE21 GLN 36 HE22 GLN 36 6.624 -7.893 -5.310 279 HE22 GLN 36 HE21 GLN 36 7.105 -9.336 -4.436 280 H ASN 37 H ASN 37 8.347 -4.140 -6.817 281 HA ASN 37 HA ASN 37 8.870 -1.950 -4.841 282 HB2 ASN 37 HB2 ASN 37 11.058 -2.675 -4.667 283 HB3 ASN 37 HB3 ASN 37 10.562 -4.108 -5.550 284 HD21 ASN 37 HD22 ASN 37 10.723 -4.124 -7.866 285 HD22 ASN 37 HD21 ASN 37 11.951 -3.144 -8.663 286 HA PRO 38 HA PRO 38 8.015 0.511 -8.171 287 HB2 PRO 38 HB2 PRO 38 8.651 2.847 -7.183 288 HB3 PRO 38 HB3 PRO 38 7.462 1.782 -6.337 289 HG2 PRO 38 HG2 PRO 38 10.393 2.207 -5.621 290 HG3 PRO 38 HG3 PRO 38 8.969 2.210 -4.531 291 HD2 PRO 38 HD2 PRO 38 10.602 0.012 -5.074 292 HD3 PRO 38 HD3 PRO 38 8.902 -0.097 -4.515 293 H VAL 39 H VAL 39 11.463 1.303 -6.961 294 HA VAL 39 HA VAL 39 12.280 2.581 -9.219 295 HB VAL 39 HB VAL 39 14.119 2.464 -8.254 296 HG11 VAL 39 HG11 VAL 39 13.353 0.288 -6.349 297 HG12 VAL 39 HG12 VAL 39 14.705 1.457 -6.270 298 HG13 VAL 39 HG13 VAL 39 13.037 2.050 -6.198 299 HG21 VAL 39 HG21 VAL 39 15.644 0.510 -8.243 300 HG22 VAL 39 HG22 VAL 39 14.312 -0.484 -8.884 301 HG23 VAL 39 HG23 VAL 39 14.906 0.914 -9.811 302 H GLY 40 H GLY 40 11.635 -0.747 -8.815 303 HA2 GLY 40 HA2 GLY 40 12.633 -1.943 -11.249 304 HA3 GLY 40 HA3 GLY 40 11.235 -2.492 -10.413 305 H TYR 41 H TYR 41 9.313 -0.572 -10.721 306 HA TYR 41 HA TYR 41 8.689 -0.480 -13.507 307 HB2 TYR 41 HB2 TYR 41 7.706 0.991 -11.043 308 HB3 TYR 41 HB3 TYR 41 6.855 1.033 -12.565 309 HD1 TYR 41 HD2 TYR 41 5.967 -1.170 -13.540 310 HD2 TYR 41 HD1 TYR 41 7.365 -0.727 -9.517 311 HE1 TYR 41 HE2 TYR 41 4.800 -3.276 -12.921 312 HE2 TYR 41 HE1 TYR 41 6.219 -2.854 -8.873 313 HH TYR 41 HH TYR 41 4.952 -4.621 -9.608 314 H SER 42 H SER 42 10.326 1.713 -11.248 315 HA SER 42 HA SER 42 9.698 4.136 -12.667 316 HB2 SER 42 HB2 SER 42 11.981 3.728 -10.703 317 HB3 SER 42 HB3 SER 42 11.086 5.229 -11.086 318 HG SER 42 HG SER 42 9.934 2.927 -9.919 319 H ASN 43 H ASN 43 12.485 1.896 -12.742 320 HA ASN 43 HA ASN 43 14.132 3.725 -14.306 321 HB2 ASN 43 HB2 ASN 43 14.361 0.769 -13.611 322 HB3 ASN 43 HB3 ASN 43 15.573 1.727 -14.493 323 HD21 ASN 43 HD22 ASN 43 17.115 1.246 -12.843 324 HD22 ASN 43 HD21 ASN 43 17.082 2.142 -11.334 325 H LYS 44 H LYS 44 12.420 0.613 -14.943 326 HA LYS 44 HA LYS 44 12.677 0.436 -17.768 327 HB2 LYS 44 HB2 LYS 44 11.899 -1.299 -16.270 328 HB3 LYS 44 HB3 LYS 44 10.435 -0.367 -15.898 329 HG2 LYS 44 HG2 LYS 44 9.707 -0.517 -18.235 330 HG3 LYS 44 HG3 LYS 44 11.213 -1.349 -18.679 331 HD2 LYS 44 HD2 LYS 44 10.638 -3.197 -17.119 332 HD3 LYS 44 HD3 LYS 44 9.121 -2.371 -16.707 333 HE2 LYS 44 HE2 LYS 44 8.400 -2.515 -19.062 334 HE3 LYS 44 HE3 LYS 44 9.928 -3.302 -19.494 335 HZ1 LYS 44 HZ1 LYS 44 7.914 -4.383 -17.637 336 HZ2 LYS 44 HZ2 LYS 44 8.188 -4.908 -19.169 337 HZ3 LYS 44 HZ3 LYS 44 9.342 -5.106 -18.019 338 H ALA 45 H ALA 45 10.496 2.389 -15.687 339 HA ALA 45 HA ALA 45 8.706 3.109 -17.839 340 HB1 ALA 45 HB1 ALA 45 9.191 4.391 -15.115 341 HB2 ALA 45 HB2 ALA 45 7.849 4.782 -16.216 342 HB3 ALA 45 HB3 ALA 45 7.970 3.163 -15.498 343 H MET 46 H MET 46 11.335 4.967 -16.114 344 HA MET 46 HA MET 46 11.006 7.290 -17.657 345 HB2 MET 46 HB2 MET 46 12.379 7.001 -15.559 346 HB3 MET 46 HB3 MET 46 13.609 6.195 -16.536 347 HG2 MET 46 HG2 MET 46 14.268 8.460 -16.267 348 HG3 MET 46 HG3 MET 46 13.785 8.261 -17.952 349 HE1 MET 46 HE1 MET 46 12.179 9.621 -19.161 350 HE2 MET 46 HE2 MET 46 10.710 8.997 -18.376 351 HE3 MET 46 HE3 MET 46 10.983 10.742 -18.477 352 H ALA 47 H ALA 47 12.705 4.269 -18.362 353 HA ALA 47 HA ALA 47 14.077 5.259 -20.710 354 HB1 ALA 47 HB1 ALA 47 13.354 2.490 -19.692 355 HB2 ALA 47 HB2 ALA 47 14.423 2.799 -21.082 356 HB3 ALA 47 HB3 ALA 47 14.898 3.334 -19.453 357 H LEU 48 H LEU 48 10.921 3.591 -20.097 358 HA LEU 48 HA LEU 48 10.255 3.218 -22.832 359 HB2 LEU 48 HB2 LEU 48 8.609 3.555 -20.310 360 HB3 LEU 48 HB3 LEU 48 7.858 3.307 -21.893 361 HG LEU 48 HG LEU 48 9.921 1.407 -20.716 362 HD11 LEU 48 HD11 LEU 48 7.945 1.461 -19.273 363 HD12 LEU 48 HD12 LEU 48 6.877 1.323 -20.679 364 HD13 LEU 48 HD13 LEU 48 7.939 -0.039 -20.234 365 HD21 LEU 48 HD21 LEU 48 9.665 1.351 -23.184 366 HD22 LEU 48 HD22 LEU 48 9.099 -0.141 -22.409 367 HD23 LEU 48 HD23 LEU 48 7.920 1.068 -22.975 368 H ILE 49 H ILE 49 10.107 6.138 -20.770 369 HA ILE 49 HA ILE 49 8.503 7.645 -22.663 370 HB ILE 49 HB ILE 49 10.365 8.260 -20.342 371 HG12 ILE 49 HG12 ILE 49 8.315 9.607 -19.625 372 HG13 ILE 49 HG13 ILE 49 7.444 8.847 -20.964 373 HG21 ILE 49 HG21 ILE 49 9.240 10.355 -22.232 374 HG22 ILE 49 HG22 ILE 49 10.030 10.679 -20.686 375 HG23 ILE 49 HG23 ILE 49 10.968 9.949 -22.002 376 HD11 ILE 49 HD11 ILE 49 8.748 7.434 -18.617 377 HD12 ILE 49 HD12 ILE 49 7.011 7.637 -18.928 378 HD13 ILE 49 HD13 ILE 49 7.983 6.612 -20.009 379 H LYS 50 H LYS 50 12.040 7.360 -22.067 380 HA LYS 50 HA LYS 50 12.813 8.910 -24.292 381 HB2 LYS 50 HB2 LYS 50 13.965 7.355 -22.152 382 HB3 LYS 50 HB3 LYS 50 14.733 6.903 -23.676 383 HG2 LYS 50 HG2 LYS 50 15.933 8.793 -22.747 384 HG3 LYS 50 HG3 LYS 50 15.046 9.341 -24.190 385 HD2 LYS 50 HD2 LYS 50 14.743 11.000 -22.509 386 HD3 LYS 50 HD3 LYS 50 13.201 10.142 -22.595 387 HE2 LYS 50 HE2 LYS 50 13.658 8.944 -20.576 388 HE3 LYS 50 HE3 LYS 50 15.389 9.292 -20.682 389 HZ1 LYS 50 HZ1 LYS 50 13.291 11.296 -20.161 390 HZ2 LYS 50 HZ2 LYS 50 14.304 10.667 -19.023 391 HZ3 LYS 50 HZ3 LYS 50 14.904 11.595 -20.237 392 H LEU 51 H LEU 51 11.208 5.891 -24.283 393 HA LEU 51 HA LEU 51 12.231 5.170 -26.980 394 HB2 LEU 51 HB2 LEU 51 10.693 3.708 -24.811 395 HB3 LEU 51 HB3 LEU 51 10.904 3.066 -26.443 396 HG LEU 51 HG LEU 51 13.251 3.847 -24.667 397 HD11 LEU 51 HD11 LEU 51 13.469 1.441 -24.173 398 HD12 LEU 51 HD12 LEU 51 11.922 2.073 -23.579 399 HD13 LEU 51 HD13 LEU 51 11.967 1.114 -25.079 400 HD21 LEU 51 HD21 LEU 51 13.777 3.706 -27.061 401 HD22 LEU 51 HD22 LEU 51 14.497 2.347 -26.176 402 HD23 LEU 51 HD23 LEU 51 13.028 2.091 -27.144 403 H GLY 52 H GLY 52 9.787 6.773 -25.235 404 HA2 GLY 52 HA2 GLY 52 7.844 7.733 -25.730 405 HA3 GLY 52 HA3 GLY 52 8.102 7.429 -27.444 406 H GLU 53 H GLU 53 8.284 4.766 -25.260 407 HA GLU 53 HA GLU 53 5.653 3.668 -26.042 408 HB2 GLU 53 HB2 GLU 53 8.075 2.554 -24.518 409 HB3 GLU 53 HB3 GLU 53 6.643 1.589 -24.940 410 HG2 GLU 53 HG2 GLU 53 8.345 3.013 -27.027 411 HG3 GLU 53 HG3 GLU 53 8.713 1.395 -26.457 412 H TYR 54 H TYR 54 5.919 5.952 -24.541 413 HA TYR 54 HA TYR 54 5.231 6.193 -21.990 414 HB2 TYR 54 HB2 TYR 54 3.604 6.736 -24.428 415 HB3 TYR 54 HB3 TYR 54 3.254 7.547 -22.994 416 HD1 TYR 54 HD2 TYR 54 6.417 8.138 -22.506 417 HD2 TYR 54 HD1 TYR 54 3.775 8.449 -25.869 418 HE1 TYR 54 HE2 TYR 54 7.959 9.785 -23.560 419 HE2 TYR 54 HE1 TYR 54 5.417 9.931 -27.033 420 HH TYR 54 HH TYR 54 7.359 11.123 -26.833 421 H THR 55 H THR 55 3.120 4.574 -24.497 422 HA THR 55 HA THR 55 0.759 4.343 -23.030 423 HB THR 55 HB THR 55 1.868 2.160 -24.824 424 HG1 THR 55 HG1 THR 55 0.980 3.380 -26.513 425 HG21 THR 55 HG21 THR 55 -0.272 1.741 -23.611 426 HG22 THR 55 HG22 THR 55 -0.931 3.241 -24.290 427 HG23 THR 55 HG23 THR 55 -0.527 1.874 -25.366 428 H GLN 56 H GLN 56 3.646 2.458 -22.965 429 HA GLN 56 HA GLN 56 2.684 0.498 -20.985 430 HB2 GLN 56 HB2 GLN 56 5.475 1.021 -22.083 431 HB3 GLN 56 HB3 GLN 56 4.931 -0.433 -21.226 432 HG2 GLN 56 HG2 GLN 56 4.017 0.582 -23.960 433 HG3 GLN 56 HG3 GLN 56 5.052 -0.809 -23.652 434 HE21 GLN 56 HE22 GLN 56 1.800 0.498 -23.487 435 HE22 GLN 56 HE21 GLN 56 0.958 -1.026 -23.249 436 H ALA 57 H ALA 57 4.934 3.266 -21.136 437 HA ALA 57 HA ALA 57 5.959 3.152 -18.533 438 HB1 ALA 57 HB1 ALA 57 6.664 4.632 -20.478 439 HB2 ALA 57 HB2 ALA 57 5.239 5.632 -20.151 440 HB3 ALA 57 HB3 ALA 57 6.513 5.485 -18.914 441 H ILE 58 H ILE 58 2.872 4.526 -19.684 442 HA ILE 58 HA ILE 58 2.162 5.960 -17.324 443 HB ILE 58 HB ILE 58 0.469 4.551 -19.411 444 HG12 ILE 58 HG12 ILE 58 0.926 7.532 -19.345 445 HG13 ILE 58 HG13 ILE 58 2.200 6.503 -19.997 446 HG21 ILE 58 HG21 ILE 58 -1.303 6.176 -18.804 447 HG22 ILE 58 HG22 ILE 58 -0.895 5.108 -17.444 448 HG23 ILE 58 HG23 ILE 58 -0.288 6.779 -17.480 449 HD11 ILE 58 HD11 ILE 58 -0.690 6.585 -20.977 450 HD12 ILE 58 HD12 ILE 58 0.767 7.119 -21.856 451 HD13 ILE 58 HD13 ILE 58 0.515 5.400 -21.493 452 H GLN 59 H GLN 59 1.857 2.518 -18.315 453 HA GLN 59 HA GLN 59 0.236 1.733 -16.079 454 HB2 GLN 59 HB2 GLN 59 2.070 0.113 -17.877 455 HB3 GLN 59 HB3 GLN 59 0.760 -0.480 -16.833 456 HG2 GLN 59 HG2 GLN 59 0.592 1.127 -19.396 457 HG3 GLN 59 HG3 GLN 59 -0.113 -0.452 -19.016 458 HE21 GLN 59 HE22 GLN 59 -0.894 2.685 -19.535 459 HE22 GLN 59 HE21 GLN 59 -2.299 2.833 -18.485 460 H MET 60 H MET 60 3.730 1.919 -16.784 461 HA MET 60 HA MET 60 4.605 0.433 -14.457 462 HB2 MET 60 HB2 MET 60 6.053 2.573 -16.055 463 HB3 MET 60 HB3 MET 60 6.789 1.433 -14.918 464 HG2 MET 60 HG2 MET 60 5.506 0.771 -17.582 465 HG3 MET 60 HG3 MET 60 7.219 0.770 -17.195 466 HE1 MET 60 HE1 MET 60 3.801 -0.909 -15.923 467 HE2 MET 60 HE2 MET 60 4.137 -1.106 -17.655 468 HE3 MET 60 HE3 MET 60 4.172 -2.525 -16.574 469 H CYS 61 H CYS 61 4.124 3.959 -15.096 470 HA CYS 61 HA CYS 61 5.440 4.799 -12.699 471 HB2 CYS 61 HB2 CYS 61 3.420 6.199 -14.472 472 HB3 CYS 61 HB3 CYS 61 4.350 6.951 -13.151 473 HG CYS 61 HG CYS 61 5.493 5.306 -15.771 474 H GLN 62 H GLN 62 1.904 4.493 -13.499 475 HA GLN 62 HA GLN 62 1.027 5.041 -10.872 476 HB2 GLN 62 HB2 GLN 62 -1.107 4.074 -11.594 477 HB3 GLN 62 HB3 GLN 62 -0.418 5.187 -12.787 478 HG2 GLN 62 HG2 GLN 62 -0.824 3.579 -14.284 479 HG3 GLN 62 HG3 GLN 62 0.630 2.798 -13.642 480 HE21 GLN 62 HE22 GLN 62 -0.721 2.147 -11.005 481 HE22 GLN 62 HE21 GLN 62 -1.741 0.778 -11.390 482 H GLN 63 H GLN 63 2.170 1.889 -12.202 483 HA GLN 63 HA GLN 63 1.292 0.306 -9.926 484 HB2 GLN 63 HB2 GLN 63 2.902 0.026 -12.378 485 HB3 GLN 63 HB3 GLN 63 3.685 -0.743 -11.000 486 HG2 GLN 63 HG2 GLN 63 2.226 -2.270 -12.268 487 HG3 GLN 63 HG3 GLN 63 1.757 -2.129 -10.557 488 HE21 GLN 63 HE22 GLN 63 0.997 -0.745 -13.816 489 HE22 GLN 63 HE21 GLN 63 -0.716 -0.574 -13.510 490 H GLY 64 H GLY 64 4.376 2.096 -10.645 491 HA2 GLY 64 HA2 GLY 64 5.855 1.293 -8.485 492 HA3 GLY 64 HA3 GLY 64 5.846 2.945 -9.114 493 H LEU 65 H LEU 65 3.009 3.476 -8.440 494 HA LEU 65 HA LEU 65 3.457 4.496 -5.799 495 HB2 LEU 65 HB2 LEU 65 0.987 4.382 -7.577 496 HB3 LEU 65 HB3 LEU 65 1.081 5.329 -6.071 497 HG LEU 65 HG LEU 65 3.099 5.639 -8.304 498 HD11 LEU 65 HD11 LEU 65 1.843 7.449 -9.205 499 HD12 LEU 65 HD12 LEU 65 0.720 6.090 -9.058 500 HD13 LEU 65 HD13 LEU 65 0.675 7.405 -7.858 501 HD21 LEU 65 HD21 LEU 65 3.897 7.437 -7.072 502 HD22 LEU 65 HD22 LEU 65 2.298 7.810 -6.375 503 HD23 LEU 65 HD23 LEU 65 3.276 6.477 -5.736 504 H ARG 66 H ARG 66 2.530 1.389 -6.712 505 HA ARG 66 HA ARG 66 0.661 0.850 -4.519 506 HB2 ARG 66 HB2 ARG 66 2.215 -0.785 -6.576 507 HB3 ARG 66 HB3 ARG 66 0.997 -1.487 -5.535 508 HG2 ARG 66 HG2 ARG 66 -0.699 0.099 -6.479 509 HG3 ARG 66 HG3 ARG 66 0.540 0.756 -7.560 510 HD2 ARG 66 HD2 ARG 66 -0.691 -0.883 -8.787 511 HD3 ARG 66 HD3 ARG 66 0.941 -1.529 -8.466 512 HE ARG 66 HE ARG 66 -0.505 -2.522 -6.374 513 HH11 ARG 66 HH11 ARG 66 -1.076 -2.548 -9.869 514 HH12 ARG 66 HH12 ARG 66 -1.932 -4.070 -9.832 515 HH21 ARG 66 HH21 ARG 66 -1.622 -4.513 -6.362 516 HH22 ARG 66 HH22 ARG 66 -2.243 -5.171 -7.857 517 H TYR 67 H TYR 67 3.907 1.198 -5.176 518 HA TYR 67 HA TYR 67 4.893 -0.381 -2.859 519 HB2 TYR 67 HB2 TYR 67 6.248 0.329 -5.476 520 HB3 TYR 67 HB3 TYR 67 6.811 -0.859 -4.304 521 HD1 TYR 67 HD1 TYR 67 4.648 -2.565 -3.662 522 HD2 TYR 67 HD2 TYR 67 5.283 -0.496 -7.374 523 HE1 TYR 67 HE1 TYR 67 3.216 -4.193 -4.781 524 HE2 TYR 67 HE2 TYR 67 3.749 -2.032 -8.510 525 HH TYR 67 HH TYR 67 2.209 -4.818 -6.793 526 H THR 68 H THR 68 4.076 2.534 -2.794 527 HA THR 68 HA THR 68 6.725 3.591 -1.939 528 HB THR 68 HB THR 68 5.930 5.861 -2.613 529 HG1 THR 68 HG1 THR 68 3.721 5.427 -2.771 530 HG21 THR 68 HG21 THR 68 6.292 5.521 -5.055 531 HG22 THR 68 HG22 THR 68 7.502 4.718 -4.035 532 HG23 THR 68 HG23 THR 68 6.217 3.756 -4.786 533 H SER 69 H SER 69 4.466 2.208 -0.520 534 HA SER 69 HA SER 69 3.079 4.065 1.145 535 HB2 SER 69 HB2 SER 69 3.892 1.157 1.552 536 HB3 SER 69 HB3 SER 69 2.747 2.055 2.565 537 HG SER 69 HG SER 69 1.468 2.356 0.684 538 H THR 70 H THR 70 6.313 3.884 0.977 539 HA THR 70 HA THR 70 6.681 4.541 3.854 540 HB THR 70 HB THR 70 7.278 2.225 3.738 541 HG1 THR 70 HG1 THR 70 9.474 2.400 4.253 542 HG21 THR 70 HG21 THR 70 8.938 2.992 1.305 543 HG22 THR 70 HG22 THR 70 9.089 1.442 2.162 544 HG23 THR 70 HG23 THR 70 7.563 1.867 1.366 545 H ALA 71 H ALA 71 8.659 5.719 4.308 546 HA ALA 71 HA ALA 71 8.993 7.814 2.356 547 HB1 ALA 71 HB1 ALA 71 10.305 7.363 5.062 548 HB2 ALA 71 HB2 ALA 71 10.309 8.881 4.126 549 HB3 ALA 71 HB3 ALA 71 8.786 8.240 4.771 550 H GLU 72 H GLU 72 10.710 4.822 2.706 551 HA GLU 72 HA GLU 72 13.241 5.884 1.735 552 HB2 GLU 72 HB2 GLU 72 13.695 3.498 1.195 553 HB3 GLU 72 HB3 GLU 72 13.177 3.739 2.877 554 HG2 GLU 72 HG2 GLU 72 10.860 3.110 2.186 555 HG3 GLU 72 HG3 GLU 72 11.467 2.736 0.571 556 H HIS 73 H HIS 73 10.125 5.411 0.419 557 HA HIS 73 HA HIS 73 11.198 5.274 -2.347 558 HB2 HIS 73 HB2 HIS 73 8.697 4.041 -1.155 559 HB3 HIS 73 HB3 HIS 73 9.018 4.145 -2.891 560 HD2 HIS 73 HD2 HIS 73 12.329 3.442 -1.827 561 HE1 HIS 73 HE1 HIS 73 10.596 -0.436 -1.945 562 HE2 HIS 73 HE2 HIS 73 12.788 0.865 -1.872 563 H VAL 74 H VAL 74 10.249 7.562 -0.370 564 HA VAL 74 HA VAL 74 8.027 8.781 -1.752 565 HB VAL 74 HB VAL 74 8.671 9.356 0.539 566 HG11 VAL 74 HG11 VAL 74 10.649 10.649 1.058 567 HG12 VAL 74 HG12 VAL 74 11.173 9.181 0.207 568 HG13 VAL 74 HG13 VAL 74 11.115 10.737 -0.651 569 HG21 VAL 74 HG21 VAL 74 9.064 11.667 -1.405 570 HG22 VAL 74 HG22 VAL 74 7.486 11.001 -0.917 571 HG23 VAL 74 HG23 VAL 74 8.528 11.806 0.290 572 H ALA 75 H ALA 75 11.500 8.724 -2.161 573 HA ALA 75 HA ALA 75 12.034 10.871 -3.895 574 HB1 ALA 75 HB1 ALA 75 13.031 7.987 -4.024 575 HB2 ALA 75 HB2 ALA 75 13.865 9.407 -4.672 576 HB3 ALA 75 HB3 ALA 75 13.661 9.234 -2.899 577 H ILE 76 H ILE 76 10.970 7.614 -4.480 578 HA ILE 76 HA ILE 76 10.842 7.532 -7.330 579 HB ILE 76 HB ILE 76 10.088 6.063 -4.816 580 HG12 ILE 76 HG12 ILE 76 12.415 6.163 -6.159 581 HG13 ILE 76 HG13 ILE 76 11.850 4.843 -5.179 582 HG21 ILE 76 HG21 ILE 76 9.212 5.130 -7.550 583 HG22 ILE 76 HG22 ILE 76 9.208 4.210 -5.987 584 HG23 ILE 76 HG23 ILE 76 8.172 5.614 -6.175 585 HD11 ILE 76 HD11 ILE 76 12.719 4.321 -7.572 586 HD12 ILE 76 HD12 ILE 76 11.018 3.799 -7.363 587 HD13 ILE 76 HD13 ILE 76 11.389 5.352 -8.171 588 H ARG 77 H ARG 77 8.545 7.975 -4.660 589 HA ARG 77 HA ARG 77 6.130 7.778 -6.119 590 HB2 ARG 77 HB2 ARG 77 6.451 7.939 -3.583 591 HB3 ARG 77 HB3 ARG 77 6.613 9.695 -3.817 592 HG2 ARG 77 HG2 ARG 77 4.364 9.525 -5.110 593 HG3 ARG 77 HG3 ARG 77 4.217 7.918 -4.353 594 HD2 ARG 77 HD2 ARG 77 4.586 8.956 -2.132 595 HD3 ARG 77 HD3 ARG 77 4.681 10.551 -2.917 596 HE ARG 77 HE ARG 77 2.233 9.362 -3.689 597 HH11 ARG 77 HH11 ARG 77 3.768 10.564 -0.735 598 HH12 ARG 77 HH12 ARG 77 2.251 10.992 0.017 599 HH21 ARG 77 HH21 ARG 77 0.265 9.922 -2.671 600 HH22 ARG 77 HH22 ARG 77 0.278 10.634 -1.076 601 H SER 78 H SER 78 8.422 10.368 -5.739 602 HA SER 78 HA SER 78 6.922 12.489 -6.973 603 HB2 SER 78 HB2 SER 78 9.069 12.623 -5.536 604 HB3 SER 78 HB3 SER 78 9.931 12.002 -6.932 605 HG SER 78 HG SER 78 8.420 14.409 -6.803 606 H LYS 79 H LYS 79 8.878 9.787 -8.284 607 HA LYS 79 HA LYS 79 9.050 11.015 -10.925 608 HB2 LYS 79 HB2 LYS 79 9.742 8.222 -9.889 609 HB3 LYS 79 HB3 LYS 79 10.229 8.909 -11.447 610 HG2 LYS 79 HG2 LYS 79 11.331 10.804 -10.153 611 HG3 LYS 79 HG3 LYS 79 10.982 9.906 -8.665 612 HD2 LYS 79 HD2 LYS 79 12.300 7.981 -9.551 613 HD3 LYS 79 HD3 LYS 79 12.714 8.964 -10.986 614 HE2 LYS 79 HE2 LYS 79 13.583 10.737 -9.430 615 HE3 LYS 79 HE3 LYS 79 13.335 9.603 -8.078 616 HZ1 LYS 79 HZ1 LYS 79 15.590 9.525 -8.851 617 HZ2 LYS 79 HZ2 LYS 79 14.852 8.098 -9.212 618 HZ3 LYS 79 HZ3 LYS 79 15.118 9.207 -10.391 619 H LEU 80 H LEU 80 7.199 8.449 -9.294 620 HA LEU 80 HA LEU 80 5.957 7.341 -11.609 621 HB2 LEU 80 HB2 LEU 80 5.307 7.512 -8.664 622 HB3 LEU 80 HB3 LEU 80 4.242 6.669 -9.779 623 HG LEU 80 HG LEU 80 5.587 4.851 -9.939 624 HD11 LEU 80 HD11 LEU 80 8.155 6.389 -9.699 625 HD12 LEU 80 HD12 LEU 80 7.892 4.664 -10.073 626 HD13 LEU 80 HD13 LEU 80 7.360 5.882 -11.226 627 HD21 LEU 80 HD21 LEU 80 5.302 5.256 -7.532 628 HD22 LEU 80 HD22 LEU 80 6.864 4.457 -7.860 629 HD23 LEU 80 HD23 LEU 80 6.794 6.209 -7.519 630 H GLN 81 H GLN 81 5.519 10.422 -10.188 631 HA GLN 81 HA GLN 81 2.795 10.798 -11.239 632 HB2 GLN 81 HB2 GLN 81 4.749 11.770 -9.200 633 HB3 GLN 81 HB3 GLN 81 3.776 13.074 -9.875 634 HG2 GLN 81 HG2 GLN 81 3.065 11.897 -7.740 635 HG3 GLN 81 HG3 GLN 81 1.812 12.208 -9.006 636 HE21 GLN 81 HE22 GLN 81 4.102 9.719 -7.860 637 HE22 GLN 81 HE21 GLN 81 3.027 8.365 -8.161 638 H TYR 82 H TYR 82 6.086 11.367 -12.137 639 HA TYR 82 HA TYR 82 5.370 13.878 -13.579 640 HB2 TYR 82 HB2 TYR 82 7.393 14.172 -12.491 641 HB3 TYR 82 HB3 TYR 82 7.894 12.497 -12.739 642 HD1 TYR 82 HD2 TYR 82 7.454 15.747 -14.549 643 HD2 TYR 82 HD1 TYR 82 9.126 11.801 -14.595 644 HE1 TYR 82 HE2 TYR 82 8.958 16.411 -16.420 645 HE2 TYR 82 HE1 TYR 82 10.710 12.469 -16.390 646 HH TYR 82 HH TYR 82 11.352 14.140 -17.826 647 H ARG 83 H ARG 83 6.960 10.690 -14.357 648 HA ARG 83 HA ARG 83 6.748 11.271 -17.200 649 HB2 ARG 83 HB2 ARG 83 6.965 8.506 -16.058 650 HB3 ARG 83 HB3 ARG 83 7.502 9.126 -17.627 651 HG2 ARG 83 HG2 ARG 83 9.469 8.770 -16.480 652 HG3 ARG 83 HG3 ARG 83 9.217 10.506 -16.246 653 HD2 ARG 83 HD2 ARG 83 8.350 10.065 -13.972 654 HD3 ARG 83 HD3 ARG 83 8.351 8.319 -14.273 655 HE ARG 83 HE ARG 83 10.749 10.099 -13.976 656 HH11 ARG 83 HH11 ARG 83 9.327 6.873 -14.012 657 HH12 ARG 83 HH12 ARG 83 10.835 6.085 -13.588 658 HH21 ARG 83 HH21 ARG 83 12.680 9.059 -13.388 659 HH22 ARG 83 HH22 ARG 83 12.700 7.331 -13.133 660 H LEU 84 H LEU 84 4.720 10.104 -14.717 661 HA LEU 84 HA LEU 84 2.781 8.671 -16.281 662 HB2 LEU 84 HB2 LEU 84 3.122 8.405 -13.851 663 HB3 LEU 84 HB3 LEU 84 2.768 10.063 -13.560 664 HG LEU 84 HG LEU 84 0.433 9.792 -14.292 665 HD11 LEU 84 HD11 LEU 84 1.188 6.862 -14.754 666 HD12 LEU 84 HD12 LEU 84 -0.455 7.540 -14.849 667 HD13 LEU 84 HD13 LEU 84 0.770 8.031 -16.020 668 HD21 LEU 84 HD21 LEU 84 1.289 7.630 -12.330 669 HD22 LEU 84 HD22 LEU 84 1.176 9.361 -11.953 670 HD23 LEU 84 HD23 LEU 84 -0.288 8.446 -12.397 671 H GLU 85 H GLU 85 3.561 11.994 -15.790 672 HA GLU 85 HA GLU 85 0.969 12.867 -16.955 673 HB2 GLU 85 HB2 GLU 85 3.009 14.318 -15.235 674 HB3 GLU 85 HB3 GLU 85 1.555 15.073 -15.950 675 HG2 GLU 85 HG2 GLU 85 0.197 13.252 -14.859 676 HG3 GLU 85 HG3 GLU 85 1.625 12.749 -13.978 677 H LEU 86 H LEU 86 3.913 12.019 -18.092 678 HA LEU 86 HA LEU 86 3.727 14.153 -20.173 679 HB2 LEU 86 HB2 LEU 86 6.015 14.238 -20.388 680 HB3 LEU 86 HB3 LEU 86 5.825 13.980 -18.643 681 HG LEU 86 HG LEU 86 6.057 11.424 -19.314 682 HD11 LEU 86 HD11 LEU 86 7.585 12.851 -21.551 683 HD12 LEU 86 HD12 LEU 86 7.519 11.093 -21.262 684 HD13 LEU 86 HD13 LEU 86 6.089 11.963 -21.829 685 HD21 LEU 86 HD21 LEU 86 7.625 12.900 -17.930 686 HD22 LEU 86 HD22 LEU 86 8.305 11.474 -18.701 687 HD23 LEU 86 HD23 LEU 86 8.574 13.094 -19.417 688 H ALA 87 H ALA 87 4.305 10.652 -19.505 689 HA ALA 87 HA ALA 87 4.591 9.725 -22.072 690 HB1 ALA 87 HB1 ALA 87 3.307 8.525 -19.570 691 HB2 ALA 87 HB2 ALA 87 3.826 7.578 -20.977 692 HB3 ALA 87 HB3 ALA 87 5.028 8.464 -20.016 693 H GLN 88 H GLN 88 1.537 9.548 -20.058 694 HA GLN 88 HA GLN 88 -0.088 8.878 -22.256 695 HB2 GLN 88 HB2 GLN 88 -1.966 9.595 -20.911 696 HB3 GLN 88 HB3 GLN 88 -0.903 8.412 -20.111 697 HG2 GLN 88 HG2 GLN 88 0.119 10.197 -18.783 698 HG3 GLN 88 HG3 GLN 88 -0.976 11.390 -19.506 699 HE21 GLN 88 HE22 GLN 88 -0.560 9.542 -16.796 700 HE22 GLN 88 HE21 GLN 88 -2.223 9.245 -16.332 701 H GLY 89 H GLY 89 1.164 11.951 -21.259 702 HA2 GLY 89 HA2 GLY 89 -0.771 13.566 -22.728 703 HA3 GLY 89 HA3 GLY 89 0.729 14.105 -21.944 704 H ALA 90 H ALA 90 1.467 11.408 -23.724 705 HA ALA 90 HA ALA 90 1.970 12.817 -26.284 706 HB1 ALA 90 HB1 ALA 90 3.890 11.054 -24.742 707 HB2 ALA 90 HB2 ALA 90 4.173 11.770 -26.352 708 HB3 ALA 90 HB3 ALA 90 3.998 12.818 -24.924 709 H VAL 91 H VAL 91 0.281 10.443 -24.800 710 HA VAL 91 HA VAL 91 0.601 8.330 -26.916 711 HB VAL 91 HB VAL 91 -0.199 8.328 -24.034 712 HG11 VAL 91 HG11 VAL 91 -0.164 5.963 -25.967 713 HG12 VAL 91 HG12 VAL 91 0.049 5.821 -24.227 714 HG13 VAL 91 HG13 VAL 91 -1.511 6.450 -24.878 715 HG21 VAL 91 HG21 VAL 91 2.141 8.451 -24.692 716 HG22 VAL 91 HG22 VAL 91 1.650 6.950 -23.821 717 HG23 VAL 91 HG23 VAL 91 1.924 6.924 -25.605 718 H GLY 92 H GLY 92 -1.563 10.105 -24.816 719 HA2 GLY 92 HA2 GLY 92 -3.931 9.461 -26.481 720 HA3 GLY 92 HA3 GLY 92 -3.887 8.911 -24.792 721 H SER 93 H SER 93 -2.381 11.964 -25.642 722 HA SER 93 HA SER 93 -3.895 13.514 -23.821 723 HB2 SER 93 HB2 SER 93 -1.626 14.055 -24.729 724 HB3 SER 93 HB3 SER 93 -2.382 14.473 -26.282 725 HG SER 93 HG SER 93 -2.072 16.279 -24.891 726 H VAL 94 H VAL 94 -5.147 15.535 -24.505 727 HA VAL 94 HA VAL 94 -7.213 16.242 -25.103 728 HB VAL 94 HB VAL 94 -6.242 15.447 -27.864 729 HG11 VAL 94 HG11 VAL 94 -8.263 17.526 -26.893 730 HG12 VAL 94 HG12 VAL 94 -7.714 17.337 -28.573 731 HG13 VAL 94 HG13 VAL 94 -8.653 16.050 -27.794 732 HG21 VAL 94 HG21 VAL 94 -5.387 17.783 -27.914 733 HG22 VAL 94 HG22 VAL 94 -5.876 17.973 -26.207 734 HG23 VAL 94 HG23 VAL 94 -4.601 16.820 -26.651 735 H GLN 95 H GLN 95 -8.238 14.671 -23.883 736 HA GLN 95 HA GLN 95 -9.464 12.447 -25.425 737 HB2 GLN 95 HB2 GLN 95 -9.239 11.083 -23.379 738 HB3 GLN 95 HB3 GLN 95 -7.672 11.695 -23.955 739 HG2 GLN 95 HG2 GLN 95 -8.096 13.672 -22.275 740 HG3 GLN 95 HG3 GLN 95 -9.281 12.583 -21.546 741 HE21 GLN 95 HE22 GLN 95 -5.865 13.209 -22.183 742 HE22 GLN 95 HE21 GLN 95 -5.236 11.975 -21.112 743 H ILE 96 H ILE 96 -10.220 15.322 -24.364 744 HA ILE 96 HA ILE 96 -12.973 14.539 -23.615 745 HB ILE 96 HB ILE 96 -13.044 16.409 -21.981 746 HG12 ILE 96 HG12 ILE 96 -10.018 16.488 -22.380 747 HG13 ILE 96 HG13 ILE 96 -11.158 17.717 -22.948 748 HG21 ILE 96 HG21 ILE 96 -10.866 14.384 -21.341 749 HG22 ILE 96 HG22 ILE 96 -11.925 15.233 -20.191 750 HG23 ILE 96 HG23 ILE 96 -12.611 14.041 -21.303 751 HD11 ILE 96 HD11 ILE 96 -10.655 16.947 -20.044 752 HD12 ILE 96 HD12 ILE 96 -10.154 18.446 -20.851 753 HD13 ILE 96 HD13 ILE 96 -11.881 18.110 -20.597 754 HA PRO 97 HA PRO 97 -12.528 18.255 -26.603 755 HB2 PRO 97 HB2 PRO 97 -12.314 17.262 -29.111 756 HB3 PRO 97 HB3 PRO 97 -10.879 17.412 -28.039 757 HG2 PRO 97 HG2 PRO 97 -12.609 14.957 -28.478 758 HG3 PRO 97 HG3 PRO 97 -10.825 15.084 -28.637 759 HD2 PRO 97 HD2 PRO 97 -12.003 14.211 -26.350 760 HD3 PRO 97 HD3 PRO 97 -10.538 15.255 -26.314 761 H VAL 98 H VAL 98 -14.057 18.553 -28.707 762 HA VAL 98 HA VAL 98 -16.487 16.895 -28.386 763 HB VAL 98 HB VAL 98 -16.601 19.901 -28.764 764 HG11 VAL 98 HG11 VAL 98 -18.613 18.619 -29.475 765 HG12 VAL 98 HG12 VAL 98 -18.666 17.830 -27.880 766 HG13 VAL 98 HG13 VAL 98 -18.944 19.578 -28.021 767 HG21 VAL 98 HG21 VAL 98 -17.280 20.007 -26.367 768 HG22 VAL 98 HG22 VAL 98 -16.858 18.291 -26.183 769 HG23 VAL 98 HG23 VAL 98 -15.593 19.488 -26.562 770 H VAL 99 H VAL 99 -14.598 16.343 -30.086 771 HA VAL 99 HA VAL 99 -14.901 17.507 -32.674 772 HB VAL 99 HB VAL 99 -12.861 16.461 -31.542 773 HG11 VAL 99 HG11 VAL 99 -14.163 13.822 -32.325 774 HG12 VAL 99 HG12 VAL 99 -12.567 14.066 -31.590 775 HG13 VAL 99 HG13 VAL 99 -14.035 14.447 -30.667 776 HG21 VAL 99 HG21 VAL 99 -13.538 15.323 -34.262 777 HG22 VAL 99 HG22 VAL 99 -12.942 16.971 -33.919 778 HG23 VAL 99 HG23 VAL 99 -11.918 15.558 -33.550 779 H GLU 100 H GLU 100 -17.291 16.508 -31.473 780 HA GLU 100 HA GLU 100 -18.225 14.028 -32.307 781 HB2 GLU 100 HB2 GLU 100 -19.299 15.549 -30.680 782 HB3 GLU 100 HB3 GLU 100 -19.746 16.660 -32.012 783 HG2 GLU 100 HG2 GLU 100 -21.173 15.052 -33.018 784 HG3 GLU 100 HG3 GLU 100 -20.528 13.799 -31.935 785 H VAL 101 H VAL 101 -19.214 13.210 -34.023 786 HA VAL 101 HA VAL 101 -19.992 14.899 -36.338 787 HB VAL 101 HB VAL 101 -18.408 12.312 -36.551 788 HG11 VAL 101 HG11 VAL 101 -19.330 14.318 -38.654 789 HG12 VAL 101 HG12 VAL 101 -18.335 12.882 -38.963 790 HG13 VAL 101 HG13 VAL 101 -20.004 12.685 -38.399 791 HG21 VAL 101 HG21 VAL 101 -17.540 15.187 -37.066 792 HG22 VAL 101 HG22 VAL 101 -16.939 14.092 -35.795 793 HG23 VAL 101 HG23 VAL 101 -16.604 13.732 -37.505 794 H ASP 102 H ASP 102 -21.967 14.280 -37.102 795 HA ASP 102 HA ASP 102 -23.000 11.605 -36.574 796 HB2 ASP 102 HB2 ASP 102 -23.340 12.873 -34.433 797 HB3 ASP 102 HB3 ASP 102 -24.277 14.082 -35.308 798 H GLU 103 H GLU 103 -22.357 13.402 -38.770 799 HA GLU 103 HA GLU 103 -23.197 14.418 -40.664 800 HB2 GLU 103 HB2 GLU 103 -24.181 12.887 -42.136 801 HB3 GLU 103 HB3 GLU 103 -22.981 12.052 -41.183 802 HG2 GLU 103 HG2 GLU 103 -25.920 11.954 -40.408 803 HG3 GLU 103 HG3 GLU 103 -25.294 10.947 -41.694 804 H LEU 104 H LEU 104 -25.671 13.821 -41.958 805 HA LEU 104 HA LEU 104 -27.079 16.126 -41.506 806 HB2 LEU 104 HB2 LEU 104 -27.763 13.456 -42.755 807 HB3 LEU 104 HB3 LEU 104 -28.965 14.737 -42.677 808 HG LEU 104 HG LEU 104 -26.303 15.416 -43.851 809 HD11 LEU 104 HD11 LEU 104 -28.638 14.073 -45.282 810 HD12 LEU 104 HD12 LEU 104 -27.205 14.800 -46.064 811 HD13 LEU 104 HD13 LEU 104 -27.029 13.371 -45.018 812 HD21 LEU 104 HD21 LEU 104 -27.925 16.926 -45.160 813 HD22 LEU 104 HD22 LEU 104 -29.231 16.302 -44.120 814 HD23 LEU 104 HD23 LEU 104 -27.896 17.228 -43.411 815 HA PRO 105 HA PRO 105 -29.954 16.226 -38.265 816 HB2 PRO 105 HB2 PRO 105 -32.045 16.459 -40.437 817 HB3 PRO 105 HB3 PRO 105 -31.804 17.529 -39.017 818 HG2 PRO 105 HG2 PRO 105 -30.945 18.337 -41.419 819 HG3 PRO 105 HG3 PRO 105 -29.820 18.470 -40.012 820 HD2 PRO 105 HD2 PRO 105 -29.984 16.271 -42.094 821 HD3 PRO 105 HD3 PRO 105 -28.541 17.136 -41.535 822 H GLU 106 H GLU 106 -32.677 15.757 -38.219 823 HA GLU 106 HA GLU 106 -32.966 12.816 -38.544 824 HB2 GLU 106 HB2 GLU 106 -32.713 13.669 -36.167 825 HB3 GLU 106 HB3 GLU 106 -34.235 14.543 -36.375 826 HG2 GLU 106 HG2 GLU 106 -35.403 12.391 -36.766 827 HG3 GLU 106 HG3 GLU 106 -33.853 11.535 -36.695 828 H GLY 107 H GLY 107 -33.543 15.199 -40.314 829 HA2 GLY 107 HA2 GLY 107 -36.434 14.627 -40.791 830 HA3 GLY 107 HA3 GLY 107 -35.837 16.294 -40.732 831 H TYR 108 H TYR 108 -33.163 15.333 -42.112 832 HA TYR 108 HA TYR 108 -33.793 15.545 -44.883 833 HB2 TYR 108 HB2 TYR 108 -31.583 15.344 -45.113 834 HB3 TYR 108 HB3 TYR 108 -31.656 15.868 -43.422 835 HD1 TYR 108 HD2 TYR 108 -31.300 13.081 -45.706 836 HD2 TYR 108 HD1 TYR 108 -31.135 14.354 -41.634 837 HE1 TYR 108 HE2 TYR 108 -30.131 10.969 -45.124 838 HE2 TYR 108 HE1 TYR 108 -29.801 12.406 -41.025 839 HH TYR 108 HH TYR 108 -28.954 10.345 -41.753 840 H ASP 109 H ASP 109 -33.334 13.816 -46.451 841 HA ASP 109 HA ASP 109 -34.149 11.118 -45.501 842 HB2 ASP 109 HB2 ASP 109 -35.187 12.570 -47.961 843 HB3 ASP 109 HB3 ASP 109 -35.529 10.884 -47.551 844 H ARG 110 H ARG 110 -33.646 9.395 -47.119 845 HA ARG 110 HA ARG 110 -31.133 10.013 -48.601 846 HB2 ARG 110 HB2 ARG 110 -30.827 9.186 -46.217 847 HB3 ARG 110 HB3 ARG 110 -31.517 7.649 -46.738 848 HG2 ARG 110 HG2 ARG 110 -29.692 7.395 -48.407 849 HG3 ARG 110 HG3 ARG 110 -29.033 8.972 -47.935 850 HD2 ARG 110 HD2 ARG 110 -28.737 8.111 -45.606 851 HD3 ARG 110 HD3 ARG 110 -29.374 6.550 -46.124 852 HE ARG 110 HE ARG 110 -27.232 7.194 -47.854 853 HH11 ARG 110 HH11 ARG 110 -27.751 6.489 -44.439 854 HH12 ARG 110 HH12 ARG 110 -26.130 5.856 -44.196 855 HH21 ARG 110 HH21 ARG 110 -25.134 6.346 -47.519 856 HH22 ARG 110 HH22 ARG 110 -24.652 5.771 -45.935 857 H SER 111 H SER 111 -34.221 8.915 -48.890 858 HA SER 111 HA SER 111 -33.597 7.246 -51.221 859 HB2 SER 111 HB2 SER 111 -33.615 5.648 -49.315 860 HB3 SER 111 HB3 SER 111 -35.231 6.215 -48.863 861 HG SER 111 HG SER 111 -35.279 4.318 -50.203 862 H1 ALA 701 H1 ALA 701 18.176 17.174 -14.909 863 H2 ALA 701 H2 ALA 701 19.736 17.674 -15.106 864 H3 ALA 701 H3 ALA 701 18.802 17.331 -16.415 865 HA ALA 701 HA ALA 701 19.064 19.686 -16.120 866 HB1 ALA 701 HB1 ALA 701 16.662 20.273 -16.237 867 HB2 ALA 701 HB2 ALA 701 17.073 18.877 -17.257 868 HB3 ALA 701 HB3 ALA 701 16.244 18.628 -15.699 869 H ASP 702 H ASP 702 16.436 18.978 -13.781 870 HA ASP 702 HA ASP 702 18.004 20.087 -11.589 871 HB2 ASP 702 HB2 ASP 702 17.129 22.072 -12.908 872 HB3 ASP 702 HB3 ASP 702 15.488 21.492 -12.591 873 H THR 703 H THR 703 16.518 17.592 -12.363 874 HA THR 703 HA THR 703 15.037 17.233 -9.845 875 HB THR 703 HB THR 703 13.357 18.265 -11.249 876 HG1 THR 703 HG1 THR 703 11.866 16.613 -11.019 877 HG21 THR 703 HG21 THR 703 14.265 17.694 -13.447 878 HG22 THR 703 HG22 THR 703 13.936 15.974 -13.172 879 HG23 THR 703 HG23 THR 703 12.585 17.132 -13.311 880 H GLU 704 H GLU 704 14.787 15.162 -9.218 881 HA GLU 704 HA GLU 704 16.708 13.300 -10.341 882 HB2 GLU 704 HB2 GLU 704 15.983 11.873 -8.471 883 HB3 GLU 704 HB3 GLU 704 16.388 13.509 -7.926 884 HG2 GLU 704 HG2 GLU 704 13.996 14.122 -7.913 885 HG3 GLU 704 HG3 GLU 704 13.566 12.500 -8.478 886 H MET 705 H MET 705 13.321 13.892 -10.962 887 HA MET 705 HA MET 705 12.672 11.217 -11.791 888 HB2 MET 705 HB2 MET 705 10.913 12.259 -13.145 889 HB3 MET 705 HB3 MET 705 10.969 12.619 -11.412 890 HG2 MET 705 HG2 MET 705 12.344 14.732 -12.194 891 HG3 MET 705 HG3 MET 705 11.651 14.420 -13.778 892 HE1 MET 705 HE1 MET 705 10.485 14.164 -10.112 893 HE2 MET 705 HE2 MET 705 8.815 14.802 -10.155 894 HE3 MET 705 HE3 MET 705 9.234 13.291 -11.010 895 H GLU 706 H GLU 706 14.712 13.720 -13.114 896 HA GLU 706 HA GLU 706 14.706 12.483 -15.776 897 HB2 GLU 706 HB2 GLU 706 14.894 15.016 -15.231 898 HB3 GLU 706 HB3 GLU 706 16.593 14.678 -14.865 899 HG2 GLU 706 HG2 GLU 706 16.828 13.662 -17.160 900 HG3 GLU 706 HG3 GLU 706 15.120 14.020 -17.463 901 H GLU 707 H GLU 707 15.647 11.257 -13.088 902 HA GLU 707 HA GLU 707 18.080 9.989 -14.192 903 HB2 GLU 707 HB2 GLU 707 18.773 11.769 -12.605 904 HB3 GLU 707 HB3 GLU 707 17.799 11.007 -11.337 905 HG2 GLU 707 HG2 GLU 707 19.192 8.996 -11.423 906 HG3 GLU 707 HG3 GLU 707 20.040 9.604 -12.850 907 H VAL 708 H VAL 708 18.456 7.835 -13.091 908 HA VAL 708 HA VAL 708 15.915 6.496 -13.100 909 HB VAL 708 HB VAL 708 17.021 4.554 -13.359 910 HG11 VAL 708 HG11 VAL 708 19.121 6.573 -14.202 911 HG12 VAL 708 HG12 VAL 708 19.003 4.894 -14.740 912 HG13 VAL 708 HG13 VAL 708 17.683 6.047 -15.142 913 HG21 VAL 708 HG21 VAL 708 19.406 5.708 -11.861 914 HG22 VAL 708 HG22 VAL 708 18.301 4.406 -11.299 915 HG23 VAL 708 HG23 VAL 708 19.357 4.126 -12.689 916 H ASP 709 H ASP 709 15.953 4.468 -11.412 917 HA ASP 709 HA ASP 709 14.812 4.126 -9.510 918 HB2 ASP 709 HB2 ASP 709 16.420 3.657 -7.645 919 HB3 ASP 709 HB3 ASP 709 16.656 2.857 -9.183 Start of MODEL 17 1 H1 SER 2 H1 SER 2 25.800 -6.715 -2.841 2 H2 SER 2 H2 SER 2 25.771 -8.289 -3.319 3 H3 SER 2 H3 SER 2 24.528 -7.678 -2.429 4 HA SER 2 HA SER 2 23.912 -6.187 -4.181 5 HB2 SER 2 HB2 SER 2 26.124 -7.598 -5.717 6 HB3 SER 2 HB3 SER 2 24.989 -6.397 -6.375 7 HG SER 2 HG SER 2 26.977 -5.457 -5.719 8 H GLN 3 H GLN 3 21.980 -6.943 -4.714 9 HA GLN 3 HA GLN 3 21.731 -9.539 -6.077 10 HB2 GLN 3 HB2 GLN 3 20.059 -10.376 -4.491 11 HB3 GLN 3 HB3 GLN 3 21.612 -10.112 -3.681 12 HG2 GLN 3 HG2 GLN 3 20.793 -7.938 -2.818 13 HG3 GLN 3 HG3 GLN 3 19.228 -8.210 -3.608 14 HE21 GLN 3 HE22 GLN 3 19.439 -7.751 -0.844 15 HE22 GLN 3 HE21 GLN 3 18.998 -9.223 -0.000 16 H PHE 4 H PHE 4 21.124 -6.396 -6.205 17 HA PHE 4 HA PHE 4 18.691 -6.636 -7.819 18 HB2 PHE 4 HB2 PHE 4 17.704 -6.456 -5.586 19 HB3 PHE 4 HB3 PHE 4 18.824 -5.178 -5.138 20 HD1 PHE 4 HD1 PHE 4 18.588 -2.850 -6.129 21 HD2 PHE 4 HD2 PHE 4 15.672 -5.959 -6.778 22 HE1 PHE 4 HE1 PHE 4 16.898 -1.156 -6.718 23 HE2 PHE 4 HE2 PHE 4 13.995 -4.244 -7.388 24 HZ PHE 4 HZ PHE 4 14.617 -1.830 -7.348 25 H GLU 5 H GLU 5 21.053 -4.759 -6.011 26 HA GLU 5 HA GLU 5 21.091 -2.327 -7.242 27 HB2 GLU 5 HB2 GLU 5 23.355 -4.069 -6.201 28 HB3 GLU 5 HB3 GLU 5 23.492 -2.355 -6.521 29 HG2 GLU 5 HG2 GLU 5 23.058 -2.419 -4.207 30 HG3 GLU 5 HG3 GLU 5 21.522 -1.970 -4.961 31 H LYS 6 H LYS 6 23.166 -5.240 -8.243 32 HA LYS 6 HA LYS 6 24.608 -3.775 -10.044 33 HB2 LYS 6 HB2 LYS 6 25.025 -5.977 -9.049 34 HB3 LYS 6 HB3 LYS 6 23.814 -6.718 -10.117 35 HG2 LYS 6 HG2 LYS 6 26.085 -7.045 -10.929 36 HG3 LYS 6 HG3 LYS 6 25.133 -6.059 -12.081 37 HD2 LYS 6 HD2 LYS 6 27.352 -5.076 -11.869 38 HD3 LYS 6 HD3 LYS 6 26.163 -4.007 -11.100 39 HE2 LYS 6 HE2 LYS 6 26.758 -4.958 -8.880 40 HE3 LYS 6 HE3 LYS 6 27.965 -5.999 -9.659 41 HZ1 LYS 6 HZ1 LYS 6 29.083 -4.000 -10.397 42 HZ2 LYS 6 HZ2 LYS 6 27.940 -3.055 -9.691 43 HZ3 LYS 6 HZ3 LYS 6 28.925 -3.989 -8.758 44 H GLN 7 H GLN 7 21.619 -5.713 -10.576 45 HA GLN 7 HA GLN 7 21.491 -5.333 -13.388 46 HB2 GLN 7 HB2 GLN 7 19.262 -5.874 -11.404 47 HB3 GLN 7 HB3 GLN 7 19.289 -6.232 -13.156 48 HG2 GLN 7 HG2 GLN 7 21.427 -7.575 -12.692 49 HG3 GLN 7 HG3 GLN 7 21.046 -7.420 -10.957 50 HE21 GLN 7 HE22 GLN 7 19.423 -8.272 -14.074 51 HE22 GLN 7 HE21 GLN 7 18.581 -9.646 -13.404 52 H LYS 8 H LYS 8 20.872 -3.213 -10.679 53 HA LYS 8 HA LYS 8 19.189 -1.358 -12.218 54 HB2 LYS 8 HB2 LYS 8 18.834 -1.947 -9.841 55 HB3 LYS 8 HB3 LYS 8 20.391 -1.220 -9.425 56 HG2 LYS 8 HG2 LYS 8 19.620 0.983 -10.039 57 HG3 LYS 8 HG3 LYS 8 18.140 0.307 -10.770 58 HD2 LYS 8 HD2 LYS 8 17.650 1.111 -8.463 59 HD3 LYS 8 HD3 LYS 8 17.479 -0.639 -8.610 60 HE2 LYS 8 HE2 LYS 8 18.643 -0.147 -6.547 61 HE3 LYS 8 HE3 LYS 8 19.757 -0.923 -7.657 62 HZ1 LYS 8 HZ1 LYS 8 19.563 1.991 -7.172 63 HZ2 LYS 8 HZ2 LYS 8 20.729 1.011 -6.564 64 HZ3 LYS 8 HZ3 LYS 8 20.648 1.277 -8.181 65 H GLU 9 H GLU 9 22.295 -0.996 -10.352 66 HA GLU 9 HA GLU 9 22.939 1.459 -11.635 67 HB2 GLU 9 HB2 GLU 9 25.239 1.058 -10.710 68 HB3 GLU 9 HB3 GLU 9 23.905 1.152 -9.545 69 HG2 GLU 9 HG2 GLU 9 23.986 -1.064 -9.022 70 HG3 GLU 9 HG3 GLU 9 24.576 -1.535 -10.626 71 H GLN 10 H GLN 10 23.608 -1.888 -12.742 72 HA GLN 10 HA GLN 10 25.502 -1.053 -14.737 73 HB2 GLN 10 HB2 GLN 10 24.838 -3.481 -14.122 74 HB3 GLN 10 HB3 GLN 10 23.327 -3.180 -14.996 75 HG2 GLN 10 HG2 GLN 10 24.908 -2.420 -16.958 76 HG3 GLN 10 HG3 GLN 10 26.143 -3.333 -16.088 77 HE21 GLN 10 HE22 GLN 10 23.378 -3.437 -18.156 78 HE22 GLN 10 HE21 GLN 10 23.203 -5.176 -18.262 79 H GLY 11 H GLY 11 21.917 -1.257 -14.762 80 HA2 GLY 11 HA2 GLY 11 21.729 -0.270 -17.484 81 HA3 GLY 11 HA3 GLY 11 20.405 -0.543 -16.334 82 H ASN 12 H ASN 12 22.143 1.227 -14.363 83 HA ASN 12 HA ASN 12 20.690 3.655 -14.694 84 HB2 ASN 12 HB2 ASN 12 23.271 2.890 -13.295 85 HB3 ASN 12 HB3 ASN 12 22.842 4.591 -13.430 86 HD21 ASN 12 HD22 ASN 12 20.835 1.691 -12.661 87 HD22 ASN 12 HD21 ASN 12 20.374 2.263 -11.069 88 H SER 13 H SER 13 23.806 2.575 -16.118 89 HA SER 13 HA SER 13 24.119 5.321 -17.185 90 HB2 SER 13 HB2 SER 13 25.960 2.932 -17.443 91 HB3 SER 13 HB3 SER 13 26.310 4.636 -17.858 92 HG SER 13 HG SER 13 27.099 4.041 -15.779 93 H LEU 14 H LEU 14 23.363 1.975 -18.334 94 HA LEU 14 HA LEU 14 23.637 2.346 -21.098 95 HB2 LEU 14 HB2 LEU 14 21.610 0.807 -19.473 96 HB3 LEU 14 HB3 LEU 14 21.916 0.610 -21.198 97 HG LEU 14 HG LEU 14 23.520 -0.303 -18.872 98 HD11 LEU 14 HD11 LEU 14 23.287 -0.976 -21.791 99 HD12 LEU 14 HD12 LEU 14 24.015 -2.039 -20.538 100 HD13 LEU 14 HD13 LEU 14 22.256 -1.656 -20.491 101 HD21 LEU 14 HD21 LEU 14 24.940 0.622 -21.417 102 HD22 LEU 14 HD22 LEU 14 25.224 1.288 -19.780 103 HD23 LEU 14 HD23 LEU 14 25.641 -0.389 -20.138 104 H PHE 15 H PHE 15 20.927 3.218 -18.900 105 HA PHE 15 HA PHE 15 19.093 4.055 -20.910 106 HB2 PHE 15 HB2 PHE 15 18.177 3.686 -18.810 107 HB3 PHE 15 HB3 PHE 15 19.540 4.430 -17.974 108 HD1 PHE 15 HD2 PHE 15 16.549 5.312 -20.046 109 HD2 PHE 15 HD1 PHE 15 19.520 6.622 -17.234 110 HE1 PHE 15 HE2 PHE 15 15.256 7.395 -19.647 111 HE2 PHE 15 HE1 PHE 15 18.132 8.578 -16.656 112 HZ PHE 15 HZ PHE 15 16.032 9.022 -17.917 113 H LYS 16 H LYS 16 21.906 5.626 -19.452 114 HA LYS 16 HA LYS 16 21.041 8.237 -20.394 115 HB2 LYS 16 HB2 LYS 16 23.776 7.570 -19.304 116 HB3 LYS 16 HB3 LYS 16 22.858 9.103 -19.189 117 HG2 LYS 16 HG2 LYS 16 21.194 7.882 -17.743 118 HG3 LYS 16 HG3 LYS 16 22.244 6.456 -17.855 119 HD2 LYS 16 HD2 LYS 16 22.846 7.424 -15.825 120 HD3 LYS 16 HD3 LYS 16 24.127 7.961 -16.922 121 HE2 LYS 16 HE2 LYS 16 22.944 10.138 -17.209 122 HE3 LYS 16 HE3 LYS 16 21.597 9.531 -16.227 123 HZ1 LYS 16 HZ1 LYS 16 23.027 10.901 -14.922 124 HZ2 LYS 16 HZ2 LYS 16 23.098 9.362 -14.377 125 HZ3 LYS 16 HZ3 LYS 16 24.346 9.972 -15.268 126 H GLN 17 H GLN 17 22.512 5.580 -21.936 127 HA GLN 17 HA GLN 17 24.498 7.147 -23.466 128 HB2 GLN 17 HB2 GLN 17 23.892 4.185 -23.103 129 HB3 GLN 17 HB3 GLN 17 24.984 4.786 -24.350 130 HG2 GLN 17 HG2 GLN 17 26.245 6.055 -22.579 131 HG3 GLN 17 HG3 GLN 17 25.305 5.188 -21.355 132 HE21 GLN 17 HE22 GLN 17 25.192 2.660 -21.936 133 HE22 GLN 17 HE21 GLN 17 26.752 1.931 -22.260 134 H GLY 18 H GLY 18 21.288 5.753 -23.821 135 HA2 GLY 18 HA2 GLY 18 20.323 6.814 -26.024 136 HA3 GLY 18 HA3 GLY 18 21.602 5.739 -26.753 137 H LEU 19 H LEU 19 21.247 3.786 -24.611 138 HA LEU 19 HA LEU 19 19.306 2.305 -26.276 139 HB2 LEU 19 HB2 LEU 19 20.715 0.353 -25.293 140 HB3 LEU 19 HB3 LEU 19 21.142 1.235 -26.732 141 HG LEU 19 HG LEU 19 22.667 2.679 -25.082 142 HD11 LEU 19 HD11 LEU 19 22.286 0.090 -23.522 143 HD12 LEU 19 HD12 LEU 19 23.359 1.434 -23.086 144 HD13 LEU 19 HD13 LEU 19 21.584 1.642 -23.046 145 HD21 LEU 19 HD21 LEU 19 23.527 1.111 -26.797 146 HD22 LEU 19 HD22 LEU 19 24.478 1.024 -25.297 147 HD23 LEU 19 HD23 LEU 19 23.289 -0.246 -25.670 148 H TYR 20 H TYR 20 17.923 3.570 -24.896 149 HA TYR 20 HA TYR 20 17.340 3.237 -22.231 150 HB2 TYR 20 HB2 TYR 20 15.363 3.294 -24.521 151 HB3 TYR 20 HB3 TYR 20 15.088 3.959 -22.928 152 HD1 TYR 20 HD2 TYR 20 17.431 5.505 -22.290 153 HD2 TYR 20 HD1 TYR 20 15.515 5.003 -26.111 154 HE1 TYR 20 HE2 TYR 20 18.418 7.653 -23.075 155 HE2 TYR 20 HE1 TYR 20 16.496 7.139 -26.895 156 HH TYR 20 HH TYR 20 17.810 8.935 -26.362 157 H ARG 21 H ARG 21 16.513 1.019 -24.962 158 HA ARG 21 HA ARG 21 14.723 -0.601 -23.334 159 HB2 ARG 21 HB2 ARG 21 15.081 -0.185 -26.017 160 HB3 ARG 21 HB3 ARG 21 16.095 -1.620 -25.819 161 HG2 ARG 21 HG2 ARG 21 13.145 -1.278 -25.330 162 HG3 ARG 21 HG3 ARG 21 13.977 -2.374 -26.458 163 HD2 ARG 21 HD2 ARG 21 14.851 -3.662 -24.478 164 HD3 ARG 21 HD3 ARG 21 13.896 -2.587 -23.424 165 HE ARG 21 HE ARG 21 12.105 -3.606 -25.306 166 HH11 ARG 21 HH11 ARG 21 14.226 -4.899 -22.788 167 HH12 ARG 21 HH12 ARG 21 13.194 -6.274 -22.465 168 HH21 ARG 21 HH21 ARG 21 10.790 -5.412 -24.867 169 HH22 ARG 21 HH22 ARG 21 11.251 -6.558 -23.630 170 H GLU 22 H GLU 22 18.103 -0.849 -24.492 171 HA GLU 22 HA GLU 22 18.630 -3.424 -23.390 172 HB2 GLU 22 HB2 GLU 22 20.510 -1.083 -23.762 173 HB3 GLU 22 HB3 GLU 22 20.973 -2.781 -23.534 174 HG2 GLU 22 HG2 GLU 22 19.255 -1.723 -25.827 175 HG3 GLU 22 HG3 GLU 22 20.982 -2.102 -25.894 176 H ALA 23 H ALA 23 18.514 -0.167 -22.069 177 HA ALA 23 HA ALA 23 19.676 -0.763 -19.506 178 HB1 ALA 23 HB1 ALA 23 19.476 1.508 -20.591 179 HB2 ALA 23 HB2 ALA 23 17.745 1.482 -20.248 180 HB3 ALA 23 HB3 ALA 23 18.902 1.447 -18.902 181 H VAL 24 H VAL 24 16.276 -0.842 -20.822 182 HA VAL 24 HA VAL 24 15.131 -1.198 -18.262 183 HB VAL 24 HB VAL 24 13.176 -1.341 -19.249 184 HG11 VAL 24 HG11 VAL 24 12.822 0.359 -20.696 185 HG12 VAL 24 HG12 VAL 24 14.442 0.738 -20.047 186 HG13 VAL 24 HG13 VAL 24 14.246 0.007 -21.673 187 HG21 VAL 24 HG21 VAL 24 14.175 -2.830 -21.562 188 HG22 VAL 24 HG22 VAL 24 13.028 -3.234 -20.250 189 HG23 VAL 24 HG23 VAL 24 12.549 -2.040 -21.465 190 H HIS 25 H HIS 25 16.494 -3.042 -20.729 191 HA HIS 25 HA HIS 25 15.433 -5.581 -20.330 192 HB2 HIS 25 HB2 HIS 25 17.150 -4.369 -22.049 193 HB3 HIS 25 HB3 HIS 25 18.293 -5.345 -21.190 194 HD2 HIS 25 HD2 HIS 25 16.692 -5.360 -24.232 195 HE1 HIS 25 HE1 HIS 25 15.692 -9.336 -23.105 196 HE2 HIS 25 HE2 HIS 25 15.830 -7.709 -25.056 197 H CYS 26 H CYS 26 17.344 -3.797 -18.196 198 HA CYS 26 HA CYS 26 18.076 -6.245 -16.652 199 HB2 CYS 26 HB2 CYS 26 19.533 -3.572 -16.768 200 HB3 CYS 26 HB3 CYS 26 19.959 -4.944 -15.723 201 HG CYS 26 HG CYS 26 19.763 -4.872 -19.019 202 H TYR 27 H TYR 27 16.663 -3.031 -16.805 203 HA TYR 27 HA TYR 27 15.946 -2.591 -14.084 204 HB2 TYR 27 HB2 TYR 27 14.625 -2.045 -16.756 205 HB3 TYR 27 HB3 TYR 27 14.016 -1.329 -15.339 206 HD1 TYR 27 HD1 TYR 27 17.451 -1.202 -14.678 207 HD2 TYR 27 HD2 TYR 27 14.454 0.492 -17.259 208 HE1 TYR 27 HE1 TYR 27 18.826 0.836 -14.950 209 HE2 TYR 27 HE2 TYR 27 15.768 2.534 -17.499 210 HH TYR 27 HH TYR 27 19.008 2.877 -15.944 211 H ASP 28 H ASP 28 14.605 -4.632 -16.676 212 HA ASP 28 HA ASP 28 12.044 -5.084 -15.532 213 HB2 ASP 28 HB2 ASP 28 12.711 -5.442 -17.902 214 HB3 ASP 28 HB3 ASP 28 13.668 -6.850 -17.384 215 H GLN 29 H GLN 29 15.247 -6.593 -14.975 216 HA GLN 29 HA GLN 29 14.077 -8.753 -13.469 217 HB2 GLN 29 HB2 GLN 29 16.923 -7.713 -13.674 218 HB3 GLN 29 HB3 GLN 29 16.436 -9.122 -12.711 219 HG2 GLN 29 HG2 GLN 29 16.908 -10.272 -14.588 220 HG3 GLN 29 HG3 GLN 29 15.263 -9.834 -15.025 221 HE21 GLN 29 HE22 GLN 29 14.942 -8.655 -16.878 222 HE22 GLN 29 HE21 GLN 29 16.228 -7.905 -17.813 223 H LEU 30 H LEU 30 14.671 -5.398 -12.734 224 HA LEU 30 HA LEU 30 15.080 -5.742 -9.877 225 HB2 LEU 30 HB2 LEU 30 13.754 -3.445 -11.353 226 HB3 LEU 30 HB3 LEU 30 14.478 -3.377 -9.736 227 HG LEU 30 HG LEU 30 15.830 -3.724 -12.397 228 HD11 LEU 30 HD11 LEU 30 16.166 -1.671 -10.175 229 HD12 LEU 30 HD12 LEU 30 17.070 -1.709 -11.708 230 HD13 LEU 30 HD13 LEU 30 15.313 -1.411 -11.718 231 HD21 LEU 30 HD21 LEU 30 17.023 -3.963 -9.595 232 HD22 LEU 30 HD22 LEU 30 16.960 -5.251 -10.818 233 HD23 LEU 30 HD23 LEU 30 17.986 -3.832 -11.090 234 H ILE 31 H ILE 31 12.279 -5.548 -12.078 235 HA ILE 31 HA ILE 31 10.356 -5.549 -9.898 236 HB ILE 31 HB ILE 31 9.864 -6.360 -12.796 237 HG12 ILE 31 HG12 ILE 31 8.896 -3.761 -12.485 238 HG13 ILE 31 HG13 ILE 31 10.418 -3.692 -11.596 239 HG21 ILE 31 HG21 ILE 31 8.267 -5.158 -10.532 240 HG22 ILE 31 HG22 ILE 31 7.601 -5.567 -12.138 241 HG23 ILE 31 HG23 ILE 31 8.191 -6.879 -11.072 242 HD11 ILE 31 HD11 ILE 31 11.610 -4.542 -13.569 243 HD12 ILE 31 HD12 ILE 31 10.070 -4.690 -14.458 244 HD13 ILE 31 HD13 ILE 31 10.658 -3.084 -13.995 245 H THR 32 H THR 32 11.995 -8.036 -11.884 246 HA THR 32 HA THR 32 10.269 -10.096 -10.727 247 HB THR 32 HB THR 32 12.858 -10.057 -12.347 248 HG1 THR 32 HG1 THR 32 10.958 -9.460 -13.428 249 HG21 THR 32 HG21 THR 32 12.568 -12.448 -12.827 250 HG22 THR 32 HG22 THR 32 12.933 -12.145 -11.127 251 HG23 THR 32 HG23 THR 32 11.256 -12.530 -11.614 252 H ALA 33 H ALA 33 13.359 -8.596 -9.843 253 HA ALA 33 HA ALA 33 13.933 -10.726 -7.927 254 HB1 ALA 33 HB1 ALA 33 15.775 -9.496 -9.057 255 HB2 ALA 33 HB2 ALA 33 15.188 -7.968 -8.361 256 HB3 ALA 33 HB3 ALA 33 15.834 -9.231 -7.296 257 H GLN 34 H GLN 34 12.172 -7.755 -8.117 258 HA GLN 34 HA GLN 34 11.219 -8.081 -5.402 259 HB2 GLN 34 HB2 GLN 34 13.428 -6.548 -5.510 260 HB3 GLN 34 HB3 GLN 34 12.332 -5.346 -6.137 261 HG2 GLN 34 HG2 GLN 34 10.918 -5.614 -4.060 262 HG3 GLN 34 HG3 GLN 34 12.019 -6.893 -3.504 263 HE21 GLN 34 HE21 GLN 34 14.463 -5.571 -4.416 264 HE22 GLN 34 HE22 GLN 34 14.700 -4.188 -3.363 265 HA PRO 35 HA PRO 35 8.278 -6.750 -8.663 266 HB2 PRO 35 HB2 PRO 35 6.367 -8.675 -7.991 267 HB3 PRO 35 HB3 PRO 35 7.699 -8.848 -9.169 268 HG2 PRO 35 HG2 PRO 35 7.517 -10.072 -6.476 269 HG3 PRO 35 HG3 PRO 35 8.498 -10.560 -7.889 270 HD2 PRO 35 HD2 PRO 35 9.473 -9.206 -5.660 271 HD3 PRO 35 HD3 PRO 35 10.289 -9.495 -7.224 272 H GLN 36 H GLN 36 8.357 -7.031 -5.405 273 HA GLN 36 HA GLN 36 6.163 -5.061 -5.071 274 HB2 GLN 36 HB2 GLN 36 7.739 -6.539 -2.921 275 HB3 GLN 36 HB3 GLN 36 6.387 -5.429 -2.635 276 HG2 GLN 36 HG2 GLN 36 4.957 -7.137 -2.839 277 HG3 GLN 36 HG3 GLN 36 5.443 -7.323 -4.532 278 HE21 GLN 36 HE22 GLN 36 7.211 -8.802 -5.037 279 HE22 GLN 36 HE21 GLN 36 7.637 -10.095 -3.933 280 H ASN 37 H ASN 37 8.384 -4.177 -6.459 281 HA ASN 37 HA ASN 37 9.165 -1.930 -4.691 282 HB2 ASN 37 HB2 ASN 37 11.410 -2.502 -4.687 283 HB3 ASN 37 HB3 ASN 37 10.928 -4.029 -5.402 284 HD21 ASN 37 HD22 ASN 37 10.719 -4.155 -7.728 285 HD22 ASN 37 HD21 ASN 37 11.884 -3.282 -8.713 286 HA PRO 38 HA PRO 38 8.023 0.320 -8.197 287 HB2 PRO 38 HB2 PRO 38 8.523 2.711 -7.283 288 HB3 PRO 38 HB3 PRO 38 7.401 1.613 -6.396 289 HG2 PRO 38 HG2 PRO 38 10.304 2.246 -5.718 290 HG3 PRO 38 HG3 PRO 38 8.896 2.181 -4.614 291 HD2 PRO 38 HD2 PRO 38 10.685 0.087 -5.142 292 HD3 PRO 38 HD3 PRO 38 9.020 -0.100 -4.494 293 H VAL 39 H VAL 39 11.460 1.311 -7.032 294 HA VAL 39 HA VAL 39 12.238 2.586 -9.260 295 HB VAL 39 HB VAL 39 14.176 2.367 -8.482 296 HG11 VAL 39 HG11 VAL 39 13.209 0.562 -6.296 297 HG12 VAL 39 HG12 VAL 39 14.693 1.565 -6.369 298 HG13 VAL 39 HG13 VAL 39 13.114 2.357 -6.386 299 HG21 VAL 39 HG21 VAL 39 14.783 0.603 -9.829 300 HG22 VAL 39 HG22 VAL 39 15.498 0.295 -8.229 301 HG23 VAL 39 HG23 VAL 39 14.054 -0.623 -8.763 302 H GLY 40 H GLY 40 11.631 -0.758 -8.894 303 HA2 GLY 40 HA2 GLY 40 12.626 -1.961 -11.304 304 HA3 GLY 40 HA3 GLY 40 11.261 -2.516 -10.434 305 H TYR 41 H TYR 41 9.295 -0.622 -10.773 306 HA TYR 41 HA TYR 41 8.652 -0.584 -13.566 307 HB2 TYR 41 HB2 TYR 41 7.595 0.882 -11.124 308 HB3 TYR 41 HB3 TYR 41 6.762 0.848 -12.648 309 HD1 TYR 41 HD1 TYR 41 5.849 -1.357 -13.521 310 HD2 TYR 41 HD2 TYR 41 7.427 -0.868 -9.567 311 HE1 TYR 41 HE1 TYR 41 4.709 -3.455 -12.823 312 HE2 TYR 41 HE2 TYR 41 6.291 -2.972 -8.844 313 HH TYR 41 HH TYR 41 4.299 -4.906 -11.107 314 H SER 42 H SER 42 10.243 1.619 -11.308 315 HA SER 42 HA SER 42 9.542 4.061 -12.639 316 HB2 SER 42 HB2 SER 42 11.902 3.564 -10.768 317 HB3 SER 42 HB3 SER 42 11.087 5.110 -11.116 318 HG SER 42 HG SER 42 9.860 2.858 -9.915 319 H ASN 43 H ASN 43 12.372 1.894 -12.841 320 HA ASN 43 HA ASN 43 13.889 3.804 -14.450 321 HB2 ASN 43 HB2 ASN 43 14.344 0.860 -13.767 322 HB3 ASN 43 HB3 ASN 43 15.522 1.938 -14.534 323 HD21 ASN 43 HD22 ASN 43 16.661 0.954 -12.539 324 HD22 ASN 43 HD21 ASN 43 16.621 1.972 -11.105 325 H LYS 44 H LYS 44 12.260 0.644 -14.946 326 HA LYS 44 HA LYS 44 12.471 0.384 -17.773 327 HB2 LYS 44 HB2 LYS 44 11.768 -1.324 -16.211 328 HB3 LYS 44 HB3 LYS 44 10.284 -0.412 -15.842 329 HG2 LYS 44 HG2 LYS 44 9.509 -0.657 -18.146 330 HG3 LYS 44 HG3 LYS 44 11.034 -1.453 -18.614 331 HD2 LYS 44 HD2 LYS 44 10.571 -3.281 -17.017 332 HD3 LYS 44 HD3 LYS 44 9.038 -2.500 -16.562 333 HE2 LYS 44 HE2 LYS 44 8.252 -2.704 -18.894 334 HE3 LYS 44 HE3 LYS 44 9.780 -3.472 -19.354 335 HZ1 LYS 44 HZ1 LYS 44 8.072 -5.093 -18.944 336 HZ2 LYS 44 HZ2 LYS 44 9.264 -5.260 -17.826 337 HZ3 LYS 44 HZ3 LYS 44 7.846 -4.555 -17.410 338 H ALA 45 H ALA 45 10.407 2.443 -15.694 339 HA ALA 45 HA ALA 45 8.581 3.152 -17.837 340 HB1 ALA 45 HB1 ALA 45 9.122 4.418 -15.117 341 HB2 ALA 45 HB2 ALA 45 7.769 4.833 -16.200 342 HB3 ALA 45 HB3 ALA 45 7.876 3.209 -15.492 343 H MET 46 H MET 46 11.213 4.985 -16.105 344 HA MET 46 HA MET 46 10.996 7.317 -17.626 345 HB2 MET 46 HB2 MET 46 12.567 6.443 -15.577 346 HB3 MET 46 HB3 MET 46 13.751 6.449 -16.881 347 HG2 MET 46 HG2 MET 46 11.981 8.784 -16.050 348 HG3 MET 46 HG3 MET 46 13.683 8.578 -15.629 349 HE1 MET 46 HE1 MET 46 11.392 10.575 -17.671 350 HE2 MET 46 HE2 MET 46 11.933 10.458 -19.366 351 HE3 MET 46 HE3 MET 46 11.126 9.077 -18.590 352 H ALA 47 H ALA 47 12.612 4.249 -18.390 353 HA ALA 47 HA ALA 47 13.990 5.226 -20.721 354 HB1 ALA 47 HB1 ALA 47 14.700 3.222 -19.535 355 HB2 ALA 47 HB2 ALA 47 13.126 2.453 -19.825 356 HB3 ALA 47 HB3 ALA 47 14.221 2.783 -21.192 357 H LEU 48 H LEU 48 10.742 3.739 -20.173 358 HA LEU 48 HA LEU 48 10.131 3.394 -22.933 359 HB2 LEU 48 HB2 LEU 48 8.440 3.729 -20.445 360 HB3 LEU 48 HB3 LEU 48 7.727 3.473 -22.048 361 HG LEU 48 HG LEU 48 9.799 1.598 -20.850 362 HD11 LEU 48 HD11 LEU 48 6.762 1.472 -20.817 363 HD12 LEU 48 HD12 LEU 48 7.834 0.129 -20.346 364 HD13 LEU 48 HD13 LEU 48 7.828 1.642 -19.400 365 HD21 LEU 48 HD21 LEU 48 8.973 0.022 -22.501 366 HD22 LEU 48 HD22 LEU 48 7.785 1.211 -23.083 367 HD23 LEU 48 HD23 LEU 48 9.531 1.510 -23.307 368 H ILE 49 H ILE 49 10.042 6.304 -20.873 369 HA ILE 49 HA ILE 49 8.488 7.869 -22.782 370 HB ILE 49 HB ILE 49 10.448 8.462 -20.504 371 HG12 ILE 49 HG12 ILE 49 8.421 9.813 -19.690 372 HG13 ILE 49 HG13 ILE 49 7.474 8.957 -20.920 373 HG21 ILE 49 HG21 ILE 49 9.198 10.504 -22.350 374 HG22 ILE 49 HG22 ILE 49 10.062 10.873 -20.846 375 HG23 ILE 49 HG23 ILE 49 10.941 10.120 -22.187 376 HD11 ILE 49 HD11 ILE 49 8.112 6.794 -19.877 377 HD12 ILE 49 HD12 ILE 49 9.091 7.667 -18.671 378 HD13 ILE 49 HD13 ILE 49 7.333 7.867 -18.689 379 H LYS 50 H LYS 50 12.013 7.490 -22.134 380 HA LYS 50 HA LYS 50 12.866 8.970 -24.367 381 HB2 LYS 50 HB2 LYS 50 13.906 7.467 -22.156 382 HB3 LYS 50 HB3 LYS 50 14.689 6.885 -23.623 383 HG2 LYS 50 HG2 LYS 50 15.972 8.766 -22.803 384 HG3 LYS 50 HG3 LYS 50 15.106 9.300 -24.268 385 HD2 LYS 50 HD2 LYS 50 14.847 11.038 -22.649 386 HD3 LYS 50 HD3 LYS 50 13.286 10.213 -22.686 387 HE2 LYS 50 HE2 LYS 50 13.707 9.121 -20.616 388 HE3 LYS 50 HE3 LYS 50 15.453 9.351 -20.761 389 HZ1 LYS 50 HZ1 LYS 50 14.456 10.862 -19.167 390 HZ2 LYS 50 HZ2 LYS 50 15.144 11.688 -20.410 391 HZ3 LYS 50 HZ3 LYS 50 13.508 11.525 -20.333 392 H LEU 51 H LEU 51 11.202 5.983 -24.326 393 HA LEU 51 HA LEU 51 12.260 5.184 -26.994 394 HB2 LEU 51 HB2 LEU 51 10.668 3.785 -24.824 395 HB3 LEU 51 HB3 LEU 51 10.874 3.127 -26.449 396 HG LEU 51 HG LEU 51 13.230 3.846 -24.646 397 HD11 LEU 51 HD11 LEU 51 13.373 1.411 -24.202 398 HD12 LEU 51 HD12 LEU 51 11.854 2.089 -23.582 399 HD13 LEU 51 HD13 LEU 51 11.862 1.160 -25.099 400 HD21 LEU 51 HD21 LEU 51 13.774 3.712 -27.036 401 HD22 LEU 51 HD22 LEU 51 14.444 2.323 -26.152 402 HD23 LEU 51 HD23 LEU 51 12.972 2.124 -27.141 403 H GLY 52 H GLY 52 9.823 6.876 -25.327 404 HA2 GLY 52 HA2 GLY 52 7.949 7.934 -25.957 405 HA3 GLY 52 HA3 GLY 52 8.273 7.498 -27.639 406 H GLU 53 H GLU 53 8.251 4.929 -25.383 407 HA GLU 53 HA GLU 53 5.586 3.907 -26.184 408 HB2 GLU 53 HB2 GLU 53 7.936 2.762 -24.583 409 HB3 GLU 53 HB3 GLU 53 6.477 1.833 -25.014 410 HG2 GLU 53 HG2 GLU 53 8.268 3.147 -27.101 411 HG3 GLU 53 HG3 GLU 53 8.577 1.534 -26.490 412 H TYR 54 H TYR 54 5.591 6.201 -24.957 413 HA TYR 54 HA TYR 54 5.151 6.501 -22.297 414 HB2 TYR 54 HB2 TYR 54 3.269 7.245 -24.538 415 HB3 TYR 54 HB3 TYR 54 3.306 8.027 -23.078 416 HD1 TYR 54 HD2 TYR 54 6.074 8.795 -22.548 417 HD2 TYR 54 HD1 TYR 54 4.161 8.370 -26.372 418 HE1 TYR 54 HE2 TYR 54 7.663 10.428 -23.529 419 HE2 TYR 54 HE1 TYR 54 5.780 9.939 -27.374 420 HH TYR 54 HH TYR 54 7.564 11.338 -26.994 421 H THR 55 H THR 55 3.034 4.737 -24.653 422 HA THR 55 HA THR 55 0.713 4.612 -23.083 423 HB THR 55 HB THR 55 1.595 2.214 -24.670 424 HG1 THR 55 HG1 THR 55 1.024 3.315 -26.560 425 HG21 THR 55 HG21 THR 55 -0.607 2.304 -23.569 426 HG22 THR 55 HG22 THR 55 -0.964 3.835 -24.400 427 HG23 THR 55 HG23 THR 55 -0.802 2.326 -25.344 428 H GLN 56 H GLN 56 3.619 2.586 -23.091 429 HA GLN 56 HA GLN 56 2.596 0.741 -21.066 430 HB2 GLN 56 HB2 GLN 56 5.372 1.168 -22.256 431 HB3 GLN 56 HB3 GLN 56 4.841 -0.240 -21.312 432 HG2 GLN 56 HG2 GLN 56 3.873 0.692 -24.059 433 HG3 GLN 56 HG3 GLN 56 4.830 -0.743 -23.717 434 HE21 GLN 56 HE22 GLN 56 1.674 0.734 -23.668 435 HE22 GLN 56 HE21 GLN 56 0.745 -0.708 -23.290 436 H ALA 57 H ALA 57 4.819 3.497 -21.300 437 HA ALA 57 HA ALA 57 5.995 3.442 -18.771 438 HB1 ALA 57 HB1 ALA 57 5.048 5.831 -20.425 439 HB2 ALA 57 HB2 ALA 57 6.297 5.870 -19.168 440 HB3 ALA 57 HB3 ALA 57 6.568 4.969 -20.686 441 H ILE 58 H ILE 58 2.835 4.788 -19.765 442 HA ILE 58 HA ILE 58 2.152 6.052 -17.309 443 HB ILE 58 HB ILE 58 0.451 4.753 -19.453 444 HG12 ILE 58 HG12 ILE 58 0.923 7.728 -19.192 445 HG13 ILE 58 HG13 ILE 58 2.157 6.736 -19.965 446 HG21 ILE 58 HG21 ILE 58 -0.895 5.216 -17.413 447 HG22 ILE 58 HG22 ILE 58 -0.325 6.906 -17.435 448 HG23 ILE 58 HG23 ILE 58 -1.342 6.307 -18.748 449 HD11 ILE 58 HD11 ILE 58 0.394 5.794 -21.501 450 HD12 ILE 58 HD12 ILE 58 -0.775 6.935 -20.805 451 HD13 ILE 58 HD13 ILE 58 0.650 7.537 -21.682 452 H GLN 59 H GLN 59 1.844 2.636 -18.465 453 HA GLN 59 HA GLN 59 0.211 1.767 -16.279 454 HB2 GLN 59 HB2 GLN 59 2.054 0.216 -18.127 455 HB3 GLN 59 HB3 GLN 59 0.744 -0.423 -17.110 456 HG2 GLN 59 HG2 GLN 59 0.578 1.294 -19.589 457 HG3 GLN 59 HG3 GLN 59 -0.141 -0.303 -19.289 458 HE21 GLN 59 HE22 GLN 59 -0.871 2.890 -19.617 459 HE22 GLN 59 HE21 GLN 59 -2.287 2.992 -18.573 460 H MET 60 H MET 60 3.714 1.915 -16.931 461 HA MET 60 HA MET 60 4.581 0.279 -14.712 462 HB2 MET 60 HB2 MET 60 5.979 2.602 -16.073 463 HB3 MET 60 HB3 MET 60 6.731 1.408 -15.001 464 HG2 MET 60 HG2 MET 60 5.603 0.953 -17.779 465 HG3 MET 60 HG3 MET 60 7.284 0.909 -17.268 466 HE1 MET 60 HE1 MET 60 3.772 -0.875 -16.457 467 HE2 MET 60 HE2 MET 60 4.272 -0.870 -18.162 468 HE3 MET 60 HE3 MET 60 4.206 -2.407 -17.249 469 H CYS 61 H CYS 61 3.961 3.804 -15.044 470 HA CYS 61 HA CYS 61 5.214 4.438 -12.549 471 HB2 CYS 61 HB2 CYS 61 3.236 5.933 -14.303 472 HB3 CYS 61 HB3 CYS 61 4.101 6.618 -12.904 473 HG CYS 61 HG CYS 61 5.347 5.218 -15.626 474 H GLN 62 H GLN 62 1.702 4.386 -13.466 475 HA GLN 62 HA GLN 62 0.750 4.738 -10.844 476 HB2 GLN 62 HB2 GLN 62 -1.364 3.822 -11.686 477 HB3 GLN 62 HB3 GLN 62 -0.654 5.039 -12.766 478 HG2 GLN 62 HG2 GLN 62 -0.987 3.558 -14.413 479 HG3 GLN 62 HG3 GLN 62 0.414 2.687 -13.762 480 HE21 GLN 62 HE22 GLN 62 -0.965 1.806 -11.277 481 HE22 GLN 62 HE21 GLN 62 -2.050 0.541 -11.793 482 H GLN 63 H GLN 63 2.015 1.738 -12.322 483 HA GLN 63 HA GLN 63 1.168 0.024 -10.117 484 HB2 GLN 63 HB2 GLN 63 2.815 -0.115 -12.574 485 HB3 GLN 63 HB3 GLN 63 3.566 -0.944 -11.214 486 HG2 GLN 63 HG2 GLN 63 2.114 -2.401 -12.598 487 HG3 GLN 63 HG3 GLN 63 1.666 -2.363 -10.879 488 HE21 GLN 63 HE22 GLN 63 0.863 -0.798 -14.036 489 HE22 GLN 63 HE21 GLN 63 -0.851 -0.646 -13.701 490 H GLY 64 H GLY 64 4.249 1.822 -10.884 491 HA2 GLY 64 HA2 GLY 64 5.674 1.116 -8.628 492 HA3 GLY 64 HA3 GLY 64 5.733 2.711 -9.391 493 H LEU 65 H LEU 65 2.937 3.414 -8.839 494 HA LEU 65 HA LEU 65 3.191 4.588 -6.254 495 HB2 LEU 65 HB2 LEU 65 1.076 4.325 -8.380 496 HB3 LEU 65 HB3 LEU 65 0.562 4.837 -6.771 497 HG LEU 65 HG LEU 65 2.788 6.207 -8.323 498 HD11 LEU 65 HD11 LEU 65 1.123 7.971 -8.751 499 HD12 LEU 65 HD12 LEU 65 0.631 6.428 -9.481 500 HD13 LEU 65 HD13 LEU 65 -0.137 6.989 -7.976 501 HD21 LEU 65 HD21 LEU 65 3.083 6.696 -6.028 502 HD22 LEU 65 HD22 LEU 65 2.045 8.032 -6.557 503 HD23 LEU 65 HD23 LEU 65 1.333 6.677 -5.689 504 H ARG 66 H ARG 66 2.515 1.336 -6.923 505 HA ARG 66 HA ARG 66 0.580 0.923 -4.749 506 HB2 ARG 66 HB2 ARG 66 2.080 -0.828 -6.764 507 HB3 ARG 66 HB3 ARG 66 0.857 -1.454 -5.699 508 HG2 ARG 66 HG2 ARG 66 -0.787 0.183 -6.672 509 HG3 ARG 66 HG3 ARG 66 0.470 0.736 -7.790 510 HD2 ARG 66 HD2 ARG 66 -0.822 -0.859 -8.966 511 HD3 ARG 66 HD3 ARG 66 0.757 -1.596 -8.614 512 HE ARG 66 HE ARG 66 -0.783 -2.423 -6.498 513 HH11 ARG 66 HH11 ARG 66 -1.240 -2.589 -10.010 514 HH12 ARG 66 HH12 ARG 66 -2.178 -4.058 -9.929 515 HH21 ARG 66 HH21 ARG 66 -1.984 -4.351 -6.437 516 HH22 ARG 66 HH22 ARG 66 -2.601 -5.052 -7.912 517 H TYR 67 H TYR 67 3.872 1.099 -5.403 518 HA TYR 67 HA TYR 67 4.724 -0.512 -3.054 519 HB2 TYR 67 HB2 TYR 67 6.138 0.194 -5.635 520 HB3 TYR 67 HB3 TYR 67 6.766 -0.903 -4.417 521 HD1 TYR 67 HD2 TYR 67 5.350 -3.083 -3.981 522 HD2 TYR 67 HD1 TYR 67 4.640 -0.410 -7.260 523 HE1 TYR 67 HE2 TYR 67 4.104 -4.865 -5.154 524 HE2 TYR 67 HE1 TYR 67 3.366 -2.121 -8.438 525 HH TYR 67 HH TYR 67 2.606 -4.346 -8.386 526 H THR 68 H THR 68 3.964 2.347 -2.821 527 HA THR 68 HA THR 68 6.622 3.439 -2.037 528 HB THR 68 HB THR 68 5.781 5.694 -2.726 529 HG1 THR 68 HG1 THR 68 3.576 5.193 -2.888 530 HG21 THR 68 HG21 THR 68 7.380 4.556 -4.136 531 HG22 THR 68 HG22 THR 68 6.109 3.560 -4.867 532 HG23 THR 68 HG23 THR 68 6.146 5.322 -5.165 533 H SER 69 H SER 69 4.446 2.055 -0.540 534 HA SER 69 HA SER 69 3.009 3.929 1.067 535 HB2 SER 69 HB2 SER 69 3.890 1.056 1.528 536 HB3 SER 69 HB3 SER 69 2.764 1.949 2.566 537 HG SER 69 HG SER 69 1.705 0.688 0.931 538 H THR 70 H THR 70 6.237 3.883 0.904 539 HA THR 70 HA THR 70 6.596 4.535 3.785 540 HB THR 70 HB THR 70 7.270 2.237 3.650 541 HG1 THR 70 HG1 THR 70 9.448 2.480 4.170 542 HG21 THR 70 HG21 THR 70 8.924 3.085 1.234 543 HG22 THR 70 HG22 THR 70 9.082 1.522 2.072 544 HG23 THR 70 HG23 THR 70 7.562 1.946 1.257 545 H ALA 71 H ALA 71 8.535 5.767 4.240 546 HA ALA 71 HA ALA 71 8.853 7.877 2.285 547 HB1 ALA 71 HB1 ALA 71 10.148 7.465 5.007 548 HB2 ALA 71 HB2 ALA 71 10.110 8.976 4.067 549 HB3 ALA 71 HB3 ALA 71 8.600 8.296 4.707 550 H GLU 72 H GLU 72 10.617 4.918 2.679 551 HA GLU 72 HA GLU 72 13.122 6.035 1.673 552 HB2 GLU 72 HB2 GLU 72 13.667 3.669 1.204 553 HB3 GLU 72 HB3 GLU 72 13.129 3.917 2.878 554 HG2 GLU 72 HG2 GLU 72 10.841 3.174 2.176 555 HG3 GLU 72 HG3 GLU 72 11.487 2.800 0.577 556 H HIS 73 H HIS 73 10.010 5.443 0.398 557 HA HIS 73 HA HIS 73 11.057 5.281 -2.379 558 HB2 HIS 73 HB2 HIS 73 8.598 4.051 -1.101 559 HB3 HIS 73 HB3 HIS 73 8.839 4.149 -2.850 560 HD2 HIS 73 HD2 HIS 73 12.196 3.486 -1.793 561 HE1 HIS 73 HE1 HIS 73 10.508 -0.407 -2.058 562 HE2 HIS 73 HE2 HIS 73 12.686 0.916 -1.910 563 H VAL 74 H VAL 74 10.144 7.616 -0.437 564 HA VAL 74 HA VAL 74 7.920 8.823 -1.831 565 HB VAL 74 HB VAL 74 8.572 9.433 0.442 566 HG11 VAL 74 HG11 VAL 74 10.558 10.691 0.957 567 HG12 VAL 74 HG12 VAL 74 11.062 9.205 0.127 568 HG13 VAL 74 HG13 VAL 74 11.044 10.756 -0.749 569 HG21 VAL 74 HG21 VAL 74 7.410 11.075 -1.031 570 HG22 VAL 74 HG22 VAL 74 8.469 11.874 0.171 571 HG23 VAL 74 HG23 VAL 74 8.996 11.716 -1.524 572 H ALA 75 H ALA 75 11.388 8.746 -2.277 573 HA ALA 75 HA ALA 75 11.859 10.833 -4.104 574 HB1 ALA 75 HB1 ALA 75 12.891 7.955 -4.121 575 HB2 ALA 75 HB2 ALA 75 13.684 9.352 -4.875 576 HB3 ALA 75 HB3 ALA 75 13.556 9.274 -3.096 577 H ILE 76 H ILE 76 10.785 7.548 -4.549 578 HA ILE 76 HA ILE 76 10.519 7.448 -7.400 579 HB ILE 76 HB ILE 76 9.828 5.964 -4.870 580 HG12 ILE 76 HG12 ILE 76 12.167 6.135 -6.247 581 HG13 ILE 76 HG13 ILE 76 11.668 4.825 -5.224 582 HG21 ILE 76 HG21 ILE 76 9.032 5.015 -7.621 583 HG22 ILE 76 HG22 ILE 76 8.969 4.111 -6.048 584 HG23 ILE 76 HG23 ILE 76 7.943 5.519 -6.296 585 HD11 ILE 76 HD11 ILE 76 11.185 5.236 -8.225 586 HD12 ILE 76 HD12 ILE 76 12.533 4.256 -7.582 587 HD13 ILE 76 HD13 ILE 76 10.844 3.699 -7.372 588 H ARG 77 H ARG 77 8.416 7.960 -4.607 589 HA ARG 77 HA ARG 77 5.937 8.015 -6.089 590 HB2 ARG 77 HB2 ARG 77 6.180 7.503 -3.633 591 HB3 ARG 77 HB3 ARG 77 6.492 9.242 -3.373 592 HG2 ARG 77 HG2 ARG 77 4.125 8.879 -5.016 593 HG3 ARG 77 HG3 ARG 77 3.972 7.946 -3.510 594 HD2 ARG 77 HD2 ARG 77 4.548 9.923 -2.183 595 HD3 ARG 77 HD3 ARG 77 4.803 10.875 -3.651 596 HE ARG 77 HE ARG 77 2.226 10.005 -2.483 597 HH11 ARG 77 HH11 ARG 77 3.892 11.521 -5.206 598 HH12 ARG 77 HH12 ARG 77 2.456 12.352 -5.770 599 HH21 ARG 77 HH21 ARG 77 0.365 11.079 -3.265 600 HH22 ARG 77 HH22 ARG 77 0.465 12.088 -4.685 601 H SER 78 H SER 78 8.465 9.956 -6.363 602 HA SER 78 HA SER 78 6.795 12.304 -7.148 603 HB2 SER 78 HB2 SER 78 8.747 12.524 -5.425 604 HB3 SER 78 HB3 SER 78 9.815 12.097 -6.742 605 HG SER 78 HG SER 78 9.575 14.377 -6.533 606 H LYS 79 H LYS 79 8.612 9.586 -8.302 607 HA LYS 79 HA LYS 79 9.204 10.860 -10.912 608 HB2 LYS 79 HB2 LYS 79 9.663 8.060 -9.787 609 HB3 LYS 79 HB3 LYS 79 10.176 8.607 -11.395 610 HG2 LYS 79 HG2 LYS 79 11.524 10.407 -10.336 611 HG3 LYS 79 HG3 LYS 79 11.041 9.816 -8.736 612 HD2 LYS 79 HD2 LYS 79 12.093 7.614 -9.228 613 HD3 LYS 79 HD3 LYS 79 12.590 8.221 -10.828 614 HE2 LYS 79 HE2 LYS 79 13.750 10.111 -9.704 615 HE3 LYS 79 HE3 LYS 79 13.363 9.370 -8.123 616 HZ1 LYS 79 HZ1 LYS 79 14.945 8.078 -10.241 617 HZ2 LYS 79 HZ2 LYS 79 15.580 8.794 -8.897 618 HZ3 LYS 79 HZ3 LYS 79 14.624 7.471 -8.748 619 H LEU 80 H LEU 80 7.247 8.244 -9.520 620 HA LEU 80 HA LEU 80 6.008 7.308 -11.933 621 HB2 LEU 80 HB2 LEU 80 5.436 7.249 -8.975 622 HB3 LEU 80 HB3 LEU 80 4.308 6.497 -10.098 623 HG LEU 80 HG LEU 80 5.567 4.689 -10.443 624 HD11 LEU 80 HD11 LEU 80 8.197 6.137 -10.152 625 HD12 LEU 80 HD12 LEU 80 7.887 4.461 -10.688 626 HD13 LEU 80 HD13 LEU 80 7.358 5.798 -11.703 627 HD21 LEU 80 HD21 LEU 80 5.403 4.921 -8.007 628 HD22 LEU 80 HD22 LEU 80 6.947 4.131 -8.436 629 HD23 LEU 80 HD23 LEU 80 6.913 5.856 -7.998 630 H GLN 81 H GLN 81 5.783 10.273 -10.632 631 HA GLN 81 HA GLN 81 2.942 10.695 -11.372 632 HB2 GLN 81 HB2 GLN 81 4.977 12.100 -9.587 633 HB3 GLN 81 HB3 GLN 81 3.369 12.757 -9.846 634 HG2 GLN 81 HG2 GLN 81 3.471 11.625 -7.736 635 HG3 GLN 81 HG3 GLN 81 2.463 10.613 -8.808 636 HE21 GLN 81 HE22 GLN 81 2.894 8.661 -7.680 637 HE22 GLN 81 HE21 GLN 81 4.459 7.885 -7.782 638 H TYR 82 H TYR 82 6.257 11.477 -12.104 639 HA TYR 82 HA TYR 82 5.570 13.901 -13.680 640 HB2 TYR 82 HB2 TYR 82 7.562 14.117 -12.401 641 HB3 TYR 82 HB3 TYR 82 8.077 12.467 -12.801 642 HD1 TYR 82 HD2 TYR 82 7.539 15.816 -14.404 643 HD2 TYR 82 HD1 TYR 82 9.482 11.997 -14.536 644 HE1 TYR 82 HE2 TYR 82 8.997 16.634 -16.244 645 HE2 TYR 82 HE1 TYR 82 11.017 12.826 -16.326 646 HH TYR 82 HH TYR 82 11.553 14.583 -17.695 647 H ARG 83 H ARG 83 7.184 10.692 -14.151 648 HA ARG 83 HA ARG 83 6.965 11.188 -17.054 649 HB2 ARG 83 HB2 ARG 83 8.479 9.591 -17.493 650 HB3 ARG 83 HB3 ARG 83 9.114 10.360 -16.065 651 HG2 ARG 83 HG2 ARG 83 7.592 7.719 -15.972 652 HG3 ARG 83 HG3 ARG 83 9.333 7.842 -16.235 653 HD2 ARG 83 HD2 ARG 83 8.932 9.441 -13.982 654 HD3 ARG 83 HD3 ARG 83 7.834 8.052 -13.759 655 HE ARG 83 HE ARG 83 9.689 6.571 -13.775 656 HH11 ARG 83 HH11 ARG 83 10.656 9.959 -14.005 657 HH12 ARG 83 HH12 ARG 83 12.329 9.628 -13.601 658 HH21 ARG 83 HH21 ARG 83 11.869 6.182 -13.221 659 HH22 ARG 83 HH22 ARG 83 12.987 7.514 -13.080 660 H LEU 84 H LEU 84 5.113 10.051 -14.630 661 HA LEU 84 HA LEU 84 3.445 8.179 -16.141 662 HB2 LEU 84 HB2 LEU 84 3.254 8.103 -13.762 663 HB3 LEU 84 HB3 LEU 84 3.191 9.830 -13.603 664 HG LEU 84 HG LEU 84 0.937 9.924 -14.537 665 HD11 LEU 84 HD11 LEU 84 -0.350 7.867 -14.934 666 HD12 LEU 84 HD12 LEU 84 0.999 7.968 -16.068 667 HD13 LEU 84 HD13 LEU 84 1.120 6.886 -14.665 668 HD21 LEU 84 HD21 LEU 84 -0.161 8.888 -12.615 669 HD22 LEU 84 HD22 LEU 84 1.257 7.847 -12.336 670 HD23 LEU 84 HD23 LEU 84 1.389 9.594 -12.105 671 H GLU 85 H GLU 85 3.694 11.713 -15.587 672 HA GLU 85 HA GLU 85 1.014 12.073 -16.743 673 HB2 GLU 85 HB2 GLU 85 0.938 14.055 -15.638 674 HB3 GLU 85 HB3 GLU 85 2.041 13.141 -14.588 675 HG2 GLU 85 HG2 GLU 85 3.968 14.249 -15.600 676 HG3 GLU 85 HG3 GLU 85 2.909 15.076 -16.760 677 H LEU 86 H LEU 86 4.377 12.489 -17.688 678 HA LEU 86 HA LEU 86 3.673 14.355 -19.824 679 HB2 LEU 86 HB2 LEU 86 5.971 14.510 -20.201 680 HB3 LEU 86 HB3 LEU 86 5.805 14.258 -18.453 681 HG LEU 86 HG LEU 86 6.235 11.723 -19.052 682 HD11 LEU 86 HD11 LEU 86 7.541 13.210 -21.385 683 HD12 LEU 86 HD12 LEU 86 7.767 11.494 -20.987 684 HD13 LEU 86 HD13 LEU 86 6.192 12.068 -21.553 685 HD21 LEU 86 HD21 LEU 86 7.701 13.199 -17.695 686 HD22 LEU 86 HD22 LEU 86 8.644 12.149 -18.762 687 HD23 LEU 86 HD23 LEU 86 8.413 13.857 -19.185 688 H ALA 87 H ALA 87 4.315 10.881 -19.424 689 HA ALA 87 HA ALA 87 4.540 10.092 -22.059 690 HB1 ALA 87 HB1 ALA 87 3.365 8.751 -19.577 691 HB2 ALA 87 HB2 ALA 87 3.813 7.877 -21.059 692 HB3 ALA 87 HB3 ALA 87 5.057 8.712 -20.102 693 H GLN 88 H GLN 88 1.576 9.923 -19.965 694 HA GLN 88 HA GLN 88 -0.271 9.287 -22.011 695 HB2 GLN 88 HB2 GLN 88 -1.964 10.155 -20.450 696 HB3 GLN 88 HB3 GLN 88 -0.854 8.891 -19.829 697 HG2 GLN 88 HG2 GLN 88 0.479 10.580 -18.704 698 HG3 GLN 88 HG3 GLN 88 -0.506 11.871 -19.389 699 HE21 GLN 88 HE22 GLN 88 -0.056 9.723 -16.776 700 HE22 GLN 88 HE21 GLN 88 -1.585 9.933 -15.956 701 H GLY 89 H GLY 89 1.287 12.292 -21.281 702 HA2 GLY 89 HA2 GLY 89 -0.719 13.891 -22.767 703 HA3 GLY 89 HA3 GLY 89 0.668 14.498 -21.823 704 H ALA 90 H ALA 90 1.465 11.784 -23.727 705 HA ALA 90 HA ALA 90 2.410 13.402 -26.044 706 HB1 ALA 90 HB1 ALA 90 4.027 11.489 -24.349 707 HB2 ALA 90 HB2 ALA 90 4.616 12.356 -25.781 708 HB3 ALA 90 HB3 ALA 90 4.199 13.275 -24.301 709 H VAL 91 H VAL 91 1.283 10.361 -24.659 710 HA VAL 91 HA VAL 91 2.478 8.355 -26.077 711 HB VAL 91 HB VAL 91 -0.410 8.566 -25.865 712 HG11 VAL 91 HG11 VAL 91 1.546 6.243 -25.536 713 HG12 VAL 91 HG12 VAL 91 -0.228 6.082 -25.452 714 HG13 VAL 91 HG13 VAL 91 0.541 6.558 -26.986 715 HG21 VAL 91 HG21 VAL 91 0.237 9.282 -23.808 716 HG22 VAL 91 HG22 VAL 91 -0.378 7.624 -23.633 717 HG23 VAL 91 HG23 VAL 91 1.389 7.899 -23.576 718 H GLY 92 H GLY 92 -0.311 10.175 -27.144 719 HA2 GLY 92 HA2 GLY 92 0.237 9.604 -29.997 720 HA3 GLY 92 HA3 GLY 92 -1.301 9.048 -29.285 721 H SER 93 H SER 93 0.114 12.008 -28.090 722 HA SER 93 HA SER 93 -2.182 13.590 -28.618 723 HB2 SER 93 HB2 SER 93 0.679 14.439 -28.024 724 HB3 SER 93 HB3 SER 93 -0.777 15.437 -27.825 725 HG SER 93 HG SER 93 -0.127 14.433 -25.873 726 H VAL 94 H VAL 94 -2.033 15.750 -29.703 727 HA VAL 94 HA VAL 94 -2.291 16.824 -31.657 728 HB VAL 94 HB VAL 94 0.598 16.022 -32.059 729 HG11 VAL 94 HG11 VAL 94 0.632 18.074 -33.471 730 HG12 VAL 94 HG12 VAL 94 -0.536 16.893 -34.103 731 HG13 VAL 94 HG13 VAL 94 -1.116 18.284 -33.184 732 HG21 VAL 94 HG21 VAL 94 0.224 17.146 -29.896 733 HG22 VAL 94 HG22 VAL 94 1.062 18.225 -31.028 734 HG23 VAL 94 HG23 VAL 94 -0.678 18.441 -30.711 735 H GLN 95 H GLN 95 -3.825 15.897 -32.812 736 HA GLN 95 HA GLN 95 -3.349 13.555 -34.430 737 HB2 GLN 95 HB2 GLN 95 -5.643 15.560 -34.412 738 HB3 GLN 95 HB3 GLN 95 -5.634 13.931 -35.107 739 HG2 GLN 95 HG2 GLN 95 -5.483 14.737 -32.172 740 HG3 GLN 95 HG3 GLN 95 -6.769 13.816 -32.958 741 HE21 GLN 95 HE22 GLN 95 -4.307 13.496 -30.848 742 HE22 GLN 95 HE21 GLN 95 -3.790 11.853 -31.170 743 H ILE 96 H ILE 96 -3.533 13.506 -36.713 744 HA ILE 96 HA ILE 96 -2.577 14.067 -38.704 745 HB ILE 96 HB ILE 96 -4.038 15.622 -39.947 746 HG12 ILE 96 HG12 ILE 96 -5.433 16.062 -37.268 747 HG13 ILE 96 HG13 ILE 96 -4.420 17.266 -38.088 748 HG21 ILE 96 HG21 ILE 96 -5.527 13.736 -38.086 749 HG22 ILE 96 HG22 ILE 96 -6.024 14.248 -39.715 750 HG23 ILE 96 HG23 ILE 96 -4.584 13.233 -39.513 751 HD11 ILE 96 HD11 ILE 96 -6.760 17.712 -38.570 752 HD12 ILE 96 HD12 ILE 96 -5.944 17.184 -40.055 753 HD13 ILE 96 HD13 ILE 96 -7.002 16.064 -39.167 754 HA PRO 97 HA PRO 97 -0.079 17.894 -37.434 755 HB2 PRO 97 HB2 PRO 97 2.341 16.650 -37.009 756 HB3 PRO 97 HB3 PRO 97 1.140 16.944 -35.713 757 HG2 PRO 97 HG2 PRO 97 1.531 14.410 -37.339 758 HG3 PRO 97 HG3 PRO 97 1.405 14.578 -35.553 759 HD2 PRO 97 HD2 PRO 97 -0.769 13.893 -36.994 760 HD3 PRO 97 HD3 PRO 97 -0.899 15.094 -35.677 761 H VAL 98 H VAL 98 1.762 18.694 -38.726 762 HA VAL 98 HA VAL 98 1.583 17.716 -41.473 763 HB VAL 98 HB VAL 98 3.251 20.013 -40.402 764 HG11 VAL 98 HG11 VAL 98 2.026 19.420 -43.139 765 HG12 VAL 98 HG12 VAL 98 2.946 20.879 -42.720 766 HG13 VAL 98 HG13 VAL 98 3.757 19.305 -42.738 767 HG21 VAL 98 HG21 VAL 98 0.909 20.376 -39.716 768 HG22 VAL 98 HG22 VAL 98 1.326 21.468 -41.045 769 HG23 VAL 98 HG23 VAL 98 0.364 20.011 -41.371 770 H VAL 99 H VAL 99 2.507 15.673 -40.280 771 HA VAL 99 HA VAL 99 5.325 15.572 -39.894 772 HB VAL 99 HB VAL 99 3.414 14.278 -38.776 773 HG11 VAL 99 HG11 VAL 99 2.565 12.264 -39.839 774 HG12 VAL 99 HG12 VAL 99 2.210 13.674 -40.860 775 HG13 VAL 99 HG13 VAL 99 3.536 12.572 -41.294 776 HG21 VAL 99 HG21 VAL 99 5.747 13.686 -38.485 777 HG22 VAL 99 HG22 VAL 99 4.664 12.263 -38.445 778 HG23 VAL 99 HG23 VAL 99 5.659 12.591 -39.893 779 H GLU 100 H GLU 100 4.429 16.489 -42.467 780 HA GLU 100 HA GLU 100 4.705 14.655 -44.571 781 HB2 GLU 100 HB2 GLU 100 3.764 16.939 -44.707 782 HB3 GLU 100 HB3 GLU 100 5.388 17.631 -44.448 783 HG2 GLU 100 HG2 GLU 100 6.225 16.701 -46.481 784 HG3 GLU 100 HG3 GLU 100 4.722 15.761 -46.649 785 H VAL 101 H VAL 101 6.360 14.023 -45.853 786 HA VAL 101 HA VAL 101 9.120 14.990 -45.332 787 HB VAL 101 HB VAL 101 8.383 12.067 -45.634 788 HG11 VAL 101 HG11 VAL 101 10.771 11.712 -45.072 789 HG12 VAL 101 HG12 VAL 101 10.592 12.673 -46.551 790 HG13 VAL 101 HG13 VAL 101 11.028 13.471 -45.019 791 HG21 VAL 101 HG21 VAL 101 7.692 12.868 -43.420 792 HG22 VAL 101 HG22 VAL 101 9.134 11.834 -43.275 793 HG23 VAL 101 HG23 VAL 101 9.297 13.603 -43.165 794 H ASP 102 H ASP 102 10.090 15.486 -47.211 795 HA ASP 102 HA ASP 102 9.450 14.076 -49.677 796 HB2 ASP 102 HB2 ASP 102 7.599 15.738 -49.437 797 HB3 ASP 102 HB3 ASP 102 8.788 17.038 -49.317 798 H GLU 103 H GLU 103 11.709 14.647 -47.879 799 HA GLU 103 HA GLU 103 13.451 16.542 -49.183 800 HB2 GLU 103 HB2 GLU 103 13.430 15.590 -46.725 801 HB3 GLU 103 HB3 GLU 103 14.287 14.208 -47.391 802 HG2 GLU 103 HG2 GLU 103 16.099 15.641 -48.207 803 HG3 GLU 103 HG3 GLU 103 15.237 17.074 -47.610 804 H LEU 104 H LEU 104 12.469 13.553 -49.767 805 HA LEU 104 HA LEU 104 14.522 12.788 -51.787 806 HB2 LEU 104 HB2 LEU 104 13.660 11.337 -49.281 807 HB3 LEU 104 HB3 LEU 104 14.337 10.436 -50.670 808 HG LEU 104 HG LEU 104 15.958 12.730 -49.729 809 HD11 LEU 104 HD11 LEU 104 17.043 11.238 -48.057 810 HD12 LEU 104 HD12 LEU 104 15.364 11.603 -47.592 811 HD13 LEU 104 HD13 LEU 104 15.765 10.025 -48.318 812 HD21 LEU 104 HD21 LEU 104 16.374 11.240 -51.715 813 HD22 LEU 104 HD22 LEU 104 17.636 10.955 -50.463 814 HD23 LEU 104 HD23 LEU 104 16.240 9.846 -50.638 815 HA PRO 105 HA PRO 105 11.305 10.795 -54.145 816 HB2 PRO 105 HB2 PRO 105 12.970 8.314 -53.606 817 HB3 PRO 105 HB3 PRO 105 12.247 8.848 -55.162 818 HG2 PRO 105 HG2 PRO 105 14.839 9.328 -54.774 819 HG3 PRO 105 HG3 PRO 105 13.798 10.697 -55.306 820 HD2 PRO 105 HD2 PRO 105 14.622 9.984 -52.473 821 HD3 PRO 105 HD3 PRO 105 14.780 11.575 -53.249 822 H GLU 106 H GLU 106 9.652 9.064 -54.045 823 HA GLU 106 HA GLU 106 8.621 8.901 -51.350 824 HB2 GLU 106 HB2 GLU 106 7.371 9.382 -53.555 825 HB3 GLU 106 HB3 GLU 106 7.436 7.635 -53.849 826 HG2 GLU 106 HG2 GLU 106 6.197 7.246 -51.735 827 HG3 GLU 106 HG3 GLU 106 6.232 8.984 -51.392 828 H GLY 107 H GLY 107 11.060 7.213 -52.275 829 HA2 GLY 107 HA2 GLY 107 10.494 4.897 -50.725 830 HA3 GLY 107 HA3 GLY 107 10.302 4.492 -52.441 831 H TYR 108 H TYR 108 12.770 6.816 -51.040 832 HA TYR 108 HA TYR 108 14.861 5.900 -52.550 833 HB2 TYR 108 HB2 TYR 108 14.365 7.972 -51.116 834 HB3 TYR 108 HB3 TYR 108 14.968 7.040 -49.741 835 HD1 TYR 108 HD2 TYR 108 15.744 8.486 -53.021 836 HD2 TYR 108 HD1 TYR 108 17.397 6.696 -49.484 837 HE1 TYR 108 HE2 TYR 108 17.874 9.570 -53.502 838 HE2 TYR 108 HE1 TYR 108 19.649 7.525 -50.113 839 HH TYR 108 HH TYR 108 20.856 8.856 -51.563 840 H ASP 109 H ASP 109 16.866 4.957 -51.820 841 HA ASP 109 HA ASP 109 16.888 3.422 -49.353 842 HB2 ASP 109 HB2 ASP 109 15.913 1.849 -51.058 843 HB3 ASP 109 HB3 ASP 109 17.380 2.037 -52.030 844 H ARG 110 H ARG 110 19.180 2.467 -49.065 845 HA ARG 110 HA ARG 110 21.234 4.140 -50.374 846 HB2 ARG 110 HB2 ARG 110 21.974 5.166 -48.373 847 HB3 ARG 110 HB3 ARG 110 20.236 5.442 -48.485 848 HG2 ARG 110 HG2 ARG 110 21.645 3.398 -46.722 849 HG3 ARG 110 HG3 ARG 110 20.867 4.899 -46.201 850 HD2 ARG 110 HD2 ARG 110 18.676 3.992 -47.051 851 HD3 ARG 110 HD3 ARG 110 19.504 2.454 -47.390 852 HE ARG 110 HE ARG 110 19.763 3.427 -44.638 853 HH11 ARG 110 HH11 ARG 110 17.977 1.391 -46.924 854 HH12 ARG 110 HH12 ARG 110 17.302 0.383 -45.667 855 HH21 ARG 110 HH21 ARG 110 18.874 2.066 -43.029 856 HH22 ARG 110 HH22 ARG 110 17.815 0.751 -43.476 857 H SER 111 H SER 111 20.346 1.113 -49.385 858 HA SER 111 HA SER 111 23.117 0.171 -49.363 859 HB2 SER 111 HB2 SER 111 22.701 0.732 -46.987 860 HB3 SER 111 HB3 SER 111 21.257 -0.294 -46.994 861 HG SER 111 HG SER 111 22.583 -2.065 -47.428 862 H1 ALA 701 H1 ALA 701 19.855 18.727 -16.639 863 H2 ALA 701 H2 ALA 701 20.315 17.240 -17.166 864 H3 ALA 701 H3 ALA 701 21.235 18.040 -16.054 865 HA ALA 701 HA ALA 701 18.504 17.049 -15.637 866 HB1 ALA 701 HB1 ALA 701 21.157 16.049 -14.532 867 HB2 ALA 701 HB2 ALA 701 19.543 15.445 -14.072 868 HB3 ALA 701 HB3 ALA 701 20.142 15.212 -15.724 869 H ASP 702 H ASP 702 17.450 17.749 -13.861 870 HA ASP 702 HA ASP 702 18.927 19.149 -11.741 871 HB2 ASP 702 HB2 ASP 702 18.331 20.862 -13.494 872 HB3 ASP 702 HB3 ASP 702 16.625 20.449 -13.261 873 H THR 703 H THR 703 17.256 16.678 -12.277 874 HA THR 703 HA THR 703 15.713 16.706 -9.791 875 HB THR 703 HB THR 703 14.095 17.775 -11.227 876 HG1 THR 703 HG1 THR 703 12.496 16.258 -10.960 877 HG21 THR 703 HG21 THR 703 13.256 16.617 -13.255 878 HG22 THR 703 HG22 THR 703 14.968 17.077 -13.409 879 HG23 THR 703 HG23 THR 703 14.537 15.389 -13.070 880 H GLU 704 H GLU 704 15.109 14.625 -9.134 881 HA GLU 704 HA GLU 704 16.939 12.576 -10.012 882 HB2 GLU 704 HB2 GLU 704 15.854 11.231 -8.272 883 HB3 GLU 704 HB3 GLU 704 16.300 12.843 -7.683 884 HG2 GLU 704 HG2 GLU 704 13.947 13.600 -8.140 885 HG3 GLU 704 HG3 GLU 704 13.519 11.928 -8.525 886 H MET 705 H MET 705 13.732 13.454 -11.101 887 HA MET 705 HA MET 705 13.115 10.815 -12.113 888 HB2 MET 705 HB2 MET 705 11.480 12.027 -13.578 889 HB3 MET 705 HB3 MET 705 11.320 12.135 -11.823 890 HG2 MET 705 HG2 MET 705 12.809 14.331 -12.184 891 HG3 MET 705 HG3 MET 705 12.185 14.245 -13.826 892 HE1 MET 705 HE1 MET 705 11.128 13.646 -10.250 893 HE2 MET 705 HE2 MET 705 9.492 14.357 -10.091 894 HE3 MET 705 HE3 MET 705 9.749 12.876 -11.059 895 H GLU 706 H GLU 706 15.290 13.352 -13.059 896 HA GLU 706 HA GLU 706 15.464 12.337 -15.818 897 HB2 GLU 706 HB2 GLU 706 15.684 14.835 -14.875 898 HB3 GLU 706 HB3 GLU 706 17.394 14.375 -14.771 899 HG2 GLU 706 HG2 GLU 706 17.219 13.600 -17.185 900 HG3 GLU 706 HG3 GLU 706 15.543 14.177 -17.190 901 H GLU 707 H GLU 707 16.187 11.112 -13.048 902 HA GLU 707 HA GLU 707 18.609 9.659 -13.966 903 HB2 GLU 707 HB2 GLU 707 17.881 10.640 -11.171 904 HB3 GLU 707 HB3 GLU 707 19.085 9.386 -11.471 905 HG2 GLU 707 HG2 GLU 707 19.174 12.224 -12.571 906 HG3 GLU 707 HG3 GLU 707 20.088 11.636 -11.181 907 H VAL 708 H VAL 708 18.467 7.454 -12.284 908 HA VAL 708 HA VAL 708 15.931 6.487 -13.428 909 HB VAL 708 HB VAL 708 16.828 4.390 -13.676 910 HG11 VAL 708 HG11 VAL 708 18.868 4.847 -14.976 911 HG12 VAL 708 HG12 VAL 708 17.645 6.123 -15.232 912 HG13 VAL 708 HG13 VAL 708 19.061 6.403 -14.178 913 HG21 VAL 708 HG21 VAL 708 18.065 3.855 -11.674 914 HG22 VAL 708 HG22 VAL 708 19.196 3.851 -13.028 915 HG23 VAL 708 HG23 VAL 708 19.155 5.256 -11.927 916 H ASP 709 H ASP 709 17.694 5.160 -10.518 917 HA ASP 709 HA ASP 709 15.059 4.462 -9.480 918 HB2 ASP 709 HB2 ASP 709 16.288 3.277 -7.734 919 HB3 ASP 709 HB3 ASP 709 16.696 2.759 -9.354 Start of MODEL 18 1 H1 SER 2 H1 SER 2 24.501 -6.049 -1.999 2 H2 SER 2 H2 SER 2 23.575 -5.215 -0.925 3 H3 SER 2 H3 SER 2 23.512 -4.841 -2.523 4 HA SER 2 HA SER 2 22.638 -7.357 -1.309 5 HB2 SER 2 HB2 SER 2 20.373 -6.646 -1.878 6 HB3 SER 2 HB3 SER 2 21.150 -5.452 -0.819 7 HG SER 2 HG SER 2 20.109 -4.467 -2.596 8 H GLN 3 H GLN 3 20.591 -7.458 -3.502 9 HA GLN 3 HA GLN 3 22.302 -8.177 -5.816 10 HB2 GLN 3 HB2 GLN 3 20.257 -9.963 -4.432 11 HB3 GLN 3 HB3 GLN 3 21.032 -10.330 -5.981 12 HG2 GLN 3 HG2 GLN 3 22.475 -9.972 -3.321 13 HG3 GLN 3 HG3 GLN 3 22.102 -11.514 -4.083 14 HE21 GLN 3 HE22 GLN 3 24.745 -10.644 -3.383 15 HE22 GLN 3 HE21 GLN 3 25.658 -10.480 -4.869 16 H PHE 4 H PHE 4 21.047 -5.879 -5.906 17 HA PHE 4 HA PHE 4 18.759 -6.249 -7.746 18 HB2 PHE 4 HB2 PHE 4 17.637 -6.109 -5.584 19 HB3 PHE 4 HB3 PHE 4 18.703 -4.809 -5.061 20 HD1 PHE 4 HD2 PHE 4 18.483 -2.475 -6.117 21 HD2 PHE 4 HD1 PHE 4 15.645 -5.645 -6.831 22 HE1 PHE 4 HE2 PHE 4 16.777 -0.813 -6.699 23 HE2 PHE 4 HE1 PHE 4 13.952 -3.966 -7.476 24 HZ PHE 4 HZ PHE 4 14.520 -1.533 -7.409 25 H GLU 5 H GLU 5 20.895 -4.203 -5.821 26 HA GLU 5 HA GLU 5 21.007 -1.828 -7.146 27 HB2 GLU 5 HB2 GLU 5 23.202 -3.597 -6.043 28 HB3 GLU 5 HB3 GLU 5 23.421 -1.888 -6.381 29 HG2 GLU 5 HG2 GLU 5 21.670 -1.260 -4.805 30 HG3 GLU 5 HG3 GLU 5 21.300 -2.959 -4.469 31 H LYS 6 H LYS 6 22.912 -4.871 -8.081 32 HA LYS 6 HA LYS 6 24.351 -3.302 -9.975 33 HB2 LYS 6 HB2 LYS 6 24.071 -6.207 -9.297 34 HB3 LYS 6 HB3 LYS 6 24.716 -5.800 -10.882 35 HG2 LYS 6 HG2 LYS 6 26.590 -5.985 -9.425 36 HG3 LYS 6 HG3 LYS 6 26.376 -4.265 -9.833 37 HD2 LYS 6 HD2 LYS 6 26.939 -4.518 -7.466 38 HD3 LYS 6 HD3 LYS 6 25.295 -3.885 -7.630 39 HE2 LYS 6 HE2 LYS 6 24.370 -6.137 -7.237 40 HE3 LYS 6 HE3 LYS 6 26.005 -6.817 -7.179 41 HZ1 LYS 6 HZ1 LYS 6 26.434 -5.490 -5.239 42 HZ2 LYS 6 HZ2 LYS 6 24.941 -4.812 -5.302 43 HZ3 LYS 6 HZ3 LYS 6 25.097 -6.416 -4.988 44 H GLN 7 H GLN 7 21.506 -5.520 -10.231 45 HA GLN 7 HA GLN 7 21.245 -5.350 -13.047 46 HB2 GLN 7 HB2 GLN 7 19.133 -5.818 -10.917 47 HB3 GLN 7 HB3 GLN 7 19.078 -6.297 -12.633 48 HG2 GLN 7 HG2 GLN 7 21.309 -7.521 -12.184 49 HG3 GLN 7 HG3 GLN 7 20.969 -7.294 -10.456 50 HE21 GLN 7 HE22 GLN 7 19.352 -8.386 -13.489 51 HE22 GLN 7 HE21 GLN 7 18.540 -9.742 -12.736 52 H LYS 8 H LYS 8 20.937 -2.877 -10.680 53 HA LYS 8 HA LYS 8 18.887 -1.362 -12.208 54 HB2 LYS 8 HB2 LYS 8 18.588 -1.727 -9.808 55 HB3 LYS 8 HB3 LYS 8 20.195 -1.086 -9.469 56 HG2 LYS 8 HG2 LYS 8 19.528 1.138 -10.256 57 HG3 LYS 8 HG3 LYS 8 17.941 0.487 -10.767 58 HD2 LYS 8 HD2 LYS 8 17.684 1.466 -8.533 59 HD3 LYS 8 HD3 LYS 8 17.541 -0.293 -8.461 60 HE2 LYS 8 HE2 LYS 8 18.913 0.341 -6.610 61 HE3 LYS 8 HE3 LYS 8 19.977 -0.385 -7.801 62 HZ1 LYS 8 HZ1 LYS 8 20.623 1.846 -8.492 63 HZ2 LYS 8 HZ2 LYS 8 19.573 2.518 -7.429 64 HZ3 LYS 8 HZ3 LYS 8 20.866 1.670 -6.881 65 H GLU 9 H GLU 9 22.167 -1.227 -10.836 66 HA GLU 9 HA GLU 9 22.805 1.390 -11.874 67 HB2 GLU 9 HB2 GLU 9 24.480 -0.801 -10.611 68 HB3 GLU 9 HB3 GLU 9 25.009 0.879 -10.861 69 HG2 GLU 9 HG2 GLU 9 22.452 0.186 -9.370 70 HG3 GLU 9 HG3 GLU 9 24.006 0.215 -8.550 71 H GLN 10 H GLN 10 23.357 -1.974 -12.893 72 HA GLN 10 HA GLN 10 25.384 -1.347 -14.836 73 HB2 GLN 10 HB2 GLN 10 24.596 -3.683 -13.918 74 HB3 GLN 10 HB3 GLN 10 23.303 -3.548 -15.117 75 HG2 GLN 10 HG2 GLN 10 25.481 -2.956 -16.673 76 HG3 GLN 10 HG3 GLN 10 26.225 -4.030 -15.475 77 HE21 GLN 10 HE22 GLN 10 23.515 -3.698 -17.793 78 HE22 GLN 10 HE21 GLN 10 23.326 -5.403 -18.128 79 H GLY 11 H GLY 11 21.863 -1.225 -14.906 80 HA2 GLY 11 HA2 GLY 11 21.866 -0.452 -17.773 81 HA3 GLY 11 HA3 GLY 11 20.453 -0.763 -16.749 82 H ASN 12 H ASN 12 21.941 0.991 -14.592 83 HA ASN 12 HA ASN 12 20.560 3.417 -14.967 84 HB2 ASN 12 HB2 ASN 12 21.433 2.429 -12.858 85 HB3 ASN 12 HB3 ASN 12 23.090 2.722 -13.432 86 HD21 ASN 12 HD22 ASN 12 22.344 3.436 -10.984 87 HD22 ASN 12 HD21 ASN 12 22.353 5.159 -10.848 88 H SER 13 H SER 13 23.795 2.324 -16.085 89 HA SER 13 HA SER 13 24.400 5.052 -17.008 90 HB2 SER 13 HB2 SER 13 26.484 4.076 -17.793 91 HB3 SER 13 HB3 SER 13 26.167 3.645 -16.099 92 HG SER 13 HG SER 13 26.828 1.833 -17.344 93 H LEU 14 H LEU 14 23.436 1.870 -18.430 94 HA LEU 14 HA LEU 14 23.660 2.434 -21.170 95 HB2 LEU 14 HB2 LEU 14 21.643 0.801 -19.652 96 HB3 LEU 14 HB3 LEU 14 21.951 0.746 -21.388 97 HG LEU 14 HG LEU 14 23.643 -0.219 -19.108 98 HD11 LEU 14 HD11 LEU 14 23.197 -0.942 -21.990 99 HD12 LEU 14 HD12 LEU 14 23.989 -2.001 -20.769 100 HD13 LEU 14 HD13 LEU 14 22.244 -1.595 -20.612 101 HD21 LEU 14 HD21 LEU 14 25.278 1.333 -20.167 102 HD22 LEU 14 HD22 LEU 14 25.660 -0.357 -20.525 103 HD23 LEU 14 HD23 LEU 14 24.872 0.640 -21.765 104 H PHE 15 H PHE 15 20.994 3.205 -18.873 105 HA PHE 15 HA PHE 15 19.098 4.114 -20.763 106 HB2 PHE 15 HB2 PHE 15 18.343 3.709 -18.594 107 HB3 PHE 15 HB3 PHE 15 19.700 4.565 -17.852 108 HD1 PHE 15 HD2 PHE 15 16.644 5.190 -19.929 109 HD2 PHE 15 HD1 PHE 15 19.475 6.763 -17.097 110 HE1 PHE 15 HE2 PHE 15 15.242 7.206 -19.642 111 HE2 PHE 15 HE1 PHE 15 17.971 8.661 -16.640 112 HZ PHE 15 HZ PHE 15 15.890 8.947 -17.970 113 H LYS 16 H LYS 16 22.004 5.635 -19.482 114 HA LYS 16 HA LYS 16 21.070 8.277 -20.281 115 HB2 LYS 16 HB2 LYS 16 23.832 7.624 -19.262 116 HB3 LYS 16 HB3 LYS 16 22.869 9.113 -19.036 117 HG2 LYS 16 HG2 LYS 16 21.305 7.823 -17.588 118 HG3 LYS 16 HG3 LYS 16 22.318 6.382 -17.836 119 HD2 LYS 16 HD2 LYS 16 22.984 7.252 -15.767 120 HD3 LYS 16 HD3 LYS 16 24.276 7.697 -16.895 121 HE2 LYS 16 HE2 LYS 16 23.240 9.969 -17.123 122 HE3 LYS 16 HE3 LYS 16 21.955 9.474 -16.002 123 HZ1 LYS 16 HZ1 LYS 16 24.815 9.628 -15.334 124 HZ2 LYS 16 HZ2 LYS 16 23.660 10.713 -14.888 125 HZ3 LYS 16 HZ3 LYS 16 23.605 9.180 -14.308 126 H GLN 17 H GLN 17 22.453 5.697 -21.966 127 HA GLN 17 HA GLN 17 24.459 7.295 -23.445 128 HB2 GLN 17 HB2 GLN 17 23.845 4.325 -23.162 129 HB3 GLN 17 HB3 GLN 17 24.968 4.959 -24.369 130 HG2 GLN 17 HG2 GLN 17 26.189 6.151 -22.515 131 HG3 GLN 17 HG3 GLN 17 25.205 5.240 -21.357 132 HE21 GLN 17 HE22 GLN 17 25.086 2.718 -22.222 133 HE22 GLN 17 HE21 GLN 17 26.669 2.013 -22.445 134 H GLY 18 H GLY 18 21.251 5.918 -23.803 135 HA2 GLY 18 HA2 GLY 18 20.292 6.963 -26.040 136 HA3 GLY 18 HA3 GLY 18 21.578 5.883 -26.736 137 H LEU 19 H LEU 19 21.243 3.912 -24.655 138 HA LEU 19 HA LEU 19 19.266 2.462 -26.300 139 HB2 LEU 19 HB2 LEU 19 20.721 0.504 -25.332 140 HB3 LEU 19 HB3 LEU 19 21.057 1.357 -26.818 141 HG LEU 19 HG LEU 19 22.673 2.841 -25.317 142 HD11 LEU 19 HD11 LEU 19 22.351 0.339 -23.615 143 HD12 LEU 19 HD12 LEU 19 23.445 1.706 -23.297 144 HD13 LEU 19 HD13 LEU 19 21.672 1.923 -23.198 145 HD21 LEU 19 HD21 LEU 19 24.456 1.141 -25.516 146 HD22 LEU 19 HD22 LEU 19 23.230 -0.115 -25.811 147 HD23 LEU 19 HD23 LEU 19 23.462 1.198 -26.988 148 H TYR 20 H TYR 20 17.904 3.669 -24.897 149 HA TYR 20 HA TYR 20 17.376 3.328 -22.222 150 HB2 TYR 20 HB2 TYR 20 15.374 3.393 -24.495 151 HB3 TYR 20 HB3 TYR 20 15.095 4.045 -22.900 152 HD1 TYR 20 HD1 TYR 20 17.406 5.588 -22.208 153 HD2 TYR 20 HD2 TYR 20 15.576 5.118 -26.070 154 HE1 TYR 20 HE1 TYR 20 18.395 7.751 -22.937 155 HE2 TYR 20 HE2 TYR 20 16.561 7.277 -26.805 156 HH TYR 20 HH TYR 20 18.602 9.273 -24.640 157 H ARG 21 H ARG 21 16.489 1.111 -24.936 158 HA ARG 21 HA ARG 21 14.751 -0.524 -23.272 159 HB2 ARG 21 HB2 ARG 21 15.084 -0.140 -25.957 160 HB3 ARG 21 HB3 ARG 21 16.122 -1.552 -25.748 161 HG2 ARG 21 HG2 ARG 21 13.167 -1.259 -25.235 162 HG3 ARG 21 HG3 ARG 21 14.008 -2.353 -26.360 163 HD2 ARG 21 HD2 ARG 21 14.936 -3.585 -24.343 164 HD3 ARG 21 HD3 ARG 21 13.950 -2.511 -23.325 165 HE ARG 21 HE ARG 21 12.053 -3.688 -23.894 166 HH11 ARG 21 HH11 ARG 21 14.682 -4.636 -26.070 167 HH12 ARG 21 HH12 ARG 21 13.775 -5.962 -26.763 168 HH21 ARG 21 HH21 ARG 21 10.913 -5.436 -24.814 169 HH22 ARG 21 HH22 ARG 21 11.664 -6.417 -26.049 170 H GLU 22 H GLU 22 18.129 -0.751 -24.448 171 HA GLU 22 HA GLU 22 18.705 -3.313 -23.347 172 HB2 GLU 22 HB2 GLU 22 20.536 -0.936 -23.698 173 HB3 GLU 22 HB3 GLU 22 21.038 -2.623 -23.474 174 HG2 GLU 22 HG2 GLU 22 19.289 -1.609 -25.767 175 HG3 GLU 22 HG3 GLU 22 21.024 -1.916 -25.841 176 H ALA 23 H ALA 23 18.517 -0.079 -21.997 177 HA ALA 23 HA ALA 23 19.720 -0.646 -19.447 178 HB1 ALA 23 HB1 ALA 23 19.439 1.618 -20.534 179 HB2 ALA 23 HB2 ALA 23 17.712 1.538 -20.167 180 HB3 ALA 23 HB3 ALA 23 18.882 1.535 -18.840 181 H VAL 24 H VAL 24 16.305 -0.773 -20.715 182 HA VAL 24 HA VAL 24 15.179 -1.138 -18.151 183 HB VAL 24 HB VAL 24 13.219 -1.241 -19.146 184 HG11 VAL 24 HG11 VAL 24 14.550 0.789 -19.974 185 HG12 VAL 24 HG12 VAL 24 14.339 0.038 -21.586 186 HG13 VAL 24 HG13 VAL 24 12.921 0.448 -20.620 187 HG21 VAL 24 HG21 VAL 24 13.059 -3.157 -20.140 188 HG22 VAL 24 HG22 VAL 24 12.588 -1.956 -21.353 189 HG23 VAL 24 HG23 VAL 24 14.204 -2.756 -21.455 190 H HIS 25 H HIS 25 16.517 -2.983 -20.639 191 HA HIS 25 HA HIS 25 15.442 -5.515 -20.238 192 HB2 HIS 25 HB2 HIS 25 17.114 -4.300 -21.978 193 HB3 HIS 25 HB3 HIS 25 18.288 -5.272 -21.148 194 HD2 HIS 25 HD2 HIS 25 16.609 -5.281 -24.153 195 HE1 HIS 25 HE1 HIS 25 15.708 -9.279 -23.033 196 HE2 HIS 25 HE2 HIS 25 15.767 -7.638 -24.972 197 H CYS 26 H CYS 26 17.387 -3.750 -18.119 198 HA CYS 26 HA CYS 26 18.145 -6.214 -16.608 199 HB2 CYS 26 HB2 CYS 26 19.513 -3.493 -16.659 200 HB3 CYS 26 HB3 CYS 26 19.975 -4.870 -15.634 201 HG CYS 26 HG CYS 26 19.800 -4.711 -18.933 202 H TYR 27 H TYR 27 16.794 -2.958 -16.652 203 HA TYR 27 HA TYR 27 15.998 -2.570 -13.960 204 HB2 TYR 27 HB2 TYR 27 14.695 -2.020 -16.643 205 HB3 TYR 27 HB3 TYR 27 14.085 -1.305 -15.223 206 HD1 TYR 27 HD1 TYR 27 17.535 -1.191 -14.593 207 HD2 TYR 27 HD2 TYR 27 14.499 0.522 -17.119 208 HE1 TYR 27 HE1 TYR 27 18.909 0.849 -14.875 209 HE2 TYR 27 HE2 TYR 27 15.811 2.569 -17.358 210 HH TYR 27 HH TYR 27 19.065 2.915 -15.835 211 H ASP 28 H ASP 28 14.660 -4.608 -16.568 212 HA ASP 28 HA ASP 28 12.099 -5.002 -15.424 213 HB2 ASP 28 HB2 ASP 28 12.765 -5.395 -17.789 214 HB3 ASP 28 HB3 ASP 28 13.678 -6.825 -17.260 215 H GLN 29 H GLN 29 15.271 -6.516 -14.774 216 HA GLN 29 HA GLN 29 14.060 -8.688 -13.311 217 HB2 GLN 29 HB2 GLN 29 16.922 -7.668 -13.416 218 HB3 GLN 29 HB3 GLN 29 16.382 -9.098 -12.510 219 HG2 GLN 29 HG2 GLN 29 16.899 -10.196 -14.415 220 HG3 GLN 29 HG3 GLN 29 15.274 -9.715 -14.886 221 HE21 GLN 29 HE22 GLN 29 15.057 -8.520 -16.757 222 HE22 GLN 29 HE21 GLN 29 16.388 -7.759 -17.608 223 H LEU 30 H LEU 30 14.691 -5.342 -12.556 224 HA LEU 30 HA LEU 30 15.003 -5.615 -9.685 225 HB2 LEU 30 HB2 LEU 30 13.689 -3.419 -11.307 226 HB3 LEU 30 HB3 LEU 30 14.296 -3.269 -9.644 227 HG LEU 30 HG LEU 30 15.812 -3.608 -12.205 228 HD11 LEU 30 HD11 LEU 30 16.017 -1.567 -9.958 229 HD12 LEU 30 HD12 LEU 30 16.936 -1.555 -11.480 230 HD13 LEU 30 HD13 LEU 30 15.170 -1.324 -11.510 231 HD21 LEU 30 HD21 LEU 30 16.898 -5.124 -10.579 232 HD22 LEU 30 HD22 LEU 30 17.906 -3.688 -10.815 233 HD23 LEU 30 HD23 LEU 30 16.898 -3.826 -9.356 234 H ILE 31 H ILE 31 12.258 -5.500 -11.961 235 HA ILE 31 HA ILE 31 10.290 -5.499 -9.813 236 HB ILE 31 HB ILE 31 9.849 -6.248 -12.736 237 HG12 ILE 31 HG12 ILE 31 8.915 -3.646 -12.395 238 HG13 ILE 31 HG13 ILE 31 10.430 -3.617 -11.493 239 HG21 ILE 31 HG21 ILE 31 8.199 -5.076 -10.490 240 HG22 ILE 31 HG22 ILE 31 7.590 -5.440 -12.130 241 HG23 ILE 31 HG23 ILE 31 8.126 -6.780 -11.071 242 HD11 ILE 31 HD11 ILE 31 10.105 -4.588 -14.368 243 HD12 ILE 31 HD12 ILE 31 10.697 -2.986 -13.890 244 HD13 ILE 31 HD13 ILE 31 11.634 -4.442 -13.454 245 H THR 32 H THR 32 11.923 -7.960 -11.852 246 HA THR 32 HA THR 32 10.149 -10.028 -10.812 247 HB THR 32 HB THR 32 12.816 -9.988 -12.296 248 HG1 THR 32 HG1 THR 32 11.012 -9.314 -13.468 249 HG21 THR 32 HG21 THR 32 11.108 -12.437 -11.747 250 HG22 THR 32 HG22 THR 32 12.506 -12.355 -12.861 251 HG23 THR 32 HG23 THR 32 12.755 -12.114 -11.126 252 H ALA 33 H ALA 33 13.201 -8.591 -9.744 253 HA ALA 33 HA ALA 33 13.644 -10.768 -7.835 254 HB1 ALA 33 HB1 ALA 33 15.563 -9.542 -8.858 255 HB2 ALA 33 HB2 ALA 33 14.970 -8.029 -8.121 256 HB3 ALA 33 HB3 ALA 33 15.542 -9.349 -7.092 257 H GLN 34 H GLN 34 12.178 -7.562 -8.008 258 HA GLN 34 HA GLN 34 11.076 -7.905 -5.318 259 HB2 GLN 34 HB2 GLN 34 13.315 -6.430 -5.751 260 HB3 GLN 34 HB3 GLN 34 12.165 -5.215 -6.184 261 HG2 GLN 34 HG2 GLN 34 11.142 -5.400 -3.890 262 HG3 GLN 34 HG3 GLN 34 12.278 -6.725 -3.524 263 HE21 GLN 34 HE22 GLN 34 14.609 -5.970 -4.657 264 HE22 GLN 34 HE21 GLN 34 15.142 -4.362 -4.278 265 HA PRO 35 HA PRO 35 8.209 -6.662 -8.705 266 HB2 PRO 35 HB2 PRO 35 6.275 -8.574 -7.920 267 HB3 PRO 35 HB3 PRO 35 7.512 -8.706 -9.192 268 HG2 PRO 35 HG2 PRO 35 7.479 -10.110 -6.615 269 HG3 PRO 35 HG3 PRO 35 8.556 -10.340 -8.032 270 HD2 PRO 35 HD2 PRO 35 9.225 -9.029 -5.605 271 HD3 PRO 35 HD3 PRO 35 10.206 -9.366 -7.057 272 H GLN 36 H GLN 36 8.189 -6.892 -5.425 273 HA GLN 36 HA GLN 36 6.037 -4.875 -5.219 274 HB2 GLN 36 HB2 GLN 36 7.439 -6.255 -2.896 275 HB3 GLN 36 HB3 GLN 36 5.998 -5.231 -2.816 276 HG2 GLN 36 HG2 GLN 36 4.762 -7.092 -2.997 277 HG3 GLN 36 HG3 GLN 36 5.334 -7.238 -4.673 278 HE21 GLN 36 HE22 GLN 36 7.127 -8.626 -5.133 279 HE22 GLN 36 HE21 GLN 36 7.735 -9.799 -3.975 280 H ASN 37 H ASN 37 8.327 -4.010 -6.465 281 HA ASN 37 HA ASN 37 9.088 -1.821 -4.600 282 HB2 ASN 37 HB2 ASN 37 11.309 -2.450 -4.562 283 HB3 ASN 37 HB3 ASN 37 10.809 -3.933 -5.343 284 HD21 ASN 37 HD22 ASN 37 10.748 -4.029 -7.636 285 HD22 ASN 37 HD21 ASN 37 11.919 -3.099 -8.577 286 HA PRO 38 HA PRO 38 7.976 0.538 -8.014 287 HB2 PRO 38 HB2 PRO 38 8.454 2.944 -6.973 288 HB3 PRO 38 HB3 PRO 38 7.357 1.785 -6.184 289 HG2 PRO 38 HG2 PRO 38 10.248 2.377 -5.444 290 HG3 PRO 38 HG3 PRO 38 8.803 2.282 -4.376 291 HD2 PRO 38 HD2 PRO 38 10.593 0.204 -4.937 292 HD3 PRO 38 HD3 PRO 38 8.905 -0.002 -4.348 293 H VAL 39 H VAL 39 11.435 1.455 -6.874 294 HA VAL 39 HA VAL 39 12.156 2.659 -9.227 295 HB VAL 39 HB VAL 39 13.973 2.707 -8.247 296 HG11 VAL 39 HG11 VAL 39 14.733 1.784 -6.320 297 HG12 VAL 39 HG12 VAL 39 13.019 2.182 -6.146 298 HG13 VAL 39 HG13 VAL 39 13.518 0.464 -6.338 299 HG21 VAL 39 HG21 VAL 39 15.657 0.866 -8.268 300 HG22 VAL 39 HG22 VAL 39 14.387 -0.215 -8.892 301 HG23 VAL 39 HG23 VAL 39 14.873 1.217 -9.826 302 H GLY 40 H GLY 40 11.584 -0.654 -8.665 303 HA2 GLY 40 HA2 GLY 40 12.598 -1.914 -11.058 304 HA3 GLY 40 HA3 GLY 40 11.200 -2.452 -10.206 305 H TYR 41 H TYR 41 9.301 -0.499 -10.564 306 HA TYR 41 HA TYR 41 8.695 -0.555 -13.370 307 HB2 TYR 41 HB2 TYR 41 7.546 0.921 -10.981 308 HB3 TYR 41 HB3 TYR 41 6.716 0.786 -12.502 309 HD1 TYR 41 HD2 TYR 41 6.066 -1.554 -13.357 310 HD2 TYR 41 HD1 TYR 41 7.401 -0.761 -9.353 311 HE1 TYR 41 HE2 TYR 41 5.079 -3.709 -12.610 312 HE2 TYR 41 HE1 TYR 41 6.432 -2.929 -8.594 313 HH TYR 41 HH TYR 41 5.287 -4.822 -9.216 314 H SER 42 H SER 42 10.336 1.696 -11.196 315 HA SER 42 HA SER 42 9.561 4.078 -12.639 316 HB2 SER 42 HB2 SER 42 11.840 3.867 -10.632 317 HB3 SER 42 HB3 SER 42 10.838 5.278 -11.066 318 HG SER 42 HG SER 42 9.842 2.902 -9.903 319 H ASN 43 H ASN 43 12.480 1.994 -12.588 320 HA ASN 43 HA ASN 43 14.049 3.783 -14.261 321 HB2 ASN 43 HB2 ASN 43 14.340 0.863 -13.459 322 HB3 ASN 43 HB3 ASN 43 15.519 1.781 -14.423 323 HD21 ASN 43 HD22 ASN 43 17.136 1.478 -12.854 324 HD22 ASN 43 HD21 ASN 43 17.127 2.414 -11.367 325 H LYS 44 H LYS 44 12.312 0.667 -14.757 326 HA LYS 44 HA LYS 44 12.545 0.405 -17.591 327 HB2 LYS 44 HB2 LYS 44 11.851 -1.322 -16.046 328 HB3 LYS 44 HB3 LYS 44 10.377 -0.417 -15.648 329 HG2 LYS 44 HG2 LYS 44 9.594 -0.634 -17.978 330 HG3 LYS 44 HG3 LYS 44 11.108 -1.458 -18.423 331 HD2 LYS 44 HD2 LYS 44 10.580 -3.272 -16.814 332 HD3 LYS 44 HD3 LYS 44 9.074 -2.441 -16.375 333 HE2 LYS 44 HE2 LYS 44 8.289 -2.625 -18.710 334 HE3 LYS 44 HE3 LYS 44 9.796 -3.443 -19.158 335 HZ1 LYS 44 HZ1 LYS 44 7.827 -4.449 -17.216 336 HZ2 LYS 44 HZ2 LYS 44 8.030 -5.010 -18.749 337 HZ3 LYS 44 HZ3 LYS 44 9.226 -5.204 -17.638 338 H ALA 45 H ALA 45 10.428 2.425 -15.537 339 HA ALA 45 HA ALA 45 8.617 3.077 -17.726 340 HB1 ALA 45 HB1 ALA 45 9.059 4.364 -14.996 341 HB2 ALA 45 HB2 ALA 45 7.754 4.793 -16.131 342 HB3 ALA 45 HB3 ALA 45 7.815 3.171 -15.422 343 H MET 46 H MET 46 11.204 4.920 -15.966 344 HA MET 46 HA MET 46 11.008 7.290 -17.409 345 HB2 MET 46 HB2 MET 46 12.471 6.817 -15.417 346 HB3 MET 46 HB3 MET 46 13.562 5.920 -16.481 347 HG2 MET 46 HG2 MET 46 14.453 8.110 -16.159 348 HG3 MET 46 HG3 MET 46 13.916 7.979 -17.834 349 HE1 MET 46 HE1 MET 46 11.407 10.739 -18.310 350 HE2 MET 46 HE2 MET 46 12.739 9.785 -18.996 351 HE3 MET 46 HE3 MET 46 11.236 8.980 -18.476 352 H ALA 47 H ALA 47 12.723 4.255 -18.262 353 HA ALA 47 HA ALA 47 14.006 5.334 -20.590 354 HB1 ALA 47 HB1 ALA 47 14.398 2.898 -21.071 355 HB2 ALA 47 HB2 ALA 47 14.839 3.357 -19.410 356 HB3 ALA 47 HB3 ALA 47 13.315 2.504 -19.716 357 H LEU 48 H LEU 48 10.790 3.772 -20.068 358 HA LEU 48 HA LEU 48 10.241 3.359 -22.838 359 HB2 LEU 48 HB2 LEU 48 8.498 3.767 -20.387 360 HB3 LEU 48 HB3 LEU 48 7.819 3.477 -22.002 361 HG LEU 48 HG LEU 48 9.832 1.604 -20.702 362 HD11 LEU 48 HD11 LEU 48 7.845 0.178 -20.196 363 HD12 LEU 48 HD12 LEU 48 7.805 1.722 -19.309 364 HD13 LEU 48 HD13 LEU 48 6.788 1.498 -20.749 365 HD21 LEU 48 HD21 LEU 48 9.025 0.011 -22.356 366 HD22 LEU 48 HD22 LEU 48 7.862 1.200 -22.977 367 HD23 LEU 48 HD23 LEU 48 9.615 1.475 -23.173 368 H ILE 49 H ILE 49 10.096 6.289 -20.806 369 HA ILE 49 HA ILE 49 8.603 7.837 -22.762 370 HB ILE 49 HB ILE 49 10.452 8.448 -20.413 371 HG12 ILE 49 HG12 ILE 49 8.384 9.749 -19.692 372 HG13 ILE 49 HG13 ILE 49 7.512 8.950 -21.006 373 HG21 ILE 49 HG21 ILE 49 9.242 10.535 -22.248 374 HG22 ILE 49 HG22 ILE 49 10.104 10.834 -20.727 375 HG23 ILE 49 HG23 ILE 49 10.986 10.140 -22.096 376 HD11 ILE 49 HD11 ILE 49 8.923 7.576 -18.687 377 HD12 ILE 49 HD12 ILE 49 7.172 7.781 -18.884 378 HD13 ILE 49 HD13 ILE 49 8.065 6.741 -20.014 379 H LYS 50 H LYS 50 12.026 7.069 -22.194 380 HA LYS 50 HA LYS 50 13.044 8.850 -24.206 381 HB2 LYS 50 HB2 LYS 50 14.323 6.332 -23.095 382 HB3 LYS 50 HB3 LYS 50 15.119 7.796 -23.775 383 HG2 LYS 50 HG2 LYS 50 13.653 7.726 -21.182 384 HG3 LYS 50 HG3 LYS 50 15.402 7.858 -21.514 385 HD2 LYS 50 HD2 LYS 50 14.809 9.933 -22.937 386 HD3 LYS 50 HD3 LYS 50 13.228 9.901 -22.085 387 HE2 LYS 50 HE2 LYS 50 14.423 9.737 -19.955 388 HE3 LYS 50 HE3 LYS 50 15.959 9.708 -20.822 389 HZ1 LYS 50 HZ1 LYS 50 15.467 11.938 -19.966 390 HZ2 LYS 50 HZ2 LYS 50 15.509 11.950 -21.605 391 HZ3 LYS 50 HZ3 LYS 50 14.063 11.989 -20.823 392 H LEU 51 H LEU 51 11.301 5.892 -24.364 393 HA LEU 51 HA LEU 51 12.301 5.195 -27.068 394 HB2 LEU 51 HB2 LEU 51 10.663 3.751 -24.956 395 HB3 LEU 51 HB3 LEU 51 10.938 3.126 -26.584 396 HG LEU 51 HG LEU 51 13.195 3.815 -24.646 397 HD11 LEU 51 HD11 LEU 51 11.883 1.134 -25.268 398 HD12 LEU 51 HD12 LEU 51 13.341 1.367 -24.278 399 HD13 LEU 51 HD13 LEU 51 11.790 2.017 -23.721 400 HD21 LEU 51 HD21 LEU 51 13.886 3.762 -27.005 401 HD22 LEU 51 HD22 LEU 51 14.523 2.356 -26.122 402 HD23 LEU 51 HD23 LEU 51 13.124 2.161 -27.201 403 H GLY 52 H GLY 52 9.896 6.847 -25.301 404 HA2 GLY 52 HA2 GLY 52 7.973 7.880 -25.799 405 HA3 GLY 52 HA3 GLY 52 8.224 7.559 -27.512 406 H GLU 53 H GLU 53 8.343 4.887 -25.328 407 HA GLU 53 HA GLU 53 5.702 3.836 -26.137 408 HB2 GLU 53 HB2 GLU 53 8.056 2.686 -24.543 409 HB3 GLU 53 HB3 GLU 53 6.615 1.751 -25.013 410 HG2 GLU 53 HG2 GLU 53 8.449 3.129 -27.031 411 HG3 GLU 53 HG3 GLU 53 8.717 1.492 -26.460 412 H TYR 54 H TYR 54 5.945 6.132 -24.645 413 HA TYR 54 HA TYR 54 5.238 6.365 -22.096 414 HB2 TYR 54 HB2 TYR 54 3.611 6.943 -24.528 415 HB3 TYR 54 HB3 TYR 54 3.301 7.751 -23.083 416 HD1 TYR 54 HD1 TYR 54 6.410 8.376 -22.564 417 HD2 TYR 54 HD2 TYR 54 3.894 8.547 -26.025 418 HE1 TYR 54 HE1 TYR 54 7.982 9.998 -23.621 419 HE2 TYR 54 HE2 TYR 54 5.541 10.039 -27.169 420 HH TYR 54 HH TYR 54 8.479 11.219 -25.491 421 H THR 55 H THR 55 3.126 4.785 -24.624 422 HA THR 55 HA THR 55 0.746 4.586 -23.176 423 HB THR 55 HB THR 55 1.825 2.386 -24.962 424 HG1 THR 55 HG1 THR 55 0.975 3.651 -26.654 425 HG21 THR 55 HG21 THR 55 -0.580 2.169 -25.516 426 HG22 THR 55 HG22 THR 55 -0.328 2.017 -23.759 427 HG23 THR 55 HG23 THR 55 -0.952 3.534 -24.434 428 H GLN 56 H GLN 56 3.605 2.651 -23.122 429 HA GLN 56 HA GLN 56 2.608 0.695 -21.153 430 HB2 GLN 56 HB2 GLN 56 5.420 1.189 -22.229 431 HB3 GLN 56 HB3 GLN 56 4.848 -0.255 -21.380 432 HG2 GLN 56 HG2 GLN 56 3.979 0.777 -24.125 433 HG3 GLN 56 HG3 GLN 56 4.985 -0.631 -23.809 434 HE21 GLN 56 HE22 GLN 56 1.751 0.734 -23.646 435 HE22 GLN 56 HE21 GLN 56 0.883 -0.783 -23.437 436 H ALA 57 H ALA 57 4.865 3.450 -21.281 437 HA ALA 57 HA ALA 57 5.904 3.286 -18.677 438 HB1 ALA 57 HB1 ALA 57 6.604 4.801 -20.614 439 HB2 ALA 57 HB2 ALA 57 5.194 5.802 -20.252 440 HB3 ALA 57 HB3 ALA 57 6.475 5.630 -19.028 441 H ILE 58 H ILE 58 2.851 4.750 -19.827 442 HA ILE 58 HA ILE 58 2.148 6.152 -17.458 443 HB ILE 58 HB ILE 58 0.455 4.784 -19.577 444 HG12 ILE 58 HG12 ILE 58 0.940 7.762 -19.474 445 HG13 ILE 58 HG13 ILE 58 2.197 6.726 -20.135 446 HG21 ILE 58 HG21 ILE 58 -0.331 7.006 -17.647 447 HG22 ILE 58 HG22 ILE 58 -1.328 6.392 -18.978 448 HG23 ILE 58 HG23 ILE 58 -0.934 5.326 -17.612 449 HD11 ILE 58 HD11 ILE 58 -0.693 6.858 -21.116 450 HD12 ILE 58 HD12 ILE 58 0.772 7.380 -21.988 451 HD13 ILE 58 HD13 ILE 58 0.501 5.662 -21.647 452 H GLN 59 H GLN 59 1.824 2.717 -18.462 453 HA GLN 59 HA GLN 59 0.167 1.948 -16.249 454 HB2 GLN 59 HB2 GLN 59 1.998 0.313 -18.039 455 HB3 GLN 59 HB3 GLN 59 0.678 -0.275 -17.009 456 HG2 GLN 59 HG2 GLN 59 0.528 1.358 -19.553 457 HG3 GLN 59 HG3 GLN 59 -0.204 -0.217 -19.191 458 HE21 GLN 59 HE22 GLN 59 -0.968 2.901 -19.709 459 HE22 GLN 59 HE21 GLN 59 -2.349 3.081 -18.635 460 H MET 60 H MET 60 3.665 2.079 -16.907 461 HA MET 60 HA MET 60 4.478 0.572 -14.540 462 HB2 MET 60 HB2 MET 60 6.026 2.571 -16.214 463 HB3 MET 60 HB3 MET 60 6.701 1.429 -15.040 464 HG2 MET 60 HG2 MET 60 5.435 0.797 -17.714 465 HG3 MET 60 HG3 MET 60 7.128 0.669 -17.263 466 HE1 MET 60 HE1 MET 60 3.963 -0.947 -17.843 467 HE2 MET 60 HE2 MET 60 3.816 -2.370 -16.770 468 HE3 MET 60 HE3 MET 60 3.537 -0.733 -16.132 469 H CYS 61 H CYS 61 4.110 4.092 -15.285 470 HA CYS 61 HA CYS 61 5.494 4.933 -12.911 471 HB2 CYS 61 HB2 CYS 61 3.473 6.416 -14.619 472 HB3 CYS 61 HB3 CYS 61 4.522 7.114 -13.362 473 HG CYS 61 HG CYS 61 5.425 5.448 -16.056 474 H GLN 62 H GLN 62 1.954 4.636 -13.701 475 HA GLN 62 HA GLN 62 1.133 5.212 -11.045 476 HB2 GLN 62 HB2 GLN 62 -1.016 4.249 -11.683 477 HB3 GLN 62 HB3 GLN 62 -0.379 5.417 -12.864 478 HG2 GLN 62 HG2 GLN 62 -0.845 3.866 -14.421 479 HG3 GLN 62 HG3 GLN 62 0.582 3.005 -13.826 480 HE21 GLN 62 HE22 GLN 62 0.307 1.124 -12.580 481 HE22 GLN 62 HE21 GLN 62 -1.252 0.368 -12.323 482 H GLN 63 H GLN 63 2.282 2.091 -12.385 483 HA GLN 63 HA GLN 63 1.370 0.395 -10.248 484 HB2 GLN 63 HB2 GLN 63 2.922 0.280 -12.662 485 HB3 GLN 63 HB3 GLN 63 3.994 -0.232 -11.371 486 HG2 GLN 63 HG2 GLN 63 2.913 -2.117 -12.361 487 HG3 GLN 63 HG3 GLN 63 2.348 -1.954 -10.677 488 HE21 GLN 63 HE22 GLN 63 1.490 -1.823 -14.097 489 HE22 GLN 63 HE21 GLN 63 -0.242 -1.700 -13.863 490 H GLY 64 H GLY 64 4.444 2.298 -10.654 491 HA2 GLY 64 HA2 GLY 64 5.773 1.293 -8.455 492 HA3 GLY 64 HA3 GLY 64 5.887 2.966 -9.001 493 H LEU 65 H LEU 65 2.999 3.543 -8.472 494 HA LEU 65 HA LEU 65 3.290 4.514 -5.800 495 HB2 LEU 65 HB2 LEU 65 0.887 4.327 -7.657 496 HB3 LEU 65 HB3 LEU 65 0.915 5.277 -6.158 497 HG LEU 65 HG LEU 65 3.004 5.630 -8.329 498 HD11 LEU 65 HD11 LEU 65 0.486 7.291 -8.014 499 HD12 LEU 65 HD12 LEU 65 1.739 7.407 -9.289 500 HD13 LEU 65 HD13 LEU 65 0.677 5.989 -9.212 501 HD21 LEU 65 HD21 LEU 65 2.088 7.843 -6.525 502 HD22 LEU 65 HD22 LEU 65 3.013 6.533 -5.760 503 HD23 LEU 65 HD23 LEU 65 3.725 7.439 -7.097 504 H ARG 66 H ARG 66 2.556 1.395 -6.794 505 HA ARG 66 HA ARG 66 0.589 0.734 -4.723 506 HB2 ARG 66 HB2 ARG 66 2.214 -0.744 -6.849 507 HB3 ARG 66 HB3 ARG 66 0.993 -1.539 -5.899 508 HG2 ARG 66 HG2 ARG 66 -0.697 0.142 -6.737 509 HG3 ARG 66 HG3 ARG 66 0.564 0.827 -7.782 510 HD2 ARG 66 HD2 ARG 66 -0.643 -0.723 -9.110 511 HD3 ARG 66 HD3 ARG 66 0.947 -1.436 -8.757 512 HE ARG 66 HE ARG 66 -0.675 -2.420 -6.746 513 HH11 ARG 66 HH11 ARG 66 -0.853 -2.484 -10.277 514 HH12 ARG 66 HH12 ARG 66 -1.716 -3.999 -10.323 515 HH21 ARG 66 HH21 ARG 66 -1.796 -4.401 -6.835 516 HH22 ARG 66 HH22 ARG 66 -2.240 -5.084 -8.378 517 H TYR 67 H TYR 67 3.896 1.072 -5.242 518 HA TYR 67 HA TYR 67 4.704 -0.730 -3.014 519 HB2 TYR 67 HB2 TYR 67 6.173 0.244 -5.480 520 HB3 TYR 67 HB3 TYR 67 6.779 -0.965 -4.365 521 HD1 TYR 67 HD2 TYR 67 5.111 -3.081 -4.051 522 HD2 TYR 67 HD1 TYR 67 4.899 -0.284 -7.301 523 HE1 TYR 67 HE2 TYR 67 3.893 -4.756 -5.403 524 HE2 TYR 67 HE1 TYR 67 3.611 -1.870 -8.628 525 HH TYR 67 HH TYR 67 2.723 -4.026 -8.729 526 H THR 68 H THR 68 4.550 2.628 -3.838 527 HA THR 68 HA THR 68 6.973 3.342 -2.360 528 HB THR 68 HB THR 68 6.123 5.691 -2.754 529 HG1 THR 68 HG1 THR 68 3.925 5.197 -2.976 530 HG21 THR 68 HG21 THR 68 6.574 5.609 -5.189 531 HG22 THR 68 HG22 THR 68 7.740 4.647 -4.262 532 HG23 THR 68 HG23 THR 68 6.436 3.832 -5.143 533 H SER 69 H SER 69 4.716 1.851 -1.007 534 HA SER 69 HA SER 69 3.319 3.539 0.793 535 HB2 SER 69 HB2 SER 69 4.191 0.630 0.985 536 HB3 SER 69 HB3 SER 69 3.019 1.421 2.053 537 HG SER 69 HG SER 69 1.729 1.823 0.215 538 H THR 70 H THR 70 6.572 3.397 0.663 539 HA THR 70 HA THR 70 6.871 3.885 3.586 540 HB THR 70 HB THR 70 7.528 1.588 3.304 541 HG1 THR 70 HG1 THR 70 9.715 1.786 3.884 542 HG21 THR 70 HG21 THR 70 9.250 2.592 1.003 543 HG22 THR 70 HG22 THR 70 9.386 0.972 1.730 544 HG23 THR 70 HG23 THR 70 7.890 1.458 0.913 545 H ALA 71 H ALA 71 8.802 5.086 4.157 546 HA ALA 71 HA ALA 71 9.086 7.321 2.348 547 HB1 ALA 71 HB1 ALA 71 8.840 7.568 4.784 548 HB2 ALA 71 HB2 ALA 71 10.404 6.753 5.032 549 HB3 ALA 71 HB3 ALA 71 10.330 8.324 4.189 550 H GLU 72 H GLU 72 10.896 4.374 2.535 551 HA GLU 72 HA GLU 72 13.387 5.583 1.608 552 HB2 GLU 72 HB2 GLU 72 13.961 3.252 1.011 553 HB3 GLU 72 HB3 GLU 72 13.438 3.412 2.699 554 HG2 GLU 72 HG2 GLU 72 11.146 2.678 1.989 555 HG3 GLU 72 HG3 GLU 72 11.781 2.374 0.372 556 H HIS 73 H HIS 73 10.291 5.070 0.287 557 HA HIS 73 HA HIS 73 11.355 4.957 -2.490 558 HB2 HIS 73 HB2 HIS 73 8.849 3.774 -1.251 559 HB3 HIS 73 HB3 HIS 73 9.116 3.897 -2.995 560 HD2 HIS 73 HD2 HIS 73 12.436 3.127 -2.004 561 HE1 HIS 73 HE1 HIS 73 10.640 -0.724 -2.153 562 HE2 HIS 73 HE2 HIS 73 12.855 0.539 -2.089 563 H VAL 74 H VAL 74 10.107 7.115 -0.333 564 HA VAL 74 HA VAL 74 8.019 8.417 -1.726 565 HB VAL 74 HB VAL 74 8.707 8.919 0.580 566 HG11 VAL 74 HG11 VAL 74 11.133 10.329 -0.607 567 HG12 VAL 74 HG12 VAL 74 10.698 10.183 1.108 568 HG13 VAL 74 HG13 VAL 74 11.195 8.743 0.194 569 HG21 VAL 74 HG21 VAL 74 7.496 10.629 -0.781 570 HG22 VAL 74 HG22 VAL 74 8.566 11.366 0.441 571 HG23 VAL 74 HG23 VAL 74 9.071 11.306 -1.270 572 H ALA 75 H ALA 75 11.469 8.346 -2.206 573 HA ALA 75 HA ALA 75 11.972 10.547 -3.884 574 HB1 ALA 75 HB1 ALA 75 12.994 7.684 -4.117 575 HB2 ALA 75 HB2 ALA 75 13.806 9.151 -4.714 576 HB3 ALA 75 HB3 ALA 75 13.618 8.897 -2.951 577 H ILE 76 H ILE 76 10.728 7.322 -4.539 578 HA ILE 76 HA ILE 76 10.756 7.554 -7.432 579 HB ILE 76 HB ILE 76 9.743 5.538 -5.388 580 HG12 ILE 76 HG12 ILE 76 12.324 6.202 -5.936 581 HG13 ILE 76 HG13 ILE 76 11.803 4.643 -5.462 582 HG21 ILE 76 HG21 ILE 76 9.702 5.606 -8.391 583 HG22 ILE 76 HG22 ILE 76 9.854 4.058 -7.516 584 HG23 ILE 76 HG23 ILE 76 8.435 5.098 -7.239 585 HD11 ILE 76 HD11 ILE 76 12.064 5.811 -8.302 586 HD12 ILE 76 HD12 ILE 76 13.338 4.842 -7.515 587 HD13 ILE 76 HD13 ILE 76 11.795 4.074 -7.969 588 H ARG 77 H ARG 77 8.457 7.681 -4.753 589 HA ARG 77 HA ARG 77 6.000 7.601 -6.161 590 HB2 ARG 77 HB2 ARG 77 6.426 7.678 -3.620 591 HB3 ARG 77 HB3 ARG 77 6.586 9.434 -3.823 592 HG2 ARG 77 HG2 ARG 77 4.271 9.197 -5.112 593 HG3 ARG 77 HG3 ARG 77 4.158 7.676 -4.195 594 HD2 ARG 77 HD2 ARG 77 4.629 8.935 -2.105 595 HD3 ARG 77 HD3 ARG 77 4.709 10.432 -3.041 596 HE ARG 77 HE ARG 77 2.305 8.943 -2.249 597 HH11 ARG 77 HH11 ARG 77 3.625 11.389 -4.441 598 HH12 ARG 77 HH12 ARG 77 2.063 12.109 -4.759 599 HH21 ARG 77 HH21 ARG 77 0.288 9.919 -2.673 600 HH22 ARG 77 HH22 ARG 77 0.189 11.282 -3.763 601 H SER 78 H SER 78 8.423 10.036 -5.883 602 HA SER 78 HA SER 78 6.879 12.286 -6.914 603 HB2 SER 78 HB2 SER 78 8.966 12.325 -5.393 604 HB3 SER 78 HB3 SER 78 9.889 11.820 -6.800 605 HG SER 78 HG SER 78 9.862 14.106 -6.528 606 H LYS 79 H LYS 79 8.755 9.635 -8.331 607 HA LYS 79 HA LYS 79 8.929 11.000 -10.939 608 HB2 LYS 79 HB2 LYS 79 9.866 8.290 -9.893 609 HB3 LYS 79 HB3 LYS 79 10.170 8.915 -11.531 610 HG2 LYS 79 HG2 LYS 79 11.297 10.893 -10.578 611 HG3 LYS 79 HG3 LYS 79 11.022 10.273 -8.932 612 HD2 LYS 79 HD2 LYS 79 12.389 8.282 -9.460 613 HD3 LYS 79 HD3 LYS 79 12.646 8.909 -11.115 614 HE2 LYS 79 HE2 LYS 79 13.574 11.006 -10.112 615 HE3 LYS 79 HE3 LYS 79 13.458 10.244 -8.508 616 HZ1 LYS 79 HZ1 LYS 79 15.642 9.962 -9.361 617 HZ2 LYS 79 HZ2 LYS 79 14.904 8.490 -9.371 618 HZ3 LYS 79 HZ3 LYS 79 15.098 9.327 -10.776 619 H LEU 80 H LEU 80 7.172 8.395 -9.316 620 HA LEU 80 HA LEU 80 5.902 7.198 -11.558 621 HB2 LEU 80 HB2 LEU 80 5.285 7.565 -8.618 622 HB3 LEU 80 HB3 LEU 80 4.150 6.735 -9.668 623 HG LEU 80 HG LEU 80 5.392 4.829 -9.789 624 HD11 LEU 80 HD11 LEU 80 7.730 4.554 -9.838 625 HD12 LEU 80 HD12 LEU 80 7.243 5.681 -11.093 626 HD13 LEU 80 HD13 LEU 80 8.018 6.304 -9.609 627 HD21 LEU 80 HD21 LEU 80 5.076 5.377 -7.407 628 HD22 LEU 80 HD22 LEU 80 6.533 4.396 -7.690 629 HD23 LEU 80 HD23 LEU 80 6.672 6.145 -7.384 630 H GLN 81 H GLN 81 5.513 10.349 -10.228 631 HA GLN 81 HA GLN 81 2.821 10.767 -11.315 632 HB2 GLN 81 HB2 GLN 81 4.758 11.724 -9.264 633 HB3 GLN 81 HB3 GLN 81 3.872 13.043 -9.996 634 HG2 GLN 81 HG2 GLN 81 2.971 11.960 -7.876 635 HG3 GLN 81 HG3 GLN 81 1.819 12.214 -9.243 636 HE21 GLN 81 HE22 GLN 81 4.018 9.748 -7.866 637 HE22 GLN 81 HE21 GLN 81 2.958 8.394 -8.201 638 H TYR 82 H TYR 82 6.279 11.671 -11.891 639 HA TYR 82 HA TYR 82 5.504 13.940 -13.540 640 HB2 TYR 82 HB2 TYR 82 7.509 14.144 -12.393 641 HB3 TYR 82 HB3 TYR 82 8.051 12.517 -12.819 642 HD1 TYR 82 HD2 TYR 82 7.543 15.949 -14.185 643 HD2 TYR 82 HD1 TYR 82 9.194 12.043 -14.818 644 HE1 TYR 82 HE2 TYR 82 8.918 16.846 -16.049 645 HE2 TYR 82 HE1 TYR 82 10.645 12.941 -16.646 646 HH TYR 82 HH TYR 82 11.183 14.776 -17.903 647 H ARG 83 H ARG 83 7.181 10.797 -14.356 648 HA ARG 83 HA ARG 83 6.891 11.407 -17.195 649 HB2 ARG 83 HB2 ARG 83 7.261 8.609 -16.226 650 HB3 ARG 83 HB3 ARG 83 7.855 9.398 -17.685 651 HG2 ARG 83 HG2 ARG 83 9.721 8.917 -16.432 652 HG3 ARG 83 HG3 ARG 83 9.501 10.652 -16.174 653 HD2 ARG 83 HD2 ARG 83 8.616 10.225 -13.929 654 HD3 ARG 83 HD3 ARG 83 8.370 8.507 -14.306 655 HE ARG 83 HE ARG 83 10.975 9.898 -13.835 656 HH11 ARG 83 HH11 ARG 83 9.107 6.928 -14.205 657 HH12 ARG 83 HH12 ARG 83 10.431 5.896 -13.698 658 HH21 ARG 83 HH21 ARG 83 12.667 8.530 -13.122 659 HH22 ARG 83 HH22 ARG 83 12.416 6.803 -13.041 660 H LEU 84 H LEU 84 4.876 10.154 -14.766 661 HA LEU 84 HA LEU 84 3.121 8.503 -16.305 662 HB2 LEU 84 HB2 LEU 84 3.086 8.415 -13.891 663 HB3 LEU 84 HB3 LEU 84 2.926 10.127 -13.747 664 HG LEU 84 HG LEU 84 0.631 10.067 -14.622 665 HD11 LEU 84 HD11 LEU 84 1.024 7.043 -14.824 666 HD12 LEU 84 HD12 LEU 84 -0.508 7.917 -15.067 667 HD13 LEU 84 HD13 LEU 84 0.827 8.142 -16.199 668 HD21 LEU 84 HD21 LEU 84 1.141 9.720 -12.211 669 HD22 LEU 84 HD22 LEU 84 -0.371 8.924 -12.707 670 HD23 LEU 84 HD23 LEU 84 1.113 7.970 -12.468 671 H GLU 85 H GLU 85 3.428 12.007 -15.807 672 HA GLU 85 HA GLU 85 0.788 12.582 -16.962 673 HB2 GLU 85 HB2 GLU 85 3.113 14.195 -15.907 674 HB3 GLU 85 HB3 GLU 85 1.692 14.957 -16.669 675 HG2 GLU 85 HG2 GLU 85 1.482 12.944 -14.390 676 HG3 GLU 85 HG3 GLU 85 1.617 14.692 -14.151 677 H LEU 86 H LEU 86 4.226 12.840 -17.868 678 HA LEU 86 HA LEU 86 3.703 14.372 -20.247 679 HB2 LEU 86 HB2 LEU 86 6.009 14.409 -20.510 680 HB3 LEU 86 HB3 LEU 86 5.814 14.184 -18.764 681 HG LEU 86 HG LEU 86 6.001 11.613 -19.389 682 HD11 LEU 86 HD11 LEU 86 7.582 12.952 -21.644 683 HD12 LEU 86 HD12 LEU 86 7.445 11.206 -21.329 684 HD13 LEU 86 HD13 LEU 86 6.053 12.115 -21.921 685 HD21 LEU 86 HD21 LEU 86 8.278 11.669 -18.811 686 HD22 LEU 86 HD22 LEU 86 8.511 13.300 -19.511 687 HD23 LEU 86 HD23 LEU 86 7.563 13.071 -18.022 688 H ALA 87 H ALA 87 4.259 10.874 -19.614 689 HA ALA 87 HA ALA 87 4.599 9.976 -22.189 690 HB1 ALA 87 HB1 ALA 87 3.315 8.754 -19.702 691 HB2 ALA 87 HB2 ALA 87 3.866 7.807 -21.095 692 HB3 ALA 87 HB3 ALA 87 5.037 8.727 -20.125 693 H GLN 88 H GLN 88 1.530 9.813 -20.217 694 HA GLN 88 HA GLN 88 -0.116 9.134 -22.416 695 HB2 GLN 88 HB2 GLN 88 -1.972 9.886 -21.042 696 HB3 GLN 88 HB3 GLN 88 -0.897 8.709 -20.237 697 HG2 GLN 88 HG2 GLN 88 0.215 10.517 -19.029 698 HG3 GLN 88 HG3 GLN 88 -0.878 11.712 -19.715 699 HE21 GLN 88 HE22 GLN 88 -0.366 9.801 -17.032 700 HE22 GLN 88 HE21 GLN 88 -2.001 9.690 -16.415 701 H GLY 89 H GLY 89 1.228 12.185 -21.479 702 HA2 GLY 89 HA2 GLY 89 -0.715 13.799 -22.957 703 HA3 GLY 89 HA3 GLY 89 0.761 14.345 -22.128 704 H ALA 90 H ALA 90 1.532 11.649 -23.931 705 HA ALA 90 HA ALA 90 2.084 13.101 -26.464 706 HB1 ALA 90 HB1 ALA 90 3.936 11.253 -24.941 707 HB2 ALA 90 HB2 ALA 90 4.252 11.976 -26.538 708 HB3 ALA 90 HB3 ALA 90 4.115 13.019 -25.097 709 H VAL 91 H VAL 91 0.369 10.692 -25.010 710 HA VAL 91 HA VAL 91 0.862 8.561 -27.029 711 HB VAL 91 HB VAL 91 -0.179 8.652 -24.236 712 HG11 VAL 91 HG11 VAL 91 -0.095 6.213 -26.105 713 HG12 VAL 91 HG12 VAL 91 0.041 6.119 -24.365 714 HG13 VAL 91 HG13 VAL 91 -1.495 6.715 -25.095 715 HG21 VAL 91 HG21 VAL 91 1.915 7.094 -25.702 716 HG22 VAL 91 HG22 VAL 91 2.200 8.657 -24.882 717 HG23 VAL 91 HG23 VAL 91 1.641 7.241 -23.924 718 H GLY 92 H GLY 92 -0.902 7.402 -27.881 719 HA2 GLY 92 HA2 GLY 92 -2.926 7.139 -28.834 720 HA3 GLY 92 HA3 GLY 92 -3.596 8.291 -27.646 721 H SER 93 H SER 93 -0.940 9.666 -29.269 722 HA SER 93 HA SER 93 -2.524 10.851 -31.491 723 HB2 SER 93 HB2 SER 93 -1.074 12.414 -29.320 724 HB3 SER 93 HB3 SER 93 -1.794 13.103 -30.791 725 HG SER 93 HG SER 93 -3.823 12.338 -30.055 726 H VAL 94 H VAL 94 -1.319 10.044 -33.084 727 HA VAL 94 HA VAL 94 1.460 11.052 -33.238 728 HB VAL 94 HB VAL 94 0.655 8.175 -33.819 729 HG11 VAL 94 HG11 VAL 94 3.275 9.701 -34.184 730 HG12 VAL 94 HG12 VAL 94 3.064 7.944 -34.404 731 HG13 VAL 94 HG13 VAL 94 2.243 9.086 -35.489 732 HG21 VAL 94 HG21 VAL 94 2.383 7.731 -32.049 733 HG22 VAL 94 HG22 VAL 94 2.509 9.496 -31.784 734 HG23 VAL 94 HG23 VAL 94 0.995 8.648 -31.420 735 H GLN 95 H GLN 95 1.177 12.496 -34.653 736 HA GLN 95 HA GLN 95 -0.460 12.251 -37.040 737 HB2 GLN 95 HB2 GLN 95 1.487 14.290 -35.891 738 HB3 GLN 95 HB3 GLN 95 0.526 14.561 -37.359 739 HG2 GLN 95 HG2 GLN 95 -1.502 14.635 -36.156 740 HG3 GLN 95 HG3 GLN 95 -0.846 13.719 -34.790 741 HE21 GLN 95 HE22 GLN 95 0.464 14.732 -33.219 742 HE22 GLN 95 HE21 GLN 95 0.508 16.478 -33.060 743 H ILE 96 H ILE 96 2.413 10.809 -36.357 744 HA ILE 96 HA ILE 96 3.448 11.166 -39.112 745 HB ILE 96 HB ILE 96 5.760 11.272 -38.190 746 HG12 ILE 96 HG12 ILE 96 4.360 11.792 -35.527 747 HG13 ILE 96 HG13 ILE 96 5.241 10.312 -35.931 748 HG21 ILE 96 HG21 ILE 96 5.672 13.644 -37.698 749 HG22 ILE 96 HG22 ILE 96 4.466 13.267 -38.939 750 HG23 ILE 96 HG23 ILE 96 3.953 13.532 -37.252 751 HD11 ILE 96 HD11 ILE 96 7.303 11.679 -36.297 752 HD12 ILE 96 HD12 ILE 96 6.408 13.118 -35.752 753 HD13 ILE 96 HD13 ILE 96 6.681 11.768 -34.633 754 HA PRO 97 HA PRO 97 3.561 6.722 -37.413 755 HB2 PRO 97 HB2 PRO 97 1.366 5.589 -38.564 756 HB3 PRO 97 HB3 PRO 97 1.243 6.523 -37.043 757 HG2 PRO 97 HG2 PRO 97 0.738 7.507 -39.865 758 HG3 PRO 97 HG3 PRO 97 -0.333 7.667 -38.429 759 HD2 PRO 97 HD2 PRO 97 1.352 9.666 -39.203 760 HD3 PRO 97 HD3 PRO 97 1.060 9.314 -37.471 761 H VAL 98 H VAL 98 3.382 4.670 -38.970 762 HA VAL 98 HA VAL 98 4.059 5.426 -41.738 763 HB VAL 98 HB VAL 98 6.127 4.961 -40.392 764 HG11 VAL 98 HG11 VAL 98 6.660 2.682 -39.695 765 HG12 VAL 98 HG12 VAL 98 5.188 3.236 -38.874 766 HG13 VAL 98 HG13 VAL 98 5.078 2.106 -40.245 767 HG21 VAL 98 HG21 VAL 98 5.637 2.897 -42.576 768 HG22 VAL 98 HG22 VAL 98 6.083 4.601 -42.843 769 HG23 VAL 98 HG23 VAL 98 7.202 3.504 -42.010 770 H VAL 99 H VAL 99 1.729 4.847 -40.630 771 HA VAL 99 HA VAL 99 -0.044 3.514 -40.433 772 HB VAL 99 HB VAL 99 0.211 4.742 -42.702 773 HG11 VAL 99 HG11 VAL 99 0.135 1.898 -43.772 774 HG12 VAL 99 HG12 VAL 99 0.167 3.416 -44.699 775 HG13 VAL 99 HG13 VAL 99 1.584 2.922 -43.738 776 HG21 VAL 99 HG21 VAL 99 -2.022 4.027 -43.352 777 HG22 VAL 99 HG22 VAL 99 -1.871 2.568 -42.329 778 HG23 VAL 99 HG23 VAL 99 -1.856 4.188 -41.584 779 H GLU 100 H GLU 100 2.267 1.941 -39.941 780 HA GLU 100 HA GLU 100 2.247 -0.648 -40.959 781 HB2 GLU 100 HB2 GLU 100 3.962 0.259 -39.483 782 HB3 GLU 100 HB3 GLU 100 2.793 0.368 -38.134 783 HG2 GLU 100 HG2 GLU 100 2.560 -1.972 -37.968 784 HG3 GLU 100 HG3 GLU 100 3.389 -2.172 -39.526 785 H VAL 101 H VAL 101 1.169 -2.468 -40.616 786 HA VAL 101 HA VAL 101 -0.830 -2.680 -38.430 787 HB VAL 101 HB VAL 101 -1.323 -3.586 -41.288 788 HG11 VAL 101 HG11 VAL 101 -3.589 -4.089 -40.446 789 HG12 VAL 101 HG12 VAL 101 -2.375 -4.999 -39.532 790 HG13 VAL 101 HG13 VAL 101 -3.115 -3.552 -38.815 791 HG21 VAL 101 HG21 VAL 101 -1.470 -1.151 -41.169 792 HG22 VAL 101 HG22 VAL 101 -3.092 -1.855 -41.335 793 HG23 VAL 101 HG23 VAL 101 -2.542 -1.256 -39.751 794 H ASP 102 H ASP 102 -0.772 -4.651 -37.460 795 HA ASP 102 HA ASP 102 0.519 -6.920 -38.752 796 HB2 ASP 102 HB2 ASP 102 2.409 -5.593 -37.839 797 HB3 ASP 102 HB3 ASP 102 1.675 -5.612 -36.243 798 H GLU 103 H GLU 103 -2.038 -5.945 -37.581 799 HA GLU 103 HA GLU 103 -2.723 -8.386 -36.098 800 HB2 GLU 103 HB2 GLU 103 -3.746 -7.212 -34.281 801 HB3 GLU 103 HB3 GLU 103 -2.028 -6.719 -34.408 802 HG2 GLU 103 HG2 GLU 103 -4.299 -5.059 -35.555 803 HG3 GLU 103 HG3 GLU 103 -3.761 -4.911 -33.887 804 H LEU 104 H LEU 104 -5.228 -7.711 -35.270 805 HA LEU 104 HA LEU 104 -6.980 -8.052 -37.336 806 HB2 LEU 104 HB2 LEU 104 -8.494 -7.964 -35.611 807 HB3 LEU 104 HB3 LEU 104 -7.121 -8.618 -34.984 808 HG LEU 104 HG LEU 104 -6.510 -6.663 -33.718 809 HD11 LEU 104 HD11 LEU 104 -8.937 -5.394 -35.046 810 HD12 LEU 104 HD12 LEU 104 -8.133 -4.735 -33.605 811 HD13 LEU 104 HD13 LEU 104 -7.250 -4.773 -35.147 812 HD21 LEU 104 HD21 LEU 104 -8.330 -8.283 -33.023 813 HD22 LEU 104 HD22 LEU 104 -8.628 -6.635 -32.365 814 HD23 LEU 104 HD23 LEU 104 -9.486 -7.191 -33.834 815 HA PRO 105 HA PRO 105 -8.070 -4.502 -39.351 816 HB2 PRO 105 HB2 PRO 105 -10.632 -4.912 -39.887 817 HB3 PRO 105 HB3 PRO 105 -9.508 -6.370 -39.889 818 HG2 PRO 105 HG2 PRO 105 -11.158 -5.592 -37.538 819 HG3 PRO 105 HG3 PRO 105 -11.234 -7.120 -38.521 820 HD2 PRO 105 HD2 PRO 105 -9.569 -6.809 -36.417 821 HD3 PRO 105 HD3 PRO 105 -9.086 -7.783 -37.849 822 H GLU 106 H GLU 106 -9.809 -2.671 -39.610 823 HA GLU 106 HA GLU 106 -9.648 -1.067 -37.199 824 HB2 GLU 106 HB2 GLU 106 -9.195 -0.379 -39.642 825 HB3 GLU 106 HB3 GLU 106 -10.950 -0.293 -39.833 826 HG2 GLU 106 HG2 GLU 106 -11.052 1.399 -38.018 827 HG3 GLU 106 HG3 GLU 106 -9.317 1.213 -37.735 828 H GLY 107 H GLY 107 -11.559 -3.431 -37.275 829 HA2 GLY 107 HA2 GLY 107 -13.927 -2.020 -36.249 830 HA3 GLY 107 HA3 GLY 107 -14.190 -3.002 -37.699 831 H TYR 108 H TYR 108 -11.868 -3.836 -35.128 832 HA TYR 108 HA TYR 108 -13.643 -5.966 -34.073 833 HB2 TYR 108 HB2 TYR 108 -12.381 -6.858 -36.047 834 HB3 TYR 108 HB3 TYR 108 -10.885 -6.291 -35.293 835 HD1 TYR 108 HD2 TYR 108 -12.814 -7.772 -32.692 836 HD2 TYR 108 HD1 TYR 108 -10.439 -8.634 -36.170 837 HE1 TYR 108 HE2 TYR 108 -12.109 -9.900 -31.671 838 HE2 TYR 108 HE1 TYR 108 -9.635 -10.713 -35.124 839 HH TYR 108 HH TYR 108 -9.804 -12.123 -33.309 840 H ASP 109 H ASP 109 -13.374 -6.142 -31.905 841 HA ASP 109 HA ASP 109 -10.721 -5.711 -30.759 842 HB2 ASP 109 HB2 ASP 109 -12.032 -3.530 -30.610 843 HB3 ASP 109 HB3 ASP 109 -13.206 -4.375 -29.594 844 H ARG 110 H ARG 110 -10.687 -6.610 -28.452 845 HA ARG 110 HA ARG 110 -12.636 -8.830 -28.150 846 HB2 ARG 110 HB2 ARG 110 -10.697 -9.398 -29.747 847 HB3 ARG 110 HB3 ARG 110 -9.649 -9.338 -28.323 848 HG2 ARG 110 HG2 ARG 110 -11.067 -11.132 -27.266 849 HG3 ARG 110 HG3 ARG 110 -12.054 -11.165 -28.742 850 HD2 ARG 110 HD2 ARG 110 -9.997 -11.747 -30.046 851 HD3 ARG 110 HD3 ARG 110 -9.073 -11.754 -28.534 852 HE ARG 110 HE ARG 110 -10.248 -13.709 -27.815 853 HH11 ARG 110 HH11 ARG 110 -11.092 -12.720 -31.109 854 HH12 ARG 110 HH12 ARG 110 -11.808 -14.263 -31.507 855 HH21 ARG 110 HH21 ARG 110 -11.174 -15.709 -28.375 856 HH22 ARG 110 HH22 ARG 110 -11.845 -15.952 -29.972 857 H SER 111 H SER 111 -11.019 -6.358 -26.646 858 HA SER 111 HA SER 111 -11.205 -7.693 -24.022 859 HB2 SER 111 HB2 SER 111 -8.933 -7.001 -23.371 860 HB3 SER 111 HB3 SER 111 -8.899 -8.161 -24.711 861 HG SER 111 HG SER 111 -8.694 -6.347 -26.127 862 H1 ALA 701 H1 ALA 701 17.057 17.657 -14.795 863 H2 ALA 701 H2 ALA 701 16.922 18.225 -16.341 864 H3 ALA 701 H3 ALA 701 15.703 18.477 -15.264 865 HA ALA 701 HA ALA 701 18.326 19.677 -15.259 866 HB1 ALA 701 HB1 ALA 701 16.669 20.692 -16.775 867 HB2 ALA 701 HB2 ALA 701 15.506 20.873 -15.466 868 HB3 ALA 701 HB3 ALA 701 17.051 21.769 -15.382 869 H ASP 702 H ASP 702 19.185 19.632 -13.260 870 HA ASP 702 HA ASP 702 19.395 19.578 -11.028 871 HB2 ASP 702 HB2 ASP 702 19.057 21.957 -11.560 872 HB3 ASP 702 HB3 ASP 702 17.329 21.801 -11.112 873 H THR 703 H THR 703 17.485 17.682 -11.992 874 HA THR 703 HA THR 703 16.117 17.079 -9.407 875 HB THR 703 HB THR 703 14.393 18.347 -10.623 876 HG1 THR 703 HG1 THR 703 12.925 16.739 -10.401 877 HG21 THR 703 HG21 THR 703 14.770 16.190 -12.753 878 HG22 THR 703 HG22 THR 703 13.574 17.515 -12.766 879 HG23 THR 703 HG23 THR 703 15.312 17.872 -12.917 880 H GLU 704 H GLU 704 15.969 15.033 -8.939 881 HA GLU 704 HA GLU 704 17.231 13.013 -10.546 882 HB2 GLU 704 HB2 GLU 704 16.291 11.487 -8.851 883 HB3 GLU 704 HB3 GLU 704 17.077 12.890 -8.108 884 HG2 GLU 704 HG2 GLU 704 14.897 13.974 -7.799 885 HG3 GLU 704 HG3 GLU 704 14.071 12.601 -8.549 886 H MET 705 H MET 705 14.257 14.628 -10.841 887 HA MET 705 HA MET 705 12.476 12.689 -11.800 888 HB2 MET 705 HB2 MET 705 12.338 15.359 -11.523 889 HB3 MET 705 HB3 MET 705 12.856 15.336 -13.224 890 HG2 MET 705 HG2 MET 705 10.672 15.207 -13.668 891 HG3 MET 705 HG3 MET 705 10.774 13.512 -13.156 892 HE1 MET 705 HE1 MET 705 11.514 14.084 -10.061 893 HE2 MET 705 HE2 MET 705 9.903 13.791 -9.358 894 HE3 MET 705 HE3 MET 705 10.461 12.774 -10.715 895 H GLU 706 H GLU 706 15.458 13.887 -13.050 896 HA GLU 706 HA GLU 706 14.942 12.556 -15.663 897 HB2 GLU 706 HB2 GLU 706 15.105 15.105 -15.537 898 HB3 GLU 706 HB3 GLU 706 16.820 14.897 -15.239 899 HG2 GLU 706 HG2 GLU 706 16.988 13.624 -17.407 900 HG3 GLU 706 HG3 GLU 706 15.225 13.750 -17.585 901 H GLU 707 H GLU 707 15.884 11.368 -13.203 902 HA GLU 707 HA GLU 707 18.310 10.088 -14.273 903 HB2 GLU 707 HB2 GLU 707 19.000 11.867 -12.639 904 HB3 GLU 707 HB3 GLU 707 17.997 11.085 -11.407 905 HG2 GLU 707 HG2 GLU 707 20.329 10.457 -11.128 906 HG3 GLU 707 HG3 GLU 707 19.388 9.039 -11.572 907 H VAL 708 H VAL 708 18.600 7.898 -13.175 908 HA VAL 708 HA VAL 708 16.001 6.679 -13.109 909 HB VAL 708 HB VAL 708 16.964 4.676 -13.333 910 HG11 VAL 708 HG11 VAL 708 19.120 6.532 -14.338 911 HG12 VAL 708 HG12 VAL 708 18.826 4.857 -14.850 912 HG13 VAL 708 HG13 VAL 708 17.580 6.107 -15.160 913 HG21 VAL 708 HG21 VAL 708 19.464 5.680 -11.928 914 HG22 VAL 708 HG22 VAL 708 18.314 4.433 -11.355 915 HG23 VAL 708 HG23 VAL 708 19.327 4.112 -12.766 916 H ASP 709 H ASP 709 15.958 4.679 -11.375 917 HA ASP 709 HA ASP 709 14.780 4.520 -9.442 918 HB2 ASP 709 HB2 ASP 709 16.170 3.691 -7.727 919 HB3 ASP 709 HB3 ASP 709 16.695 3.118 -9.288 Start of MODEL 19 1 H1 SER 2 H1 SER 2 23.523 -6.442 -1.566 2 H2 SER 2 H2 SER 2 23.504 -5.658 -3.017 3 H3 SER 2 H3 SER 2 24.123 -7.181 -2.912 4 HA SER 2 HA SER 2 21.997 -8.082 -2.339 5 HB2 SER 2 HB2 SER 2 21.043 -5.232 -2.801 6 HB3 SER 2 HB3 SER 2 20.004 -6.641 -2.494 7 HG SER 2 HG SER 2 20.457 -5.460 -0.587 8 H GLN 3 H GLN 3 21.058 -9.163 -3.974 9 HA GLN 3 HA GLN 3 21.937 -8.691 -6.656 10 HB2 GLN 3 HB2 GLN 3 21.547 -10.926 -5.569 11 HB3 GLN 3 HB3 GLN 3 19.814 -10.607 -5.600 12 HG2 GLN 3 HG2 GLN 3 20.476 -12.006 -7.518 13 HG3 GLN 3 HG3 GLN 3 19.887 -10.449 -8.086 14 HE21 GLN 3 HE22 GLN 3 21.007 -10.175 -9.974 15 HE22 GLN 3 HE21 GLN 3 22.755 -10.188 -10.098 16 H PHE 4 H PHE 4 20.984 -6.362 -6.552 17 HA PHE 4 HA PHE 4 18.577 -6.324 -8.219 18 HB2 PHE 4 HB2 PHE 4 17.569 -6.325 -5.976 19 HB3 PHE 4 HB3 PHE 4 18.701 -5.089 -5.429 20 HD1 PHE 4 HD2 PHE 4 18.534 -2.700 -6.525 21 HD2 PHE 4 HD1 PHE 4 15.524 -5.757 -6.964 22 HE1 PHE 4 HE2 PHE 4 16.873 -0.984 -7.079 23 HE2 PHE 4 HE1 PHE 4 13.856 -4.018 -7.503 24 HZ PHE 4 HZ PHE 4 14.538 -1.618 -7.597 25 H GLU 5 H GLU 5 20.958 -4.729 -6.161 26 HA GLU 5 HA GLU 5 21.097 -2.194 -7.239 27 HB2 GLU 5 HB2 GLU 5 23.229 -4.076 -6.188 28 HB3 GLU 5 HB3 GLU 5 23.466 -2.350 -6.409 29 HG2 GLU 5 HG2 GLU 5 21.555 -1.865 -4.900 30 HG3 GLU 5 HG3 GLU 5 21.348 -3.597 -4.596 31 H LYS 6 H LYS 6 22.930 -5.196 -8.345 32 HA LYS 6 HA LYS 6 24.476 -3.566 -10.117 33 HB2 LYS 6 HB2 LYS 6 24.207 -6.408 -9.382 34 HB3 LYS 6 HB3 LYS 6 24.691 -6.155 -11.062 35 HG2 LYS 6 HG2 LYS 6 26.635 -6.354 -9.525 36 HG3 LYS 6 HG3 LYS 6 26.592 -4.836 -10.441 37 HD2 LYS 6 HD2 LYS 6 25.645 -3.673 -8.446 38 HD3 LYS 6 HD3 LYS 6 25.772 -5.185 -7.520 39 HE2 LYS 6 HE2 LYS 6 28.168 -5.206 -7.768 40 HE3 LYS 6 HE3 LYS 6 28.110 -3.913 -8.980 41 HZ1 LYS 6 HZ1 LYS 6 27.362 -3.600 -6.148 42 HZ2 LYS 6 HZ2 LYS 6 28.766 -3.080 -6.832 43 HZ3 LYS 6 HZ3 LYS 6 27.332 -2.423 -7.297 44 H GLN 7 H GLN 7 21.627 -5.742 -10.534 45 HA GLN 7 HA GLN 7 21.444 -5.506 -13.348 46 HB2 GLN 7 HB2 GLN 7 19.261 -5.940 -11.288 47 HB3 GLN 7 HB3 GLN 7 19.226 -6.368 -13.022 48 HG2 GLN 7 HG2 GLN 7 21.395 -7.676 -12.582 49 HG3 GLN 7 HG3 GLN 7 21.079 -7.468 -10.850 50 HE21 GLN 7 HE22 GLN 7 19.315 -8.416 -13.858 51 HE22 GLN 7 HE21 GLN 7 18.521 -9.790 -13.107 52 H LYS 8 H LYS 8 20.947 -3.237 -10.789 53 HA LYS 8 HA LYS 8 19.296 -1.399 -12.387 54 HB2 LYS 8 HB2 LYS 8 18.868 -1.830 -10.021 55 HB3 LYS 8 HB3 LYS 8 20.474 -1.252 -9.580 56 HG2 LYS 8 HG2 LYS 8 19.949 0.988 -10.268 57 HG3 LYS 8 HG3 LYS 8 18.426 0.458 -11.034 58 HD2 LYS 8 HD2 LYS 8 17.998 1.389 -8.757 59 HD3 LYS 8 HD3 LYS 8 17.553 -0.313 -8.912 60 HE2 LYS 8 HE2 LYS 8 18.678 -0.021 -6.797 61 HE3 LYS 8 HE3 LYS 8 19.733 -0.945 -7.853 62 HZ1 LYS 8 HZ1 LYS 8 19.940 1.959 -7.374 63 HZ2 LYS 8 HZ2 LYS 8 20.896 0.824 -6.676 64 HZ3 LYS 8 HZ3 LYS 8 20.970 1.068 -8.296 65 H GLU 9 H GLU 9 22.452 -1.045 -10.556 66 HA GLU 9 HA GLU 9 23.109 1.307 -11.987 67 HB2 GLU 9 HB2 GLU 9 25.346 1.102 -11.081 68 HB3 GLU 9 HB3 GLU 9 24.093 0.923 -9.839 69 HG2 GLU 9 HG2 GLU 9 24.450 -1.367 -9.614 70 HG3 GLU 9 HG3 GLU 9 25.203 -1.506 -11.216 71 H GLN 10 H GLN 10 23.598 -2.056 -12.990 72 HA GLN 10 HA GLN 10 25.572 -1.402 -14.979 73 HB2 GLN 10 HB2 GLN 10 24.815 -3.767 -14.162 74 HB3 GLN 10 HB3 GLN 10 23.396 -3.527 -15.191 75 HG2 GLN 10 HG2 GLN 10 25.245 -2.923 -17.021 76 HG3 GLN 10 HG3 GLN 10 26.279 -3.898 -15.966 77 HE21 GLN 10 HE22 GLN 10 23.497 -3.830 -18.124 78 HE22 GLN 10 HE21 GLN 10 23.279 -5.561 -18.266 79 H GLY 11 H GLY 11 21.998 -1.418 -15.019 80 HA2 GLY 11 HA2 GLY 11 21.925 -0.583 -17.839 81 HA3 GLY 11 HA3 GLY 11 20.551 -0.855 -16.749 82 H ASN 12 H ASN 12 22.016 0.904 -14.656 83 HA ASN 12 HA ASN 12 20.623 3.316 -15.188 84 HB2 ASN 12 HB2 ASN 12 23.042 2.762 -13.436 85 HB3 ASN 12 HB3 ASN 12 22.138 4.279 -13.408 86 HD21 ASN 12 HD22 ASN 12 22.374 3.197 -11.063 87 HD22 ASN 12 HD21 ASN 12 21.000 2.239 -10.552 88 H SER 13 H SER 13 23.850 2.210 -16.223 89 HA SER 13 HA SER 13 24.530 4.946 -17.098 90 HB2 SER 13 HB2 SER 13 26.619 3.934 -17.854 91 HB3 SER 13 HB3 SER 13 26.265 3.496 -16.166 92 HG SER 13 HG SER 13 26.913 1.684 -17.402 93 H LEU 14 H LEU 14 23.493 1.803 -18.518 94 HA LEU 14 HA LEU 14 23.741 2.373 -21.263 95 HB2 LEU 14 HB2 LEU 14 21.707 0.784 -19.714 96 HB3 LEU 14 HB3 LEU 14 21.982 0.707 -21.456 97 HG LEU 14 HG LEU 14 23.653 -0.330 -19.207 98 HD11 LEU 14 HD11 LEU 14 23.209 -0.965 -22.107 99 HD12 LEU 14 HD12 LEU 14 23.971 -2.076 -20.919 100 HD13 LEU 14 HD13 LEU 14 22.239 -1.631 -20.743 101 HD21 LEU 14 HD21 LEU 14 25.336 1.216 -20.224 102 HD22 LEU 14 HD22 LEU 14 25.685 -0.472 -20.608 103 HD23 LEU 14 HD23 LEU 14 24.929 0.556 -21.839 104 H PHE 15 H PHE 15 21.128 3.218 -18.937 105 HA PHE 15 HA PHE 15 19.241 4.181 -20.810 106 HB2 PHE 15 HB2 PHE 15 18.492 3.809 -18.623 107 HB3 PHE 15 HB3 PHE 15 19.871 4.646 -17.903 108 HD1 PHE 15 HD1 PHE 15 16.731 5.287 -19.851 109 HD2 PHE 15 HD2 PHE 15 19.783 6.897 -17.275 110 HE1 PHE 15 HE1 PHE 15 15.429 7.384 -19.603 111 HE2 PHE 15 HE2 PHE 15 18.403 8.893 -16.878 112 HZ PHE 15 HZ PHE 15 16.254 9.184 -18.088 113 H LYS 16 H LYS 16 22.219 5.589 -19.602 114 HA LYS 16 HA LYS 16 21.416 8.286 -20.408 115 HB2 LYS 16 HB2 LYS 16 24.148 7.468 -19.436 116 HB3 LYS 16 HB3 LYS 16 23.284 9.018 -19.219 117 HG2 LYS 16 HG2 LYS 16 21.658 7.826 -17.720 118 HG3 LYS 16 HG3 LYS 16 22.598 6.341 -17.948 119 HD2 LYS 16 HD2 LYS 16 23.374 7.188 -15.927 120 HD3 LYS 16 HD3 LYS 16 24.635 7.648 -17.085 121 HE2 LYS 16 HE2 LYS 16 23.553 9.906 -17.281 122 HE3 LYS 16 HE3 LYS 16 22.358 9.402 -16.069 123 HZ1 LYS 16 HZ1 LYS 16 25.267 9.586 -15.627 124 HZ2 LYS 16 HZ2 LYS 16 24.151 10.663 -15.086 125 HZ3 LYS 16 HZ3 LYS 16 24.156 9.129 -14.504 126 H GLN 17 H GLN 17 22.605 5.614 -22.100 127 HA GLN 17 HA GLN 17 24.627 7.121 -23.668 128 HB2 GLN 17 HB2 GLN 17 23.959 4.168 -23.307 129 HB3 GLN 17 HB3 GLN 17 25.076 4.768 -24.532 130 HG2 GLN 17 HG2 GLN 17 26.328 5.978 -22.704 131 HG3 GLN 17 HG3 GLN 17 25.359 5.076 -21.528 132 HE21 GLN 17 HE22 GLN 17 25.212 2.550 -22.333 133 HE22 GLN 17 HE21 GLN 17 26.788 1.838 -22.585 134 H GLY 18 H GLY 18 21.351 5.901 -23.896 135 HA2 GLY 18 HA2 GLY 18 20.342 6.916 -26.095 136 HA3 GLY 18 HA3 GLY 18 21.595 5.838 -26.847 137 H LEU 19 H LEU 19 21.229 3.872 -24.675 138 HA LEU 19 HA LEU 19 19.246 2.451 -26.350 139 HB2 LEU 19 HB2 LEU 19 20.702 0.454 -25.495 140 HB3 LEU 19 HB3 LEU 19 21.049 1.391 -26.924 141 HG LEU 19 HG LEU 19 22.676 2.776 -25.392 142 HD11 LEU 19 HD11 LEU 19 22.286 0.270 -23.707 143 HD12 LEU 19 HD12 LEU 19 23.427 1.592 -23.374 144 HD13 LEU 19 HD13 LEU 19 21.669 1.872 -23.271 145 HD21 LEU 19 HD21 LEU 19 23.437 1.124 -27.069 146 HD22 LEU 19 HD22 LEU 19 24.433 1.045 -25.594 147 HD23 LEU 19 HD23 LEU 19 23.184 -0.187 -25.901 148 H TYR 20 H TYR 20 17.941 3.651 -24.868 149 HA TYR 20 HA TYR 20 17.452 3.267 -22.209 150 HB2 TYR 20 HB2 TYR 20 15.415 3.376 -24.447 151 HB3 TYR 20 HB3 TYR 20 15.161 4.015 -22.840 152 HD1 TYR 20 HD2 TYR 20 17.447 5.575 -22.157 153 HD2 TYR 20 HD1 TYR 20 15.654 5.060 -26.033 154 HE1 TYR 20 HE2 TYR 20 18.441 7.732 -22.906 155 HE2 TYR 20 HE1 TYR 20 16.640 7.210 -26.785 156 HH TYR 20 HH TYR 20 17.904 9.025 -26.204 157 H ARG 21 H ARG 21 16.530 1.015 -24.898 158 HA ARG 21 HA ARG 21 14.839 -0.627 -23.148 159 HB2 ARG 21 HB2 ARG 21 14.367 -0.064 -25.498 160 HB3 ARG 21 HB3 ARG 21 15.894 -0.791 -26.006 161 HG2 ARG 21 HG2 ARG 21 13.776 -2.060 -26.318 162 HG3 ARG 21 HG3 ARG 21 15.163 -2.952 -25.630 163 HD2 ARG 21 HD2 ARG 21 14.104 -3.302 -23.624 164 HD3 ARG 21 HD3 ARG 21 13.224 -1.763 -23.681 165 HE ARG 21 HE ARG 21 12.373 -4.347 -24.791 166 HH11 ARG 21 HH11 ARG 21 11.868 -0.853 -24.709 167 HH12 ARG 21 HH12 ARG 21 10.227 -0.954 -25.299 168 HH21 ARG 21 HH21 ARG 21 10.225 -4.451 -25.570 169 HH22 ARG 21 HH22 ARG 21 9.303 -2.980 -25.787 170 H GLU 22 H GLU 22 18.161 -0.689 -24.508 171 HA GLU 22 HA GLU 22 18.740 -3.356 -23.567 172 HB2 GLU 22 HB2 GLU 22 20.583 -0.978 -23.925 173 HB3 GLU 22 HB3 GLU 22 21.081 -2.668 -23.733 174 HG2 GLU 22 HG2 GLU 22 19.303 -1.613 -25.980 175 HG3 GLU 22 HG3 GLU 22 21.035 -1.946 -26.088 176 H ALA 23 H ALA 23 18.623 -0.122 -22.179 177 HA ALA 23 HA ALA 23 19.838 -0.780 -19.647 178 HB1 ALA 23 HB1 ALA 23 19.080 1.447 -18.981 179 HB2 ALA 23 HB2 ALA 23 19.735 1.521 -20.637 180 HB3 ALA 23 HB3 ALA 23 17.987 1.544 -20.367 181 H VAL 24 H VAL 24 16.424 -0.952 -20.915 182 HA VAL 24 HA VAL 24 15.369 -1.113 -18.270 183 HB VAL 24 HB VAL 24 13.368 -1.336 -19.155 184 HG11 VAL 24 HG11 VAL 24 14.252 0.215 -21.538 185 HG12 VAL 24 HG12 VAL 24 12.930 0.479 -20.408 186 HG13 VAL 24 HG13 VAL 24 14.605 0.821 -19.887 187 HG21 VAL 24 HG21 VAL 24 12.607 -1.896 -21.308 188 HG22 VAL 24 HG22 VAL 24 14.277 -2.428 -21.743 189 HG23 VAL 24 HG23 VAL 24 13.368 -3.202 -20.390 190 H HIS 25 H HIS 25 16.668 -3.039 -20.686 191 HA HIS 25 HA HIS 25 15.521 -5.548 -20.282 192 HB2 HIS 25 HB2 HIS 25 17.416 -4.324 -21.912 193 HB3 HIS 25 HB3 HIS 25 18.348 -5.553 -21.147 194 HD2 HIS 25 HD2 HIS 25 16.717 -5.034 -24.164 195 HE1 HIS 25 HE1 HIS 25 15.233 -8.935 -23.358 196 HE2 HIS 25 HE2 HIS 25 15.544 -7.173 -25.166 197 H CYS 26 H CYS 26 17.435 -3.838 -18.109 198 HA CYS 26 HA CYS 26 18.053 -6.325 -16.585 199 HB2 CYS 26 HB2 CYS 26 19.672 -3.750 -16.699 200 HB3 CYS 26 HB3 CYS 26 20.010 -5.140 -15.640 201 HG CYS 26 HG CYS 26 20.197 -6.889 -17.586 202 H TYR 27 H TYR 27 16.864 -3.029 -16.721 203 HA TYR 27 HA TYR 27 16.081 -2.549 -14.030 204 HB2 TYR 27 HB2 TYR 27 14.928 -2.007 -16.776 205 HB3 TYR 27 HB3 TYR 27 14.211 -1.283 -15.414 206 HD1 TYR 27 HD2 TYR 27 17.690 -1.239 -14.660 207 HD2 TYR 27 HD1 TYR 27 14.704 0.600 -17.160 208 HE1 TYR 27 HE2 TYR 27 19.090 0.791 -14.847 209 HE2 TYR 27 HE1 TYR 27 16.057 2.637 -17.319 210 HH TYR 27 HH TYR 27 18.016 3.668 -16.694 211 H ASP 28 H ASP 28 14.719 -4.568 -16.643 212 HA ASP 28 HA ASP 28 12.141 -4.907 -15.486 213 HB2 ASP 28 HB2 ASP 28 12.803 -5.252 -17.896 214 HB3 ASP 28 HB3 ASP 28 13.622 -6.746 -17.391 215 H GLN 29 H GLN 29 15.279 -6.560 -14.930 216 HA GLN 29 HA GLN 29 14.002 -8.711 -13.494 217 HB2 GLN 29 HB2 GLN 29 16.898 -7.767 -13.628 218 HB3 GLN 29 HB3 GLN 29 16.343 -9.162 -12.689 219 HG2 GLN 29 HG2 GLN 29 16.819 -10.303 -14.570 220 HG3 GLN 29 HG3 GLN 29 15.181 -9.822 -15.011 221 HE21 GLN 29 HE22 GLN 29 14.910 -8.598 -16.869 222 HE22 GLN 29 HE21 GLN 29 16.229 -7.892 -17.788 223 H LEU 30 H LEU 30 14.735 -5.403 -12.680 224 HA LEU 30 HA LEU 30 15.066 -5.736 -9.818 225 HB2 LEU 30 HB2 LEU 30 13.768 -3.479 -11.363 226 HB3 LEU 30 HB3 LEU 30 14.445 -3.384 -9.723 227 HG LEU 30 HG LEU 30 15.846 -3.700 -12.354 228 HD11 LEU 30 HD11 LEU 30 16.231 -1.765 -10.039 229 HD12 LEU 30 HD12 LEU 30 17.050 -1.697 -11.614 230 HD13 LEU 30 HD13 LEU 30 15.273 -1.440 -11.504 231 HD21 LEU 30 HD21 LEU 30 17.032 -4.051 -9.556 232 HD22 LEU 30 HD22 LEU 30 16.945 -5.302 -10.825 233 HD23 LEU 30 HD23 LEU 30 17.986 -3.882 -11.050 234 H ILE 31 H ILE 31 12.301 -5.543 -12.054 235 HA ILE 31 HA ILE 31 10.346 -5.525 -9.889 236 HB ILE 31 HB ILE 31 9.887 -6.285 -12.805 237 HG12 ILE 31 HG12 ILE 31 8.955 -3.686 -12.472 238 HG13 ILE 31 HG13 ILE 31 10.474 -3.652 -11.568 239 HG21 ILE 31 HG21 ILE 31 8.259 -5.084 -10.551 240 HG22 ILE 31 HG22 ILE 31 7.625 -5.457 -12.178 241 HG23 ILE 31 HG23 ILE 31 8.164 -6.792 -11.106 242 HD11 ILE 31 HD11 ILE 31 10.691 -3.039 -13.993 243 HD12 ILE 31 HD12 ILE 31 11.684 -4.449 -13.520 244 HD13 ILE 31 HD13 ILE 31 10.159 -4.677 -14.421 245 H THR 32 H THR 32 11.918 -8.018 -11.936 246 HA THR 32 HA THR 32 10.159 -10.064 -10.815 247 HB THR 32 HB THR 32 12.772 -10.053 -12.399 248 HG1 THR 32 HG1 THR 32 11.401 -10.712 -14.078 249 HG21 THR 32 HG21 THR 32 11.109 -12.508 -11.727 250 HG22 THR 32 HG22 THR 32 12.454 -12.441 -12.895 251 HG23 THR 32 HG23 THR 32 12.773 -12.151 -11.180 252 H ALA 33 H ALA 33 13.248 -8.626 -9.872 253 HA ALA 33 HA ALA 33 13.786 -10.766 -7.962 254 HB1 ALA 33 HB1 ALA 33 14.964 -7.958 -8.234 255 HB2 ALA 33 HB2 ALA 33 15.619 -9.256 -7.222 256 HB3 ALA 33 HB3 ALA 33 15.626 -9.431 -8.991 257 H GLN 34 H GLN 34 12.182 -7.629 -8.081 258 HA GLN 34 HA GLN 34 11.112 -8.031 -5.394 259 HB2 GLN 34 HB2 GLN 34 13.361 -6.578 -5.724 260 HB3 GLN 34 HB3 GLN 34 12.254 -5.341 -6.227 261 HG2 GLN 34 HG2 GLN 34 11.261 -5.293 -3.970 262 HG3 GLN 34 HG3 GLN 34 12.023 -6.853 -3.585 263 HE21 GLN 34 HE22 GLN 34 13.725 -4.522 -5.544 264 HE22 GLN 34 HE21 GLN 34 15.027 -4.224 -4.447 265 HA PRO 35 HA PRO 35 8.210 -6.684 -8.716 266 HB2 PRO 35 HB2 PRO 35 6.282 -8.597 -8.054 267 HB3 PRO 35 HB3 PRO 35 7.602 -8.756 -9.241 268 HG2 PRO 35 HG2 PRO 35 7.438 -10.030 -6.565 269 HG3 PRO 35 HG3 PRO 35 8.434 -10.480 -7.981 270 HD2 PRO 35 HD2 PRO 35 9.350 -9.149 -5.709 271 HD3 PRO 35 HD3 PRO 35 10.195 -9.454 -7.255 272 H GLN 36 H GLN 36 8.277 -6.967 -5.458 273 HA GLN 36 HA GLN 36 6.111 -4.971 -5.131 274 HB2 GLN 36 HB2 GLN 36 7.647 -6.447 -2.950 275 HB3 GLN 36 HB3 GLN 36 6.284 -5.352 -2.701 276 HG2 GLN 36 HG2 GLN 36 4.884 -7.095 -2.908 277 HG3 GLN 36 HG3 GLN 36 5.386 -7.263 -4.596 278 HE21 GLN 36 HE22 GLN 36 7.098 -8.758 -5.119 279 HE22 GLN 36 HE21 GLN 36 7.598 -10.014 -4.006 280 H ASN 37 H ASN 37 8.355 -4.112 -6.492 281 HA ASN 37 HA ASN 37 9.186 -1.900 -4.687 282 HB2 ASN 37 HB2 ASN 37 11.422 -2.528 -4.741 283 HB3 ASN 37 HB3 ASN 37 10.887 -4.019 -5.483 284 HD21 ASN 37 HD22 ASN 37 10.658 -4.111 -7.792 285 HD22 ASN 37 HD21 ASN 37 11.799 -3.212 -8.791 286 HA PRO 38 HA PRO 38 8.038 0.409 -8.156 287 HB2 PRO 38 HB2 PRO 38 8.559 2.783 -7.231 288 HB3 PRO 38 HB3 PRO 38 7.424 1.685 -6.363 289 HG2 PRO 38 HG2 PRO 38 10.333 2.269 -5.651 290 HG3 PRO 38 HG3 PRO 38 8.900 2.223 -4.559 291 HD2 PRO 38 HD2 PRO 38 10.658 0.105 -5.071 292 HD3 PRO 38 HD3 PRO 38 8.971 -0.066 -4.474 293 H VAL 39 H VAL 39 11.494 1.341 -7.007 294 HA VAL 39 HA VAL 39 12.185 2.635 -9.303 295 HB VAL 39 HB VAL 39 14.027 2.638 -8.343 296 HG11 VAL 39 HG11 VAL 39 14.822 1.604 -6.504 297 HG12 VAL 39 HG12 VAL 39 13.104 1.965 -6.277 298 HG13 VAL 39 HG13 VAL 39 13.622 0.269 -6.587 299 HG21 VAL 39 HG21 VAL 39 14.476 -0.256 -9.104 300 HG22 VAL 39 HG22 VAL 39 14.870 1.196 -10.061 301 HG23 VAL 39 HG23 VAL 39 15.732 0.875 -8.547 302 H GLY 40 H GLY 40 11.705 -0.692 -8.838 303 HA2 GLY 40 HA2 GLY 40 12.674 -1.934 -11.239 304 HA3 GLY 40 HA3 GLY 40 11.293 -2.470 -10.364 305 H TYR 41 H TYR 41 9.354 -0.553 -10.713 306 HA TYR 41 HA TYR 41 8.721 -0.577 -13.519 307 HB2 TYR 41 HB2 TYR 41 7.661 0.950 -11.118 308 HB3 TYR 41 HB3 TYR 41 6.819 0.876 -12.633 309 HD1 TYR 41 HD1 TYR 41 6.058 -1.412 -13.517 310 HD2 TYR 41 HD2 TYR 41 7.350 -0.711 -9.492 311 HE1 TYR 41 HE1 TYR 41 4.945 -3.526 -12.807 312 HE2 TYR 41 HE2 TYR 41 6.251 -2.834 -8.756 313 HH TYR 41 HH TYR 41 4.489 -4.947 -11.057 314 H SER 42 H SER 42 10.285 1.669 -11.284 315 HA SER 42 HA SER 42 9.524 4.063 -12.667 316 HB2 SER 42 HB2 SER 42 11.829 3.782 -10.717 317 HB3 SER 42 HB3 SER 42 10.877 5.228 -11.101 318 HG SER 42 HG SER 42 9.824 2.881 -9.925 319 H ASN 43 H ASN 43 12.551 2.071 -12.790 320 HA ASN 43 HA ASN 43 13.759 4.130 -14.503 321 HB2 ASN 43 HB2 ASN 43 15.684 2.682 -14.563 322 HB3 ASN 43 HB3 ASN 43 15.190 3.160 -12.932 323 HD21 ASN 43 HD22 ASN 43 16.764 1.342 -12.521 324 HD22 ASN 43 HD21 ASN 43 16.067 -0.259 -12.361 325 H LYS 44 H LYS 44 12.476 0.773 -14.887 326 HA LYS 44 HA LYS 44 12.775 0.525 -17.736 327 HB2 LYS 44 HB2 LYS 44 12.106 -1.303 -16.358 328 HB3 LYS 44 HB3 LYS 44 10.626 -0.451 -15.851 329 HG2 LYS 44 HG2 LYS 44 9.746 -0.492 -18.114 330 HG3 LYS 44 HG3 LYS 44 11.292 -1.043 -18.768 331 HD2 LYS 44 HD2 LYS 44 9.711 -2.888 -18.699 332 HD3 LYS 44 HD3 LYS 44 11.044 -3.199 -17.578 333 HE2 LYS 44 HE2 LYS 44 9.656 -2.540 -15.673 334 HE3 LYS 44 HE3 LYS 44 8.365 -2.006 -16.762 335 HZ1 LYS 44 HZ1 LYS 44 8.085 -4.262 -17.484 336 HZ2 LYS 44 HZ2 LYS 44 9.329 -4.783 -16.557 337 HZ3 LYS 44 HZ3 LYS 44 7.960 -4.204 -15.848 338 H ALA 45 H ALA 45 10.652 2.499 -15.668 339 HA ALA 45 HA ALA 45 8.788 3.067 -17.859 340 HB1 ALA 45 HB1 ALA 45 7.793 4.686 -16.252 341 HB2 ALA 45 HB2 ALA 45 7.930 3.052 -15.589 342 HB3 ALA 45 HB3 ALA 45 9.085 4.312 -15.091 343 H MET 46 H MET 46 11.326 4.940 -16.090 344 HA MET 46 HA MET 46 11.082 7.340 -17.503 345 HB2 MET 46 HB2 MET 46 12.643 6.443 -15.519 346 HB3 MET 46 HB3 MET 46 13.813 6.267 -16.836 347 HG2 MET 46 HG2 MET 46 12.364 8.792 -15.948 348 HG3 MET 46 HG3 MET 46 14.077 8.402 -15.738 349 HE1 MET 46 HE1 MET 46 11.251 9.065 -18.439 350 HE2 MET 46 HE2 MET 46 11.681 10.546 -17.557 351 HE3 MET 46 HE3 MET 46 12.059 10.394 -19.294 352 H ALA 47 H ALA 47 12.725 4.295 -18.366 353 HA ALA 47 HA ALA 47 14.017 5.295 -20.724 354 HB1 ALA 47 HB1 ALA 47 14.788 3.320 -19.529 355 HB2 ALA 47 HB2 ALA 47 13.220 2.526 -19.781 356 HB3 ALA 47 HB3 ALA 47 14.289 2.833 -21.171 357 H LEU 48 H LEU 48 10.803 3.746 -20.118 358 HA LEU 48 HA LEU 48 10.121 3.441 -22.886 359 HB2 LEU 48 HB2 LEU 48 8.462 3.719 -20.360 360 HB3 LEU 48 HB3 LEU 48 7.752 3.425 -21.956 361 HG LEU 48 HG LEU 48 9.856 1.619 -20.704 362 HD11 LEU 48 HD11 LEU 48 7.915 0.119 -20.196 363 HD12 LEU 48 HD12 LEU 48 7.825 1.651 -19.299 364 HD13 LEU 48 HD13 LEU 48 6.808 1.406 -20.736 365 HD21 LEU 48 HD21 LEU 48 9.223 0.010 -22.335 366 HD22 LEU 48 HD22 LEU 48 7.874 1.005 -22.905 367 HD23 LEU 48 HD23 LEU 48 9.561 1.529 -23.198 368 H ILE 49 H ILE 49 10.172 6.310 -20.789 369 HA ILE 49 HA ILE 49 8.522 7.870 -22.628 370 HB ILE 49 HB ILE 49 10.421 8.470 -20.328 371 HG12 ILE 49 HG12 ILE 49 8.345 9.839 -19.627 372 HG13 ILE 49 HG13 ILE 49 7.476 8.974 -20.891 373 HG21 ILE 49 HG21 ILE 49 9.249 10.547 -22.205 374 HG22 ILE 49 HG22 ILE 49 10.065 10.882 -20.673 375 HG23 ILE 49 HG23 ILE 49 10.988 10.153 -21.992 376 HD11 ILE 49 HD11 ILE 49 8.050 6.811 -19.844 377 HD12 ILE 49 HD12 ILE 49 8.976 7.673 -18.580 378 HD13 ILE 49 HD13 ILE 49 7.219 7.873 -18.689 379 H LYS 50 H LYS 50 12.063 7.579 -22.013 380 HA LYS 50 HA LYS 50 12.891 9.080 -24.224 381 HB2 LYS 50 HB2 LYS 50 13.953 7.561 -22.050 382 HB3 LYS 50 HB3 LYS 50 14.703 6.956 -23.536 383 HG2 LYS 50 HG2 LYS 50 16.022 8.822 -22.707 384 HG3 LYS 50 HG3 LYS 50 15.167 9.351 -24.180 385 HD2 LYS 50 HD2 LYS 50 14.949 11.107 -22.573 386 HD3 LYS 50 HD3 LYS 50 13.367 10.317 -22.608 387 HE2 LYS 50 HE2 LYS 50 13.784 9.227 -20.530 388 HE3 LYS 50 HE3 LYS 50 15.531 9.476 -20.668 389 HZ1 LYS 50 HZ1 LYS 50 13.562 11.635 -20.290 390 HZ2 LYS 50 HZ2 LYS 50 14.515 11.007 -19.104 391 HZ3 LYS 50 HZ3 LYS 50 15.188 11.821 -20.363 392 H LEU 51 H LEU 51 11.329 5.978 -24.243 393 HA LEU 51 HA LEU 51 12.383 5.375 -26.944 394 HB2 LEU 51 HB2 LEU 51 10.717 3.865 -24.903 395 HB3 LEU 51 HB3 LEU 51 11.009 3.272 -26.545 396 HG LEU 51 HG LEU 51 13.265 3.921 -24.597 397 HD11 LEU 51 HD11 LEU 51 11.902 1.270 -25.234 398 HD12 LEU 51 HD12 LEU 51 13.361 1.473 -24.223 399 HD13 LEU 51 HD13 LEU 51 11.805 2.138 -23.684 400 HD21 LEU 51 HD21 LEU 51 14.559 2.448 -26.099 401 HD22 LEU 51 HD22 LEU 51 13.139 2.263 -27.153 402 HD23 LEU 51 HD23 LEU 51 13.920 3.855 -26.970 403 H GLY 52 H GLY 52 9.738 6.597 -25.080 404 HA2 GLY 52 HA2 GLY 52 7.929 7.805 -25.673 405 HA3 GLY 52 HA3 GLY 52 8.186 7.491 -27.383 406 H GLU 53 H GLU 53 8.256 4.721 -25.303 407 HA GLU 53 HA GLU 53 5.518 3.871 -26.039 408 HB2 GLU 53 HB2 GLU 53 7.546 2.390 -24.313 409 HB3 GLU 53 HB3 GLU 53 6.246 1.693 -25.314 410 HG2 GLU 53 HG2 GLU 53 7.633 2.753 -27.300 411 HG3 GLU 53 HG3 GLU 53 8.952 2.758 -26.129 412 H TYR 54 H TYR 54 5.885 6.111 -24.548 413 HA TYR 54 HA TYR 54 5.225 6.358 -21.988 414 HB2 TYR 54 HB2 TYR 54 3.567 6.959 -24.398 415 HB3 TYR 54 HB3 TYR 54 3.287 7.763 -22.946 416 HD1 TYR 54 HD1 TYR 54 6.423 8.337 -22.478 417 HD2 TYR 54 HD2 TYR 54 3.837 8.557 -25.888 418 HE1 TYR 54 HE1 TYR 54 8.001 9.932 -23.567 419 HE2 TYR 54 HE2 TYR 54 5.482 10.033 -27.059 420 HH TYR 54 HH TYR 54 8.485 11.137 -25.459 421 H THR 55 H THR 55 3.070 4.804 -24.485 422 HA THR 55 HA THR 55 0.710 4.611 -23.039 423 HB THR 55 HB THR 55 1.775 2.404 -24.823 424 HG1 THR 55 HG1 THR 55 0.957 3.664 -26.516 425 HG21 THR 55 HG21 THR 55 -0.997 3.572 -24.293 426 HG22 THR 55 HG22 THR 55 -0.629 2.210 -25.384 427 HG23 THR 55 HG23 THR 55 -0.385 2.046 -23.629 428 H GLN 56 H GLN 56 3.559 2.668 -22.965 429 HA GLN 56 HA GLN 56 2.572 0.707 -20.989 430 HB2 GLN 56 HB2 GLN 56 5.360 1.176 -22.123 431 HB3 GLN 56 HB3 GLN 56 4.792 -0.261 -21.259 432 HG2 GLN 56 HG2 GLN 56 3.865 0.780 -23.979 433 HG3 GLN 56 HG3 GLN 56 4.874 -0.637 -23.693 434 HE21 GLN 56 HE22 GLN 56 1.640 0.724 -23.517 435 HE22 GLN 56 HE21 GLN 56 0.785 -0.787 -23.241 436 H ALA 57 H ALA 57 4.866 3.428 -21.148 437 HA ALA 57 HA ALA 57 5.949 3.288 -18.569 438 HB1 ALA 57 HB1 ALA 57 5.174 5.790 -20.136 439 HB2 ALA 57 HB2 ALA 57 6.465 5.655 -18.928 440 HB3 ALA 57 HB3 ALA 57 6.609 4.815 -20.499 441 H ILE 58 H ILE 58 2.880 4.716 -19.658 442 HA ILE 58 HA ILE 58 2.168 6.103 -17.285 443 HB ILE 58 HB ILE 58 0.520 4.759 -19.450 444 HG12 ILE 58 HG12 ILE 58 0.998 7.739 -19.251 445 HG13 ILE 58 HG13 ILE 58 2.262 6.716 -19.930 446 HG21 ILE 58 HG21 ILE 58 -0.913 5.234 -17.505 447 HG22 ILE 58 HG22 ILE 58 -0.322 6.915 -17.473 448 HG23 ILE 58 HG23 ILE 58 -1.285 6.342 -18.850 449 HD11 ILE 58 HD11 ILE 58 -0.623 6.889 -20.926 450 HD12 ILE 58 HD12 ILE 58 0.851 7.433 -21.774 451 HD13 ILE 58 HD13 ILE 58 0.570 5.711 -21.490 452 H GLN 59 H GLN 59 1.816 2.669 -18.331 453 HA GLN 59 HA GLN 59 0.143 1.895 -16.131 454 HB2 GLN 59 HB2 GLN 59 1.934 0.269 -17.972 455 HB3 GLN 59 HB3 GLN 59 0.624 -0.332 -16.935 456 HG2 GLN 59 HG2 GLN 59 0.468 1.363 -19.438 457 HG3 GLN 59 HG3 GLN 59 -0.280 -0.213 -19.113 458 HE21 GLN 59 HE22 GLN 59 -0.995 2.930 -19.539 459 HE22 GLN 59 HE21 GLN 59 -2.379 3.097 -18.460 460 H MET 60 H MET 60 3.642 1.940 -16.811 461 HA MET 60 HA MET 60 4.476 0.369 -14.532 462 HB2 MET 60 HB2 MET 60 5.949 2.551 -16.043 463 HB3 MET 60 HB3 MET 60 6.670 1.381 -14.927 464 HG2 MET 60 HG2 MET 60 5.444 0.816 -17.642 465 HG3 MET 60 HG3 MET 60 7.135 0.729 -17.174 466 HE1 MET 60 HE1 MET 60 3.931 -2.446 -16.912 467 HE2 MET 60 HE2 MET 60 3.561 -0.853 -16.209 468 HE3 MET 60 HE3 MET 60 4.054 -0.973 -17.911 469 H CYS 61 H CYS 61 4.014 3.907 -15.008 470 HA CYS 61 HA CYS 61 5.270 4.599 -12.527 471 HB2 CYS 61 HB2 CYS 61 3.329 6.089 -14.331 472 HB3 CYS 61 HB3 CYS 61 4.192 6.798 -12.943 473 HG CYS 61 HG CYS 61 5.438 5.257 -15.592 474 H GLN 62 H GLN 62 1.752 4.574 -13.447 475 HA GLN 62 HA GLN 62 0.811 4.904 -10.825 476 HB2 GLN 62 HB2 GLN 62 -1.295 3.932 -11.623 477 HB3 GLN 62 HB3 GLN 62 -0.629 5.200 -12.680 478 HG2 GLN 62 HG2 GLN 62 -0.952 3.788 -14.376 479 HG3 GLN 62 HG3 GLN 62 0.417 2.850 -13.748 480 HE21 GLN 62 HE22 GLN 62 -0.055 1.068 -12.233 481 HE22 GLN 62 HE21 GLN 62 -1.604 0.265 -12.305 482 H GLN 63 H GLN 63 2.054 1.874 -12.306 483 HA GLN 63 HA GLN 63 1.261 0.142 -10.140 484 HB2 GLN 63 HB2 GLN 63 2.849 0.066 -12.581 485 HB3 GLN 63 HB3 GLN 63 3.815 -0.561 -11.252 486 HG2 GLN 63 HG2 GLN 63 2.617 -2.315 -12.402 487 HG3 GLN 63 HG3 GLN 63 2.092 -2.208 -10.706 488 HE21 GLN 63 HE22 GLN 63 1.206 -1.592 -14.102 489 HE22 GLN 63 HE21 GLN 63 -0.518 -1.467 -13.815 490 H GLY 64 H GLY 64 4.329 2.010 -10.761 491 HA2 GLY 64 HA2 GLY 64 5.774 1.293 -8.566 492 HA3 GLY 64 HA3 GLY 64 5.721 2.938 -9.207 493 H LEU 65 H LEU 65 2.915 3.481 -8.545 494 HA LEU 65 HA LEU 65 3.302 4.479 -5.895 495 HB2 LEU 65 HB2 LEU 65 0.844 4.294 -7.678 496 HB3 LEU 65 HB3 LEU 65 0.898 5.212 -6.158 497 HG LEU 65 HG LEU 65 2.865 5.661 -8.424 498 HD11 LEU 65 HD11 LEU 65 0.479 6.065 -9.127 499 HD12 LEU 65 HD12 LEU 65 0.350 7.260 -7.817 500 HD13 LEU 65 HD13 LEU 65 1.509 7.510 -9.152 501 HD21 LEU 65 HD21 LEU 65 3.689 7.397 -7.175 502 HD22 LEU 65 HD22 LEU 65 2.100 7.826 -6.510 503 HD23 LEU 65 HD23 LEU 65 3.030 6.486 -5.812 504 H ARG 66 H ARG 66 2.459 1.343 -6.834 505 HA ARG 66 HA ARG 66 0.577 0.739 -4.665 506 HB2 ARG 66 HB2 ARG 66 2.126 -0.817 -6.785 507 HB3 ARG 66 HB3 ARG 66 0.938 -1.565 -5.756 508 HG2 ARG 66 HG2 ARG 66 -0.782 0.057 -6.628 509 HG3 ARG 66 HG3 ARG 66 0.448 0.729 -7.719 510 HD2 ARG 66 HD2 ARG 66 -0.785 -0.873 -8.972 511 HD3 ARG 66 HD3 ARG 66 0.832 -1.549 -8.649 512 HE ARG 66 HE ARG 66 -0.716 -2.502 -6.568 513 HH11 ARG 66 HH11 ARG 66 -0.966 -2.646 -10.090 514 HH12 ARG 66 HH12 ARG 66 -1.812 -4.176 -10.084 515 HH21 ARG 66 HH21 ARG 66 -1.791 -4.511 -6.589 516 HH22 ARG 66 HH22 ARG 66 -2.255 -5.241 -8.107 517 H TYR 67 H TYR 67 3.829 1.113 -5.290 518 HA TYR 67 HA TYR 67 4.781 -0.527 -2.998 519 HB2 TYR 67 HB2 TYR 67 6.162 0.260 -5.583 520 HB3 TYR 67 HB3 TYR 67 6.785 -0.870 -4.393 521 HD1 TYR 67 HD1 TYR 67 5.290 -3.038 -3.992 522 HD2 TYR 67 HD2 TYR 67 4.731 -0.327 -7.271 523 HE1 TYR 67 HE1 TYR 67 4.024 -4.781 -5.211 524 HE2 TYR 67 HE2 TYR 67 3.426 -2.002 -8.480 525 HH TYR 67 HH TYR 67 2.846 -5.301 -7.120 526 H THR 68 H THR 68 3.921 2.366 -2.866 527 HA THR 68 HA THR 68 6.538 3.464 -1.955 528 HB THR 68 HB THR 68 5.711 5.728 -2.635 529 HG1 THR 68 HG1 THR 68 3.517 5.231 -2.829 530 HG21 THR 68 HG21 THR 68 6.093 5.394 -5.079 531 HG22 THR 68 HG22 THR 68 7.336 4.654 -4.041 532 HG23 THR 68 HG23 THR 68 6.094 3.636 -4.799 533 H SER 69 H SER 69 4.282 2.028 -0.588 534 HA SER 69 HA SER 69 2.815 3.850 1.033 535 HB2 SER 69 HB2 SER 69 3.685 0.963 1.451 536 HB3 SER 69 HB3 SER 69 2.516 1.828 2.468 537 HG SER 69 HG SER 69 1.213 2.101 0.618 538 H THR 70 H THR 70 6.048 3.764 0.948 539 HA THR 70 HA THR 70 6.339 4.411 3.835 540 HB THR 70 HB THR 70 7.003 2.109 3.713 541 HG1 THR 70 HG1 THR 70 9.193 2.346 4.274 542 HG21 THR 70 HG21 THR 70 7.360 1.817 1.323 543 HG22 THR 70 HG22 THR 70 8.717 2.956 1.333 544 HG23 THR 70 HG23 THR 70 8.864 1.390 2.162 545 H ALA 71 H ALA 71 8.261 5.645 4.344 546 HA ALA 71 HA ALA 71 8.589 7.759 2.400 547 HB1 ALA 71 HB1 ALA 71 9.838 7.357 5.144 548 HB2 ALA 71 HB2 ALA 71 9.801 8.869 4.203 549 HB3 ALA 71 HB3 ALA 71 8.288 8.166 4.814 550 H GLU 72 H GLU 72 10.371 4.816 2.791 551 HA GLU 72 HA GLU 72 12.897 5.954 1.900 552 HB2 GLU 72 HB2 GLU 72 13.460 3.604 1.382 553 HB3 GLU 72 HB3 GLU 72 12.873 3.805 3.043 554 HG2 GLU 72 HG2 GLU 72 10.604 3.095 2.256 555 HG3 GLU 72 HG3 GLU 72 11.301 2.741 0.672 556 H HIS 73 H HIS 73 9.827 5.381 0.505 557 HA HIS 73 HA HIS 73 10.972 5.298 -2.235 558 HB2 HIS 73 HB2 HIS 73 8.494 3.986 -1.088 559 HB3 HIS 73 HB3 HIS 73 8.810 4.123 -2.822 560 HD2 HIS 73 HD2 HIS 73 12.130 3.500 -1.686 561 HE1 HIS 73 HE1 HIS 73 10.519 -0.421 -2.019 562 HE2 HIS 73 HE2 HIS 73 12.670 0.937 -1.807 563 H VAL 74 H VAL 74 9.928 7.552 -0.279 564 HA VAL 74 HA VAL 74 7.738 8.750 -1.729 565 HB VAL 74 HB VAL 74 8.307 9.359 0.578 566 HG11 VAL 74 HG11 VAL 74 10.792 10.721 -0.536 567 HG12 VAL 74 HG12 VAL 74 10.250 10.647 1.159 568 HG13 VAL 74 HG13 VAL 74 10.816 9.177 0.339 569 HG21 VAL 74 HG21 VAL 74 8.771 11.656 -1.352 570 HG22 VAL 74 HG22 VAL 74 7.172 10.982 -0.942 571 HG23 VAL 74 HG23 VAL 74 8.154 11.785 0.314 572 H ALA 75 H ALA 75 11.220 8.715 -2.044 573 HA ALA 75 HA ALA 75 11.782 10.845 -3.788 574 HB1 ALA 75 HB1 ALA 75 12.808 7.970 -3.859 575 HB2 ALA 75 HB2 ALA 75 13.643 9.406 -4.508 576 HB3 ALA 75 HB3 ALA 75 13.408 9.236 -2.747 577 H ILE 76 H ILE 76 10.740 7.568 -4.376 578 HA ILE 76 HA ILE 76 10.649 7.503 -7.229 579 HB ILE 76 HB ILE 76 9.831 6.013 -4.746 580 HG12 ILE 76 HG12 ILE 76 12.184 6.137 -6.101 581 HG13 ILE 76 HG13 ILE 76 11.645 4.841 -5.065 582 HG21 ILE 76 HG21 ILE 76 9.020 5.108 -7.509 583 HG22 ILE 76 HG22 ILE 76 8.952 4.178 -5.955 584 HG23 ILE 76 HG23 ILE 76 7.947 5.599 -6.169 585 HD11 ILE 76 HD11 ILE 76 12.490 4.204 -7.404 586 HD12 ILE 76 HD12 ILE 76 10.769 3.748 -7.234 587 HD13 ILE 76 HD13 ILE 76 11.208 5.263 -8.073 588 H ARG 77 H ARG 77 8.301 7.937 -4.589 589 HA ARG 77 HA ARG 77 5.926 7.782 -6.124 590 HB2 ARG 77 HB2 ARG 77 6.197 7.882 -3.573 591 HB3 ARG 77 HB3 ARG 77 6.356 9.644 -3.776 592 HG2 ARG 77 HG2 ARG 77 4.126 9.455 -5.141 593 HG3 ARG 77 HG3 ARG 77 3.977 7.854 -4.371 594 HD2 ARG 77 HD2 ARG 77 4.303 8.930 -2.157 595 HD3 ARG 77 HD3 ARG 77 4.369 10.514 -2.953 596 HE ARG 77 HE ARG 77 1.992 8.831 -2.470 597 HH11 ARG 77 HH11 ARG 77 3.314 11.626 -4.195 598 HH12 ARG 77 HH12 ARG 77 1.738 12.314 -4.514 599 HH21 ARG 77 HH21 ARG 77 -0.035 9.750 -2.907 600 HH22 ARG 77 HH22 ARG 77 -0.152 11.252 -3.789 601 H SER 78 H SER 78 8.238 10.349 -5.628 602 HA SER 78 HA SER 78 6.789 12.479 -6.927 603 HB2 SER 78 HB2 SER 78 8.826 12.611 -5.338 604 HB3 SER 78 HB3 SER 78 9.791 12.016 -6.689 605 HG SER 78 HG SER 78 8.255 14.412 -6.627 606 H LYS 79 H LYS 79 8.740 9.741 -8.142 607 HA LYS 79 HA LYS 79 9.078 11.018 -10.761 608 HB2 LYS 79 HB2 LYS 79 9.674 8.192 -9.763 609 HB3 LYS 79 HB3 LYS 79 10.203 8.908 -11.302 610 HG2 LYS 79 HG2 LYS 79 11.482 10.630 -10.089 611 HG3 LYS 79 HG3 LYS 79 10.920 9.979 -8.542 612 HD2 LYS 79 HD2 LYS 79 12.041 7.818 -9.036 613 HD3 LYS 79 HD3 LYS 79 12.640 8.498 -10.571 614 HE2 LYS 79 HE2 LYS 79 13.722 10.330 -9.343 615 HE3 LYS 79 HE3 LYS 79 13.162 9.630 -7.797 616 HZ1 LYS 79 HZ1 LYS 79 15.037 8.399 -9.708 617 HZ2 LYS 79 HZ2 LYS 79 15.413 8.979 -8.216 618 HZ3 LYS 79 HZ3 LYS 79 14.460 7.649 -8.385 619 H LEU 80 H LEU 80 7.133 8.446 -9.241 620 HA LEU 80 HA LEU 80 5.913 7.420 -11.611 621 HB2 LEU 80 HB2 LEU 80 5.189 7.526 -8.681 622 HB3 LEU 80 HB3 LEU 80 4.139 6.728 -9.844 623 HG LEU 80 HG LEU 80 5.411 4.899 -10.013 624 HD11 LEU 80 HD11 LEU 80 8.027 6.357 -9.674 625 HD12 LEU 80 HD12 LEU 80 7.734 4.641 -10.075 626 HD13 LEU 80 HD13 LEU 80 7.263 5.888 -11.230 627 HD21 LEU 80 HD21 LEU 80 5.084 5.246 -7.614 628 HD22 LEU 80 HD22 LEU 80 6.645 4.426 -7.908 629 HD23 LEU 80 HD23 LEU 80 6.594 6.167 -7.525 630 H GLN 81 H GLN 81 5.520 10.484 -10.164 631 HA GLN 81 HA GLN 81 2.852 10.898 -11.329 632 HB2 GLN 81 HB2 GLN 81 4.727 11.911 -9.219 633 HB3 GLN 81 HB3 GLN 81 3.717 13.163 -9.919 634 HG2 GLN 81 HG2 GLN 81 2.973 11.925 -7.784 635 HG3 GLN 81 HG3 GLN 81 1.782 12.252 -9.093 636 HE21 GLN 81 HE22 GLN 81 3.976 9.734 -7.829 637 HE22 GLN 81 HE21 GLN 81 2.927 8.395 -8.251 638 H TYR 82 H TYR 82 6.249 11.570 -11.895 639 HA TYR 82 HA TYR 82 5.755 14.012 -13.454 640 HB2 TYR 82 HB2 TYR 82 7.837 13.993 -12.371 641 HB3 TYR 82 HB3 TYR 82 8.119 12.286 -12.749 642 HD1 TYR 82 HD2 TYR 82 7.700 15.542 -14.622 643 HD2 TYR 82 HD1 TYR 82 9.568 11.683 -14.351 644 HE1 TYR 82 HE2 TYR 82 9.128 16.090 -16.586 645 HE2 TYR 82 HE1 TYR 82 11.069 12.254 -16.244 646 HH TYR 82 HH TYR 82 11.606 13.833 -17.831 647 H ARG 83 H ARG 83 7.398 10.929 -14.308 648 HA ARG 83 HA ARG 83 6.907 11.476 -17.123 649 HB2 ARG 83 HB2 ARG 83 8.256 9.631 -17.609 650 HB3 ARG 83 HB3 ARG 83 9.040 10.467 -16.281 651 HG2 ARG 83 HG2 ARG 83 7.204 8.129 -15.743 652 HG3 ARG 83 HG3 ARG 83 8.864 7.848 -16.279 653 HD2 ARG 83 HD2 ARG 83 8.364 9.694 -13.948 654 HD3 ARG 83 HD3 ARG 83 8.303 7.923 -13.747 655 HE ARG 83 HE ARG 83 10.685 9.413 -14.823 656 HH11 ARG 83 HH11 ARG 83 9.272 6.835 -12.861 657 HH12 ARG 83 HH12 ARG 83 10.821 6.311 -12.239 658 HH21 ARG 83 HH21 ARG 83 12.698 8.727 -13.921 659 HH22 ARG 83 HH22 ARG 83 12.726 7.358 -12.836 660 H LEU 84 H LEU 84 5.065 10.147 -14.677 661 HA LEU 84 HA LEU 84 3.417 8.320 -16.190 662 HB2 LEU 84 HB2 LEU 84 3.226 8.344 -13.788 663 HB3 LEU 84 HB3 LEU 84 3.076 10.068 -13.721 664 HG LEU 84 HG LEU 84 0.844 10.010 -14.704 665 HD11 LEU 84 HD11 LEU 84 1.134 6.974 -14.668 666 HD12 LEU 84 HD12 LEU 84 -0.349 7.890 -15.021 667 HD13 LEU 84 HD13 LEU 84 1.020 7.995 -16.127 668 HD21 LEU 84 HD21 LEU 84 1.240 9.824 -12.253 669 HD22 LEU 84 HD22 LEU 84 -0.265 9.024 -12.762 670 HD23 LEU 84 HD23 LEU 84 1.190 8.059 -12.402 671 H GLU 85 H GLU 85 3.572 11.873 -15.806 672 HA GLU 85 HA GLU 85 0.887 12.239 -16.933 673 HB2 GLU 85 HB2 GLU 85 3.056 14.025 -15.851 674 HB3 GLU 85 HB3 GLU 85 1.561 14.668 -16.569 675 HG2 GLU 85 HG2 GLU 85 1.600 12.604 -14.323 676 HG3 GLU 85 HG3 GLU 85 1.530 14.353 -14.067 677 H LEU 86 H LEU 86 4.293 12.914 -17.820 678 HA LEU 86 HA LEU 86 3.615 14.392 -20.178 679 HB2 LEU 86 HB2 LEU 86 5.909 14.597 -20.473 680 HB3 LEU 86 HB3 LEU 86 5.735 14.351 -18.719 681 HG LEU 86 HG LEU 86 6.169 11.819 -19.332 682 HD11 LEU 86 HD11 LEU 86 6.117 12.247 -21.859 683 HD12 LEU 86 HD12 LEU 86 7.512 13.304 -21.649 684 HD13 LEU 86 HD13 LEU 86 7.652 11.568 -21.279 685 HD21 LEU 86 HD21 LEU 86 8.573 12.242 -19.012 686 HD22 LEU 86 HD22 LEU 86 8.334 13.954 -19.440 687 HD23 LEU 86 HD23 LEU 86 7.604 13.295 -17.963 688 H ALA 87 H ALA 87 4.382 10.945 -19.559 689 HA ALA 87 HA ALA 87 4.623 10.004 -22.131 690 HB1 ALA 87 HB1 ALA 87 3.444 8.824 -19.577 691 HB2 ALA 87 HB2 ALA 87 3.896 7.852 -20.985 692 HB3 ALA 87 HB3 ALA 87 5.142 8.759 -20.094 693 H GLN 88 H GLN 88 1.620 9.842 -20.050 694 HA GLN 88 HA GLN 88 -0.094 9.155 -22.198 695 HB2 GLN 88 HB2 GLN 88 -1.903 9.878 -20.759 696 HB3 GLN 88 HB3 GLN 88 -0.792 8.715 -19.986 697 HG2 GLN 88 HG2 GLN 88 0.335 10.564 -18.821 698 HG3 GLN 88 HG3 GLN 88 -0.822 11.721 -19.487 699 HE21 GLN 88 HE22 GLN 88 -0.121 9.877 -16.814 700 HE22 GLN 88 HE21 GLN 88 -1.721 9.780 -16.097 701 H GLY 89 H GLY 89 1.277 12.198 -21.327 702 HA2 GLY 89 HA2 GLY 89 -0.730 13.801 -22.743 703 HA3 GLY 89 HA3 GLY 89 0.762 14.363 -21.959 704 H ALA 90 H ALA 90 1.510 11.674 -23.771 705 HA ALA 90 HA ALA 90 2.002 13.136 -26.312 706 HB1 ALA 90 HB1 ALA 90 3.875 11.255 -24.851 707 HB2 ALA 90 HB2 ALA 90 4.157 11.989 -26.446 708 HB3 ALA 90 HB3 ALA 90 4.065 13.024 -24.995 709 H VAL 91 H VAL 91 0.327 10.699 -24.815 710 HA VAL 91 HA VAL 91 0.786 8.577 -26.842 711 HB VAL 91 HB VAL 91 -0.199 8.696 -24.035 712 HG11 VAL 91 HG11 VAL 91 -0.003 6.156 -24.151 713 HG12 VAL 91 HG12 VAL 91 -1.548 6.763 -24.834 714 HG13 VAL 91 HG13 VAL 91 -0.183 6.239 -25.888 715 HG21 VAL 91 HG21 VAL 91 2.164 8.675 -24.732 716 HG22 VAL 91 HG22 VAL 91 1.608 7.270 -23.753 717 HG23 VAL 91 HG23 VAL 91 1.846 7.105 -25.531 718 H GLY 92 H GLY 92 -0.985 7.395 -27.647 719 HA2 GLY 92 HA2 GLY 92 -3.061 7.059 -28.479 720 HA3 GLY 92 HA3 GLY 92 -3.687 8.294 -27.353 721 H SER 93 H SER 93 -1.143 9.701 -29.007 722 HA SER 93 HA SER 93 -2.756 11.470 -30.554 723 HB2 SER 93 HB2 SER 93 -0.596 12.289 -31.387 724 HB3 SER 93 HB3 SER 93 -0.571 12.071 -29.625 725 HG SER 93 HG SER 93 1.288 11.184 -30.608 726 H VAL 94 H VAL 94 -1.978 11.895 -32.940 727 HA VAL 94 HA VAL 94 -2.436 11.358 -35.060 728 HB VAL 94 HB VAL 94 -0.745 8.927 -34.401 729 HG11 VAL 94 HG11 VAL 94 -1.371 10.305 -37.055 730 HG12 VAL 94 HG12 VAL 94 -0.205 8.984 -36.825 731 HG13 VAL 94 HG13 VAL 94 -1.937 8.688 -36.573 732 HG21 VAL 94 HG21 VAL 94 1.086 10.352 -35.314 733 HG22 VAL 94 HG22 VAL 94 -0.051 11.706 -35.450 734 HG23 VAL 94 HG23 VAL 94 0.368 11.050 -33.846 735 H GLN 95 H GLN 95 -4.605 11.262 -34.816 736 HA GLN 95 HA GLN 95 -5.791 8.542 -34.829 737 HB2 GLN 95 HB2 GLN 95 -7.667 9.463 -33.485 738 HB3 GLN 95 HB3 GLN 95 -6.134 9.472 -32.613 739 HG2 GLN 95 HG2 GLN 95 -7.174 11.909 -34.119 740 HG3 GLN 95 HG3 GLN 95 -7.621 11.570 -32.444 741 HE21 GLN 95 HE22 GLN 95 -5.486 13.337 -34.305 742 HE22 GLN 95 HE21 GLN 95 -4.203 13.519 -33.132 743 H ILE 96 H ILE 96 -5.151 11.016 -36.768 744 HA ILE 96 HA ILE 96 -7.539 10.570 -38.382 745 HB ILE 96 HB ILE 96 -8.059 12.462 -36.861 746 HG12 ILE 96 HG12 ILE 96 -7.922 13.305 -39.783 747 HG13 ILE 96 HG13 ILE 96 -9.119 12.200 -39.088 748 HG21 ILE 96 HG21 ILE 96 -5.739 13.391 -36.723 749 HG22 ILE 96 HG22 ILE 96 -5.929 14.026 -38.370 750 HG23 ILE 96 HG23 ILE 96 -6.974 14.615 -37.068 751 HD11 ILE 96 HD11 ILE 96 -10.031 14.459 -39.228 752 HD12 ILE 96 HD12 ILE 96 -9.847 13.994 -37.524 753 HD13 ILE 96 HD13 ILE 96 -8.678 15.105 -38.285 754 HA PRO 97 HA PRO 97 -3.337 11.384 -40.487 755 HB2 PRO 97 HB2 PRO 97 -2.489 8.862 -41.101 756 HB3 PRO 97 HB3 PRO 97 -2.140 9.635 -39.524 757 HG2 PRO 97 HG2 PRO 97 -4.387 7.717 -40.191 758 HG3 PRO 97 HG3 PRO 97 -3.235 7.629 -38.816 759 HD2 PRO 97 HD2 PRO 97 -5.707 8.707 -38.513 760 HD3 PRO 97 HD3 PRO 97 -4.278 9.423 -37.707 761 H VAL 98 H VAL 98 -2.777 10.717 -42.786 762 HA VAL 98 HA VAL 98 -5.192 10.797 -44.374 763 HB VAL 98 HB VAL 98 -3.267 12.209 -44.846 764 HG11 VAL 98 HG11 VAL 98 -1.219 11.419 -45.816 765 HG12 VAL 98 HG12 VAL 98 -1.440 10.611 -44.252 766 HG13 VAL 98 HG13 VAL 98 -1.750 9.738 -45.775 767 HG21 VAL 98 HG21 VAL 98 -4.855 11.615 -46.648 768 HG22 VAL 98 HG22 VAL 98 -3.214 11.924 -47.260 769 HG23 VAL 98 HG23 VAL 98 -3.806 10.256 -47.115 770 H VAL 99 H VAL 99 -5.887 8.656 -43.454 771 HA VAL 99 HA VAL 99 -4.742 6.226 -44.454 772 HB VAL 99 HB VAL 99 -7.612 6.763 -43.587 773 HG11 VAL 99 HG11 VAL 99 -7.589 4.319 -43.122 774 HG12 VAL 99 HG12 VAL 99 -7.264 4.639 -44.840 775 HG13 VAL 99 HG13 VAL 99 -5.931 4.217 -43.752 776 HG21 VAL 99 HG21 VAL 99 -5.167 5.855 -42.001 777 HG22 VAL 99 HG22 VAL 99 -6.045 7.387 -41.795 778 HG23 VAL 99 HG23 VAL 99 -6.837 5.853 -41.390 779 H GLU 100 H GLU 100 -4.288 6.617 -46.627 780 HA GLU 100 HA GLU 100 -6.567 6.321 -48.478 781 HB2 GLU 100 HB2 GLU 100 -6.132 8.688 -48.488 782 HB3 GLU 100 HB3 GLU 100 -4.365 8.441 -48.465 783 HG2 GLU 100 HG2 GLU 100 -4.236 7.763 -50.656 784 HG3 GLU 100 HG3 GLU 100 -5.936 7.267 -50.633 785 H VAL 101 H VAL 101 -6.043 5.117 -50.292 786 HA VAL 101 HA VAL 101 -3.235 4.264 -50.722 787 HB VAL 101 HB VAL 101 -5.620 2.393 -50.682 788 HG11 VAL 101 HG11 VAL 101 -3.814 1.782 -52.294 789 HG12 VAL 101 HG12 VAL 101 -2.632 1.855 -50.968 790 HG13 VAL 101 HG13 VAL 101 -3.915 0.631 -50.945 791 HG21 VAL 101 HG21 VAL 101 -3.328 2.678 -48.692 792 HG22 VAL 101 HG22 VAL 101 -5.047 3.031 -48.383 793 HG23 VAL 101 HG23 VAL 101 -4.526 1.364 -48.695 794 H ASP 102 H ASP 102 -2.737 4.098 -52.877 795 HA ASP 102 HA ASP 102 -4.830 4.008 -54.892 796 HB2 ASP 102 HB2 ASP 102 -4.692 6.417 -54.250 797 HB3 ASP 102 HB3 ASP 102 -2.969 6.419 -54.625 798 H GLU 103 H GLU 103 -2.474 2.556 -53.842 799 HA GLU 103 HA GLU 103 -1.222 1.918 -56.433 800 HB2 GLU 103 HB2 GLU 103 1.017 2.066 -55.561 801 HB3 GLU 103 HB3 GLU 103 0.186 3.633 -55.374 802 HG2 GLU 103 HG2 GLU 103 0.307 1.662 -53.071 803 HG3 GLU 103 HG3 GLU 103 1.652 2.744 -53.428 804 H LEU 104 H LEU 104 0.432 0.026 -55.986 805 HA LEU 104 HA LEU 104 0.449 -2.175 -55.944 806 HB2 LEU 104 HB2 LEU 104 0.129 -1.244 -53.126 807 HB3 LEU 104 HB3 LEU 104 0.494 -2.960 -53.490 808 HG LEU 104 HG LEU 104 2.301 -1.057 -54.851 809 HD11 LEU 104 HD11 LEU 104 2.105 0.003 -52.586 810 HD12 LEU 104 HD12 LEU 104 2.393 -1.582 -51.833 811 HD13 LEU 104 HD13 LEU 104 3.675 -0.803 -52.791 812 HD21 LEU 104 HD21 LEU 104 3.795 -2.951 -54.068 813 HD22 LEU 104 HD22 LEU 104 2.383 -3.562 -53.152 814 HD23 LEU 104 HD23 LEU 104 2.342 -3.563 -54.920 815 HA PRO 105 HA PRO 105 -3.090 -4.840 -55.732 816 HB2 PRO 105 HB2 PRO 105 -1.409 -6.316 -53.687 817 HB3 PRO 105 HB3 PRO 105 -2.366 -7.007 -55.034 818 HG2 PRO 105 HG2 PRO 105 0.260 -6.739 -55.393 819 HG3 PRO 105 HG3 PRO 105 -0.828 -6.072 -56.665 820 HD2 PRO 105 HD2 PRO 105 0.441 -4.600 -54.346 821 HD3 PRO 105 HD3 PRO 105 0.481 -4.112 -56.057 822 H GLU 106 H GLU 106 -4.748 -5.682 -54.236 823 HA GLU 106 HA GLU 106 -5.396 -3.677 -52.271 824 HB2 GLU 106 HB2 GLU 106 -7.518 -4.941 -52.087 825 HB3 GLU 106 HB3 GLU 106 -7.078 -4.655 -53.777 826 HG2 GLU 106 HG2 GLU 106 -6.152 -6.946 -53.941 827 HG3 GLU 106 HG3 GLU 106 -6.572 -7.243 -52.247 828 H GLY 107 H GLY 107 -3.104 -5.735 -51.723 829 HA2 GLY 107 HA2 GLY 107 -3.561 -5.922 -48.911 830 HA3 GLY 107 HA3 GLY 107 -3.933 -7.481 -49.660 831 H TYR 108 H TYR 108 -1.276 -5.268 -50.836 832 HA TYR 108 HA TYR 108 0.635 -7.249 -50.906 833 HB2 TYR 108 HB2 TYR 108 0.284 -4.851 -51.882 834 HB3 TYR 108 HB3 TYR 108 1.132 -4.309 -50.430 835 HD1 TYR 108 HD2 TYR 108 1.279 -6.146 -53.567 836 HD2 TYR 108 HD1 TYR 108 3.536 -4.893 -50.144 837 HE1 TYR 108 HE2 TYR 108 3.309 -6.276 -54.909 838 HE2 TYR 108 HE1 TYR 108 5.654 -5.335 -51.390 839 HH TYR 108 HH TYR 108 6.593 -5.829 -53.441 840 H ASP 109 H ASP 109 2.750 -7.180 -49.718 841 HA ASP 109 HA ASP 109 2.653 -6.123 -47.013 842 HB2 ASP 109 HB2 ASP 109 1.343 -8.298 -46.963 843 HB3 ASP 109 HB3 ASP 109 2.830 -9.146 -47.400 844 H ARG 110 H ARG 110 4.516 -6.223 -49.554 845 HA ARG 110 HA ARG 110 6.934 -6.486 -47.895 846 HB2 ARG 110 HB2 ARG 110 8.170 -7.743 -49.518 847 HB3 ARG 110 HB3 ARG 110 6.784 -8.657 -48.956 848 HG2 ARG 110 HG2 ARG 110 6.774 -7.124 -51.581 849 HG3 ARG 110 HG3 ARG 110 7.342 -8.791 -51.434 850 HD2 ARG 110 HD2 ARG 110 5.168 -9.499 -50.538 851 HD3 ARG 110 HD3 ARG 110 4.538 -7.855 -50.723 852 HE ARG 110 HE ARG 110 5.516 -8.504 -53.233 853 HH11 ARG 110 HH11 ARG 110 3.143 -9.918 -51.022 854 HH12 ARG 110 HH12 ARG 110 2.160 -10.573 -52.312 855 HH21 ARG 110 HH21 ARG 110 4.218 -9.373 -54.888 856 HH22 ARG 110 HH22 ARG 110 2.773 -10.279 -54.480 857 H SER 111 H SER 111 5.460 -4.204 -48.841 858 HA SER 111 HA SER 111 7.797 -2.715 -49.811 859 HB2 SER 111 HB2 SER 111 6.679 -3.414 -51.911 860 HB3 SER 111 HB3 SER 111 5.155 -2.694 -51.332 861 HG SER 111 HG SER 111 6.380 -1.275 -52.681 862 H1 ALA 701 H1 ALA 701 22.435 19.984 -11.153 863 H2 ALA 701 H2 ALA 701 23.007 18.606 -11.852 864 H3 ALA 701 H3 ALA 701 22.148 18.528 -10.449 865 HA ALA 701 HA ALA 701 21.117 19.403 -13.051 866 HB1 ALA 701 HB1 ALA 701 19.813 17.320 -13.027 867 HB2 ALA 701 HB2 ALA 701 21.553 16.970 -12.922 868 HB3 ALA 701 HB3 ALA 701 20.529 16.870 -11.468 869 H ASP 702 H ASP 702 18.483 18.676 -12.619 870 HA ASP 702 HA ASP 702 17.593 20.139 -10.208 871 HB2 ASP 702 HB2 ASP 702 16.771 20.789 -13.075 872 HB3 ASP 702 HB3 ASP 702 16.035 21.477 -11.616 873 H THR 703 H THR 703 17.647 17.316 -11.300 874 HA THR 703 HA THR 703 14.781 16.672 -10.871 875 HB THR 703 HB THR 703 14.912 15.058 -12.791 876 HG1 THR 703 HG1 THR 703 16.534 15.552 -14.352 877 HG21 THR 703 HG21 THR 703 15.207 17.975 -13.600 878 HG22 THR 703 HG22 THR 703 14.524 16.659 -14.578 879 HG23 THR 703 HG23 THR 703 13.702 17.158 -13.083 880 H GLU 704 H GLU 704 14.451 14.381 -10.610 881 HA GLU 704 HA GLU 704 16.858 12.705 -10.176 882 HB2 GLU 704 HB2 GLU 704 15.860 11.727 -8.155 883 HB3 GLU 704 HB3 GLU 704 16.191 13.453 -7.944 884 HG2 GLU 704 HG2 GLU 704 13.820 13.972 -8.417 885 HG3 GLU 704 HG3 GLU 704 13.480 12.242 -8.617 886 H MET 705 H MET 705 13.508 13.118 -11.209 887 HA MET 705 HA MET 705 12.953 10.383 -11.843 888 HB2 MET 705 HB2 MET 705 11.529 11.556 -13.662 889 HB3 MET 705 HB3 MET 705 11.055 11.713 -11.983 890 HG2 MET 705 HG2 MET 705 12.834 13.764 -13.390 891 HG3 MET 705 HG3 MET 705 11.078 13.845 -13.456 892 HE1 MET 705 HE1 MET 705 10.707 12.608 -10.206 893 HE2 MET 705 HE2 MET 705 10.001 14.186 -9.769 894 HE3 MET 705 HE3 MET 705 9.658 13.437 -11.358 895 H GLU 706 H GLU 706 15.266 12.596 -13.102 896 HA GLU 706 HA GLU 706 15.360 11.102 -15.669 897 HB2 GLU 706 HB2 GLU 706 14.737 13.555 -15.701 898 HB3 GLU 706 HB3 GLU 706 16.395 13.923 -15.209 899 HG2 GLU 706 HG2 GLU 706 17.233 12.759 -17.251 900 HG3 GLU 706 HG3 GLU 706 15.574 12.267 -17.642 901 H GLU 707 H GLU 707 16.428 10.420 -13.032 902 HA GLU 707 HA GLU 707 19.202 9.867 -13.843 903 HB2 GLU 707 HB2 GLU 707 19.037 11.893 -12.273 904 HB3 GLU 707 HB3 GLU 707 18.470 10.770 -11.028 905 HG2 GLU 707 HG2 GLU 707 20.588 9.486 -11.233 906 HG3 GLU 707 HG3 GLU 707 21.100 10.542 -12.557 907 H VAL 708 H VAL 708 16.800 8.416 -14.044 908 HA VAL 708 HA VAL 708 15.800 6.483 -13.691 909 HB VAL 708 HB VAL 708 17.031 4.655 -13.892 910 HG11 VAL 708 HG11 VAL 708 19.114 6.792 -14.377 911 HG12 VAL 708 HG12 VAL 708 19.083 5.156 -15.048 912 HG13 VAL 708 HG13 VAL 708 17.784 6.303 -15.488 913 HG21 VAL 708 HG21 VAL 708 18.065 4.333 -11.759 914 HG22 VAL 708 HG22 VAL 708 19.357 4.378 -12.972 915 HG23 VAL 708 HG23 VAL 708 19.077 5.805 -11.954 916 H ASP 709 H ASP 709 16.174 4.346 -11.867 917 HA ASP 709 HA ASP 709 14.803 3.681 -10.181 918 HB2 ASP 709 HB2 ASP 709 15.661 4.294 -7.921 919 HB3 ASP 709 HB3 ASP 709 16.801 3.572 -9.022 Start of MODEL 20 1 H1 SER 2 H1 SER 2 26.344 -7.466 -3.673 2 H2 SER 2 H2 SER 2 25.260 -7.049 -2.504 3 H3 SER 2 H3 SER 2 26.332 -5.934 -3.077 4 HA SER 2 HA SER 2 24.148 -5.539 -3.957 5 HB2 SER 2 HB2 SER 2 26.154 -6.540 -6.012 6 HB3 SER 2 HB3 SER 2 24.781 -5.466 -6.340 7 HG SER 2 HG SER 2 25.710 -3.932 -4.977 8 H GLN 3 H GLN 3 22.236 -6.353 -4.583 9 HA GLN 3 HA GLN 3 22.106 -9.021 -5.834 10 HB2 GLN 3 HB2 GLN 3 20.493 -9.850 -4.183 11 HB3 GLN 3 HB3 GLN 3 22.043 -9.468 -3.413 12 HG2 GLN 3 HG2 GLN 3 21.126 -7.289 -2.662 13 HG3 GLN 3 HG3 GLN 3 19.569 -7.685 -3.407 14 HE21 GLN 3 HE22 GLN 3 19.534 -7.057 -0.765 15 HE22 GLN 3 HE21 GLN 3 19.285 -8.491 0.208 16 H PHE 4 H PHE 4 21.310 -5.893 -6.051 17 HA PHE 4 HA PHE 4 18.951 -6.332 -7.716 18 HB2 PHE 4 HB2 PHE 4 17.836 -6.240 -5.551 19 HB3 PHE 4 HB3 PHE 4 18.873 -4.922 -5.017 20 HD1 PHE 4 HD1 PHE 4 18.554 -2.576 -5.930 21 HD2 PHE 4 HD2 PHE 4 15.858 -5.820 -6.847 22 HE1 PHE 4 HE1 PHE 4 16.796 -0.960 -6.487 23 HE2 PHE 4 HE2 PHE 4 14.106 -4.173 -7.448 24 HZ PHE 4 HZ PHE 4 14.583 -1.723 -7.240 25 H GLU 5 H GLU 5 21.097 -4.264 -5.852 26 HA GLU 5 HA GLU 5 20.989 -1.840 -7.126 27 HB2 GLU 5 HB2 GLU 5 23.352 -3.410 -6.037 28 HB3 GLU 5 HB3 GLU 5 23.369 -1.693 -6.384 29 HG2 GLU 5 HG2 GLU 5 22.898 -1.732 -4.084 30 HG3 GLU 5 HG3 GLU 5 21.320 -1.472 -4.856 31 H LYS 6 H LYS 6 23.210 -4.663 -8.051 32 HA LYS 6 HA LYS 6 24.526 -3.148 -9.932 33 HB2 LYS 6 HB2 LYS 6 25.071 -5.314 -8.799 34 HB3 LYS 6 HB3 LYS 6 24.011 -6.155 -9.944 35 HG2 LYS 6 HG2 LYS 6 26.336 -6.255 -10.626 36 HG3 LYS 6 HG3 LYS 6 25.368 -5.350 -11.823 37 HD2 LYS 6 HD2 LYS 6 27.524 -4.209 -11.429 38 HD3 LYS 6 HD3 LYS 6 26.194 -3.218 -10.802 39 HE2 LYS 6 HE2 LYS 6 26.634 -4.058 -8.520 40 HE3 LYS 6 HE3 LYS 6 27.952 -5.067 -9.138 41 HZ1 LYS 6 HZ1 LYS 6 27.828 -2.129 -9.266 42 HZ2 LYS 6 HZ2 LYS 6 28.757 -3.001 -8.232 43 HZ3 LYS 6 HZ3 LYS 6 29.059 -3.046 -9.849 44 H GLN 7 H GLN 7 21.672 -5.332 -10.311 45 HA GLN 7 HA GLN 7 21.464 -5.098 -13.130 46 HB2 GLN 7 HB2 GLN 7 19.272 -5.556 -11.085 47 HB3 GLN 7 HB3 GLN 7 19.300 -6.051 -12.797 48 HG2 GLN 7 HG2 GLN 7 21.487 -7.308 -12.203 49 HG3 GLN 7 HG3 GLN 7 21.045 -7.050 -10.499 50 HE21 GLN 7 HE22 GLN 7 19.692 -8.202 -13.620 51 HE22 GLN 7 HE21 GLN 7 18.751 -9.499 -12.911 52 H LYS 8 H LYS 8 20.905 -2.793 -10.582 53 HA LYS 8 HA LYS 8 18.973 -1.198 -12.131 54 HB2 LYS 8 HB2 LYS 8 18.662 -1.755 -9.755 55 HB3 LYS 8 HB3 LYS 8 20.177 -0.938 -9.360 56 HG2 LYS 8 HG2 LYS 8 19.281 1.193 -10.100 57 HG3 LYS 8 HG3 LYS 8 17.767 0.404 -10.647 58 HD2 LYS 8 HD2 LYS 8 17.431 1.296 -8.369 59 HD3 LYS 8 HD3 LYS 8 17.386 -0.470 -8.391 60 HE2 LYS 8 HE2 LYS 8 18.694 0.305 -6.475 61 HE3 LYS 8 HE3 LYS 8 19.720 -0.560 -7.614 62 HZ1 LYS 8 HZ1 LYS 8 20.719 1.503 -6.814 63 HZ2 LYS 8 HZ2 LYS 8 20.498 1.557 -8.445 64 HZ3 LYS 8 HZ3 LYS 8 19.493 2.383 -7.450 65 H GLU 9 H GLU 9 22.263 -0.776 -10.585 66 HA GLU 9 HA GLU 9 22.569 1.747 -12.002 67 HB2 GLU 9 HB2 GLU 9 24.828 1.800 -11.056 68 HB3 GLU 9 HB3 GLU 9 23.559 1.597 -9.832 69 HG2 GLU 9 HG2 GLU 9 24.027 -0.690 -9.559 70 HG3 GLU 9 HG3 GLU 9 25.058 -0.762 -11.005 71 H GLN 10 H GLN 10 23.329 -1.631 -12.761 72 HA GLN 10 HA GLN 10 25.266 -0.995 -14.791 73 HB2 GLN 10 HB2 GLN 10 24.821 -3.285 -13.853 74 HB3 GLN 10 HB3 GLN 10 23.269 -3.302 -14.703 75 HG2 GLN 10 HG2 GLN 10 25.450 -2.562 -16.497 76 HG3 GLN 10 HG3 GLN 10 25.793 -4.095 -15.676 77 HE21 GLN 10 HE22 GLN 10 23.274 -2.393 -17.597 78 HE22 GLN 10 HE21 GLN 10 22.586 -3.853 -18.286 79 H GLY 11 H GLY 11 21.693 -1.505 -14.936 80 HA2 GLY 11 HA2 GLY 11 21.518 -0.738 -17.724 81 HA3 GLY 11 HA3 GLY 11 20.180 -0.864 -16.558 82 H ASN 12 H ASN 12 21.668 1.037 -14.677 83 HA ASN 12 HA ASN 12 20.493 3.496 -15.424 84 HB2 ASN 12 HB2 ASN 12 21.288 2.786 -13.160 85 HB3 ASN 12 HB3 ASN 12 22.953 2.916 -13.737 86 HD21 ASN 12 HD21 ASN 12 22.801 4.211 -11.640 87 HD22 ASN 12 HD22 ASN 12 22.576 5.938 -11.857 88 H SER 13 H SER 13 23.882 2.324 -15.776 89 HA SER 13 HA SER 13 24.668 4.685 -17.239 90 HB2 SER 13 HB2 SER 13 26.847 3.571 -17.376 91 HB3 SER 13 HB3 SER 13 26.188 3.412 -15.733 92 HG SER 13 HG SER 13 27.014 1.438 -16.551 93 H LEU 14 H LEU 14 22.780 2.124 -18.238 94 HA LEU 14 HA LEU 14 23.725 2.402 -21.064 95 HB2 LEU 14 HB2 LEU 14 21.969 0.428 -19.558 96 HB3 LEU 14 HB3 LEU 14 21.702 0.664 -21.264 97 HG LEU 14 HG LEU 14 24.216 0.243 -21.620 98 HD11 LEU 14 HD11 LEU 14 23.649 -0.960 -18.925 99 HD12 LEU 14 HD12 LEU 14 25.163 -1.220 -19.856 100 HD13 LEU 14 HD13 LEU 14 24.765 0.409 -19.223 101 HD21 LEU 14 HD21 LEU 14 23.801 -2.207 -21.631 102 HD22 LEU 14 HD22 LEU 14 22.359 -1.972 -20.619 103 HD23 LEU 14 HD23 LEU 14 22.392 -1.335 -22.280 104 H PHE 15 H PHE 15 20.926 2.996 -18.889 105 HA PHE 15 HA PHE 15 19.104 3.918 -20.845 106 HB2 PHE 15 HB2 PHE 15 18.221 3.551 -18.723 107 HB3 PHE 15 HB3 PHE 15 19.582 4.342 -17.912 108 HD1 PHE 15 HD1 PHE 15 16.631 5.154 -20.094 109 HD2 PHE 15 HD2 PHE 15 19.425 6.525 -17.120 110 HE1 PHE 15 HE1 PHE 15 15.316 7.238 -19.807 111 HE2 PHE 15 HE2 PHE 15 18.014 8.501 -16.698 112 HZ PHE 15 HZ PHE 15 15.993 8.910 -18.098 113 H LYS 16 H LYS 16 21.903 5.488 -19.318 114 HA LYS 16 HA LYS 16 20.971 8.075 -20.305 115 HB2 LYS 16 HB2 LYS 16 22.681 9.000 -18.898 116 HB3 LYS 16 HB3 LYS 16 21.674 7.803 -18.022 117 HG2 LYS 16 HG2 LYS 16 23.616 6.136 -18.664 118 HG3 LYS 16 HG3 LYS 16 24.556 7.634 -18.830 119 HD2 LYS 16 HD2 LYS 16 23.119 6.530 -16.390 120 HD3 LYS 16 HD3 LYS 16 24.838 6.880 -16.569 121 HE2 LYS 16 HE2 LYS 16 22.549 8.897 -16.468 122 HE3 LYS 16 HE3 LYS 16 23.623 8.507 -15.132 123 HZ1 LYS 16 HZ1 LYS 16 24.489 9.712 -17.686 124 HZ2 LYS 16 HZ2 LYS 16 24.332 10.504 -16.259 125 HZ3 LYS 16 HZ3 LYS 16 25.471 9.334 -16.427 126 H GLN 17 H GLN 17 22.247 5.711 -21.969 127 HA GLN 17 HA GLN 17 24.395 7.306 -23.278 128 HB2 GLN 17 HB2 GLN 17 23.882 4.310 -23.053 129 HB3 GLN 17 HB3 GLN 17 25.099 5.030 -24.110 130 HG2 GLN 17 HG2 GLN 17 25.959 6.255 -22.018 131 HG3 GLN 17 HG3 GLN 17 24.964 5.149 -21.083 132 HE21 GLN 17 HE22 GLN 17 25.261 2.737 -22.493 133 HE22 GLN 17 HE21 GLN 17 26.938 2.231 -22.482 134 H GLY 18 H GLY 18 21.171 6.207 -23.655 135 HA2 GLY 18 HA2 GLY 18 20.252 7.015 -25.946 136 HA3 GLY 18 HA3 GLY 18 21.567 5.951 -26.596 137 H LEU 19 H LEU 19 21.292 3.946 -24.558 138 HA LEU 19 HA LEU 19 19.346 2.513 -26.250 139 HB2 LEU 19 HB2 LEU 19 20.789 0.539 -25.310 140 HB3 LEU 19 HB3 LEU 19 21.145 1.450 -26.751 141 HG LEU 19 HG LEU 19 22.694 2.908 -25.090 142 HD11 LEU 19 HD11 LEU 19 22.450 0.241 -23.654 143 HD12 LEU 19 HD12 LEU 19 23.445 1.634 -23.164 144 HD13 LEU 19 HD13 LEU 19 21.665 1.729 -23.097 145 HD21 LEU 19 HD21 LEU 19 23.562 1.458 -26.901 146 HD22 LEU 19 HD22 LEU 19 24.539 1.305 -25.426 147 HD23 LEU 19 HD23 LEU 19 23.374 0.034 -25.852 148 H TYR 20 H TYR 20 17.923 3.660 -24.856 149 HA TYR 20 HA TYR 20 17.328 3.252 -22.209 150 HB2 TYR 20 HB2 TYR 20 15.378 3.326 -24.532 151 HB3 TYR 20 HB3 TYR 20 15.061 3.932 -22.923 152 HD1 TYR 20 HD2 TYR 20 17.328 5.527 -22.179 153 HD2 TYR 20 HD1 TYR 20 15.581 5.047 -26.082 154 HE1 TYR 20 HE2 TYR 20 18.276 7.717 -22.875 155 HE2 TYR 20 HE1 TYR 20 16.521 7.233 -26.777 156 HH TYR 20 HH TYR 20 17.769 9.053 -26.159 157 H ARG 21 H ARG 21 16.551 1.031 -24.966 158 HA ARG 21 HA ARG 21 14.806 -0.617 -23.291 159 HB2 ARG 21 HB2 ARG 21 15.077 -0.186 -25.981 160 HB3 ARG 21 HB3 ARG 21 16.131 -1.594 -25.819 161 HG2 ARG 21 HG2 ARG 21 13.188 -1.322 -25.236 162 HG3 ARG 21 HG3 ARG 21 13.996 -2.378 -26.415 163 HD2 ARG 21 HD2 ARG 21 14.979 -3.667 -24.456 164 HD3 ARG 21 HD3 ARG 21 13.988 -2.642 -23.388 165 HE ARG 21 HE ARG 21 12.090 -3.810 -24.009 166 HH11 ARG 21 HH11 ARG 21 14.758 -4.698 -26.160 167 HH12 ARG 21 HH12 ARG 21 13.882 -6.022 -26.888 168 HH21 ARG 21 HH21 ARG 21 10.976 -5.542 -24.979 169 HH22 ARG 21 HH22 ARG 21 11.759 -6.506 -26.209 170 H GLU 22 H GLU 22 18.162 -0.832 -24.557 171 HA GLU 22 HA GLU 22 18.755 -3.405 -23.498 172 HB2 GLU 22 HB2 GLU 22 20.580 -1.022 -23.832 173 HB3 GLU 22 HB3 GLU 22 21.075 -2.716 -23.650 174 HG2 GLU 22 HG2 GLU 22 19.335 -1.606 -25.904 175 HG3 GLU 22 HG3 GLU 22 21.053 -1.989 -25.998 176 H ALA 23 H ALA 23 18.603 -0.177 -22.108 177 HA ALA 23 HA ALA 23 19.774 -0.777 -19.553 178 HB1 ALA 23 HB1 ALA 23 18.903 1.420 -18.957 179 HB2 ALA 23 HB2 ALA 23 19.583 1.479 -20.612 180 HB3 ALA 23 HB3 ALA 23 17.836 1.443 -20.366 181 H VAL 24 H VAL 24 16.347 -0.873 -20.849 182 HA VAL 24 HA VAL 24 15.257 -1.146 -18.262 183 HB VAL 24 HB VAL 24 13.273 -1.316 -19.216 184 HG11 VAL 24 HG11 VAL 24 14.238 0.076 -21.645 185 HG12 VAL 24 HG12 VAL 24 12.901 0.434 -20.556 186 HG13 VAL 24 HG13 VAL 24 14.570 0.771 -20.027 187 HG21 VAL 24 HG21 VAL 24 13.091 -3.166 -20.265 188 HG22 VAL 24 HG22 VAL 24 12.658 -1.950 -21.476 189 HG23 VAL 24 HG23 VAL 24 14.280 -2.764 -21.539 190 H HIS 25 H HIS 25 16.600 -3.070 -20.649 191 HA HIS 25 HA HIS 25 15.473 -5.591 -20.194 192 HB2 HIS 25 HB2 HIS 25 17.157 -4.419 -21.943 193 HB3 HIS 25 HB3 HIS 25 18.317 -5.403 -21.110 194 HD2 HIS 25 HD2 HIS 25 16.648 -5.396 -24.111 195 HE1 HIS 25 HE1 HIS 25 15.640 -9.369 -22.977 196 HE2 HIS 25 HE2 HIS 25 15.747 -7.740 -24.925 197 H CYS 26 H CYS 26 17.421 -3.795 -18.117 198 HA CYS 26 HA CYS 26 18.173 -6.225 -16.545 199 HB2 CYS 26 HB2 CYS 26 19.592 -3.536 -16.686 200 HB3 CYS 26 HB3 CYS 26 20.038 -4.900 -15.638 201 HG CYS 26 HG CYS 26 20.359 -6.626 -17.581 202 H TYR 27 H TYR 27 16.790 -3.002 -16.728 203 HA TYR 27 HA TYR 27 15.995 -2.531 -14.031 204 HB2 TYR 27 HB2 TYR 27 14.780 -2.010 -16.750 205 HB3 TYR 27 HB3 TYR 27 14.116 -1.275 -15.358 206 HD1 TYR 27 HD1 TYR 27 17.536 -1.183 -14.596 207 HD2 TYR 27 HD2 TYR 27 14.629 0.541 -17.270 208 HE1 TYR 27 HE1 TYR 27 18.928 0.850 -14.810 209 HE2 TYR 27 HE2 TYR 27 15.962 2.581 -17.447 210 HH TYR 27 HH TYR 27 19.114 2.928 -15.731 211 H ASP 28 H ASP 28 14.645 -4.553 -16.660 212 HA ASP 28 HA ASP 28 12.084 -4.954 -15.521 213 HB2 ASP 28 HB2 ASP 28 12.788 -5.335 -17.898 214 HB3 ASP 28 HB3 ASP 28 13.647 -6.790 -17.369 215 H GLN 29 H GLN 29 15.253 -6.375 -14.880 216 HA GLN 29 HA GLN 29 14.178 -8.650 -13.454 217 HB2 GLN 29 HB2 GLN 29 16.927 -7.514 -13.918 218 HB3 GLN 29 HB3 GLN 29 16.664 -8.711 -12.641 219 HG2 GLN 29 HG2 GLN 29 17.356 -9.767 -14.733 220 HG3 GLN 29 HG3 GLN 29 15.764 -10.324 -14.190 221 HE21 GLN 29 HE22 GLN 29 16.756 -7.394 -15.885 222 HE22 GLN 29 HE21 GLN 29 15.921 -7.663 -17.412 223 H LEU 30 H LEU 30 14.683 -5.284 -12.667 224 HA LEU 30 HA LEU 30 15.007 -5.625 -9.785 225 HB2 LEU 30 HB2 LEU 30 13.751 -3.347 -11.343 226 HB3 LEU 30 HB3 LEU 30 14.407 -3.266 -9.691 227 HG LEU 30 HG LEU 30 15.874 -3.611 -12.287 228 HD11 LEU 30 HD11 LEU 30 16.072 -1.519 -10.088 229 HD12 LEU 30 HD12 LEU 30 16.995 -1.543 -11.613 230 HD13 LEU 30 HD13 LEU 30 15.232 -1.317 -11.647 231 HD21 LEU 30 HD21 LEU 30 16.997 -3.749 -9.442 232 HD22 LEU 30 HD22 LEU 30 16.964 -5.096 -10.614 233 HD23 LEU 30 HD23 LEU 30 17.974 -3.672 -10.921 234 H ILE 31 H ILE 31 12.284 -5.280 -12.087 235 HA ILE 31 HA ILE 31 10.298 -5.335 -9.960 236 HB ILE 31 HB ILE 31 9.832 -6.063 -12.882 237 HG12 ILE 31 HG12 ILE 31 8.970 -3.437 -12.601 238 HG13 ILE 31 HG13 ILE 31 10.461 -3.431 -11.656 239 HG21 ILE 31 HG21 ILE 31 8.232 -4.827 -10.632 240 HG22 ILE 31 HG22 ILE 31 7.602 -5.174 -12.263 241 HG23 ILE 31 HG23 ILE 31 8.106 -6.535 -11.219 242 HD11 ILE 31 HD11 ILE 31 11.668 -4.402 -13.583 243 HD12 ILE 31 HD12 ILE 31 10.154 -4.412 -14.531 244 HD13 ILE 31 HD13 ILE 31 10.875 -2.869 -14.041 245 H THR 32 H THR 32 11.872 -7.698 -12.124 246 HA THR 32 HA THR 32 10.128 -9.828 -11.286 247 HB THR 32 HB THR 32 12.878 -9.533 -12.562 248 HG1 THR 32 HG1 THR 32 11.174 -8.915 -13.859 249 HG21 THR 32 HG21 THR 32 12.963 -11.748 -13.394 250 HG22 THR 32 HG22 THR 32 12.987 -11.747 -11.633 251 HG23 THR 32 HG23 THR 32 11.482 -12.207 -12.493 252 H ALA 33 H ALA 33 13.047 -8.403 -9.902 253 HA ALA 33 HA ALA 33 13.364 -10.706 -8.094 254 HB1 ALA 33 HB1 ALA 33 15.386 -9.529 -9.006 255 HB2 ALA 33 HB2 ALA 33 14.836 -8.023 -8.226 256 HB3 ALA 33 HB3 ALA 33 15.307 -9.412 -7.233 257 H GLN 34 H GLN 34 12.063 -7.440 -8.199 258 HA GLN 34 HA GLN 34 10.851 -7.832 -5.554 259 HB2 GLN 34 HB2 GLN 34 13.164 -6.465 -5.833 260 HB3 GLN 34 HB3 GLN 34 12.088 -5.161 -6.250 261 HG2 GLN 34 HG2 GLN 34 11.142 -5.177 -4.015 262 HG3 GLN 34 HG3 GLN 34 11.723 -6.841 -3.738 263 HE21 GLN 34 HE22 GLN 34 13.621 -4.447 -5.446 264 HE22 GLN 34 HE21 GLN 34 14.961 -4.402 -4.342 265 HA PRO 35 HA PRO 35 8.208 -6.446 -9.039 266 HB2 PRO 35 HB2 PRO 35 6.178 -8.343 -8.361 267 HB3 PRO 35 HB3 PRO 35 7.416 -8.417 -9.627 268 HG2 PRO 35 HG2 PRO 35 7.329 -10.027 -7.212 269 HG3 PRO 35 HG3 PRO 35 8.534 -10.033 -8.545 270 HD2 PRO 35 HD2 PRO 35 8.881 -8.878 -5.926 271 HD3 PRO 35 HD3 PRO 35 10.029 -9.218 -7.244 272 H GLN 36 H GLN 36 7.978 -6.686 -5.793 273 HA GLN 36 HA GLN 36 5.934 -4.530 -5.697 274 HB2 GLN 36 HB2 GLN 36 6.975 -6.157 -3.339 275 HB3 GLN 36 HB3 GLN 36 5.664 -4.977 -3.313 276 HG2 GLN 36 HG2 GLN 36 4.262 -6.693 -3.675 277 HG3 GLN 36 HG3 GLN 36 4.896 -6.758 -5.328 278 HE21 GLN 36 HE22 GLN 36 6.767 -8.192 -5.722 279 HE22 GLN 36 HE21 GLN 36 7.054 -9.579 -4.681 280 H ASN 37 H ASN 37 8.234 -3.688 -6.740 281 HA ASN 37 HA ASN 37 9.111 -1.770 -4.670 282 HB2 ASN 37 HB2 ASN 37 11.297 -2.431 -4.716 283 HB3 ASN 37 HB3 ASN 37 10.716 -3.850 -5.563 284 HD21 ASN 37 HD22 ASN 37 10.741 -3.883 -7.853 285 HD22 ASN 37 HD21 ASN 37 11.948 -2.940 -8.732 286 HA PRO 38 HA PRO 38 7.883 0.909 -8.008 287 HB2 PRO 38 HB2 PRO 38 9.656 2.834 -6.576 288 HB3 PRO 38 HB3 PRO 38 7.914 3.010 -7.029 289 HG2 PRO 38 HG2 PRO 38 8.764 2.636 -4.462 290 HG3 PRO 38 HG3 PRO 38 7.337 1.720 -5.070 291 HD2 PRO 38 HD2 PRO 38 10.248 0.800 -4.986 292 HD3 PRO 38 HD3 PRO 38 8.767 -0.023 -4.354 293 H VAL 39 H VAL 39 11.379 1.575 -6.977 294 HA VAL 39 HA VAL 39 12.247 2.740 -9.226 295 HB VAL 39 HB VAL 39 14.145 2.516 -8.364 296 HG11 VAL 39 HG11 VAL 39 14.503 1.807 -6.141 297 HG12 VAL 39 HG12 VAL 39 13.034 2.755 -6.375 298 HG13 VAL 39 HG13 VAL 39 12.916 0.974 -6.112 299 HG21 VAL 39 HG21 VAL 39 15.381 0.415 -7.891 300 HG22 VAL 39 HG22 VAL 39 13.934 -0.458 -8.505 301 HG23 VAL 39 HG23 VAL 39 14.796 0.694 -9.550 302 H GLY 40 H GLY 40 11.587 -0.587 -8.838 303 HA2 GLY 40 HA2 GLY 40 12.695 -1.790 -11.230 304 HA3 GLY 40 HA3 GLY 40 11.283 -2.350 -10.406 305 H TYR 41 H TYR 41 9.373 -0.477 -10.753 306 HA TYR 41 HA TYR 41 8.741 -0.422 -13.534 307 HB2 TYR 41 HB2 TYR 41 7.721 1.019 -11.062 308 HB3 TYR 41 HB3 TYR 41 6.840 1.006 -12.557 309 HD1 TYR 41 HD2 TYR 41 6.180 -1.330 -13.526 310 HD2 TYR 41 HD1 TYR 41 7.425 -0.636 -9.485 311 HE1 TYR 41 HE2 TYR 41 5.174 -3.513 -12.859 312 HE2 TYR 41 HE1 TYR 41 6.461 -2.842 -8.804 313 HH TYR 41 HH TYR 41 5.324 -4.714 -9.491 314 H SER 42 H SER 42 10.453 1.751 -11.334 315 HA SER 42 HA SER 42 9.762 4.184 -12.722 316 HB2 SER 42 HB2 SER 42 12.014 3.751 -10.701 317 HB3 SER 42 HB3 SER 42 11.125 5.254 -11.097 318 HG SER 42 HG SER 42 9.918 2.913 -10.069 319 H ASN 43 H ASN 43 12.692 2.111 -12.650 320 HA ASN 43 HA ASN 43 14.281 3.859 -14.313 321 HB2 ASN 43 HB2 ASN 43 14.493 0.930 -13.530 322 HB3 ASN 43 HB3 ASN 43 15.695 1.833 -14.477 323 HD21 ASN 43 HD22 ASN 43 17.348 1.646 -12.935 324 HD22 ASN 43 HD21 ASN 43 17.308 2.544 -11.431 325 H LYS 44 H LYS 44 12.474 0.786 -14.849 326 HA LYS 44 HA LYS 44 12.689 0.495 -17.685 327 HB2 LYS 44 HB2 LYS 44 11.936 -1.188 -16.120 328 HB3 LYS 44 HB3 LYS 44 10.501 -0.229 -15.723 329 HG2 LYS 44 HG2 LYS 44 9.695 -0.430 -18.034 330 HG3 LYS 44 HG3 LYS 44 11.176 -1.308 -18.503 331 HD2 LYS 44 HD2 LYS 44 10.624 -3.094 -16.878 332 HD3 LYS 44 HD3 LYS 44 9.141 -2.220 -16.428 333 HE2 LYS 44 HE2 LYS 44 8.305 -2.420 -18.739 334 HE3 LYS 44 HE3 LYS 44 9.796 -3.238 -19.227 335 HZ1 LYS 44 HZ1 LYS 44 7.874 -4.236 -17.225 336 HZ2 LYS 44 HZ2 LYS 44 8.023 -4.792 -18.764 337 HZ3 LYS 44 HZ3 LYS 44 9.245 -5.008 -17.693 338 H ALA 45 H ALA 45 10.564 2.545 -15.629 339 HA ALA 45 HA ALA 45 8.767 3.164 -17.820 340 HB1 ALA 45 HB1 ALA 45 9.157 4.464 -15.090 341 HB2 ALA 45 HB2 ALA 45 7.858 4.872 -16.240 342 HB3 ALA 45 HB3 ALA 45 7.930 3.253 -15.542 343 H MET 46 H MET 46 11.456 4.991 -16.187 344 HA MET 46 HA MET 46 11.035 7.346 -17.700 345 HB2 MET 46 HB2 MET 46 12.470 7.099 -15.633 346 HB3 MET 46 HB3 MET 46 13.671 6.262 -16.634 347 HG2 MET 46 HG2 MET 46 14.363 8.520 -16.442 348 HG3 MET 46 HG3 MET 46 13.802 8.313 -18.092 349 HE1 MET 46 HE1 MET 46 12.069 9.597 -19.217 350 HE2 MET 46 HE2 MET 46 10.634 9.081 -18.296 351 HE3 MET 46 HE3 MET 46 10.981 10.801 -18.498 352 H ALA 47 H ALA 47 12.741 4.328 -18.417 353 HA ALA 47 HA ALA 47 14.046 5.268 -20.809 354 HB1 ALA 47 HB1 ALA 47 14.312 2.813 -21.204 355 HB2 ALA 47 HB2 ALA 47 14.822 3.316 -19.574 356 HB3 ALA 47 HB3 ALA 47 13.251 2.516 -19.805 357 H LEU 48 H LEU 48 10.828 3.780 -20.107 358 HA LEU 48 HA LEU 48 10.151 3.312 -22.832 359 HB2 LEU 48 HB2 LEU 48 8.509 3.764 -20.321 360 HB3 LEU 48 HB3 LEU 48 7.760 3.441 -21.894 361 HG LEU 48 HG LEU 48 9.828 1.600 -20.635 362 HD11 LEU 48 HD11 LEU 48 6.788 1.504 -20.623 363 HD12 LEU 48 HD12 LEU 48 7.846 0.163 -20.104 364 HD13 LEU 48 HD13 LEU 48 7.840 1.696 -19.203 365 HD21 LEU 48 HD21 LEU 48 8.993 -0.025 -22.250 366 HD22 LEU 48 HD22 LEU 48 7.820 1.155 -22.865 367 HD23 LEU 48 HD23 LEU 48 9.569 1.427 -23.100 368 H ILE 49 H ILE 49 10.007 6.304 -20.870 369 HA ILE 49 HA ILE 49 8.434 7.773 -22.832 370 HB ILE 49 HB ILE 49 10.351 8.450 -20.556 371 HG12 ILE 49 HG12 ILE 49 8.314 9.824 -19.823 372 HG13 ILE 49 HG13 ILE 49 7.407 8.991 -21.087 373 HG21 ILE 49 HG21 ILE 49 9.142 10.465 -22.479 374 HG22 ILE 49 HG22 ILE 49 9.993 10.853 -20.973 375 HG23 ILE 49 HG23 ILE 49 10.882 10.079 -22.295 376 HD11 ILE 49 HD11 ILE 49 8.888 7.672 -18.767 377 HD12 ILE 49 HD12 ILE 49 7.137 7.893 -18.884 378 HD13 ILE 49 HD13 ILE 49 7.974 6.813 -20.034 379 H LYS 50 H LYS 50 11.951 7.408 -22.197 380 HA LYS 50 HA LYS 50 12.786 8.910 -24.444 381 HB2 LYS 50 HB2 LYS 50 13.877 7.363 -22.255 382 HB3 LYS 50 HB3 LYS 50 14.683 6.936 -23.768 383 HG2 LYS 50 HG2 LYS 50 15.846 8.826 -22.782 384 HG3 LYS 50 HG3 LYS 50 15.007 9.365 -24.251 385 HD2 LYS 50 HD2 LYS 50 14.636 11.031 -22.589 386 HD3 LYS 50 HD3 LYS 50 13.101 10.165 -22.733 387 HE2 LYS 50 HE2 LYS 50 13.499 8.966 -20.698 388 HE3 LYS 50 HE3 LYS 50 15.222 9.369 -20.726 389 HZ1 LYS 50 HZ1 LYS 50 14.641 11.666 -20.330 390 HZ2 LYS 50 HZ2 LYS 50 13.041 11.324 -20.328 391 HZ3 LYS 50 HZ3 LYS 50 14.011 10.732 -19.139 392 H LEU 51 H LEU 51 11.182 5.879 -24.346 393 HA LEU 51 HA LEU 51 12.218 5.054 -27.011 394 HB2 LEU 51 HB2 LEU 51 10.676 3.676 -24.795 395 HB3 LEU 51 HB3 LEU 51 10.869 2.987 -26.409 396 HG LEU 51 HG LEU 51 13.216 3.772 -24.627 397 HD11 LEU 51 HD11 LEU 51 11.941 1.044 -25.100 398 HD12 LEU 51 HD12 LEU 51 13.438 1.353 -24.184 399 HD13 LEU 51 HD13 LEU 51 11.883 1.967 -23.584 400 HD21 LEU 51 HD21 LEU 51 13.775 3.663 -27.021 401 HD22 LEU 51 HD22 LEU 51 14.482 2.285 -26.151 402 HD23 LEU 51 HD23 LEU 51 13.026 2.050 -27.135 403 H GLY 52 H GLY 52 9.771 6.741 -25.351 404 HA2 GLY 52 HA2 GLY 52 7.870 7.754 -25.993 405 HA3 GLY 52 HA3 GLY 52 8.183 7.267 -27.666 406 H GLU 53 H GLU 53 8.230 4.779 -25.311 407 HA GLU 53 HA GLU 53 5.586 3.695 -26.073 408 HB2 GLU 53 HB2 GLU 53 7.967 2.623 -24.465 409 HB3 GLU 53 HB3 GLU 53 6.526 1.660 -24.864 410 HG2 GLU 53 HG2 GLU 53 8.286 2.968 -26.980 411 HG3 GLU 53 HG3 GLU 53 8.603 1.361 -26.353 412 H TYR 54 H TYR 54 5.585 6.028 -24.884 413 HA TYR 54 HA TYR 54 5.118 6.394 -22.249 414 HB2 TYR 54 HB2 TYR 54 3.249 7.033 -24.534 415 HB3 TYR 54 HB3 TYR 54 3.258 7.865 -23.093 416 HD1 TYR 54 HD1 TYR 54 6.056 8.661 -22.608 417 HD2 TYR 54 HD2 TYR 54 4.043 8.124 -26.351 418 HE1 TYR 54 HE1 TYR 54 7.643 10.263 -23.694 419 HE2 TYR 54 HE2 TYR 54 5.644 9.680 -27.454 420 HH TYR 54 HH TYR 54 8.270 11.291 -25.626 421 H THR 55 H THR 55 3.015 4.558 -24.567 422 HA THR 55 HA THR 55 0.694 4.431 -23.006 423 HB THR 55 HB THR 55 1.607 2.010 -24.530 424 HG1 THR 55 HG1 THR 55 0.982 3.075 -26.443 425 HG21 THR 55 HG21 THR 55 -0.593 2.108 -23.419 426 HG22 THR 55 HG22 THR 55 -0.979 3.601 -24.301 427 HG23 THR 55 HG23 THR 55 -0.788 2.059 -25.189 428 H GLN 56 H GLN 56 3.631 2.461 -22.950 429 HA GLN 56 HA GLN 56 2.631 0.636 -20.891 430 HB2 GLN 56 HB2 GLN 56 5.416 1.071 -22.061 431 HB3 GLN 56 HB3 GLN 56 4.876 -0.331 -21.116 432 HG2 GLN 56 HG2 GLN 56 3.933 0.578 -23.875 433 HG3 GLN 56 HG3 GLN 56 4.912 -0.838 -23.529 434 HE21 GLN 56 HE22 GLN 56 1.719 0.580 -23.452 435 HE22 GLN 56 HE21 GLN 56 0.825 -0.887 -23.078 436 H ALA 57 H ALA 57 4.834 3.397 -21.191 437 HA ALA 57 HA ALA 57 6.003 3.411 -18.657 438 HB1 ALA 57 HB1 ALA 57 6.570 4.903 -20.610 439 HB2 ALA 57 HB2 ALA 57 5.046 5.764 -20.364 440 HB3 ALA 57 HB3 ALA 57 6.300 5.827 -19.101 441 H ILE 58 H ILE 58 2.854 4.762 -19.686 442 HA ILE 58 HA ILE 58 2.175 6.096 -17.280 443 HB ILE 58 HB ILE 58 0.479 4.706 -19.389 444 HG12 ILE 58 HG12 ILE 58 0.918 7.693 -19.224 445 HG13 ILE 58 HG13 ILE 58 2.175 6.692 -19.936 446 HG21 ILE 58 HG21 ILE 58 -1.334 6.257 -18.742 447 HG22 ILE 58 HG22 ILE 58 -0.885 5.218 -17.372 448 HG23 ILE 58 HG23 ILE 58 -0.335 6.917 -17.450 449 HD11 ILE 58 HD11 ILE 58 -0.737 6.822 -20.839 450 HD12 ILE 58 HD12 ILE 58 0.712 7.385 -21.720 451 HD13 ILE 58 HD13 ILE 58 0.453 5.652 -21.453 452 H GLN 59 H GLN 59 1.861 2.641 -18.309 453 HA GLN 59 HA GLN 59 0.237 1.861 -16.076 454 HB2 GLN 59 HB2 GLN 59 2.040 0.234 -17.896 455 HB3 GLN 59 HB3 GLN 59 0.736 -0.356 -16.835 456 HG2 GLN 59 HG2 GLN 59 0.554 1.280 -19.368 457 HG3 GLN 59 HG3 GLN 59 -0.178 -0.298 -19.009 458 HE21 GLN 59 HE22 GLN 59 -0.941 2.810 -19.514 459 HE22 GLN 59 HE21 GLN 59 -2.305 3.003 -18.421 460 H MET 60 H MET 60 3.731 1.959 -16.781 461 HA MET 60 HA MET 60 4.622 0.383 -14.534 462 HB2 MET 60 HB2 MET 60 6.003 2.657 -15.985 463 HB3 MET 60 HB3 MET 60 6.771 1.498 -14.878 464 HG2 MET 60 HG2 MET 60 5.604 0.950 -17.613 465 HG3 MET 60 HG3 MET 60 7.293 0.897 -17.117 466 HE1 MET 60 HE1 MET 60 4.209 -2.390 -17.000 467 HE2 MET 60 HE2 MET 60 3.754 -0.813 -16.314 468 HE3 MET 60 HE3 MET 60 4.324 -0.914 -17.996 469 H CYS 61 H CYS 61 4.042 3.917 -14.949 470 HA CYS 61 HA CYS 61 5.297 4.611 -12.479 471 HB2 CYS 61 HB2 CYS 61 3.251 6.061 -14.206 472 HB3 CYS 61 HB3 CYS 61 4.176 6.790 -12.877 473 HG CYS 61 HG CYS 61 5.305 5.306 -15.606 474 H GLN 62 H GLN 62 1.800 4.563 -13.368 475 HA GLN 62 HA GLN 62 0.829 4.827 -10.752 476 HB2 GLN 62 HB2 GLN 62 -1.259 3.837 -11.581 477 HB3 GLN 62 HB3 GLN 62 -0.605 5.129 -12.614 478 HG2 GLN 62 HG2 GLN 62 -0.928 3.711 -14.331 479 HG3 GLN 62 HG3 GLN 62 0.494 2.839 -13.727 480 HE21 GLN 62 HE22 GLN 62 0.151 0.977 -12.316 481 HE22 GLN 62 HE21 GLN 62 -1.373 0.120 -12.343 482 H GLN 63 H GLN 63 2.169 1.883 -12.235 483 HA GLN 63 HA GLN 63 1.360 0.076 -10.118 484 HB2 GLN 63 HB2 GLN 63 2.957 0.080 -12.545 485 HB3 GLN 63 HB3 GLN 63 3.968 -0.511 -11.235 486 HG2 GLN 63 HG2 GLN 63 2.881 -2.305 -12.388 487 HG3 GLN 63 HG3 GLN 63 2.308 -2.250 -10.702 488 HE21 GLN 63 HE22 GLN 63 1.466 -1.779 -14.113 489 HE22 GLN 63 HE21 GLN 63 -0.268 -1.674 -13.863 490 H GLY 64 H GLY 64 4.384 2.031 -10.656 491 HA2 GLY 64 HA2 GLY 64 5.819 1.191 -8.483 492 HA3 GLY 64 HA3 GLY 64 5.813 2.855 -9.083 493 H LEU 65 H LEU 65 3.032 3.435 -8.477 494 HA LEU 65 HA LEU 65 3.277 4.423 -5.824 495 HB2 LEU 65 HB2 LEU 65 0.963 4.100 -7.761 496 HB3 LEU 65 HB3 LEU 65 0.771 4.896 -6.195 497 HG LEU 65 HG LEU 65 2.802 5.808 -8.267 498 HD11 LEU 65 HD11 LEU 65 0.037 6.914 -7.669 499 HD12 LEU 65 HD12 LEU 65 1.195 7.490 -8.904 500 HD13 LEU 65 HD13 LEU 65 0.439 5.903 -9.082 501 HD21 LEU 65 HD21 LEU 65 1.645 6.990 -5.697 502 HD22 LEU 65 HD22 LEU 65 3.353 6.614 -6.033 503 HD23 LEU 65 HD23 LEU 65 2.540 7.958 -6.866 504 H ARG 66 H ARG 66 2.588 1.206 -6.725 505 HA ARG 66 HA ARG 66 0.456 0.670 -4.800 506 HB2 ARG 66 HB2 ARG 66 2.294 -0.966 -6.613 507 HB3 ARG 66 HB3 ARG 66 0.960 -1.676 -5.712 508 HG2 ARG 66 HG2 ARG 66 -0.627 -0.146 -6.852 509 HG3 ARG 66 HG3 ARG 66 0.708 0.531 -7.802 510 HD2 ARG 66 HD2 ARG 66 -0.314 -1.149 -9.146 511 HD3 ARG 66 HD3 ARG 66 1.265 -1.754 -8.628 512 HE ARG 66 HE ARG 66 -0.304 -2.803 -6.697 513 HH11 ARG 66 HH11 ARG 66 -0.752 -2.759 -10.208 514 HH12 ARG 66 HH12 ARG 66 -1.652 -4.259 -10.223 515 HH21 ARG 66 HH21 ARG 66 -1.490 -4.746 -6.759 516 HH22 ARG 66 HH22 ARG 66 -2.074 -5.369 -8.285 517 H TYR 67 H TYR 67 3.798 1.000 -4.954 518 HA TYR 67 HA TYR 67 4.305 -0.723 -2.576 519 HB2 TYR 67 HB2 TYR 67 6.258 0.116 -4.720 520 HB3 TYR 67 HB3 TYR 67 6.380 -1.252 -3.607 521 HD1 TYR 67 HD1 TYR 67 4.365 -3.010 -3.826 522 HD2 TYR 67 HD2 TYR 67 5.573 -0.229 -6.876 523 HE1 TYR 67 HE1 TYR 67 3.318 -4.459 -5.535 524 HE2 TYR 67 HE2 TYR 67 4.360 -1.579 -8.574 525 HH TYR 67 HH TYR 67 2.741 -4.668 -7.752 526 H THR 68 H THR 68 4.272 2.567 -3.545 527 HA THR 68 HA THR 68 6.611 3.410 -2.063 528 HB THR 68 HB THR 68 5.717 5.703 -2.558 529 HG1 THR 68 HG1 THR 68 3.516 5.215 -2.598 530 HG21 THR 68 HG21 THR 68 5.973 3.670 -4.796 531 HG22 THR 68 HG22 THR 68 5.843 5.424 -5.085 532 HG23 THR 68 HG23 THR 68 7.212 4.764 -4.158 533 H SER 69 H SER 69 4.709 1.835 -0.529 534 HA SER 69 HA SER 69 3.066 3.369 1.193 535 HB2 SER 69 HB2 SER 69 3.156 1.274 2.554 536 HB3 SER 69 HB3 SER 69 2.852 0.979 0.811 537 HG SER 69 HG SER 69 4.436 -0.412 1.708 538 H THR 70 H THR 70 6.412 3.417 1.016 539 HA THR 70 HA THR 70 6.682 4.313 3.837 540 HB THR 70 HB THR 70 7.242 2.051 4.099 541 HG1 THR 70 HG1 THR 70 9.494 2.097 4.379 542 HG21 THR 70 HG21 THR 70 8.657 2.261 1.419 543 HG22 THR 70 HG22 THR 70 8.844 0.880 2.527 544 HG23 THR 70 HG23 THR 70 7.247 1.267 1.854 545 H ALA 71 H ALA 71 8.776 5.349 4.282 546 HA ALA 71 HA ALA 71 9.151 7.405 2.318 547 HB1 ALA 71 HB1 ALA 71 10.647 6.848 4.905 548 HB2 ALA 71 HB2 ALA 71 10.652 8.373 3.981 549 HB3 ALA 71 HB3 ALA 71 9.157 7.809 4.747 550 H GLU 72 H GLU 72 10.734 4.326 2.587 551 HA GLU 72 HA GLU 72 13.261 5.150 1.449 552 HB2 GLU 72 HB2 GLU 72 13.404 2.744 0.791 553 HB3 GLU 72 HB3 GLU 72 13.075 2.979 2.509 554 HG2 GLU 72 HG2 GLU 72 10.621 2.655 1.981 555 HG3 GLU 72 HG3 GLU 72 11.087 2.227 0.335 556 H HIS 73 H HIS 73 10.060 5.129 0.271 557 HA HIS 73 HA HIS 73 10.986 4.845 -2.545 558 HB2 HIS 73 HB2 HIS 73 8.444 3.921 -1.182 559 HB3 HIS 73 HB3 HIS 73 8.643 3.988 -2.931 560 HD2 HIS 73 HD2 HIS 73 11.929 2.913 -2.203 561 HE1 HIS 73 HE1 HIS 73 9.779 -0.735 -1.846 562 HE2 HIS 73 HE2 HIS 73 12.094 0.300 -2.128 563 H VAL 74 H VAL 74 9.996 7.140 -0.360 564 HA VAL 74 HA VAL 74 7.956 8.547 -1.738 565 HB VAL 74 HB VAL 74 8.704 9.008 0.579 566 HG11 VAL 74 HG11 VAL 74 11.109 10.387 -0.682 567 HG12 VAL 74 HG12 VAL 74 10.721 10.270 1.042 568 HG13 VAL 74 HG13 VAL 74 11.187 8.811 0.135 569 HG21 VAL 74 HG21 VAL 74 8.598 11.465 0.402 570 HG22 VAL 74 HG22 VAL 74 9.058 11.365 -1.314 571 HG23 VAL 74 HG23 VAL 74 7.484 10.718 -0.785 572 H ALA 75 H ALA 75 11.421 8.344 -2.209 573 HA ALA 75 HA ALA 75 11.962 10.549 -3.853 574 HB1 ALA 75 HB1 ALA 75 12.974 7.681 -4.098 575 HB2 ALA 75 HB2 ALA 75 13.789 9.144 -4.700 576 HB3 ALA 75 HB3 ALA 75 13.607 8.894 -2.942 577 H ILE 76 H ILE 76 10.664 7.342 -4.586 578 HA ILE 76 HA ILE 76 10.643 7.734 -7.470 579 HB ILE 76 HB ILE 76 9.635 5.570 -5.599 580 HG12 ILE 76 HG12 ILE 76 12.261 6.328 -6.066 581 HG13 ILE 76 HG13 ILE 76 11.729 4.767 -5.584 582 HG21 ILE 76 HG21 ILE 76 9.829 5.847 -8.616 583 HG22 ILE 76 HG22 ILE 76 9.699 4.260 -7.821 584 HG23 ILE 76 HG23 ILE 76 8.403 5.450 -7.624 585 HD11 ILE 76 HD11 ILE 76 12.048 5.910 -8.422 586 HD12 ILE 76 HD12 ILE 76 13.283 4.909 -7.610 587 HD13 ILE 76 HD13 ILE 76 11.715 4.185 -8.077 588 H ARG 77 H ARG 77 8.428 7.790 -4.735 589 HA ARG 77 HA ARG 77 5.959 7.794 -6.170 590 HB2 ARG 77 HB2 ARG 77 6.077 7.509 -3.761 591 HB3 ARG 77 HB3 ARG 77 6.712 9.151 -3.544 592 HG2 ARG 77 HG2 ARG 77 4.140 8.878 -5.050 593 HG3 ARG 77 HG3 ARG 77 4.082 8.518 -3.311 594 HD2 ARG 77 HD2 ARG 77 5.082 10.694 -2.781 595 HD3 ARG 77 HD3 ARG 77 5.200 11.092 -4.499 596 HE ARG 77 HE ARG 77 2.494 10.417 -3.864 597 HH11 ARG 77 HH11 ARG 77 4.869 12.992 -3.355 598 HH12 ARG 77 HH12 ARG 77 3.655 14.243 -3.227 599 HH21 ARG 77 HH21 ARG 77 0.935 12.079 -3.711 600 HH22 ARG 77 HH22 ARG 77 1.434 13.724 -3.429 601 H SER 78 H SER 78 8.466 10.119 -5.861 602 HA SER 78 HA SER 78 6.916 12.406 -6.863 603 HB2 SER 78 HB2 SER 78 8.978 12.403 -5.248 604 HB3 SER 78 HB3 SER 78 9.926 11.980 -6.661 605 HG SER 78 HG SER 78 9.858 14.253 -6.297 606 H LYS 79 H LYS 79 8.661 9.693 -8.216 607 HA LYS 79 HA LYS 79 9.105 11.114 -10.776 608 HB2 LYS 79 HB2 LYS 79 9.897 8.340 -9.795 609 HB3 LYS 79 HB3 LYS 79 10.385 9.083 -11.342 610 HG2 LYS 79 HG2 LYS 79 11.550 10.872 -10.187 611 HG3 LYS 79 HG3 LYS 79 10.984 10.280 -8.611 612 HD2 LYS 79 HD2 LYS 79 12.287 8.221 -8.875 613 HD3 LYS 79 HD3 LYS 79 12.836 8.758 -10.488 614 HE2 LYS 79 HE2 LYS 79 13.801 10.781 -9.476 615 HE3 LYS 79 HE3 LYS 79 13.267 10.255 -7.866 616 HZ1 LYS 79 HZ1 LYS 79 15.562 9.712 -8.231 617 HZ2 LYS 79 HZ2 LYS 79 14.698 8.316 -8.134 618 HZ3 LYS 79 HZ3 LYS 79 15.210 8.863 -9.587 619 H LEU 80 H LEU 80 7.202 8.461 -9.350 620 HA LEU 80 HA LEU 80 6.055 7.469 -11.775 621 HB2 LEU 80 HB2 LEU 80 5.271 7.488 -8.852 622 HB3 LEU 80 HB3 LEU 80 4.241 6.728 -10.059 623 HG LEU 80 HG LEU 80 5.567 4.908 -10.289 624 HD11 LEU 80 HD11 LEU 80 8.088 6.438 -9.762 625 HD12 LEU 80 HD12 LEU 80 7.892 4.700 -10.145 626 HD13 LEU 80 HD13 LEU 80 7.423 5.904 -11.342 627 HD21 LEU 80 HD21 LEU 80 6.462 6.095 -7.632 628 HD22 LEU 80 HD22 LEU 80 5.009 5.128 -7.917 629 HD23 LEU 80 HD23 LEU 80 6.621 4.379 -8.077 630 H GLN 81 H GLN 81 5.682 10.495 -10.314 631 HA GLN 81 HA GLN 81 2.986 10.939 -11.405 632 HB2 GLN 81 HB2 GLN 81 4.853 11.837 -9.242 633 HB3 GLN 81 HB3 GLN 81 3.822 13.124 -9.846 634 HG2 GLN 81 HG2 GLN 81 3.052 11.785 -7.855 635 HG3 GLN 81 HG3 GLN 81 1.886 12.056 -9.213 636 HE21 GLN 81 HE22 GLN 81 4.272 9.670 -7.972 637 HE22 GLN 81 HE21 GLN 81 3.381 8.260 -8.520 638 H TYR 82 H TYR 82 6.316 11.514 -12.075 639 HA TYR 82 HA TYR 82 5.845 14.018 -13.585 640 HB2 TYR 82 HB2 TYR 82 7.930 13.978 -12.509 641 HB3 TYR 82 HB3 TYR 82 8.182 12.263 -12.875 642 HD1 TYR 82 HD2 TYR 82 7.856 15.531 -14.730 643 HD2 TYR 82 HD1 TYR 82 9.621 11.623 -14.480 644 HE1 TYR 82 HE2 TYR 82 9.289 16.052 -16.696 645 HE2 TYR 82 HE1 TYR 82 11.137 12.165 -16.363 646 HH TYR 82 HH TYR 82 11.708 13.730 -17.950 647 H ARG 83 H ARG 83 7.426 10.897 -14.429 648 HA ARG 83 HA ARG 83 6.888 11.432 -17.237 649 HB2 ARG 83 HB2 ARG 83 8.250 9.634 -17.768 650 HB3 ARG 83 HB3 ARG 83 9.043 10.439 -16.424 651 HG2 ARG 83 HG2 ARG 83 7.241 8.044 -15.969 652 HG3 ARG 83 HG3 ARG 83 8.926 7.827 -16.467 653 HD2 ARG 83 HD2 ARG 83 8.367 9.644 -14.141 654 HD3 ARG 83 HD3 ARG 83 8.243 7.880 -13.925 655 HE ARG 83 HE ARG 83 10.710 9.196 -15.016 656 HH11 ARG 83 HH11 ARG 83 9.127 6.926 -12.832 657 HH12 ARG 83 HH12 ARG 83 10.619 6.435 -12.059 658 HH21 ARG 83 HH21 ARG 83 12.650 8.571 -13.956 659 HH22 ARG 83 HH22 ARG 83 12.610 7.332 -12.731 660 H LEU 84 H LEU 84 5.099 10.148 -14.757 661 HA LEU 84 HA LEU 84 3.410 8.309 -16.223 662 HB2 LEU 84 HB2 LEU 84 3.246 8.327 -13.836 663 HB3 LEU 84 HB3 LEU 84 3.132 10.054 -13.752 664 HG LEU 84 HG LEU 84 0.888 10.067 -14.702 665 HD11 LEU 84 HD11 LEU 84 1.126 7.026 -14.712 666 HD12 LEU 84 HD12 LEU 84 -0.357 7.970 -15.024 667 HD13 LEU 84 HD13 LEU 84 0.992 8.064 -16.153 668 HD21 LEU 84 HD21 LEU 84 1.216 8.092 -12.407 669 HD22 LEU 84 HD22 LEU 84 1.300 9.854 -12.265 670 HD23 LEU 84 HD23 LEU 84 -0.223 9.077 -12.758 671 H GLU 85 H GLU 85 3.570 11.867 -15.794 672 HA GLU 85 HA GLU 85 0.880 12.251 -16.888 673 HB2 GLU 85 HB2 GLU 85 3.074 14.040 -15.849 674 HB3 GLU 85 HB3 GLU 85 1.548 14.674 -16.501 675 HG2 GLU 85 HG2 GLU 85 1.722 12.603 -14.269 676 HG3 GLU 85 HG3 GLU 85 1.593 14.346 -14.017 677 H LEU 86 H LEU 86 4.276 12.885 -17.830 678 HA LEU 86 HA LEU 86 3.582 14.390 -20.166 679 HB2 LEU 86 HB2 LEU 86 5.883 14.527 -20.528 680 HB3 LEU 86 HB3 LEU 86 5.700 14.347 -18.769 681 HG LEU 86 HG LEU 86 6.116 11.797 -19.263 682 HD11 LEU 86 HD11 LEU 86 7.449 13.172 -21.651 683 HD12 LEU 86 HD12 LEU 86 7.672 11.473 -21.163 684 HD13 LEU 86 HD13 LEU 86 6.106 12.020 -21.778 685 HD21 LEU 86 HD21 LEU 86 7.572 13.323 -17.963 686 HD22 LEU 86 HD22 LEU 86 8.529 12.221 -18.968 687 HD23 LEU 86 HD23 LEU 86 8.303 13.912 -19.469 688 H ALA 87 H ALA 87 4.218 10.932 -19.580 689 HA ALA 87 HA ALA 87 4.490 10.044 -22.184 690 HB1 ALA 87 HB1 ALA 87 3.339 8.775 -19.660 691 HB2 ALA 87 HB2 ALA 87 3.809 7.850 -21.098 692 HB3 ALA 87 HB3 ALA 87 5.037 8.751 -20.186 693 H GLN 88 H GLN 88 1.513 9.881 -20.095 694 HA GLN 88 HA GLN 88 -0.294 9.096 -22.124 695 HB2 GLN 88 HB2 GLN 88 -2.032 9.947 -20.606 696 HB3 GLN 88 HB3 GLN 88 -0.878 8.756 -19.931 697 HG2 GLN 88 HG2 GLN 88 0.378 10.550 -18.875 698 HG3 GLN 88 HG3 GLN 88 -0.673 11.763 -19.604 699 HE21 GLN 88 HE22 GLN 88 -0.101 9.775 -16.893 700 HE22 GLN 88 HE21 GLN 88 -1.645 9.949 -16.083 701 H GLY 89 H GLY 89 1.138 12.181 -21.486 702 HA2 GLY 89 HA2 GLY 89 -0.914 13.651 -23.032 703 HA3 GLY 89 HA3 GLY 89 0.444 14.346 -22.113 704 H ALA 90 H ALA 90 1.364 11.608 -23.896 705 HA ALA 90 HA ALA 90 2.277 13.169 -26.272 706 HB1 ALA 90 HB1 ALA 90 3.890 11.289 -24.535 707 HB2 ALA 90 HB2 ALA 90 4.483 12.112 -25.988 708 HB3 ALA 90 HB3 ALA 90 4.081 13.074 -24.532 709 H VAL 91 H VAL 91 1.120 10.165 -24.834 710 HA VAL 91 HA VAL 91 2.345 8.222 -26.410 711 HB VAL 91 HB VAL 91 -0.517 8.232 -25.888 712 HG11 VAL 91 HG11 VAL 91 0.540 6.305 -27.064 713 HG12 VAL 91 HG12 VAL 91 1.617 6.056 -25.653 714 HG13 VAL 91 HG13 VAL 91 -0.134 5.789 -25.490 715 HG21 VAL 91 HG21 VAL 91 1.435 7.713 -23.697 716 HG22 VAL 91 HG22 VAL 91 0.243 9.054 -23.901 717 HG23 VAL 91 HG23 VAL 91 -0.316 7.380 -23.668 718 H GLY 92 H GLY 92 -0.639 9.905 -27.117 719 HA2 GLY 92 HA2 GLY 92 -1.166 8.611 -29.620 720 HA3 GLY 92 HA3 GLY 92 -2.008 10.018 -28.961 721 H SER 93 H SER 93 1.238 10.889 -29.052 722 HA SER 93 HA SER 93 0.853 12.686 -31.268 723 HB2 SER 93 HB2 SER 93 3.386 11.850 -29.803 724 HB3 SER 93 HB3 SER 93 3.246 13.211 -30.932 725 HG SER 93 HG SER 93 1.831 12.871 -28.496 726 H VAL 94 H VAL 94 2.554 12.829 -33.024 727 HA VAL 94 HA VAL 94 3.147 12.122 -35.062 728 HB VAL 94 HB VAL 94 4.487 9.933 -33.450 729 HG11 VAL 94 HG11 VAL 94 4.910 11.007 -36.276 730 HG12 VAL 94 HG12 VAL 94 5.963 9.819 -35.461 731 HG13 VAL 94 HG13 VAL 94 4.284 9.404 -35.869 732 HG21 VAL 94 HG21 VAL 94 6.458 11.416 -33.640 733 HG22 VAL 94 HG22 VAL 94 5.454 12.654 -34.432 734 HG23 VAL 94 HG23 VAL 94 5.143 12.198 -32.739 735 H GLN 95 H GLN 95 1.234 11.680 -36.105 736 HA GLN 95 HA GLN 95 0.588 8.806 -36.232 737 HB2 GLN 95 HB2 GLN 95 -1.217 11.260 -36.230 738 HB3 GLN 95 HB3 GLN 95 -1.722 9.595 -36.585 739 HG2 GLN 95 HG2 GLN 95 -0.458 10.535 -33.963 740 HG3 GLN 95 HG3 GLN 95 -2.186 10.273 -34.211 741 HE21 GLN 95 HE22 GLN 95 0.363 8.891 -32.743 742 HE22 GLN 95 HE21 GLN 95 -0.050 7.199 -32.927 743 H ILE 96 H ILE 96 2.113 11.103 -37.915 744 HA ILE 96 HA ILE 96 1.089 10.153 -40.519 745 HB ILE 96 HB ILE 96 1.198 12.486 -41.397 746 HG12 ILE 96 HG12 ILE 96 1.330 13.272 -38.451 747 HG13 ILE 96 HG13 ILE 96 2.670 13.425 -39.602 748 HG21 ILE 96 HG21 ILE 96 -0.984 13.137 -40.567 749 HG22 ILE 96 HG22 ILE 96 -0.928 11.373 -40.716 750 HG23 ILE 96 HG23 ILE 96 -0.782 12.132 -39.115 751 HD11 ILE 96 HD11 ILE 96 -0.013 14.856 -39.756 752 HD12 ILE 96 HD12 ILE 96 1.563 15.569 -39.367 753 HD13 ILE 96 HD13 ILE 96 1.261 14.939 -41.000 754 HA PRO 97 HA PRO 97 5.802 10.802 -40.055 755 HB2 PRO 97 HB2 PRO 97 6.742 8.302 -39.519 756 HB3 PRO 97 HB3 PRO 97 6.157 9.400 -38.226 757 HG2 PRO 97 HG2 PRO 97 4.609 7.187 -39.621 758 HG3 PRO 97 HG3 PRO 97 4.793 7.463 -37.859 759 HD2 PRO 97 HD2 PRO 97 2.623 8.369 -39.224 760 HD3 PRO 97 HD3 PRO 97 3.370 9.335 -37.911 761 H VAL 98 H VAL 98 7.523 9.644 -41.422 762 HA VAL 98 HA VAL 98 6.490 9.244 -44.081 763 HB VAL 98 HB VAL 98 9.301 8.856 -43.023 764 HG11 VAL 98 HG11 VAL 98 9.937 9.277 -45.397 765 HG12 VAL 98 HG12 VAL 98 8.953 7.811 -45.250 766 HG13 VAL 98 HG13 VAL 98 8.217 9.324 -45.840 767 HG21 VAL 98 HG21 VAL 98 7.947 11.283 -44.287 768 HG22 VAL 98 HG22 VAL 98 8.486 11.153 -42.598 769 HG23 VAL 98 HG23 VAL 98 9.678 11.152 -43.909 770 H VAL 99 H VAL 99 5.050 7.397 -43.456 771 HA VAL 99 HA VAL 99 6.289 4.810 -43.017 772 HB VAL 99 HB VAL 99 3.489 5.441 -44.018 773 HG11 VAL 99 HG11 VAL 99 4.783 2.983 -42.753 774 HG12 VAL 99 HG12 VAL 99 3.051 3.134 -43.171 775 HG13 VAL 99 HG13 VAL 99 4.288 3.124 -44.447 776 HG21 VAL 99 HG21 VAL 99 3.891 6.469 -41.805 777 HG22 VAL 99 HG22 VAL 99 2.837 5.047 -41.648 778 HG23 VAL 99 HG23 VAL 99 4.547 4.928 -41.199 779 H GLU 100 H GLU 100 7.926 4.880 -44.669 780 HA GLU 100 HA GLU 100 7.285 5.010 -47.456 781 HB2 GLU 100 HB2 GLU 100 9.443 5.667 -46.488 782 HB3 GLU 100 HB3 GLU 100 9.723 4.012 -45.893 783 HG2 GLU 100 HG2 GLU 100 9.845 3.123 -48.101 784 HG3 GLU 100 HG3 GLU 100 9.247 4.672 -48.741 785 H VAL 101 H VAL 101 7.243 3.358 -48.945 786 HA VAL 101 HA VAL 101 7.242 0.530 -48.024 787 HB VAL 101 HB VAL 101 5.088 1.764 -49.770 788 HG11 VAL 101 HG11 VAL 101 5.449 -1.015 -48.570 789 HG12 VAL 101 HG12 VAL 101 4.031 -0.466 -49.500 790 HG13 VAL 101 HG13 VAL 101 5.622 -0.579 -50.287 791 HG21 VAL 101 HG21 VAL 101 4.786 2.497 -47.453 792 HG22 VAL 101 HG22 VAL 101 3.560 1.284 -47.871 793 HG23 VAL 101 HG23 VAL 101 4.961 0.818 -46.874 794 H ASP 102 H ASP 102 8.402 -0.707 -49.414 795 HA ASP 102 HA ASP 102 8.692 -0.050 -52.222 796 HB2 ASP 102 HB2 ASP 102 10.167 1.622 -51.052 797 HB3 ASP 102 HB3 ASP 102 11.059 0.277 -50.332 798 H GLU 103 H GLU 103 7.792 -2.324 -50.720 799 HA GLU 103 HA GLU 103 9.858 -4.276 -50.437 800 HB2 GLU 103 HB2 GLU 103 8.158 -5.872 -50.097 801 HB3 GLU 103 HB3 GLU 103 7.643 -4.389 -49.298 802 HG2 GLU 103 HG2 GLU 103 6.699 -5.175 -52.096 803 HG3 GLU 103 HG3 GLU 103 5.900 -5.724 -50.627 804 H LEU 104 H LEU 104 9.229 -6.567 -51.650 805 HA LEU 104 HA LEU 104 10.439 -6.399 -54.194 806 HB2 LEU 104 HB2 LEU 104 9.016 -8.751 -53.938 807 HB3 LEU 104 HB3 LEU 104 10.760 -8.479 -53.665 808 HG LEU 104 HG LEU 104 10.160 -8.340 -51.202 809 HD11 LEU 104 HD11 LEU 104 7.919 -9.341 -50.651 810 HD12 LEU 104 HD12 LEU 104 7.680 -7.741 -51.426 811 HD13 LEU 104 HD13 LEU 104 7.473 -9.261 -52.354 812 HD21 LEU 104 HD21 LEU 104 10.793 -10.347 -52.642 813 HD22 LEU 104 HD22 LEU 104 9.645 -10.838 -51.350 814 HD23 LEU 104 HD23 LEU 104 9.083 -10.519 -53.026 815 HA PRO 105 HA PRO 105 7.511 -6.812 -57.514 816 HB2 PRO 105 HB2 PRO 105 7.912 -9.784 -57.008 817 HB3 PRO 105 HB3 PRO 105 7.688 -9.003 -58.578 818 HG2 PRO 105 HG2 PRO 105 10.186 -9.505 -57.797 819 HG3 PRO 105 HG3 PRO 105 9.831 -7.800 -58.300 820 HD2 PRO 105 HD2 PRO 105 9.903 -9.016 -55.549 821 HD3 PRO 105 HD3 PRO 105 10.690 -7.525 -56.039 822 H GLU 106 H GLU 106 5.321 -7.283 -57.985 823 HA GLU 106 HA GLU 106 3.675 -7.611 -55.592 824 HB2 GLU 106 HB2 GLU 106 1.839 -6.860 -57.003 825 HB3 GLU 106 HB3 GLU 106 3.216 -5.771 -57.165 826 HG2 GLU 106 HG2 GLU 106 2.612 -8.024 -59.140 827 HG3 GLU 106 HG3 GLU 106 1.973 -6.390 -59.301 828 H GLY 107 H GLY 107 5.121 -9.859 -57.175 829 HA2 GLY 107 HA2 GLY 107 3.090 -11.894 -56.741 830 HA3 GLY 107 HA3 GLY 107 3.507 -11.656 -58.462 831 H TYR 108 H TYR 108 5.817 -11.096 -55.858 832 HA TYR 108 HA TYR 108 7.939 -12.434 -57.033 833 HB2 TYR 108 HB2 TYR 108 7.995 -10.692 -55.269 834 HB3 TYR 108 HB3 TYR 108 7.238 -11.799 -54.145 835 HD1 TYR 108 HD1 TYR 108 10.307 -11.275 -56.187 836 HD2 TYR 108 HD2 TYR 108 8.501 -13.198 -52.798 837 HE1 TYR 108 HE1 TYR 108 12.553 -11.815 -55.327 838 HE2 TYR 108 HE2 TYR 108 10.752 -13.784 -51.919 839 HH TYR 108 HH TYR 108 13.757 -12.880 -53.661 840 H ASP 109 H ASP 109 5.906 -13.481 -54.395 841 HA ASP 109 HA ASP 109 5.815 -15.380 -53.148 842 HB2 ASP 109 HB2 ASP 109 4.216 -15.564 -55.079 843 HB3 ASP 109 HB3 ASP 109 5.399 -16.581 -55.913 844 H ARG 110 H ARG 110 8.606 -14.828 -54.000 845 HA ARG 110 HA ARG 110 10.658 -15.751 -53.975 846 HB2 ARG 110 HB2 ARG 110 9.564 -16.440 -51.733 847 HB3 ARG 110 HB3 ARG 110 9.467 -18.068 -52.436 848 HG2 ARG 110 HG2 ARG 110 11.983 -17.950 -52.807 849 HG3 ARG 110 HG3 ARG 110 11.976 -16.391 -51.969 850 HD2 ARG 110 HD2 ARG 110 10.986 -17.491 -49.972 851 HD3 ARG 110 HD3 ARG 110 11.006 -19.042 -50.840 852 HE ARG 110 HE ARG 110 13.632 -17.992 -50.900 853 HH11 ARG 110 HH11 ARG 110 11.328 -19.217 -48.512 854 HH12 ARG 110 HH12 ARG 110 12.575 -19.761 -47.415 855 HH21 ARG 110 HH21 ARG 110 15.239 -18.708 -49.446 856 HH22 ARG 110 HH22 ARG 110 14.778 -19.473 -47.946 857 H SER 111 H SER 111 8.590 -16.785 -56.091 858 HA SER 111 HA SER 111 10.437 -18.683 -57.325 859 HB2 SER 111 HB2 SER 111 9.132 -20.107 -55.768 860 HB3 SER 111 HB3 SER 111 7.629 -19.566 -56.542 861 HG SER 111 HG SER 111 8.411 -21.542 -57.430 862 H1 ALA 701 H1 ALA 701 20.721 16.696 -15.243 863 H2 ALA 701 H2 ALA 701 19.087 16.634 -15.435 864 H3 ALA 701 H3 ALA 701 19.733 16.653 -13.926 865 HA ALA 701 HA ALA 701 20.583 18.862 -14.238 866 HB1 ALA 701 HB1 ALA 701 19.964 20.110 -16.258 867 HB2 ALA 701 HB2 ALA 701 20.934 18.679 -16.671 868 HB3 ALA 701 HB3 ALA 701 19.175 18.664 -16.927 869 H ASP 702 H ASP 702 19.402 19.710 -12.652 870 HA ASP 702 HA ASP 702 17.635 20.318 -11.373 871 HB2 ASP 702 HB2 ASP 702 16.513 21.092 -14.084 872 HB3 ASP 702 HB3 ASP 702 15.925 21.683 -12.521 873 H THR 703 H THR 703 17.645 17.517 -12.264 874 HA THR 703 HA THR 703 14.809 16.870 -11.663 875 HB THR 703 HB THR 703 14.928 15.049 -13.396 876 HG1 THR 703 HG1 THR 703 16.488 15.371 -15.045 877 HG21 THR 703 HG21 THR 703 15.105 17.854 -14.528 878 HG22 THR 703 HG22 THR 703 14.482 16.406 -15.360 879 HG23 THR 703 HG23 THR 703 13.639 17.040 -13.920 880 H GLU 704 H GLU 704 14.540 14.610 -11.143 881 HA GLU 704 HA GLU 704 17.007 13.063 -10.565 882 HB2 GLU 704 HB2 GLU 704 16.032 12.267 -8.447 883 HB3 GLU 704 HB3 GLU 704 16.346 14.008 -8.433 884 HG2 GLU 704 HG2 GLU 704 13.978 14.467 -8.905 885 HG3 GLU 704 HG3 GLU 704 13.638 12.732 -8.972 886 H MET 705 H MET 705 13.684 13.246 -11.661 887 HA MET 705 HA MET 705 13.121 10.455 -11.938 888 HB2 MET 705 HB2 MET 705 11.775 11.487 -13.961 889 HB3 MET 705 HB3 MET 705 11.225 11.712 -12.307 890 HG2 MET 705 HG2 MET 705 13.038 13.723 -13.712 891 HG3 MET 705 HG3 MET 705 11.288 13.788 -13.845 892 HE1 MET 705 HE1 MET 705 9.806 13.428 -11.794 893 HE2 MET 705 HE2 MET 705 10.784 12.724 -10.514 894 HE3 MET 705 HE3 MET 705 10.047 14.322 -10.254 895 H GLU 706 H GLU 706 15.064 12.773 -13.785 896 HA GLU 706 HA GLU 706 15.330 10.835 -15.986 897 HB2 GLU 706 HB2 GLU 706 14.721 13.275 -16.328 898 HB3 GLU 706 HB3 GLU 706 16.392 13.686 -15.908 899 HG2 GLU 706 HG2 GLU 706 17.188 12.227 -17.776 900 HG3 GLU 706 HG3 GLU 706 15.520 11.700 -18.057 901 H GLU 707 H GLU 707 16.425 10.572 -13.254 902 HA GLU 707 HA GLU 707 19.187 9.877 -14.016 903 HB2 GLU 707 HB2 GLU 707 19.060 12.088 -12.724 904 HB3 GLU 707 HB3 GLU 707 18.496 11.145 -11.334 905 HG2 GLU 707 HG2 GLU 707 20.592 9.804 -11.410 906 HG3 GLU 707 HG3 GLU 707 21.107 10.687 -12.855 907 H VAL 708 H VAL 708 16.753 8.455 -14.003 908 HA VAL 708 HA VAL 708 15.759 6.572 -13.383 909 HB VAL 708 HB VAL 708 17.081 4.689 -13.184 910 HG11 VAL 708 HG11 VAL 708 17.215 5.892 -15.288 911 HG12 VAL 708 HG12 VAL 708 18.653 6.783 -14.707 912 HG13 VAL 708 HG13 VAL 708 18.743 5.026 -14.919 913 HG21 VAL 708 HG21 VAL 708 19.357 4.563 -12.590 914 HG22 VAL 708 HG22 VAL 708 19.559 6.336 -12.575 915 HG23 VAL 708 HG23 VAL 708 18.615 5.524 -11.300 916 H ASP 709 H ASP 709 16.644 4.657 -11.265 917 HA ASP 709 HA ASP 709 14.790 4.998 -9.369 918 HB2 ASP 709 HB2 ASP 709 16.176 3.646 -7.852 919 HB3 ASP 709 HB3 ASP 709 16.006 2.992 -9.471
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