NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
641502 | 6k8q | 36264 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 1.703 -11.357 12.931 2 HA2 GLY 1 HA3 GLY 1 4.563 -12.024 12.859 3 HA3 GLY 1 HA2 GLY 1 3.725 -12.210 11.318 4 H SER 2 H SER 2 5.778 -10.186 12.429 5 HA SER 2 HA SER 2 4.476 -7.613 12.524 6 HB2 SER 2 HB3 SER 2 7.314 -8.396 11.783 7 HB3 SER 2 HB2 SER 2 6.790 -6.803 12.323 8 HG SER 2 HG SER 2 7.358 -7.676 14.188 9 H ASP 3 H ASP 3 5.671 -9.644 9.905 10 HA ASP 3 HA ASP 3 5.880 -7.729 7.822 11 HB2 ASP 3 HB3 ASP 3 5.316 -9.798 6.409 12 HB3 ASP 3 HB2 ASP 3 6.668 -9.971 7.530 13 H THR 4 H THR 4 3.043 -9.638 8.887 14 HA THR 4 HA THR 4 1.168 -8.729 6.974 15 HB THR 4 HB THR 4 0.918 -9.487 9.900 16 HG1 THR 4 HG1 THR 4 1.701 -10.951 8.114 17 HG21 THR 4 HG21 THR 4 -1.175 -8.995 7.780 18 HG22 THR 4 HG22 THR 4 -1.092 -8.324 9.409 19 HG23 THR 4 HG23 THR 4 -1.485 -10.027 9.176 20 H GLN 5 H GLN 5 1.868 -7.377 10.221 21 HA GLN 5 HA GLN 5 0.086 -5.181 10.143 22 HB2 GLN 5 HB3 GLN 5 2.847 -5.487 11.372 23 HB3 GLN 5 HB2 GLN 5 1.681 -4.242 11.826 24 HG2 GLN 5 HG3 GLN 5 0.153 -5.838 12.699 25 HG3 GLN 5 HG2 GLN 5 0.987 -7.181 11.916 26 HE21 GLN 5 HE21 GLN 5 1.613 -8.358 13.798 27 HE22 GLN 5 HE22 GLN 5 2.647 -7.727 14.988 28 H LEU 6 H LEU 6 3.327 -5.563 8.765 29 HA LEU 6 HA LEU 6 3.950 -2.898 8.091 30 HB2 LEU 6 HB3 LEU 6 4.927 -5.457 7.647 31 HB3 LEU 6 HB2 LEU 6 4.543 -4.895 6.019 32 HG LEU 6 HG LEU 6 5.774 -2.715 7.337 33 HD11 LEU 6 HD11 LEU 6 8.040 -4.215 7.588 34 HD12 LEU 6 HD12 LEU 6 6.824 -5.353 8.171 35 HD13 LEU 6 HD13 LEU 6 6.998 -3.777 8.943 36 HD21 LEU 6 HD21 LEU 6 7.633 -3.303 5.667 37 HD22 LEU 6 HD22 LEU 6 6.023 -3.061 4.987 38 HD23 LEU 6 HD23 LEU 6 6.646 -4.694 5.220 39 H PHE 7 H PHE 7 2.057 -5.288 6.230 40 HA PHE 7 HA PHE 7 1.411 -3.402 4.105 41 HB2 PHE 7 HB3 PHE 7 1.101 -5.433 3.155 42 HB3 PHE 7 HB2 PHE 7 1.243 -6.210 4.727 43 HD1 PHE 7 HD1 PHE 7 -0.553 -7.539 5.364 44 HD2 PHE 7 HD2 PHE 7 -1.277 -4.103 2.888 45 HE1 PHE 7 HE1 PHE 7 -2.971 -8.087 5.310 46 HE2 PHE 7 HE2 PHE 7 -3.696 -4.651 2.835 47 HZ PHE 7 HZ PHE 7 -4.542 -6.644 4.045 48 H ASN 8 H ASN 8 -0.195 -4.579 7.042 49 HA ASN 8 HA ASN 8 -2.816 -3.618 6.599 50 HB2 ASN 8 HB3 ASN 8 -1.046 -4.059 8.993 51 HB3 ASN 8 HB2 ASN 8 -2.666 -3.396 9.208 52 HD21 ASN 8 HD21 ASN 8 -1.639 -6.120 9.997 53 HD22 ASN 8 HD22 ASN 8 -2.657 -7.226 9.208 54 H ARG 9 H ARG 9 -0.095 -1.913 8.220 55 HA ARG 9 HA ARG 9 -1.542 0.556 8.528 56 HB2 ARG 9 HB3 ARG 9 0.713 1.438 9.049 57 HB3 ARG 9 HB2 ARG 9 0.408 -0.089 9.870 58 HG2 ARG 9 HG3 ARG 9 2.258 -0.941 8.925 59 HG3 ARG 9 HG2 ARG 9 1.537 -0.711 7.337 60 HD2 ARG 9 HD3 ARG 9 2.538 1.797 8.481 61 HD3 ARG 9 HD2 ARG 9 3.812 0.586 8.234 62 HE ARG 9 HE ARG 9 2.377 0.393 5.909 63 HH11 ARG 9 HH11 ARG 9 3.688 3.042 7.700 64 HH12 ARG 9 HH12 ARG 9 3.944 4.027 6.299 65 HH21 ARG 9 HH21 ARG 9 2.716 1.666 4.079 66 HH22 ARG 9 HH22 ARG 9 3.396 3.250 4.252 67 H ALA 10 H ALA 10 0.447 -0.764 5.934 68 HA ALA 10 HA ALA 10 0.785 1.693 4.458 69 HB1 ALA 10 HB1 ALA 10 2.097 -0.463 4.274 70 HB2 ALA 10 HB2 ALA 10 1.565 0.189 2.725 71 HB3 ALA 10 HB3 ALA 10 0.706 -1.168 3.453 72 H VAL 11 H VAL 11 -1.585 -0.976 4.257 73 HA VAL 11 HA VAL 11 -3.044 0.189 2.042 74 HB VAL 11 HB VAL 11 -2.845 -2.242 3.334 75 HG11 VAL 11 HG11 VAL 11 -5.030 -2.812 4.229 76 HG12 VAL 11 HG12 VAL 11 -5.640 -1.197 3.872 77 HG13 VAL 11 HG13 VAL 11 -4.407 -1.419 5.113 78 HG21 VAL 11 HG21 VAL 11 -5.287 -1.752 1.696 79 HG22 VAL 11 HG22 VAL 11 -4.055 -3.004 1.536 80 HG23 VAL 11 HG23 VAL 11 -3.728 -1.367 0.967 81 H SER 12 H SER 12 -3.336 0.316 5.578 82 HA SER 12 HA SER 12 -5.909 1.492 5.808 83 HB2 SER 12 HB3 SER 12 -4.433 0.594 7.626 84 HB3 SER 12 HB2 SER 12 -3.404 2.012 7.444 85 HG SER 12 HG SER 12 -4.843 3.174 8.460 86 H MET 13 H MET 13 -2.717 3.106 5.633 87 HA MET 13 HA MET 13 -3.727 5.788 5.545 88 HB2 MET 13 HB3 MET 13 -1.419 6.262 4.762 89 HB3 MET 13 HB2 MET 13 -1.417 5.125 6.111 90 HG2 MET 13 HG3 MET 13 -1.194 3.244 4.564 91 HG3 MET 13 HG2 MET 13 -1.282 4.339 3.185 92 HE1 MET 13 HE1 MET 13 1.897 6.324 3.172 93 HE2 MET 13 HE2 MET 13 0.178 6.637 3.410 94 HE3 MET 13 HE3 MET 13 0.698 5.522 2.148 95 H VAL 14 H VAL 14 -3.149 3.357 3.050 96 HA VAL 14 HA VAL 14 -3.432 5.165 0.794 97 HB VAL 14 HB VAL 14 -3.456 2.176 1.228 98 HG11 VAL 14 HG11 VAL 14 -3.534 3.614 -1.440 99 HG12 VAL 14 HG12 VAL 14 -4.926 2.812 -0.713 100 HG13 VAL 14 HG13 VAL 14 -3.509 1.871 -1.179 101 HG21 VAL 14 HG21 VAL 14 -1.520 3.875 -0.352 102 HG22 VAL 14 HG22 VAL 14 -1.265 2.263 0.317 103 HG23 VAL 14 HG23 VAL 14 -1.350 3.660 1.391 104 H GLU 15 H GLU 15 -5.657 2.935 2.492 105 HA GLU 15 HA GLU 15 -7.834 3.413 0.610 106 HB2 GLU 15 HB3 GLU 15 -9.052 1.947 2.081 107 HB3 GLU 15 HB2 GLU 15 -7.399 1.340 2.003 108 HG2 GLU 15 HG3 GLU 15 -6.898 2.608 4.107 109 HG3 GLU 15 HG2 GLU 15 -8.610 3.024 4.211 110 H LYS 16 H LYS 16 -6.697 4.987 3.522 111 HA LYS 16 HA LYS 16 -9.275 6.386 3.936 112 HB2 LYS 16 HB3 LYS 16 -8.165 7.255 5.907 113 HB3 LYS 16 HB2 LYS 16 -7.754 5.545 5.778 114 HG2 LYS 16 HG3 LYS 16 -5.557 5.975 5.378 115 HG3 LYS 16 HG2 LYS 16 -5.906 7.368 4.360 116 HD2 LYS 16 HD3 LYS 16 -6.688 7.922 7.083 117 HD3 LYS 16 HD2 LYS 16 -5.007 7.393 7.035 118 HE2 LYS 16 HE3 LYS 16 -4.651 9.624 6.554 119 HE3 LYS 16 HE2 LYS 16 -5.026 9.086 4.905 120 HZ1 LYS 16 HZ1 LYS 16 -7.367 9.526 5.333 121 HZ2 LYS 16 HZ2 LYS 16 -6.447 10.939 5.544 122 HZ3 LYS 16 HZ3 LYS 16 -7.000 10.073 6.896 123 H ASN 17 H ASN 17 -6.347 6.806 2.194 124 HA ASN 17 HA ASN 17 -5.962 9.604 2.186 125 HB2 ASN 17 HB3 ASN 17 -4.487 7.889 1.175 126 HB3 ASN 17 HB2 ASN 17 -5.698 7.594 -0.074 127 HD21 ASN 17 HD21 ASN 17 -2.854 8.824 -0.171 128 HD22 ASN 17 HD22 ASN 17 -3.076 10.277 -1.018 129 H LYS 18 H LYS 18 -7.288 11.235 1.505 130 HA LYS 18 HA LYS 18 -9.856 10.784 0.300 131 HB2 LYS 18 HB3 LYS 18 -9.792 13.282 0.100 132 HB3 LYS 18 HB2 LYS 18 -9.316 12.715 1.700 133 HG2 LYS 18 HG3 LYS 18 -6.907 12.709 0.412 134 HG3 LYS 18 HG2 LYS 18 -7.705 14.074 -0.371 135 HD2 LYS 18 HD3 LYS 18 -8.362 14.515 2.244 136 HD3 LYS 18 HD2 LYS 18 -6.764 13.789 2.414 137 HE2 LYS 18 HE3 LYS 18 -6.274 15.508 0.366 138 HE3 LYS 18 HE2 LYS 18 -7.523 16.411 1.247 139 HZ1 LYS 18 HZ1 LYS 18 -5.013 16.491 1.992 140 HZ2 LYS 18 HZ2 LYS 18 -5.443 15.062 2.802 141 HZ3 LYS 18 HZ3 LYS 18 -6.271 16.509 3.130 142 H ASP 19 H ASP 19 -6.662 11.552 -1.033 143 HA ASP 19 HA ASP 19 -7.428 12.310 -3.667 144 HB2 ASP 19 HB3 ASP 19 -5.011 10.773 -2.654 145 HB3 ASP 19 HB2 ASP 19 -5.101 11.619 -4.199 146 H ILE 20 H ILE 20 -6.546 9.076 -2.392 147 HA ILE 20 HA ILE 20 -7.192 7.687 -4.853 148 HB ILE 20 HB ILE 20 -7.003 6.711 -1.984 149 HG12 ILE 20 HG13 ILE 20 -4.962 7.859 -2.466 150 HG13 ILE 20 HG12 ILE 20 -4.619 6.151 -2.740 151 HG21 ILE 20 HG21 ILE 20 -6.614 4.549 -2.904 152 HG22 ILE 20 HG22 ILE 20 -6.399 5.196 -4.530 153 HG23 ILE 20 HG23 ILE 20 -8.000 5.187 -3.789 154 HD11 ILE 20 HD11 ILE 20 -5.326 8.187 -4.875 155 HD12 ILE 20 HD12 ILE 20 -5.043 6.471 -5.164 156 HD13 ILE 20 HD13 ILE 20 -3.728 7.497 -4.591 157 H ARG 21 H ARG 21 -8.955 8.536 -1.918 158 HA ARG 21 HA ARG 21 -11.210 6.866 -2.099 159 HB2 ARG 21 HB3 ARG 21 -10.974 8.239 -0.202 160 HB3 ARG 21 HB2 ARG 21 -10.658 9.679 -1.167 161 HG2 ARG 21 HG3 ARG 21 -13.049 9.534 -1.993 162 HG3 ARG 21 HG2 ARG 21 -13.312 8.269 -0.791 163 HD2 ARG 21 HD3 ARG 21 -13.967 10.206 0.382 164 HD3 ARG 21 HD2 ARG 21 -12.266 10.048 0.867 165 HE ARG 21 HE ARG 21 -12.656 11.567 -1.608 166 HH11 ARG 21 HH11 ARG 21 -12.464 11.620 1.843 167 HH12 ARG 21 HH12 ARG 21 -11.993 13.284 1.917 168 HH21 ARG 21 HH21 ARG 21 -12.043 13.735 -1.518 169 HH22 ARG 21 HH22 ARG 21 -11.756 14.480 0.019 170 H SER 22 H SER 22 -10.401 9.784 -3.939 171 HA SER 22 HA SER 22 -12.981 10.143 -5.184 172 HB2 SER 22 HB3 SER 22 -11.895 11.963 -6.014 173 HB3 SER 22 HB2 SER 22 -10.551 11.462 -4.994 174 HG SER 22 HG SER 22 -9.738 11.592 -7.030 175 H LEU 23 H LEU 23 -10.028 8.386 -6.126 176 HA LEU 23 HA LEU 23 -10.862 7.655 -8.767 177 HB2 LEU 23 HB3 LEU 23 -9.093 6.113 -6.843 178 HB3 LEU 23 HB2 LEU 23 -9.014 6.095 -8.605 179 HG LEU 23 HG LEU 23 -8.284 8.350 -6.731 180 HD11 LEU 23 HD11 LEU 23 -6.169 7.787 -7.262 181 HD12 LEU 23 HD12 LEU 23 -6.543 7.776 -8.986 182 HD13 LEU 23 HD13 LEU 23 -6.827 6.332 -8.012 183 HD21 LEU 23 HD21 LEU 23 -8.633 8.480 -9.744 184 HD22 LEU 23 HD22 LEU 23 -8.028 9.780 -8.717 185 HD23 LEU 23 HD23 LEU 23 -9.702 9.243 -8.567 186 H LEU 24 H LEU 24 -11.140 5.943 -5.641 187 HA LEU 24 HA LEU 24 -12.579 3.680 -6.785 188 HB2 LEU 24 HB3 LEU 24 -11.524 4.632 -4.210 189 HB3 LEU 24 HB2 LEU 24 -13.020 3.711 -4.055 190 HG LEU 24 HG LEU 24 -10.965 2.279 -3.964 191 HD11 LEU 24 HD11 LEU 24 -11.865 0.559 -5.349 192 HD12 LEU 24 HD12 LEU 24 -12.570 1.728 -6.466 193 HD13 LEU 24 HD13 LEU 24 -13.249 1.532 -4.850 194 HD21 LEU 24 HD21 LEU 24 -10.301 3.870 -6.251 195 HD22 LEU 24 HD22 LEU 24 -10.409 2.186 -6.765 196 HD23 LEU 24 HD23 LEU 24 -9.317 2.641 -5.457 197 H GLN 25 H GLN 25 -13.516 6.824 -6.361 198 HA GLN 25 HA GLN 25 -15.625 7.881 -6.188 199 HB2 GLN 25 HB3 GLN 25 -16.679 5.120 -6.849 200 HB3 GLN 25 HB2 GLN 25 -17.366 6.679 -7.306 201 HG2 GLN 25 HG3 GLN 25 -15.368 7.135 -8.703 202 HG3 GLN 25 HG2 GLN 25 -14.728 5.545 -8.281 203 HE21 GLN 25 HE21 GLN 25 -15.521 3.739 -9.443 204 HE22 GLN 25 HE22 GLN 25 -16.744 3.836 -10.615 205 H CYS 26 H CYS 26 -14.450 6.470 -3.810 206 HA CYS 26 HA CYS 26 -16.394 5.062 -2.296 207 HB2 CYS 26 HB3 CYS 26 -13.975 6.753 -1.761 208 HB3 CYS 26 HB2 CYS 26 -14.973 6.259 -0.392 209 HG CYS 26 HG CYS 26 -14.552 3.775 -1.864 210 H ASP 27 H ASP 27 -17.030 6.320 -0.020 211 HA ASP 27 HA ASP 27 -18.161 8.998 -0.603 212 HB2 ASP 27 HB3 ASP 27 -19.578 6.489 -0.825 213 HB3 ASP 27 HB2 ASP 27 -20.289 7.464 0.460 214 H ASP 28 H ASP 28 -19.799 9.319 1.534 215 HA ASP 28 HA ASP 28 -19.022 8.187 4.026 216 HB2 ASP 28 HB3 ASP 28 -17.204 10.137 2.801 217 HB3 ASP 28 HB2 ASP 28 -17.691 10.590 4.435 218 H GLY 29 H GLY 29 -21.270 8.548 4.438 219 HA2 GLY 29 HA3 GLY 29 -21.928 11.380 5.092 220 HA3 GLY 29 HA2 GLY 29 -23.063 10.431 4.131 221 H ILE 30 H ILE 30 -24.157 11.316 6.367 222 HA ILE 30 HA ILE 30 -23.725 9.649 8.708 223 HB ILE 30 HB ILE 30 -24.612 11.907 8.863 224 HG12 ILE 30 HG13 ILE 30 -27.042 10.231 9.413 225 HG13 ILE 30 HG12 ILE 30 -25.554 9.898 10.299 226 HG21 ILE 30 HG21 ILE 30 -26.169 11.023 6.600 227 HG22 ILE 30 HG22 ILE 30 -25.942 12.662 7.211 228 HG23 ILE 30 HG23 ILE 30 -27.242 11.655 7.849 229 HD11 ILE 30 HD11 ILE 30 -26.317 11.517 11.710 230 HD12 ILE 30 HD12 ILE 30 -27.384 12.213 10.491 231 HD13 ILE 30 HD13 ILE 30 -25.668 12.617 10.495 232 H THR 31 H THR 31 -25.578 9.344 5.778 233 HA THR 31 HA THR 31 -27.443 7.345 6.867 234 HB THR 31 HB THR 31 -28.005 9.007 5.091 235 HG1 THR 31 HG1 THR 31 -29.329 7.359 4.890 236 HG21 THR 31 HG21 THR 31 -26.758 9.254 3.223 237 HG22 THR 31 HG22 THR 31 -26.670 7.513 2.957 238 HG23 THR 31 HG23 THR 31 -25.537 8.296 4.059 239 H GLY 32 H GLY 32 -24.325 7.375 5.262 240 HA2 GLY 32 HA3 GLY 32 -23.823 4.624 5.809 241 HA3 GLY 32 HA2 GLY 32 -24.353 4.764 4.132 242 H LYS 33 H LYS 33 -21.643 4.267 5.591 243 HA LYS 33 HA LYS 33 -20.075 6.295 4.028 244 HB2 LYS 33 HB3 LYS 33 -19.516 4.836 6.628 245 HB3 LYS 33 HB2 LYS 33 -18.326 5.836 5.794 246 HG2 LYS 33 HG3 LYS 33 -19.190 7.653 6.795 247 HG3 LYS 33 HG2 LYS 33 -20.714 7.362 5.956 248 HD2 LYS 33 HD3 LYS 33 -19.993 5.879 8.485 249 HD3 LYS 33 HD2 LYS 33 -20.801 7.448 8.528 250 HE2 LYS 33 HE3 LYS 33 -22.456 6.319 6.806 251 HE3 LYS 33 HE2 LYS 33 -21.840 4.815 7.519 252 HZ1 LYS 33 HZ1 LYS 33 -23.675 5.571 8.838 253 HZ2 LYS 33 HZ2 LYS 33 -23.010 7.129 8.970 254 HZ3 LYS 33 HZ3 LYS 33 -22.252 5.813 9.730 255 H GLU 34 H GLU 34 -18.372 5.472 2.746 256 HA GLU 34 HA GLU 34 -18.587 2.666 1.957 257 HB2 GLU 34 HB3 GLU 34 -18.182 4.579 0.417 258 HB3 GLU 34 HB2 GLU 34 -16.627 4.857 1.202 259 HG2 GLU 34 HG3 GLU 34 -16.348 3.536 -0.863 260 HG3 GLU 34 HG2 GLU 34 -15.892 2.591 0.556 261 H ARG 35 H ARG 35 -17.106 1.022 2.401 262 HA ARG 35 HA ARG 35 -14.817 1.695 4.223 263 HB2 ARG 35 HB3 ARG 35 -16.958 0.553 5.160 264 HB3 ARG 35 HB2 ARG 35 -16.402 -0.875 4.286 265 HG2 ARG 35 HG3 ARG 35 -14.134 0.111 5.631 266 HG3 ARG 35 HG2 ARG 35 -15.452 0.200 6.800 267 HD2 ARG 35 HD3 ARG 35 -15.844 -2.272 5.568 268 HD3 ARG 35 HD2 ARG 35 -14.082 -2.160 5.758 269 HE ARG 35 HE ARG 35 -15.401 -1.213 8.137 270 HH11 ARG 35 HH11 ARG 35 -14.605 -4.059 6.347 271 HH12 ARG 35 HH12 ARG 35 -14.566 -5.081 7.744 272 HH21 ARG 35 HH21 ARG 35 -15.345 -2.537 9.963 273 HH22 ARG 35 HH22 ARG 35 -14.984 -4.222 9.787 274 H LEU 36 H LEU 36 -12.860 0.895 3.492 275 HA LEU 36 HA LEU 36 -12.950 -0.965 1.149 276 HB2 LEU 36 HB3 LEU 36 -10.905 1.047 2.125 277 HB3 LEU 36 HB2 LEU 36 -10.691 0.024 0.704 278 HG LEU 36 HG LEU 36 -13.177 1.685 0.942 279 HD11 LEU 36 HD11 LEU 36 -10.603 2.797 1.092 280 HD12 LEU 36 HD12 LEU 36 -12.099 3.648 0.709 281 HD13 LEU 36 HD13 LEU 36 -11.096 2.999 -0.588 282 HD21 LEU 36 HD21 LEU 36 -13.417 0.641 -1.055 283 HD22 LEU 36 HD22 LEU 36 -11.731 0.122 -1.069 284 HD23 LEU 36 HD23 LEU 36 -12.164 1.731 -1.647 285 H LYS 37 H LYS 37 -11.659 -2.797 1.133 286 HA LYS 37 HA LYS 37 -10.120 -3.447 3.622 287 HB2 LYS 37 HB3 LYS 37 -12.575 -4.520 2.779 288 HB3 LYS 37 HB2 LYS 37 -11.378 -5.733 2.319 289 HG2 LYS 37 HG3 LYS 37 -10.606 -4.875 4.882 290 HG3 LYS 37 HG2 LYS 37 -12.359 -5.052 4.962 291 HD2 LYS 37 HD3 LYS 37 -12.276 -7.316 4.685 292 HD3 LYS 37 HD2 LYS 37 -10.937 -7.226 3.542 293 HE2 LYS 37 HE3 LYS 37 -9.348 -7.406 5.191 294 HE3 LYS 37 HE2 LYS 37 -10.304 -6.463 6.351 295 HZ1 LYS 37 HZ1 LYS 37 -11.317 -9.066 5.439 296 HZ2 LYS 37 HZ2 LYS 37 -11.588 -8.261 6.910 297 HZ3 LYS 37 HZ3 LYS 37 -10.103 -9.036 6.623 298 H ALA 38 H ALA 38 -8.211 -4.694 3.198 299 HA ALA 38 HA ALA 38 -7.668 -5.329 0.323 300 HB1 ALA 38 HB1 ALA 38 -6.324 -3.442 2.192 301 HB2 ALA 38 HB2 ALA 38 -6.511 -3.346 0.440 302 HB3 ALA 38 HB3 ALA 38 -5.273 -4.389 1.141 303 H TYR 39 H TYR 39 -5.816 -6.818 0.065 304 HA TYR 39 HA TYR 39 -4.960 -8.319 2.479 305 HB2 TYR 39 HB3 TYR 39 -5.622 -10.434 1.015 306 HB3 TYR 39 HB2 TYR 39 -6.832 -9.632 2.013 307 HD1 TYR 39 HD1 TYR 39 -8.886 -9.418 0.958 308 HD2 TYR 39 HD2 TYR 39 -5.298 -8.995 -1.364 309 HE1 TYR 39 HE1 TYR 39 -10.249 -8.958 -1.062 310 HE2 TYR 39 HE2 TYR 39 -6.663 -8.534 -3.384 311 HH TYR 39 HH TYR 39 -8.903 -7.722 -3.941 312 H GLY 40 H GLY 40 -3.311 -10.081 1.717 313 HA2 GLY 40 HA3 GLY 40 -1.195 -8.852 0.300 314 HA3 GLY 40 HA2 GLY 40 -1.322 -10.588 0.575 315 H GLU 41 H GLU 41 -1.427 -11.794 -1.244 316 HA GLU 41 HA GLU 41 -2.352 -10.458 -3.758 317 HB2 GLU 41 HB3 GLU 41 -0.661 -12.950 -3.412 318 HB3 GLU 41 HB2 GLU 41 -0.831 -11.963 -4.865 319 HG2 GLU 41 HG3 GLU 41 0.244 -10.068 -3.718 320 HG3 GLU 41 HG2 GLU 41 0.398 -11.035 -2.251 321 H LEU 42 H LEU 42 -2.302 -13.363 -4.830 322 HA LEU 42 HA LEU 42 -5.031 -13.916 -4.953 323 HB2 LEU 42 HB3 LEU 42 -2.476 -15.252 -5.384 324 HB3 LEU 42 HB2 LEU 42 -3.736 -16.393 -4.908 325 HG LEU 42 HG LEU 42 -4.942 -14.622 -6.751 326 HD11 LEU 42 HD11 LEU 42 -3.384 -15.172 -8.738 327 HD12 LEU 42 HD12 LEU 42 -2.146 -15.464 -7.515 328 HD13 LEU 42 HD13 LEU 42 -2.888 -13.870 -7.657 329 HD21 LEU 42 HD21 LEU 42 -5.767 -16.729 -7.009 330 HD22 LEU 42 HD22 LEU 42 -4.259 -17.479 -6.487 331 HD23 LEU 42 HD23 LEU 42 -4.441 -16.935 -8.154 332 H ILE 43 H ILE 43 -6.509 -14.911 -3.596 333 HA ILE 43 HA ILE 43 -5.561 -16.331 -1.165 334 HB ILE 43 HB ILE 43 -7.206 -14.834 0.147 335 HG12 ILE 43 HG13 ILE 43 -6.840 -12.516 -1.458 336 HG13 ILE 43 HG12 ILE 43 -7.505 -13.767 -2.509 337 HG21 ILE 43 HG21 ILE 43 -4.494 -14.621 -0.391 338 HG22 ILE 43 HG22 ILE 43 -5.364 -13.736 0.862 339 HG23 ILE 43 HG23 ILE 43 -5.096 -12.996 -0.717 340 HD11 ILE 43 HD11 ILE 43 -9.324 -12.527 -1.430 341 HD12 ILE 43 HD12 ILE 43 -8.650 -12.892 0.158 342 HD13 ILE 43 HD13 ILE 43 -9.296 -14.190 -0.845 343 H THR 44 H THR 44 -7.497 -17.349 -0.019 344 HA THR 44 HA THR 44 -10.018 -17.559 -1.501 345 HB THR 44 HB THR 44 -8.511 -18.918 -2.868 346 HG1 THR 44 HG1 THR 44 -10.595 -19.734 -2.568 347 HG21 THR 44 HG21 THR 44 -7.352 -20.865 -1.882 348 HG22 THR 44 HG22 THR 44 -7.943 -20.399 -0.287 349 HG23 THR 44 HG23 THR 44 -6.811 -19.356 -1.147 350 H ASN 45 H ASN 45 -9.071 -17.014 1.260 351 HA ASN 45 HA ASN 45 -10.787 -19.001 2.651 352 HB2 ASN 45 HB3 ASN 45 -8.002 -19.195 2.543 353 HB3 ASN 45 HB2 ASN 45 -8.320 -18.458 4.114 354 HD21 ASN 45 HD21 ASN 45 -9.124 -19.815 5.761 355 HD22 ASN 45 HD22 ASN 45 -9.587 -21.430 5.518 356 H ASP 46 H ASP 46 -10.012 -18.122 5.273 357 HA ASP 46 HA ASP 46 -10.546 -15.187 5.246 358 HB2 ASP 46 HB3 ASP 46 -12.518 -17.105 5.526 359 HB3 ASP 46 HB2 ASP 46 -12.117 -16.724 7.201 360 H LYS 47 H LYS 47 -9.662 -14.131 7.056 361 HA LYS 47 HA LYS 47 -8.232 -13.862 8.919 362 HB2 LYS 47 HB3 LYS 47 -10.227 -15.872 9.427 363 HB3 LYS 47 HB2 LYS 47 -8.737 -16.323 10.258 364 HG2 LYS 47 HG3 LYS 47 -9.126 -14.760 11.825 365 HG3 LYS 47 HG2 LYS 47 -9.120 -13.507 10.585 366 HD2 LYS 47 HD3 LYS 47 -11.561 -14.442 10.113 367 HD3 LYS 47 HD2 LYS 47 -11.436 -14.963 11.793 368 HE2 LYS 47 HE3 LYS 47 -11.185 -12.746 12.588 369 HE3 LYS 47 HE2 LYS 47 -10.757 -12.130 10.980 370 HZ1 LYS 47 HZ1 LYS 47 -12.976 -11.604 11.068 371 HZ2 LYS 47 HZ2 LYS 47 -13.382 -12.957 12.012 372 HZ3 LYS 47 HZ3 LYS 47 -13.057 -13.141 10.355 373 H TRP 48 H TRP 48 -6.769 -15.727 10.385 374 HA TRP 48 HA TRP 48 -4.837 -16.701 8.330 375 HB2 TRP 48 HB3 TRP 48 -3.305 -16.699 10.302 376 HB3 TRP 48 HB2 TRP 48 -4.069 -15.129 10.059 377 HD1 TRP 48 HD1 TRP 48 -4.849 -18.370 12.035 378 HE1 TRP 48 HE1 TRP 48 -5.862 -17.696 14.306 379 HE3 TRP 48 HE3 TRP 48 -4.901 -13.289 11.508 380 HZ2 TRP 48 HZ2 TRP 48 -6.597 -15.320 15.716 381 HZ3 TRP 48 HZ3 TRP 48 -5.763 -11.847 13.330 382 HH2 TRP 48 HH2 TRP 48 -6.610 -12.855 15.432 383 H THR 49 H THR 49 -7.325 -17.881 10.268 384 HA THR 49 HA THR 49 -6.580 -20.204 11.522 385 HB THR 49 HB THR 49 -8.784 -21.084 10.741 386 HG1 THR 49 HG1 THR 49 -9.904 -19.875 9.215 387 HG21 THR 49 HG21 THR 49 -9.856 -19.626 12.104 388 HG22 THR 49 HG22 THR 49 -9.429 -18.239 11.101 389 HG23 THR 49 HG23 THR 49 -8.276 -18.862 12.281 390 H ARG 50 H ARG 50 -6.821 -19.779 7.986 391 HA ARG 50 HA ARG 50 -4.847 -21.850 7.492 392 HB2 ARG 50 HB3 ARG 50 -7.154 -22.926 8.206 393 HB3 ARG 50 HB2 ARG 50 -7.607 -22.563 6.541 394 HG2 ARG 50 HG3 ARG 50 -5.193 -23.676 6.094 395 HG3 ARG 50 HG2 ARG 50 -5.627 -24.525 7.579 396 HD2 ARG 50 HD3 ARG 50 -7.893 -24.396 5.749 397 HD3 ARG 50 HD2 ARG 50 -6.495 -25.195 5.005 398 HE ARG 50 HE ARG 50 -6.808 -26.091 7.721 399 HH11 ARG 50 HH11 ARG 50 -8.147 -26.332 4.546 400 HH12 ARG 50 HH12 ARG 50 -8.779 -27.925 4.793 401 HH21 ARG 50 HH21 ARG 50 -7.629 -28.169 8.055 402 HH22 ARG 50 HH22 ARG 50 -8.487 -28.963 6.777 403 H ASN 51 H ASN 51 -3.967 -20.232 6.092 404 HA ASN 51 HA ASN 51 -5.164 -20.137 3.411 405 HB2 ASN 51 HB3 ASN 51 -5.174 -17.562 3.552 406 HB3 ASN 51 HB2 ASN 51 -6.464 -18.405 4.409 407 HD21 ASN 51 HD21 ASN 51 -3.736 -16.287 4.805 408 HD22 ASN 51 HD22 ASN 51 -3.792 -16.192 6.499 409 H ARG 52 H ARG 52 -3.716 -18.148 2.258 410 HA ARG 52 HA ARG 52 -0.946 -19.129 2.514 411 HB2 ARG 52 HB3 ARG 52 -2.667 -18.114 0.505 412 HB3 ARG 52 HB2 ARG 52 -1.346 -16.954 0.657 413 HG2 ARG 52 HG3 ARG 52 -0.425 -19.733 0.740 414 HG3 ARG 52 HG2 ARG 52 -1.243 -19.328 -0.770 415 HD2 ARG 52 HD3 ARG 52 0.252 -17.459 -1.158 416 HD3 ARG 52 HD2 ARG 52 0.983 -17.658 0.446 417 HE ARG 52 HE ARG 52 1.214 -20.159 -0.794 418 HH11 ARG 52 HH11 ARG 52 2.198 -16.900 -1.374 419 HH12 ARG 52 HH12 ARG 52 3.639 -17.350 -2.222 420 HH21 ARG 52 HH21 ARG 52 3.088 -20.758 -1.901 421 HH22 ARG 52 HH22 ARG 52 4.142 -19.530 -2.521 422 HA PRO 53 HA PRO 53 -0.000 -15.723 5.243 423 HB2 PRO 53 HB3 PRO 53 2.709 -16.223 5.341 424 HB3 PRO 53 HB2 PRO 53 1.510 -17.080 6.330 425 HG2 PRO 53 HG3 PRO 53 2.873 -17.942 3.838 426 HG3 PRO 53 HG2 PRO 53 2.405 -18.890 5.258 427 HD2 PRO 53 HD3 PRO 53 1.022 -18.926 2.915 428 HD3 PRO 53 HD2 PRO 53 0.269 -19.217 4.499 429 H ILE 54 H ILE 54 1.303 -13.732 5.047 430 HA ILE 54 HA ILE 54 1.583 -12.852 2.272 431 HB ILE 54 HB ILE 54 2.076 -11.567 4.978 432 HG12 ILE 54 HG13 ILE 54 -0.275 -12.151 4.519 433 HG13 ILE 54 HG12 ILE 54 -0.056 -10.401 4.449 434 HG21 ILE 54 HG21 ILE 54 2.205 -10.476 2.161 435 HG22 ILE 54 HG22 ILE 54 3.413 -10.337 3.440 436 HG23 ILE 54 HG23 ILE 54 1.903 -9.432 3.550 437 HD11 ILE 54 HD11 ILE 54 0.509 -11.308 1.855 438 HD12 ILE 54 HD12 ILE 54 -0.943 -10.457 2.384 439 HD13 ILE 54 HD13 ILE 54 -0.913 -12.221 2.360 440 H VAL 55 H VAL 55 3.504 -12.628 1.175 441 HA VAL 55 HA VAL 55 5.971 -13.617 2.505 442 HB VAL 55 HB VAL 55 5.104 -14.527 0.326 443 HG11 VAL 55 HG11 VAL 55 4.527 -13.129 -1.344 444 HG12 VAL 55 HG12 VAL 55 6.121 -12.375 -1.316 445 HG13 VAL 55 HG13 VAL 55 4.845 -11.776 -0.256 446 HG21 VAL 55 HG21 VAL 55 7.497 -14.696 0.921 447 HG22 VAL 55 HG22 VAL 55 7.788 -13.112 0.202 448 HG23 VAL 55 HG23 VAL 55 7.297 -14.466 -0.816 449 H SER 56 H SER 56 7.886 -12.357 2.559 450 HA SER 56 HA SER 56 7.590 -9.472 1.785 451 HB2 SER 56 HB3 SER 56 9.282 -9.446 3.926 452 HB3 SER 56 HB2 SER 56 7.539 -9.229 4.059 453 HG SER 56 HG SER 56 7.746 -10.926 5.313 454 H THR 57 H THR 57 9.541 -8.461 1.068 455 HA THR 57 HA THR 57 11.687 -10.407 0.318 456 HB THR 57 HB THR 57 11.935 -8.198 -1.318 457 HG1 THR 57 HG1 THR 57 9.982 -7.385 -0.422 458 HG21 THR 57 HG21 THR 57 10.951 -10.932 -1.481 459 HG22 THR 57 HG22 THR 57 11.916 -10.017 -2.641 460 HG23 THR 57 HG23 THR 57 10.158 -9.876 -2.651 461 H LYS 58 H LYS 58 13.849 -9.807 0.701 462 HA LYS 58 HA LYS 58 14.327 -7.167 2.026 463 HB2 LYS 58 HB3 LYS 58 15.527 -8.281 3.796 464 HB3 LYS 58 HB2 LYS 58 13.982 -9.115 3.627 465 HG2 LYS 58 HG3 LYS 58 15.459 -10.535 1.861 466 HG3 LYS 58 HG2 LYS 58 16.723 -10.065 2.998 467 HD2 LYS 58 HD3 LYS 58 14.137 -11.495 3.676 468 HD3 LYS 58 HD2 LYS 58 15.758 -12.187 3.713 469 HE2 LYS 58 HE3 LYS 58 15.525 -11.621 5.960 470 HE3 LYS 58 HE2 LYS 58 16.190 -10.094 5.345 471 HZ1 LYS 58 HZ1 LYS 58 13.814 -10.317 6.600 472 HZ2 LYS 58 HZ2 LYS 58 13.341 -10.398 4.970 473 HZ3 LYS 58 HZ3 LYS 58 14.225 -9.062 5.537 474 H LYS 59 H LYS 59 16.042 -6.157 1.062 475 HA LYS 59 HA LYS 59 18.226 -7.814 -0.128 476 HB2 LYS 59 HB3 LYS 59 16.133 -6.502 -1.522 477 HB3 LYS 59 HB2 LYS 59 17.585 -5.535 -1.786 478 HG2 LYS 59 HG3 LYS 59 18.355 -7.058 -3.246 479 HG3 LYS 59 HG2 LYS 59 18.293 -8.303 -1.997 480 HD2 LYS 59 HD3 LYS 59 16.898 -8.866 -3.995 481 HD3 LYS 59 HD2 LYS 59 15.955 -8.762 -2.508 482 HE2 LYS 59 HE3 LYS 59 14.659 -7.158 -3.439 483 HE3 LYS 59 HE2 LYS 59 16.093 -6.144 -3.703 484 HZ1 LYS 59 HZ1 LYS 59 15.076 -8.311 -5.461 485 HZ2 LYS 59 HZ2 LYS 59 16.601 -7.586 -5.651 486 HZ3 LYS 59 HZ3 LYS 59 15.188 -6.660 -5.831 487 H LEU 60 H LEU 60 20.260 -6.825 0.093 488 HA LEU 60 HA LEU 60 20.296 -4.248 1.596 489 HB2 LEU 60 HB3 LEU 60 22.656 -5.007 2.075 490 HB3 LEU 60 HB2 LEU 60 21.417 -6.131 2.634 491 HG LEU 60 HG LEU 60 22.200 -6.648 -0.129 492 HD11 LEU 60 HD11 LEU 60 24.449 -6.743 0.026 493 HD12 LEU 60 HD12 LEU 60 24.364 -7.611 1.559 494 HD13 LEU 60 HD13 LEU 60 24.308 -5.848 1.539 495 HD21 LEU 60 HD21 LEU 60 22.625 -8.935 1.007 496 HD22 LEU 60 HD22 LEU 60 20.976 -8.310 1.034 497 HD23 LEU 60 HD23 LEU 60 21.992 -8.176 2.468 498 H ASP 61 H ASP 61 21.521 -2.480 0.825 499 HA ASP 61 HA ASP 61 22.091 -2.499 -2.082 500 HB2 ASP 61 HB3 ASP 61 20.975 -0.719 -0.298 501 HB3 ASP 61 HB2 ASP 61 22.610 -0.083 -0.475 502 H LYS 62 H LYS 62 24.133 -0.705 -2.319 503 HA LYS 62 HA LYS 62 26.495 -2.248 -1.851 504 HB2 LYS 62 HB3 LYS 62 26.364 -0.636 -3.632 505 HB3 LYS 62 HB2 LYS 62 25.952 0.659 -2.510 506 HG2 LYS 62 HG3 LYS 62 28.401 -0.529 -1.632 507 HG3 LYS 62 HG2 LYS 62 28.548 -0.172 -3.353 508 HD2 LYS 62 HD3 LYS 62 27.546 2.136 -2.769 509 HD3 LYS 62 HD2 LYS 62 27.927 1.731 -1.095 510 HE2 LYS 62 HE3 LYS 62 30.292 1.437 -1.659 511 HE3 LYS 62 HE2 LYS 62 29.940 1.736 -3.374 512 HZ1 LYS 62 HZ1 LYS 62 29.622 3.923 -3.026 513 HZ2 LYS 62 HZ2 LYS 62 30.581 3.671 -1.647 514 HZ3 LYS 62 HZ3 LYS 62 28.887 3.698 -1.514 515 H GLU 63 H GLU 63 24.862 0.219 0.060 516 HA GLU 63 HA GLU 63 27.117 0.611 1.895 517 HB2 GLU 63 HB3 GLU 63 24.209 1.453 1.809 518 HB3 GLU 63 HB2 GLU 63 25.303 1.933 3.107 519 HG2 GLU 63 HG3 GLU 63 25.935 3.659 1.797 520 HG3 GLU 63 HG2 GLU 63 26.730 2.471 0.762 521 H GLY 64 H GLY 64 24.705 -1.758 1.517 522 HA2 GLY 64 HA3 GLY 64 24.586 -3.734 2.895 523 HA3 GLY 64 HA2 GLY 64 25.311 -2.821 4.218 524 H ARG 65 H ARG 65 22.956 -0.934 2.771 525 HA ARG 65 HA ARG 65 21.183 -1.142 5.070 526 HB2 ARG 65 HB3 ARG 65 21.838 0.777 3.286 527 HB3 ARG 65 HB2 ARG 65 20.357 0.186 2.532 528 HG2 ARG 65 HG3 ARG 65 19.267 0.411 4.840 529 HG3 ARG 65 HG2 ARG 65 20.696 1.335 5.307 530 HD2 ARG 65 HD3 ARG 65 20.190 2.689 3.095 531 HD3 ARG 65 HD2 ARG 65 18.551 2.052 3.328 532 HE ARG 65 HE ARG 65 19.199 2.929 5.845 533 HH11 ARG 65 HH11 ARG 65 19.385 4.322 2.689 534 HH12 ARG 65 HH12 ARG 65 19.137 5.941 3.249 535 HH21 ARG 65 HH21 ARG 65 18.866 5.036 6.585 536 HH22 ARG 65 HH22 ARG 65 18.843 6.345 5.451 537 H THR 66 H THR 66 19.628 -2.714 5.267 538 HA THR 66 HA THR 66 18.861 -4.382 2.981 539 HB THR 66 HB THR 66 18.098 -4.208 5.908 540 HG1 THR 66 HG1 THR 66 19.942 -5.232 5.883 541 HG21 THR 66 HG21 THR 66 17.215 -6.649 5.150 542 HG22 THR 66 HG22 THR 66 16.878 -5.738 3.678 543 HG23 THR 66 HG23 THR 66 16.174 -5.227 5.213 544 H HIS 67 H HIS 67 17.039 -4.094 1.736 545 HA HIS 67 HA HIS 67 15.087 -1.988 2.597 546 HB2 HIS 67 HB3 HIS 67 15.927 -3.007 -0.139 547 HB3 HIS 67 HB2 HIS 67 14.713 -1.757 0.136 548 HD1 HIS 67 HD1 HIS 67 17.699 -1.511 -1.228 549 HD2 HIS 67 HD2 HIS 67 16.465 -0.110 2.499 550 HE1 HIS 67 HE1 HIS 67 19.299 0.347 -0.595 551 H HIS 68 H HIS 68 12.845 -2.488 2.371 552 HA HIS 68 HA HIS 68 12.246 -5.398 1.937 553 HB2 HIS 68 HB3 HIS 68 12.046 -4.237 4.248 554 HB3 HIS 68 HB2 HIS 68 10.632 -3.432 3.568 555 HD1 HIS 68 HD1 HIS 68 11.106 -6.030 5.723 556 HD2 HIS 68 HD2 HIS 68 9.178 -5.900 2.030 557 HE1 HIS 68 HE1 HIS 68 9.509 -7.995 5.679 558 H TYR 69 H TYR 69 10.519 -5.900 0.579 559 HA TYR 69 HA TYR 69 9.077 -3.596 -0.695 560 HB2 TYR 69 HB3 TYR 69 9.968 -6.179 -2.014 561 HB3 TYR 69 HB2 TYR 69 9.331 -4.740 -2.811 562 HD1 TYR 69 HD1 TYR 69 10.653 -2.525 -2.481 563 HD2 TYR 69 HD2 TYR 69 12.284 -6.421 -1.703 564 HE1 TYR 69 HE1 TYR 69 12.949 -1.600 -2.643 565 HE2 TYR 69 HE2 TYR 69 14.577 -5.496 -1.866 566 HH TYR 69 HH TYR 69 15.133 -2.124 -2.800 567 H MET 70 H MET 70 6.903 -3.785 -0.312 568 HA MET 70 HA MET 70 5.752 -6.545 -0.064 569 HB2 MET 70 HB3 MET 70 6.143 -4.939 2.021 570 HB3 MET 70 HB2 MET 70 4.645 -4.208 1.446 571 HG2 MET 70 HG3 MET 70 3.385 -6.018 2.025 572 HG3 MET 70 HG2 MET 70 4.639 -7.165 1.552 573 HE1 MET 70 HE1 MET 70 3.859 -8.569 4.027 574 HE2 MET 70 HE2 MET 70 5.496 -8.592 4.680 575 HE3 MET 70 HE3 MET 70 5.251 -8.635 2.936 576 H ARG 71 H ARG 71 4.040 -6.879 -1.419 577 HA ARG 71 HA ARG 71 2.580 -4.485 -2.482 578 HB2 ARG 71 HB3 ARG 71 2.561 -5.646 -4.666 579 HB3 ARG 71 HB2 ARG 71 4.214 -5.389 -4.107 580 HG2 ARG 71 HG3 ARG 71 3.891 -7.780 -3.026 581 HG3 ARG 71 HG2 ARG 71 2.639 -7.938 -4.257 582 HD2 ARG 71 HD3 ARG 71 4.228 -7.536 -6.035 583 HD3 ARG 71 HD2 ARG 71 5.495 -7.106 -4.869 584 HE ARG 71 HE ARG 71 5.779 -9.409 -4.394 585 HH11 ARG 71 HH11 ARG 71 2.841 -8.781 -6.097 586 HH12 ARG 71 HH12 ARG 71 2.473 -10.455 -6.338 587 HH21 ARG 71 HH21 ARG 71 5.308 -11.596 -4.705 588 HH22 ARG 71 HH22 ARG 71 3.865 -12.047 -5.552 589 H PHE 72 H PHE 72 0.351 -4.738 -2.570 590 HA PHE 72 HA PHE 72 -0.843 -7.431 -2.231 591 HB2 PHE 72 HB3 PHE 72 -2.229 -6.252 -0.299 592 HB3 PHE 72 HB2 PHE 72 -0.655 -6.962 0.045 593 HD1 PHE 72 HD1 PHE 72 1.389 -5.484 0.098 594 HD2 PHE 72 HD2 PHE 72 -2.598 -3.898 -0.109 595 HE1 PHE 72 HE1 PHE 72 2.231 -3.272 0.833 596 HE2 PHE 72 HE2 PHE 72 -1.756 -1.685 0.627 597 HZ PHE 72 HZ PHE 72 0.659 -1.371 1.098 598 H HIS 73 H HIS 73 -3.321 -7.216 -2.335 599 HA HIS 73 HA HIS 73 -4.011 -5.020 -4.254 600 HB2 HIS 73 HB3 HIS 73 -4.967 -7.863 -3.846 601 HB3 HIS 73 HB2 HIS 73 -5.810 -6.726 -4.900 602 HD1 HIS 73 HD1 HIS 73 -5.005 -6.694 -7.256 603 HD2 HIS 73 HD2 HIS 73 -2.043 -8.040 -4.650 604 HE1 HIS 73 HE1 HIS 73 -3.020 -7.325 -8.694 605 H VAL 74 H VAL 74 -6.135 -4.059 -4.043 606 HA VAL 74 HA VAL 74 -7.370 -4.389 -1.327 607 HB VAL 74 HB VAL 74 -7.083 -1.892 -3.032 608 HG11 VAL 74 HG11 VAL 74 -7.549 -1.043 -0.500 609 HG12 VAL 74 HG12 VAL 74 -8.467 -2.550 -0.489 610 HG13 VAL 74 HG13 VAL 74 -8.832 -1.302 -1.682 611 HG21 VAL 74 HG21 VAL 74 -5.642 -1.564 -0.675 612 HG22 VAL 74 HG22 VAL 74 -4.953 -1.901 -2.264 613 HG23 VAL 74 HG23 VAL 74 -5.284 -3.225 -1.147 614 H GLU 75 H GLU 75 -9.625 -4.591 -1.326 615 HA GLU 75 HA GLU 75 -10.955 -4.515 -4.015 616 HB2 GLU 75 HB3 GLU 75 -10.636 -6.553 -2.120 617 HB3 GLU 75 HB2 GLU 75 -12.305 -6.019 -1.920 618 HG2 GLU 75 HG3 GLU 75 -12.646 -6.249 -4.374 619 HG3 GLU 75 HG2 GLU 75 -11.001 -6.868 -4.523 620 H SER 76 H SER 76 -12.362 -2.831 -4.198 621 HA SER 76 HA SER 76 -13.600 -1.718 -1.710 622 HB2 SER 76 HB3 SER 76 -13.424 -0.474 -4.464 623 HB3 SER 76 HB2 SER 76 -13.710 0.342 -2.930 624 HG SER 76 HG SER 76 -11.587 0.632 -3.281 625 H LYS 77 H LYS 77 -15.844 -0.589 -2.463 626 HA LYS 77 HA LYS 77 -17.590 -2.789 -3.254 627 HB2 LYS 77 HB3 LYS 77 -17.729 -0.087 -2.119 628 HB3 LYS 77 HB2 LYS 77 -19.073 -0.447 -3.203 629 HG2 LYS 77 HG3 LYS 77 -18.189 -2.122 -0.834 630 HG3 LYS 77 HG2 LYS 77 -19.650 -1.138 -0.927 631 HD2 LYS 77 HD3 LYS 77 -19.741 -2.758 -3.212 632 HD3 LYS 77 HD2 LYS 77 -19.188 -3.828 -1.923 633 HE2 LYS 77 HE3 LYS 77 -21.622 -3.867 -1.930 634 HE3 LYS 77 HE2 LYS 77 -21.108 -2.941 -0.506 635 HZ1 LYS 77 HZ1 LYS 77 -22.632 -1.537 -1.533 636 HZ2 LYS 77 HZ2 LYS 77 -22.104 -1.934 -3.099 637 HZ3 LYS 77 HZ3 LYS 77 -21.143 -0.955 -2.097 638 H LYS 78 H LYS 78 -15.871 -0.345 -4.941 639 HA LYS 78 HA LYS 78 -17.735 -0.495 -7.275 640 HB2 LYS 78 HB3 LYS 78 -15.826 1.464 -6.124 641 HB3 LYS 78 HB2 LYS 78 -15.885 1.403 -7.886 642 HG2 LYS 78 HG3 LYS 78 -17.780 2.612 -7.838 643 HG3 LYS 78 HG2 LYS 78 -18.570 1.292 -6.976 644 HD2 LYS 78 HD3 LYS 78 -16.875 2.742 -5.152 645 HD3 LYS 78 HD2 LYS 78 -17.949 3.871 -5.979 646 HE2 LYS 78 HE3 LYS 78 -19.394 1.463 -5.227 647 HE3 LYS 78 HE2 LYS 78 -18.638 2.224 -3.811 648 HZ1 LYS 78 HZ1 LYS 78 -20.540 3.385 -5.742 649 HZ2 LYS 78 HZ2 LYS 78 -19.456 4.395 -4.912 650 HZ3 LYS 78 HZ3 LYS 78 -20.570 3.447 -4.047 651 H LYS 79 H LYS 79 -14.442 -1.223 -6.217 652 HA LYS 79 HA LYS 79 -14.031 -3.113 -8.363 653 HB2 LYS 79 HB3 LYS 79 -13.730 -0.395 -9.008 654 HB3 LYS 79 HB2 LYS 79 -12.084 -1.007 -8.830 655 HG2 LYS 79 HG3 LYS 79 -12.634 -2.881 -10.363 656 HG3 LYS 79 HG2 LYS 79 -14.251 -2.207 -10.580 657 HD2 LYS 79 HD3 LYS 79 -11.846 -0.474 -11.070 658 HD3 LYS 79 HD2 LYS 79 -12.368 -1.614 -12.312 659 HE2 LYS 79 HE3 LYS 79 -14.689 -0.248 -11.307 660 HE3 LYS 79 HE2 LYS 79 -13.466 0.954 -11.769 661 HZ1 LYS 79 HZ1 LYS 79 -13.839 -1.375 -13.504 662 HZ2 LYS 79 HZ2 LYS 79 -13.398 0.216 -13.908 663 HZ3 LYS 79 HZ3 LYS 79 -15.019 -0.157 -13.563 664 H ILE 80 H ILE 80 -11.354 -3.285 -8.563 665 HA ILE 80 HA ILE 80 -10.399 -3.459 -5.722 666 HB ILE 80 HB ILE 80 -9.552 -5.114 -8.116 667 HG12 ILE 80 HG13 ILE 80 -11.140 -6.686 -6.424 668 HG13 ILE 80 HG12 ILE 80 -12.026 -5.168 -6.581 669 HG21 ILE 80 HG21 ILE 80 -9.383 -5.640 -5.134 670 HG22 ILE 80 HG22 ILE 80 -8.048 -5.043 -6.119 671 HG23 ILE 80 HG23 ILE 80 -8.715 -6.648 -6.417 672 HD11 ILE 80 HD11 ILE 80 -12.770 -6.468 -8.416 673 HD12 ILE 80 HD12 ILE 80 -11.143 -7.051 -8.767 674 HD13 ILE 80 HD13 ILE 80 -11.572 -5.376 -9.112 675 H ALA 81 H ALA 81 -8.348 -2.608 -5.280 676 HA ALA 81 HA ALA 81 -6.945 -1.277 -7.577 677 HB1 ALA 81 HB1 ALA 81 -6.231 -0.130 -5.076 678 HB2 ALA 81 HB2 ALA 81 -7.980 -0.353 -5.054 679 HB3 ALA 81 HB3 ALA 81 -7.228 0.590 -6.341 680 H LEU 82 H LEU 82 -4.590 -1.213 -7.412 681 HA LEU 82 HA LEU 82 -3.474 -3.465 -5.773 682 HB2 LEU 82 HB3 LEU 82 -3.272 -3.923 -8.104 683 HB3 LEU 82 HB2 LEU 82 -2.812 -2.259 -8.467 684 HG LEU 82 HG LEU 82 -0.696 -2.560 -7.254 685 HD11 LEU 82 HD11 LEU 82 -1.732 -5.378 -6.825 686 HD12 LEU 82 HD12 LEU 82 -1.434 -4.170 -5.576 687 HD13 LEU 82 HD13 LEU 82 -0.083 -4.855 -6.480 688 HD21 LEU 82 HD21 LEU 82 -0.614 -4.993 -8.908 689 HD22 LEU 82 HD22 LEU 82 0.289 -3.488 -9.080 690 HD23 LEU 82 HD23 LEU 82 -1.350 -3.610 -9.719 691 H VAL 83 H VAL 83 -2.012 -2.865 -4.209 692 HA VAL 83 HA VAL 83 -0.919 -0.076 -4.332 693 HB VAL 83 HB VAL 83 -1.470 -1.961 -2.020 694 HG11 VAL 83 HG11 VAL 83 -1.110 0.348 -0.790 695 HG12 VAL 83 HG12 VAL 83 -0.152 0.729 -2.222 696 HG13 VAL 83 HG13 VAL 83 0.280 -0.652 -1.213 697 HG21 VAL 83 HG21 VAL 83 -3.487 -1.003 -3.111 698 HG22 VAL 83 HG22 VAL 83 -2.823 0.616 -2.887 699 HG23 VAL 83 HG23 VAL 83 -3.259 -0.360 -1.484 700 H HIS 84 H HIS 84 1.243 0.097 -4.621 701 HA HIS 84 HA HIS 84 2.996 -2.228 -3.886 702 HB2 HIS 84 HB3 HIS 84 2.429 -1.398 -6.393 703 HB3 HIS 84 HB2 HIS 84 3.761 -0.301 -6.032 704 HD1 HIS 84 HD1 HIS 84 6.064 -1.237 -6.302 705 HD2 HIS 84 HD2 HIS 84 3.208 -4.251 -5.929 706 HE1 HIS 84 HE1 HIS 84 7.284 -3.428 -6.654 707 H LEU 85 H LEU 85 4.628 -1.647 -2.443 708 HA LEU 85 HA LEU 85 5.419 1.233 -2.317 709 HB2 LEU 85 HB3 LEU 85 5.016 1.272 0.052 710 HB3 LEU 85 HB2 LEU 85 3.571 0.589 -0.695 711 HG LEU 85 HG LEU 85 4.987 -1.679 -0.323 712 HD11 LEU 85 HD11 LEU 85 5.590 -0.697 2.320 713 HD12 LEU 85 HD12 LEU 85 6.440 0.277 1.120 714 HD13 LEU 85 HD13 LEU 85 6.668 -1.471 1.159 715 HD21 LEU 85 HD21 LEU 85 2.735 -1.461 0.457 716 HD22 LEU 85 HD22 LEU 85 3.182 -0.196 1.603 717 HD23 LEU 85 HD23 LEU 85 3.697 -1.860 1.880 718 H GLU 86 H GLU 86 7.499 1.588 -1.404 719 HA GLU 86 HA GLU 86 9.206 -0.862 -1.088 720 HB2 GLU 86 HB3 GLU 86 9.323 0.799 -3.165 721 HB3 GLU 86 HB2 GLU 86 10.254 1.786 -2.038 722 HG2 GLU 86 HG3 GLU 86 11.456 -0.572 -1.598 723 HG3 GLU 86 HG2 GLU 86 10.931 -0.845 -3.260 724 H ALA 87 H ALA 87 10.420 -0.887 0.818 725 HA ALA 87 HA ALA 87 10.547 1.666 2.388 726 HB1 ALA 87 HB1 ALA 87 8.946 -0.510 2.916 727 HB2 ALA 87 HB2 ALA 87 9.483 0.654 4.128 728 HB3 ALA 87 HB3 ALA 87 10.367 -0.855 3.902 729 H LYS 88 H LYS 88 12.390 1.840 3.792 730 HA LYS 88 HA LYS 88 14.553 -0.189 3.376 731 HB2 LYS 88 HB3 LYS 88 16.077 1.869 3.242 732 HB3 LYS 88 HB2 LYS 88 15.021 1.604 1.854 733 HG2 LYS 88 HG3 LYS 88 13.658 3.394 2.372 734 HG3 LYS 88 HG2 LYS 88 13.972 3.268 4.102 735 HD2 LYS 88 HD3 LYS 88 16.418 3.862 2.666 736 HD3 LYS 88 HD2 LYS 88 15.176 5.061 2.300 737 HE2 LYS 88 HE3 LYS 88 14.789 4.967 4.937 738 HE3 LYS 88 HE2 LYS 88 16.483 4.436 4.921 739 HZ1 LYS 88 HZ1 LYS 88 16.622 6.753 4.909 740 HZ2 LYS 88 HZ2 LYS 88 15.327 6.928 3.824 741 HZ3 LYS 88 HZ3 LYS 88 16.824 6.337 3.278 742 H GLU 89 H GLU 89 15.860 -0.502 5.226 743 HA GLU 89 HA GLU 89 14.773 0.536 7.761 744 HB2 GLU 89 HB3 GLU 89 16.230 -1.138 8.722 745 HB3 GLU 89 HB2 GLU 89 15.499 -1.845 7.281 746 HG2 GLU 89 HG3 GLU 89 17.718 -2.389 6.907 747 HG3 GLU 89 HG2 GLU 89 17.652 -0.818 6.107 748 H SER 90 H SER 90 15.808 2.047 9.077 749 HA SER 90 HA SER 90 18.263 3.330 7.940 750 HB2 SER 90 HB3 SER 90 15.792 4.346 8.593 751 HB3 SER 90 HB2 SER 90 16.720 4.699 10.049 752 HG SER 90 HG SER 90 18.020 5.984 8.925 753 H LYS 91 H LYS 91 19.993 3.831 9.363 754 HA LYS 91 HA LYS 91 21.412 3.554 11.219 755 HB2 LYS 91 HB3 LYS 91 18.936 4.282 12.136 756 HB3 LYS 91 HB2 LYS 91 19.202 2.782 13.021 757 HG2 LYS 91 HG3 LYS 91 21.621 4.359 12.995 758 HG3 LYS 91 HG2 LYS 91 20.277 5.310 13.627 759 HD2 LYS 91 HD3 LYS 91 20.674 4.244 15.587 760 HD3 LYS 91 HD2 LYS 91 19.886 2.858 14.830 761 HE2 LYS 91 HE3 LYS 91 21.829 1.699 14.852 762 HE3 LYS 91 HE2 LYS 91 22.653 3.008 13.979 763 HZ1 LYS 91 HZ1 LYS 91 21.954 3.464 16.782 764 HZ2 LYS 91 HZ2 LYS 91 23.287 4.029 15.893 765 HZ3 LYS 91 HZ3 LYS 91 23.261 2.430 16.468 766 H GLN 92 H GLN 92 18.938 1.198 12.272 767 HA GLN 92 HA GLN 92 20.008 -1.177 11.208 768 HB2 GLN 92 HB3 GLN 92 22.134 -0.712 12.130 769 HB3 GLN 92 HB2 GLN 92 21.445 -0.050 13.612 770 HG2 GLN 92 HG3 GLN 92 20.880 -2.200 14.438 771 HG3 GLN 92 HG2 GLN 92 21.077 -2.949 12.852 772 HE21 GLN 92 HE21 GLN 92 22.857 -4.335 13.113 773 HE22 GLN 92 HE22 GLN 92 24.362 -3.856 13.737 774 H ASN 93 H ASN 93 18.383 -2.605 11.662 775 HA ASN 93 HA ASN 93 16.544 -3.599 12.768 776 HB2 ASN 93 HB3 ASN 93 18.534 -4.281 14.114 777 HB3 ASN 93 HB2 ASN 93 18.290 -2.867 15.141 778 HD21 ASN 93 HD21 ASN 93 16.917 -3.162 16.911 779 HD22 ASN 93 HD22 ASN 93 15.823 -4.449 17.084 780 H TYR 94 H TYR 94 15.947 -0.954 12.124 781 HA TYR 94 HA TYR 94 14.519 -0.001 14.589 782 HB2 TYR 94 HB3 TYR 94 16.558 1.260 13.252 783 HB3 TYR 94 HB2 TYR 94 15.144 1.948 12.454 784 HD1 TYR 94 HD1 TYR 94 16.175 1.004 15.945 785 HD2 TYR 94 HD2 TYR 94 14.300 3.902 13.388 786 HE1 TYR 94 HE1 TYR 94 15.785 2.478 17.902 787 HE2 TYR 94 HE2 TYR 94 13.911 5.376 15.345 788 HH TYR 94 HH TYR 94 14.148 5.629 17.531 789 H GLN 95 H GLN 95 12.922 1.919 13.353 790 HA GLN 95 HA GLN 95 10.844 0.297 12.162 791 HB2 GLN 95 HB3 GLN 95 9.683 2.456 12.036 792 HB3 GLN 95 HB2 GLN 95 10.529 2.328 13.578 793 HG2 GLN 95 HG3 GLN 95 12.430 3.422 11.849 794 HG3 GLN 95 HG2 GLN 95 10.927 4.238 11.415 795 HE21 GLN 95 HE21 GLN 95 12.561 5.993 12.540 796 HE22 GLN 95 HE22 GLN 95 12.236 6.257 14.185 797 HA PRO 96 HA PRO 96 12.213 0.399 7.971 798 HB2 PRO 96 HB3 PRO 96 9.730 -0.012 6.804 799 HB3 PRO 96 HB2 PRO 96 10.754 -1.301 7.465 800 HG2 PRO 96 HG3 PRO 96 8.389 0.038 8.659 801 HG3 PRO 96 HG2 PRO 96 8.919 -1.647 8.783 802 HD2 PRO 96 HD3 PRO 96 9.255 0.158 10.780 803 HD3 PRO 96 HD2 PRO 96 10.362 -1.207 10.510 804 H ASP 97 H ASP 97 12.241 1.931 6.271 805 HA ASP 97 HA ASP 97 10.536 4.364 6.701 806 HB2 ASP 97 HB3 ASP 97 13.366 3.883 5.770 807 HB3 ASP 97 HB2 ASP 97 12.545 5.402 5.410 808 H PHE 98 H PHE 98 8.984 4.537 5.133 809 HA PHE 98 HA PHE 98 9.166 3.054 2.617 810 HB2 PHE 98 HB3 PHE 98 7.207 5.144 3.625 811 HB3 PHE 98 HB2 PHE 98 6.932 4.036 2.281 812 HD1 PHE 98 HD1 PHE 98 6.799 4.473 5.859 813 HD2 PHE 98 HD2 PHE 98 6.978 1.527 2.739 814 HE1 PHE 98 HE1 PHE 98 5.998 2.744 7.447 815 HE2 PHE 98 HE2 PHE 98 6.178 -0.203 4.326 816 HZ PHE 98 HZ PHE 98 5.688 0.405 6.680 817 H ILE 99 H ILE 99 9.785 3.887 0.638 818 HA ILE 99 HA ILE 99 10.427 6.819 0.522 819 HB ILE 99 HB ILE 99 11.863 5.369 -1.465 820 HG12 ILE 99 HG13 ILE 99 12.039 4.094 1.289 821 HG13 ILE 99 HG12 ILE 99 11.494 3.305 -0.192 822 HG21 ILE 99 HG21 ILE 99 12.357 7.053 0.892 823 HG22 ILE 99 HG22 ILE 99 13.100 7.102 -0.707 824 HG23 ILE 99 HG23 ILE 99 13.682 5.957 0.502 825 HD11 ILE 99 HD11 ILE 99 14.267 4.426 0.314 826 HD12 ILE 99 HD12 ILE 99 13.727 3.709 -1.204 827 HD13 ILE 99 HD13 ILE 99 13.832 2.718 0.251 828 H ASN 100 H ASN 100 8.876 4.097 -0.999 829 HA ASN 100 HA ASN 100 7.756 5.946 -3.068 830 HB2 ASN 100 HB3 ASN 100 8.858 3.144 -3.477 831 HB3 ASN 100 HB2 ASN 100 8.115 4.139 -4.729 832 HD21 ASN 100 HD21 ASN 100 9.219 6.431 -4.940 833 HD22 ASN 100 HD22 ASN 100 10.913 6.448 -4.837 834 H MET 101 H MET 101 5.551 5.785 -3.117 835 HA MET 101 HA MET 101 4.239 3.202 -2.452 836 HB2 MET 101 HB3 MET 101 4.643 5.261 -0.589 837 HB3 MET 101 HB2 MET 101 2.965 5.447 -1.101 838 HG2 MET 101 HG3 MET 101 3.526 2.652 -0.737 839 HG3 MET 101 HG2 MET 101 4.019 3.532 0.710 840 HE1 MET 101 HE1 MET 101 0.506 1.720 0.938 841 HE2 MET 101 HE2 MET 101 2.097 1.370 0.268 842 HE3 MET 101 HE3 MET 101 0.772 1.810 -0.809 843 H TYR 102 H TYR 102 2.897 2.940 -4.210 844 HA TYR 102 HA TYR 102 1.119 5.203 -4.963 845 HB2 TYR 102 HB3 TYR 102 1.753 4.908 -7.341 846 HB3 TYR 102 HB2 TYR 102 3.145 5.363 -6.359 847 HD1 TYR 102 HD1 TYR 102 1.383 2.416 -7.828 848 HD2 TYR 102 HD2 TYR 102 5.060 3.984 -6.258 849 HE1 TYR 102 HE1 TYR 102 2.569 0.363 -8.556 850 HE2 TYR 102 HE2 TYR 102 6.246 1.932 -6.985 851 HH TYR 102 HH TYR 102 5.003 -0.231 -9.167 852 H VAL 103 H VAL 103 -0.677 4.424 -6.396 853 HA VAL 103 HA VAL 103 -1.174 1.481 -6.083 854 HB VAL 103 HB VAL 103 -3.143 3.772 -5.789 855 HG11 VAL 103 HG11 VAL 103 -4.724 2.139 -5.140 856 HG12 VAL 103 HG12 VAL 103 -3.483 0.913 -4.882 857 HG13 VAL 103 HG13 VAL 103 -3.910 1.406 -6.521 858 HG21 VAL 103 HG21 VAL 103 -2.086 4.039 -3.789 859 HG22 VAL 103 HG22 VAL 103 -1.269 2.480 -3.908 860 HG23 VAL 103 HG23 VAL 103 -2.935 2.561 -3.333 861 H ASP 104 H ASP 104 -2.685 0.608 -7.694 862 HA ASP 104 HA ASP 104 -2.857 2.260 -10.194 863 HB2 ASP 104 HB3 ASP 104 -1.118 0.546 -10.339 864 HB3 ASP 104 HB2 ASP 104 -2.251 -0.688 -9.788 865 H VAL 105 H VAL 105 -5.008 2.651 -10.584 866 HA VAL 105 HA VAL 105 -6.985 0.555 -9.768 867 HB VAL 105 HB VAL 105 -8.547 2.642 -9.980 868 HG11 VAL 105 HG11 VAL 105 -7.989 1.563 -7.860 869 HG12 VAL 105 HG12 VAL 105 -7.933 3.316 -7.667 870 HG13 VAL 105 HG13 VAL 105 -6.436 2.398 -7.818 871 HG21 VAL 105 HG21 VAL 105 -5.946 4.088 -9.468 872 HG22 VAL 105 HG22 VAL 105 -7.524 4.771 -9.859 873 HG23 VAL 105 HG23 VAL 105 -6.596 3.931 -11.100 874 HA PRO 106 HA PRO 106 -7.653 -0.088 -14.095 875 HB2 PRO 106 HB3 PRO 106 -10.230 -1.268 -13.336 876 HB3 PRO 106 HB2 PRO 106 -8.812 -2.054 -14.051 877 HG2 PRO 106 HG3 PRO 106 -9.623 -2.442 -11.486 878 HG3 PRO 106 HG2 PRO 106 -7.952 -2.626 -12.034 879 HD2 PRO 106 HD3 PRO 106 -9.196 -0.443 -10.466 880 HD3 PRO 106 HD2 PRO 106 -7.529 -1.060 -10.443 881 H GLY 107 H GLY 107 -8.585 1.309 -15.570 882 HA2 GLY 107 HA3 GLY 107 -10.324 2.631 -16.531 883 HA3 GLY 107 HA2 GLY 107 -11.258 2.432 -15.048 884 H GLU 108 H GLU 108 -8.651 3.221 -13.565 885 HA GLU 108 HA GLU 108 -9.002 6.176 -13.956 886 HB2 GLU 108 HB3 GLU 108 -8.792 4.352 -11.596 887 HB3 GLU 108 HB2 GLU 108 -8.118 5.976 -11.437 888 HG2 GLU 108 HG3 GLU 108 -10.168 6.926 -11.353 889 HG3 GLU 108 HG2 GLU 108 -10.747 5.975 -12.722 890 H LYS 109 H LYS 109 -6.999 7.429 -13.209 891 HA LYS 109 HA LYS 109 -4.612 6.278 -14.490 892 HB2 LYS 109 HB3 LYS 109 -5.537 8.914 -13.395 893 HB3 LYS 109 HB2 LYS 109 -3.810 8.667 -13.658 894 HG2 LYS 109 HG3 LYS 109 -5.266 7.683 -15.938 895 HG3 LYS 109 HG2 LYS 109 -5.769 9.338 -15.593 896 HD2 LYS 109 HD3 LYS 109 -3.711 10.210 -16.079 897 HD3 LYS 109 HD2 LYS 109 -2.853 8.811 -15.433 898 HE2 LYS 109 HE3 LYS 109 -3.282 7.523 -17.427 899 HE3 LYS 109 HE2 LYS 109 -4.397 8.757 -18.048 900 HZ1 LYS 109 HZ1 LYS 109 -2.717 10.169 -18.549 901 HZ2 LYS 109 HZ2 LYS 109 -1.829 8.727 -18.683 902 HZ3 LYS 109 HZ3 LYS 109 -1.737 9.655 -17.264 903 H ARG 110 H ARG 110 -2.707 5.704 -13.394 904 HA ARG 110 HA ARG 110 -2.802 4.712 -10.754 905 HB2 ARG 110 HB3 ARG 110 -0.650 5.571 -12.675 906 HB3 ARG 110 HB2 ARG 110 -0.208 5.027 -11.056 907 HG2 ARG 110 HG3 ARG 110 -1.058 2.867 -11.411 908 HG3 ARG 110 HG2 ARG 110 -2.084 3.389 -12.748 909 HD2 ARG 110 HD3 ARG 110 0.281 4.025 -13.833 910 HD3 ARG 110 HD2 ARG 110 0.833 2.731 -12.750 911 HE ARG 110 HE ARG 110 -1.570 1.893 -14.066 912 HH11 ARG 110 HH11 ARG 110 1.780 2.532 -14.615 913 HH12 ARG 110 HH12 ARG 110 1.914 1.401 -15.920 914 HH21 ARG 110 HH21 ARG 110 -1.408 0.424 -15.774 915 HH22 ARG 110 HH22 ARG 110 0.112 0.210 -16.575 916 H TYR 111 H TYR 111 -2.411 5.646 -8.751 917 HA TYR 111 HA TYR 111 -1.747 8.574 -8.722 918 HB2 TYR 111 HB3 TYR 111 -4.129 7.550 -8.127 919 HB3 TYR 111 HB2 TYR 111 -3.352 7.236 -6.575 920 HD1 TYR 111 HD1 TYR 111 -5.495 9.437 -7.912 921 HD2 TYR 111 HD2 TYR 111 -1.574 9.464 -6.158 922 HE1 TYR 111 HE1 TYR 111 -5.795 11.816 -7.278 923 HE2 TYR 111 HE2 TYR 111 -1.874 11.843 -5.525 924 HH TYR 111 HH TYR 111 -4.910 13.569 -6.250 925 H TYR 112 H TYR 112 0.113 9.016 -7.616 926 HA TYR 112 HA TYR 112 1.417 6.911 -6.013 927 HB2 TYR 112 HB3 TYR 112 2.082 9.647 -7.080 928 HB3 TYR 112 HB2 TYR 112 3.117 8.907 -5.859 929 HD1 TYR 112 HD1 TYR 112 1.624 8.376 -9.233 930 HD2 TYR 112 HD2 TYR 112 4.651 7.188 -6.427 931 HE1 TYR 112 HE1 TYR 112 2.708 7.000 -10.986 932 HE2 TYR 112 HE2 TYR 112 5.736 5.811 -8.181 933 HH TYR 112 HH TYR 112 4.300 4.832 -10.899 934 H LEU 113 H LEU 113 1.715 7.030 -3.760 935 HA LEU 113 HA LEU 113 0.043 9.055 -2.341 936 HB2 LEU 113 HB3 LEU 113 0.535 6.246 -2.140 937 HB3 LEU 113 HB2 LEU 113 1.108 6.999 -0.651 938 HG LEU 113 HG LEU 113 -1.246 8.318 -0.991 939 HD11 LEU 113 HD11 LEU 113 -2.751 6.119 -1.436 940 HD12 LEU 113 HD12 LEU 113 -1.385 5.754 -2.490 941 HD13 LEU 113 HD13 LEU 113 -2.303 7.243 -2.720 942 HD21 LEU 113 HD21 LEU 113 -0.170 6.699 0.879 943 HD22 LEU 113 HD22 LEU 113 -1.449 5.636 0.290 944 HD23 LEU 113 HD23 LEU 113 -1.854 7.225 0.940 945 H ILE 114 H ILE 114 3.340 7.821 -2.616 946 HA ILE 114 HA ILE 114 4.239 9.966 -0.716 947 HB ILE 114 HB ILE 114 5.190 7.147 -1.262 948 HG12 ILE 114 HG13 ILE 114 4.338 8.652 1.233 949 HG13 ILE 114 HG12 ILE 114 3.413 7.399 0.403 950 HG21 ILE 114 HG21 ILE 114 6.984 7.798 0.493 951 HG22 ILE 114 HG22 ILE 114 6.633 9.462 0.026 952 HG23 ILE 114 HG23 ILE 114 7.238 8.318 -1.173 953 HD11 ILE 114 HD11 ILE 114 5.688 6.030 0.778 954 HD12 ILE 114 HD12 ILE 114 4.418 6.081 2.000 955 HD13 ILE 114 HD13 ILE 114 5.821 7.139 2.142 956 H LYS 115 H LYS 115 6.130 7.884 -2.882 957 HA LYS 115 HA LYS 115 7.622 8.449 -4.628 958 HB2 LYS 115 HB3 LYS 115 5.216 9.282 -5.317 959 HB3 LYS 115 HB2 LYS 115 5.916 10.883 -5.077 960 HG2 LYS 115 HG3 LYS 115 7.605 9.023 -6.631 961 HG3 LYS 115 HG2 LYS 115 6.090 9.474 -7.414 962 HD2 LYS 115 HD3 LYS 115 7.028 11.874 -6.358 963 HD3 LYS 115 HD2 LYS 115 8.484 11.080 -6.959 964 HE2 LYS 115 HE3 LYS 115 6.334 10.739 -8.867 965 HE3 LYS 115 HE2 LYS 115 6.568 12.461 -8.505 966 HZ1 LYS 115 HZ1 LYS 115 8.546 10.496 -9.480 967 HZ2 LYS 115 HZ2 LYS 115 9.047 11.889 -8.647 968 HZ3 LYS 115 HZ3 LYS 115 8.182 12.032 -10.102 Start of MODEL 2 1 H1 GLY 1 H GLY 1 6.126 -12.520 9.787 2 HA2 GLY 1 HA3 GLY 1 5.994 -13.703 12.337 3 HA3 GLY 1 HA2 GLY 1 7.169 -12.392 12.462 4 H SER 2 H SER 2 6.390 -10.217 11.668 5 HA SER 2 HA SER 2 3.489 -9.880 12.348 6 HB2 SER 2 HB3 SER 2 4.137 -8.054 13.577 7 HB3 SER 2 HB2 SER 2 5.694 -8.876 13.579 8 HG SER 2 HG SER 2 4.831 -6.640 12.165 9 H ASP 3 H ASP 3 4.843 -10.394 9.636 10 HA ASP 3 HA ASP 3 4.884 -8.061 8.030 11 HB2 ASP 3 HB3 ASP 3 3.970 -10.879 7.359 12 HB3 ASP 3 HB2 ASP 3 4.527 -9.676 6.195 13 H THR 4 H THR 4 2.167 -10.066 9.112 14 HA THR 4 HA THR 4 0.102 -9.116 7.446 15 HB THR 4 HB THR 4 0.205 -9.936 10.361 16 HG1 THR 4 HG1 THR 4 0.070 -11.857 9.543 17 HG21 THR 4 HG21 THR 4 -2.278 -9.768 8.645 18 HG22 THR 4 HG22 THR 4 -1.798 -8.480 9.750 19 HG23 THR 4 HG23 THR 4 -2.178 -10.083 10.378 20 H GLN 5 H GLN 5 1.214 -7.762 10.572 21 HA GLN 5 HA GLN 5 -0.591 -5.533 10.598 22 HB2 GLN 5 HB3 GLN 5 2.102 -6.129 11.850 23 HB3 GLN 5 HB2 GLN 5 1.181 -4.674 12.235 24 HG2 GLN 5 HG3 GLN 5 -0.468 -5.841 13.348 25 HG3 GLN 5 HG2 GLN 5 -0.252 -7.290 12.365 26 HE21 GLN 5 HE21 GLN 5 0.088 -8.763 14.129 27 HE22 GLN 5 HE22 GLN 5 1.440 -8.670 15.151 28 H LEU 6 H LEU 6 2.612 -6.015 9.168 29 HA LEU 6 HA LEU 6 3.300 -3.324 8.587 30 HB2 LEU 6 HB3 LEU 6 4.034 -6.035 7.828 31 HB3 LEU 6 HB2 LEU 6 4.165 -4.937 6.453 32 HG LEU 6 HG LEU 6 5.230 -3.505 8.616 33 HD11 LEU 6 HD11 LEU 6 6.980 -5.052 9.464 34 HD12 LEU 6 HD12 LEU 6 6.211 -6.377 8.591 35 HD13 LEU 6 HD13 LEU 6 5.361 -5.584 9.916 36 HD21 LEU 6 HD21 LEU 6 6.008 -3.473 6.270 37 HD22 LEU 6 HD22 LEU 6 6.633 -5.111 6.454 38 HD23 LEU 6 HD23 LEU 6 7.350 -3.786 7.371 39 H PHE 7 H PHE 7 1.304 -5.643 6.758 40 HA PHE 7 HA PHE 7 0.825 -3.800 4.550 41 HB2 PHE 7 HB3 PHE 7 0.377 -5.844 3.683 42 HB3 PHE 7 HB2 PHE 7 0.403 -6.561 5.289 43 HD1 PHE 7 HD1 PHE 7 -1.514 -7.748 5.847 44 HD2 PHE 7 HD2 PHE 7 -1.871 -4.262 3.362 45 HE1 PHE 7 HE1 PHE 7 -3.969 -8.078 5.738 46 HE2 PHE 7 HE2 PHE 7 -4.326 -4.592 3.255 47 HZ PHE 7 HZ PHE 7 -5.376 -6.499 4.441 48 H ASN 8 H ASN 8 -0.869 -4.708 7.528 49 HA ASN 8 HA ASN 8 -3.406 -3.549 7.013 50 HB2 ASN 8 HB3 ASN 8 -1.726 -4.312 9.340 51 HB3 ASN 8 HB2 ASN 8 -3.050 -3.197 9.682 52 HD21 ASN 8 HD21 ASN 8 -2.631 -6.259 10.169 53 HD22 ASN 8 HD22 ASN 8 -4.074 -6.941 9.590 54 H ARG 9 H ARG 9 -0.556 -2.061 8.618 55 HA ARG 9 HA ARG 9 -1.737 0.532 8.941 56 HB2 ARG 9 HB3 ARG 9 0.622 1.194 9.323 57 HB3 ARG 9 HB2 ARG 9 0.232 -0.309 10.159 58 HG2 ARG 9 HG3 ARG 9 1.258 -1.615 8.369 59 HG3 ARG 9 HG2 ARG 9 1.573 -0.147 7.446 60 HD2 ARG 9 HD3 ARG 9 2.695 -0.623 10.226 61 HD3 ARG 9 HD2 ARG 9 3.580 -0.979 8.734 62 HE ARG 9 HE ARG 9 3.652 1.364 8.229 63 HH11 ARG 9 HH11 ARG 9 1.790 0.648 11.071 64 HH12 ARG 9 HH12 ARG 9 1.764 2.290 11.609 65 HH21 ARG 9 HH21 ARG 9 3.621 3.494 8.950 66 HH22 ARG 9 HH22 ARG 9 2.790 3.893 10.417 67 H ALA 10 H ALA 10 0.225 -0.882 6.323 68 HA ALA 10 HA ALA 10 0.525 1.538 4.799 69 HB1 ALA 10 HB1 ALA 10 1.914 -0.472 4.539 70 HB2 ALA 10 HB2 ALA 10 1.127 -0.087 3.007 71 HB3 ALA 10 HB3 ALA 10 0.506 -1.395 4.014 72 H VAL 11 H VAL 11 -1.899 -1.083 4.728 73 HA VAL 11 HA VAL 11 -3.364 0.026 2.490 74 HB VAL 11 HB VAL 11 -3.183 -2.363 3.817 75 HG11 VAL 11 HG11 VAL 11 -5.378 -2.853 4.806 76 HG12 VAL 11 HG12 VAL 11 -5.884 -1.184 4.542 77 HG13 VAL 11 HG13 VAL 11 -4.592 -1.542 5.687 78 HG21 VAL 11 HG21 VAL 11 -4.445 -1.295 1.567 79 HG22 VAL 11 HG22 VAL 11 -5.720 -2.158 2.425 80 HG23 VAL 11 HG23 VAL 11 -4.248 -3.005 1.948 81 H SER 12 H SER 12 -3.630 0.259 6.027 82 HA SER 12 HA SER 12 -6.159 1.458 6.292 83 HB2 SER 12 HB3 SER 12 -3.920 0.906 7.852 84 HB3 SER 12 HB2 SER 12 -4.073 2.657 7.961 85 HG SER 12 HG SER 12 -6.233 2.358 8.597 86 H MET 13 H MET 13 -3.021 3.135 5.839 87 HA MET 13 HA MET 13 -4.195 5.757 5.560 88 HB2 MET 13 HB3 MET 13 -1.912 6.333 4.793 89 HB3 MET 13 HB2 MET 13 -1.853 5.294 6.217 90 HG2 MET 13 HG3 MET 13 -1.683 3.328 4.577 91 HG3 MET 13 HG2 MET 13 -1.352 4.535 3.336 92 HE1 MET 13 HE1 MET 13 1.285 4.912 2.752 93 HE2 MET 13 HE2 MET 13 0.565 3.305 2.801 94 HE3 MET 13 HE3 MET 13 2.163 3.568 3.495 95 H VAL 14 H VAL 14 -3.471 3.146 3.304 96 HA VAL 14 HA VAL 14 -3.737 4.688 0.875 97 HB VAL 14 HB VAL 14 -3.919 1.766 1.636 98 HG11 VAL 14 HG11 VAL 14 -4.587 3.114 -0.929 99 HG12 VAL 14 HG12 VAL 14 -5.150 1.570 -0.289 100 HG13 VAL 14 HG13 VAL 14 -3.560 1.685 -1.044 101 HG21 VAL 14 HG21 VAL 14 -1.778 3.475 1.336 102 HG22 VAL 14 HG22 VAL 14 -1.886 2.736 -0.262 103 HG23 VAL 14 HG23 VAL 14 -1.695 1.722 1.168 104 H GLU 15 H GLU 15 -6.011 2.514 2.605 105 HA GLU 15 HA GLU 15 -8.225 2.973 0.830 106 HB2 GLU 15 HB3 GLU 15 -9.489 1.882 2.636 107 HB3 GLU 15 HB2 GLU 15 -7.946 1.061 2.394 108 HG2 GLU 15 HG3 GLU 15 -6.974 2.353 4.269 109 HG3 GLU 15 HG2 GLU 15 -8.534 3.137 4.526 110 H LYS 16 H LYS 16 -6.942 4.790 3.544 111 HA LYS 16 HA LYS 16 -9.388 6.491 3.652 112 HB2 LYS 16 HB3 LYS 16 -8.400 7.316 5.708 113 HB3 LYS 16 HB2 LYS 16 -8.235 5.560 5.705 114 HG2 LYS 16 HG3 LYS 16 -6.020 5.840 5.997 115 HG3 LYS 16 HG2 LYS 16 -5.954 6.525 4.374 116 HD2 LYS 16 HD3 LYS 16 -5.454 8.540 5.235 117 HD3 LYS 16 HD2 LYS 16 -6.969 8.531 6.141 118 HE2 LYS 16 HE3 LYS 16 -5.817 8.250 8.068 119 HE3 LYS 16 HE2 LYS 16 -5.108 6.752 7.434 120 HZ1 LYS 16 HZ1 LYS 16 -3.640 8.887 7.923 121 HZ2 LYS 16 HZ2 LYS 16 -4.119 9.272 6.340 122 HZ3 LYS 16 HZ3 LYS 16 -3.285 7.825 6.649 123 H ASN 17 H ASN 17 -6.211 6.424 2.303 124 HA ASN 17 HA ASN 17 -5.325 9.050 2.221 125 HB2 ASN 17 HB3 ASN 17 -4.694 6.723 0.998 126 HB3 ASN 17 HB2 ASN 17 -5.422 7.573 -0.365 127 HD21 ASN 17 HD21 ASN 17 -3.862 8.675 -1.548 128 HD22 ASN 17 HD22 ASN 17 -2.493 9.435 -0.894 129 H LYS 18 H LYS 18 -6.343 10.922 1.662 130 HA LYS 18 HA LYS 18 -8.947 11.057 0.485 131 HB2 LYS 18 HB3 LYS 18 -8.508 13.445 0.526 132 HB3 LYS 18 HB2 LYS 18 -7.756 12.733 1.955 133 HG2 LYS 18 HG3 LYS 18 -5.674 12.495 0.324 134 HG3 LYS 18 HG2 LYS 18 -6.469 13.825 -0.517 135 HD2 LYS 18 HD3 LYS 18 -6.373 15.233 1.403 136 HD3 LYS 18 HD2 LYS 18 -5.959 13.884 2.462 137 HE2 LYS 18 HE3 LYS 18 -3.739 13.913 1.848 138 HE3 LYS 18 HE2 LYS 18 -4.104 14.400 0.181 139 HZ1 LYS 18 HZ1 LYS 18 -4.242 16.579 0.739 140 HZ2 LYS 18 HZ2 LYS 18 -3.171 16.106 1.971 141 HZ3 LYS 18 HZ3 LYS 18 -4.831 16.269 2.298 142 H ASP 19 H ASP 19 -5.733 10.982 -0.927 143 HA ASP 19 HA ASP 19 -6.405 12.078 -3.507 144 HB2 ASP 19 HB3 ASP 19 -4.252 10.090 -2.718 145 HB3 ASP 19 HB2 ASP 19 -4.222 11.173 -4.110 146 H ILE 20 H ILE 20 -6.164 8.700 -2.326 147 HA ILE 20 HA ILE 20 -6.910 7.534 -4.875 148 HB ILE 20 HB ILE 20 -7.053 6.392 -2.067 149 HG12 ILE 20 HG13 ILE 20 -4.843 7.276 -2.321 150 HG13 ILE 20 HG12 ILE 20 -4.714 5.554 -2.681 151 HG21 ILE 20 HG21 ILE 20 -8.123 4.997 -3.776 152 HG22 ILE 20 HG22 ILE 20 -6.609 4.255 -3.257 153 HG23 ILE 20 HG23 ILE 20 -6.688 5.115 -4.795 154 HD11 ILE 20 HD11 ILE 20 -3.535 6.553 -4.454 155 HD12 ILE 20 HD12 ILE 20 -4.685 7.883 -4.592 156 HD13 ILE 20 HD13 ILE 20 -5.131 6.270 -5.148 157 H ARG 21 H ARG 21 -8.700 8.425 -1.935 158 HA ARG 21 HA ARG 21 -11.159 7.140 -2.418 159 HB2 ARG 21 HB3 ARG 21 -10.092 9.410 -0.907 160 HB3 ARG 21 HB2 ARG 21 -11.787 9.627 -1.345 161 HG2 ARG 21 HG3 ARG 21 -11.616 6.955 -0.540 162 HG3 ARG 21 HG2 ARG 21 -10.613 7.829 0.618 163 HD2 ARG 21 HD3 ARG 21 -13.393 8.781 -0.124 164 HD3 ARG 21 HD2 ARG 21 -13.097 7.667 1.226 165 HE ARG 21 HE ARG 21 -11.269 9.876 1.382 166 HH11 ARG 21 HH11 ARG 21 -14.585 9.000 1.804 167 HH12 ARG 21 HH12 ARG 21 -14.885 10.214 3.002 168 HH21 ARG 21 HH21 ARG 21 -11.653 11.462 2.942 169 HH22 ARG 21 HH22 ARG 21 -13.229 11.603 3.647 170 H SER 22 H SER 22 -9.848 10.094 -3.869 171 HA SER 22 HA SER 22 -12.303 10.943 -5.139 172 HB2 SER 22 HB3 SER 22 -10.880 12.705 -5.254 173 HB3 SER 22 HB2 SER 22 -9.487 11.668 -4.964 174 HG SER 22 HG SER 22 -9.067 11.910 -7.000 175 H LEU 23 H LEU 23 -9.561 8.927 -6.183 176 HA LEU 23 HA LEU 23 -10.477 8.624 -8.921 177 HB2 LEU 23 HB3 LEU 23 -8.670 6.851 -7.245 178 HB3 LEU 23 HB2 LEU 23 -8.690 6.970 -9.005 179 HG LEU 23 HG LEU 23 -8.060 9.289 -7.162 180 HD11 LEU 23 HD11 LEU 23 -6.365 7.470 -7.015 181 HD12 LEU 23 HD12 LEU 23 -5.718 8.927 -7.770 182 HD13 LEU 23 HD13 LEU 23 -6.169 7.542 -8.766 183 HD21 LEU 23 HD21 LEU 23 -8.927 9.406 -9.714 184 HD22 LEU 23 HD22 LEU 23 -7.208 9.151 -10.014 185 HD23 LEU 23 HD23 LEU 23 -7.741 10.541 -9.068 186 H LEU 24 H LEU 24 -10.590 6.530 -6.035 187 HA LEU 24 HA LEU 24 -12.204 4.483 -7.340 188 HB2 LEU 24 HB3 LEU 24 -10.806 4.990 -4.844 189 HB3 LEU 24 HB2 LEU 24 -12.386 4.268 -4.539 190 HG LEU 24 HG LEU 24 -10.710 2.507 -4.838 191 HD11 LEU 24 HD11 LEU 24 -12.132 1.209 -6.049 192 HD12 LEU 24 HD12 LEU 24 -12.079 2.288 -7.443 193 HD13 LEU 24 HD13 LEU 24 -13.146 2.652 -6.086 194 HD21 LEU 24 HD21 LEU 24 -10.079 4.150 -7.255 195 HD22 LEU 24 HD22 LEU 24 -9.893 2.401 -7.384 196 HD23 LEU 24 HD23 LEU 24 -8.988 3.297 -6.164 197 H GLN 25 H GLN 25 -12.923 7.557 -6.114 198 HA GLN 25 HA GLN 25 -14.979 8.632 -5.663 199 HB2 GLN 25 HB3 GLN 25 -16.168 6.098 -6.824 200 HB3 GLN 25 HB2 GLN 25 -16.848 7.724 -6.871 201 HG2 GLN 25 HG3 GLN 25 -15.010 8.480 -8.307 202 HG3 GLN 25 HG2 GLN 25 -14.270 6.881 -8.226 203 HE21 GLN 25 HE21 GLN 25 -14.911 5.406 -9.818 204 HE22 GLN 25 HE22 GLN 25 -16.275 5.590 -10.810 205 H CYS 26 H CYS 26 -13.800 7.021 -3.553 206 HA CYS 26 HA CYS 26 -15.611 5.241 -2.282 207 HB2 CYS 26 HB3 CYS 26 -13.156 6.684 -1.750 208 HB3 CYS 26 HB2 CYS 26 -14.181 6.674 -0.315 209 HG CYS 26 HG CYS 26 -14.315 3.986 -0.678 210 H ASP 27 H ASP 27 -16.497 5.966 0.040 211 HA ASP 27 HA ASP 27 -17.843 8.626 -0.186 212 HB2 ASP 27 HB3 ASP 27 -18.958 5.917 -0.349 213 HB3 ASP 27 HB2 ASP 27 -19.759 6.920 0.860 214 H ASP 28 H ASP 28 -19.016 9.099 1.971 215 HA ASP 28 HA ASP 28 -18.290 7.759 4.403 216 HB2 ASP 28 HB3 ASP 28 -16.051 8.573 3.566 217 HB3 ASP 28 HB2 ASP 28 -16.656 10.223 3.711 218 H GLY 29 H GLY 29 -20.659 8.418 4.410 219 HA2 GLY 29 HA3 GLY 29 -20.926 11.156 5.565 220 HA3 GLY 29 HA2 GLY 29 -22.059 10.611 4.328 221 H ILE 30 H ILE 30 -23.010 11.358 6.824 222 HA ILE 30 HA ILE 30 -23.280 9.273 8.751 223 HB ILE 30 HB ILE 30 -23.857 11.703 8.993 224 HG12 ILE 30 HG13 ILE 30 -26.286 11.116 9.975 225 HG13 ILE 30 HG12 ILE 30 -25.707 9.471 9.708 226 HG21 ILE 30 HG21 ILE 30 -24.965 11.885 6.757 227 HG22 ILE 30 HG22 ILE 30 -25.961 12.518 8.068 228 HG23 ILE 30 HG23 ILE 30 -26.309 10.931 7.383 229 HD11 ILE 30 HD11 ILE 30 -23.564 10.215 10.929 230 HD12 ILE 30 HD12 ILE 30 -25.010 9.991 11.913 231 HD13 ILE 30 HD13 ILE 30 -24.498 11.615 11.455 232 H THR 31 H THR 31 -24.570 9.585 5.574 233 HA THR 31 HA THR 31 -26.910 7.856 6.055 234 HB THR 31 HB THR 31 -27.003 9.707 4.456 235 HG1 THR 31 HG1 THR 31 -26.858 7.545 2.724 236 HG21 THR 31 HG21 THR 31 -25.448 8.894 2.295 237 HG22 THR 31 HG22 THR 31 -24.411 8.607 3.692 238 HG23 THR 31 HG23 THR 31 -25.074 10.215 3.402 239 H GLY 32 H GLY 32 -23.579 7.534 5.032 240 HA2 GLY 32 HA3 GLY 32 -23.574 4.698 5.275 241 HA3 GLY 32 HA2 GLY 32 -23.776 5.095 3.569 242 H LYS 33 H LYS 33 -21.464 4.166 5.578 243 HA LYS 33 HA LYS 33 -19.381 6.035 4.507 244 HB2 LYS 33 HB3 LYS 33 -19.731 4.358 6.974 245 HB3 LYS 33 HB2 LYS 33 -18.097 4.749 6.436 246 HG2 LYS 33 HG3 LYS 33 -18.280 6.847 7.233 247 HG3 LYS 33 HG2 LYS 33 -19.765 7.106 6.317 248 HD2 LYS 33 HD3 LYS 33 -21.101 6.656 8.105 249 HD3 LYS 33 HD2 LYS 33 -20.054 5.361 8.686 250 HE2 LYS 33 HE3 LYS 33 -19.196 6.767 10.237 251 HE3 LYS 33 HE2 LYS 33 -18.633 7.844 8.942 252 HZ1 LYS 33 HZ1 LYS 33 -21.303 7.803 10.233 253 HZ2 LYS 33 HZ2 LYS 33 -20.996 8.626 8.779 254 HZ3 LYS 33 HZ3 LYS 33 -20.188 9.081 10.203 255 H GLU 34 H GLU 34 -17.835 5.187 3.134 256 HA GLU 34 HA GLU 34 -18.174 2.424 2.191 257 HB2 GLU 34 HB3 GLU 34 -17.783 4.473 0.767 258 HB3 GLU 34 HB2 GLU 34 -16.146 4.541 1.421 259 HG2 GLU 34 HG3 GLU 34 -15.482 2.597 0.336 260 HG3 GLU 34 HG2 GLU 34 -17.126 1.963 0.246 261 H ARG 35 H ARG 35 -16.690 0.758 2.477 262 HA ARG 35 HA ARG 35 -14.290 1.313 4.185 263 HB2 ARG 35 HB3 ARG 35 -16.559 0.103 5.058 264 HB3 ARG 35 HB2 ARG 35 -15.702 -1.298 4.412 265 HG2 ARG 35 HG3 ARG 35 -14.548 0.684 6.399 266 HG3 ARG 35 HG2 ARG 35 -15.167 -0.916 6.807 267 HD2 ARG 35 HD3 ARG 35 -13.461 -1.984 5.416 268 HD3 ARG 35 HD2 ARG 35 -12.877 -0.397 4.875 269 HE ARG 35 HE ARG 35 -11.844 -0.106 6.987 270 HH11 ARG 35 HH11 ARG 35 -14.148 -2.680 7.009 271 HH12 ARG 35 HH12 ARG 35 -13.725 -3.217 8.599 272 HH21 ARG 35 HH21 ARG 35 -11.287 -0.798 9.063 273 HH22 ARG 35 HH22 ARG 35 -12.110 -2.153 9.761 274 H LEU 36 H LEU 36 -12.456 0.591 3.171 275 HA LEU 36 HA LEU 36 -12.761 -1.216 0.828 276 HB2 LEU 36 HB3 LEU 36 -10.484 0.510 1.838 277 HB3 LEU 36 HB2 LEU 36 -10.494 -0.368 0.306 278 HG LEU 36 HG LEU 36 -12.797 1.440 0.898 279 HD11 LEU 36 HD11 LEU 36 -10.051 2.299 0.888 280 HD12 LEU 36 HD12 LEU 36 -11.511 3.268 1.092 281 HD13 LEU 36 HD13 LEU 36 -10.880 2.951 -0.525 282 HD21 LEU 36 HD21 LEU 36 -11.848 1.777 -1.706 283 HD22 LEU 36 HD22 LEU 36 -13.184 0.735 -1.216 284 HD23 LEU 36 HD23 LEU 36 -11.557 0.071 -1.365 285 H LYS 37 H LYS 37 -11.607 -3.141 0.668 286 HA LYS 37 HA LYS 37 -10.254 -4.101 3.165 287 HB2 LYS 37 HB3 LYS 37 -11.975 -5.613 1.168 288 HB3 LYS 37 HB2 LYS 37 -11.246 -6.298 2.622 289 HG2 LYS 37 HG3 LYS 37 -12.926 -5.528 3.906 290 HG3 LYS 37 HG2 LYS 37 -12.733 -3.895 3.266 291 HD2 LYS 37 HD3 LYS 37 -14.946 -4.569 2.668 292 HD3 LYS 37 HD2 LYS 37 -13.987 -4.706 1.193 293 HE2 LYS 37 HE3 LYS 37 -13.838 -7.172 2.720 294 HE3 LYS 37 HE2 LYS 37 -15.525 -6.749 2.367 295 HZ1 LYS 37 HZ1 LYS 37 -14.503 -6.115 0.062 296 HZ2 LYS 37 HZ2 LYS 37 -14.924 -7.726 0.401 297 HZ3 LYS 37 HZ3 LYS 37 -13.303 -7.228 0.507 298 H ALA 38 H ALA 38 -8.333 -5.248 2.845 299 HA ALA 38 HA ALA 38 -7.441 -5.733 0.034 300 HB1 ALA 38 HB1 ALA 38 -5.267 -4.797 1.657 301 HB2 ALA 38 HB2 ALA 38 -6.610 -3.665 1.808 302 HB3 ALA 38 HB3 ALA 38 -5.954 -4.047 0.217 303 H TYR 39 H TYR 39 -5.509 -7.202 -0.011 304 HA TYR 39 HA TYR 39 -4.994 -8.782 2.441 305 HB2 TYR 39 HB3 TYR 39 -5.599 -10.869 1.006 306 HB3 TYR 39 HB2 TYR 39 -6.924 -9.920 1.678 307 HD1 TYR 39 HD1 TYR 39 -8.385 -8.617 0.268 308 HD2 TYR 39 HD2 TYR 39 -4.983 -10.647 -1.391 309 HE1 TYR 39 HE1 TYR 39 -9.250 -8.198 -2.018 310 HE2 TYR 39 HE2 TYR 39 -5.848 -10.229 -3.677 311 HH TYR 39 HH TYR 39 -7.953 -9.751 -4.785 312 H GLY 40 H GLY 40 -3.331 -10.585 1.850 313 HA2 GLY 40 HA3 GLY 40 -1.029 -9.448 0.687 314 HA3 GLY 40 HA2 GLY 40 -1.265 -11.179 0.919 315 H GLU 41 H GLU 41 -0.177 -11.555 -1.129 316 HA GLU 41 HA GLU 41 -1.385 -10.495 -3.590 317 HB2 GLU 41 HB3 GLU 41 0.467 -11.731 -4.618 318 HB3 GLU 41 HB2 GLU 41 1.062 -10.837 -3.218 319 HG2 GLU 41 HG3 GLU 41 0.395 -13.122 -1.979 320 HG3 GLU 41 HG2 GLU 41 0.721 -13.776 -3.585 321 H LEU 42 H LEU 42 -0.646 -13.255 -4.789 322 HA LEU 42 HA LEU 42 -3.064 -14.350 -5.415 323 HB2 LEU 42 HB3 LEU 42 -0.397 -15.567 -4.721 324 HB3 LEU 42 HB2 LEU 42 -1.720 -16.573 -5.317 325 HG LEU 42 HG LEU 42 -1.616 -14.298 -7.005 326 HD11 LEU 42 HD11 LEU 42 0.549 -13.671 -7.002 327 HD12 LEU 42 HD12 LEU 42 0.939 -15.256 -7.670 328 HD13 LEU 42 HD13 LEU 42 0.988 -14.997 -5.926 329 HD21 LEU 42 HD21 LEU 42 -2.094 -16.887 -7.331 330 HD22 LEU 42 HD22 LEU 42 -0.387 -16.924 -7.772 331 HD23 LEU 42 HD23 LEU 42 -1.509 -15.910 -8.678 332 H ILE 43 H ILE 43 -4.759 -14.602 -3.975 333 HA ILE 43 HA ILE 43 -4.307 -16.415 -1.640 334 HB ILE 43 HB ILE 43 -5.818 -14.807 -0.363 335 HG12 ILE 43 HG13 ILE 43 -5.052 -12.600 -2.162 336 HG13 ILE 43 HG12 ILE 43 -6.232 -13.715 -2.853 337 HG21 ILE 43 HG21 ILE 43 -3.746 -14.378 0.444 338 HG22 ILE 43 HG22 ILE 43 -3.767 -12.965 -0.611 339 HG23 ILE 43 HG23 ILE 43 -3.016 -14.463 -1.159 340 HD11 ILE 43 HD11 ILE 43 -7.504 -13.488 -0.633 341 HD12 ILE 43 HD12 ILE 43 -7.530 -12.089 -1.705 342 HD13 ILE 43 HD13 ILE 43 -6.457 -12.107 -0.306 343 H THR 44 H THR 44 -6.743 -16.745 -0.663 344 HA THR 44 HA THR 44 -8.214 -18.179 -2.677 345 HB THR 44 HB THR 44 -8.143 -18.656 -0.227 346 HG1 THR 44 HG1 THR 44 -10.033 -19.053 -1.774 347 HG21 THR 44 HG21 THR 44 -9.687 -17.233 1.202 348 HG22 THR 44 HG22 THR 44 -9.705 -16.068 -0.122 349 HG23 THR 44 HG23 THR 44 -8.191 -16.446 0.699 350 H ASN 45 H ASN 45 -8.099 -14.854 -1.913 351 HA ASN 45 HA ASN 45 -9.400 -13.022 -2.641 352 HB2 ASN 45 HB3 ASN 45 -9.005 -14.638 -4.713 353 HB3 ASN 45 HB2 ASN 45 -10.747 -14.878 -4.572 354 HD21 ASN 45 HD21 ASN 45 -8.494 -12.951 -6.109 355 HD22 ASN 45 HD22 ASN 45 -9.447 -11.571 -6.369 356 H ASP 46 H ASP 46 -10.818 -12.643 -0.907 357 HA ASP 46 HA ASP 46 -13.598 -12.979 -1.211 358 HB2 ASP 46 HB3 ASP 46 -12.174 -15.378 -0.468 359 HB3 ASP 46 HB2 ASP 46 -13.275 -14.920 0.833 360 H LYS 47 H LYS 47 -14.355 -13.490 1.497 361 HA LYS 47 HA LYS 47 -13.997 -10.976 2.741 362 HB2 LYS 47 HB3 LYS 47 -14.541 -13.721 3.922 363 HB3 LYS 47 HB2 LYS 47 -14.858 -12.192 4.740 364 HG2 LYS 47 HG3 LYS 47 -16.779 -11.872 3.597 365 HG3 LYS 47 HG2 LYS 47 -16.007 -12.259 2.058 366 HD2 LYS 47 HD3 LYS 47 -16.428 -14.553 3.886 367 HD3 LYS 47 HD2 LYS 47 -17.894 -13.834 3.217 368 HE2 LYS 47 HE3 LYS 47 -17.460 -15.168 1.409 369 HE3 LYS 47 HE2 LYS 47 -16.237 -13.946 1.004 370 HZ1 LYS 47 HZ1 LYS 47 -15.234 -16.145 1.161 371 HZ2 LYS 47 HZ2 LYS 47 -15.810 -16.315 2.750 372 HZ3 LYS 47 HZ3 LYS 47 -14.645 -15.132 2.387 373 H TRP 48 H TRP 48 -13.104 -11.473 5.349 374 HA TRP 48 HA TRP 48 -10.378 -10.975 5.338 375 HB2 TRP 48 HB3 TRP 48 -11.958 -12.655 7.316 376 HB3 TRP 48 HB2 TRP 48 -10.448 -11.814 7.665 377 HD1 TRP 48 HD1 TRP 48 -14.059 -11.356 7.888 378 HE1 TRP 48 HE1 TRP 48 -14.668 -8.872 8.215 379 HE3 TRP 48 HE3 TRP 48 -9.586 -9.191 6.715 380 HZ2 TRP 48 HZ2 TRP 48 -13.421 -6.304 8.007 381 HZ3 TRP 48 HZ3 TRP 48 -9.324 -6.728 6.787 382 HH2 TRP 48 HH2 TRP 48 -11.233 -5.283 7.431 383 H THR 49 H THR 49 -11.695 -14.232 6.065 384 HA THR 49 HA THR 49 -10.636 -16.347 5.847 385 HB THR 49 HB THR 49 -9.894 -16.615 3.427 386 HG1 THR 49 HG1 THR 49 -10.179 -14.801 2.120 387 HG21 THR 49 HG21 THR 49 -12.300 -16.746 4.324 388 HG22 THR 49 HG22 THR 49 -12.110 -16.473 2.592 389 HG23 THR 49 HG23 THR 49 -12.509 -15.126 3.659 390 H ARG 50 H ARG 50 -8.279 -15.016 3.646 391 HA ARG 50 HA ARG 50 -5.932 -14.836 3.814 392 HB2 ARG 50 HB3 ARG 50 -7.187 -13.550 6.009 393 HB3 ARG 50 HB2 ARG 50 -5.786 -14.400 6.662 394 HG2 ARG 50 HG3 ARG 50 -4.297 -13.085 5.539 395 HG3 ARG 50 HG2 ARG 50 -5.328 -12.963 4.113 396 HD2 ARG 50 HD3 ARG 50 -5.160 -10.762 5.210 397 HD3 ARG 50 HD2 ARG 50 -6.814 -11.383 5.381 398 HE ARG 50 HE ARG 50 -6.418 -11.670 7.698 399 HH11 ARG 50 HH11 ARG 50 -3.491 -11.223 5.920 400 HH12 ARG 50 HH12 ARG 50 -2.497 -11.117 7.334 401 HH21 ARG 50 HH21 ARG 50 -5.133 -11.531 9.548 402 HH22 ARG 50 HH22 ARG 50 -3.425 -11.292 9.386 403 H ASN 51 H ASN 51 -5.270 -16.991 3.467 404 HA ASN 51 HA ASN 51 -5.114 -18.766 5.877 405 HB2 ASN 51 HB3 ASN 51 -6.101 -19.114 3.272 406 HB3 ASN 51 HB2 ASN 51 -4.568 -19.988 3.291 407 HD21 ASN 51 HD21 ASN 51 -5.362 -22.143 3.474 408 HD22 ASN 51 HD22 ASN 51 -6.297 -22.684 4.783 409 H ARG 52 H ARG 52 -3.266 -17.490 3.114 410 HA ARG 52 HA ARG 52 -0.774 -18.730 4.157 411 HB2 ARG 52 HB3 ARG 52 -1.871 -18.039 1.630 412 HB3 ARG 52 HB2 ARG 52 -0.446 -17.023 1.857 413 HG2 ARG 52 HG3 ARG 52 0.120 -19.199 0.792 414 HG3 ARG 52 HG2 ARG 52 0.915 -18.999 2.354 415 HD2 ARG 52 HD3 ARG 52 -0.624 -20.473 3.442 416 HD3 ARG 52 HD2 ARG 52 -1.733 -20.447 2.056 417 HE ARG 52 HE ARG 52 0.851 -21.317 1.177 418 HH11 ARG 52 HH11 ARG 52 -1.884 -22.293 3.047 419 HH12 ARG 52 HH12 ARG 52 -1.656 -23.980 2.735 420 HH21 ARG 52 HH21 ARG 52 1.158 -23.517 0.766 421 HH22 ARG 52 HH22 ARG 52 0.063 -24.674 1.447 422 HA PRO 53 HA PRO 53 0.397 -14.980 6.153 423 HB2 PRO 53 HB3 PRO 53 3.088 -15.462 6.338 424 HB3 PRO 53 HB2 PRO 53 1.885 -16.237 7.387 425 HG2 PRO 53 HG3 PRO 53 3.316 -17.322 5.026 426 HG3 PRO 53 HG2 PRO 53 2.797 -18.138 6.508 427 HD2 PRO 53 HD3 PRO 53 1.500 -18.332 4.093 428 HD3 PRO 53 HD2 PRO 53 0.731 -18.609 5.670 429 H ILE 54 H ILE 54 1.700 -13.035 5.726 430 HA ILE 54 HA ILE 54 2.051 -12.526 2.857 431 HB ILE 54 HB ILE 54 2.350 -10.895 5.398 432 HG12 ILE 54 HG13 ILE 54 0.048 -11.541 4.821 433 HG13 ILE 54 HG12 ILE 54 0.276 -9.816 4.530 434 HG21 ILE 54 HG21 ILE 54 2.081 -9.426 2.881 435 HG22 ILE 54 HG22 ILE 54 3.577 -10.355 2.963 436 HG23 ILE 54 HG23 ILE 54 3.208 -9.168 4.213 437 HD11 ILE 54 HD11 ILE 54 -0.444 -11.885 2.654 438 HD12 ILE 54 HD12 ILE 54 1.060 -11.112 2.151 439 HD13 ILE 54 HD13 ILE 54 -0.387 -10.139 2.412 440 H VAL 55 H VAL 55 4.009 -12.536 1.812 441 HA VAL 55 HA VAL 55 6.445 -13.152 3.408 442 HB VAL 55 HB VAL 55 5.690 -14.557 1.471 443 HG11 VAL 55 HG11 VAL 55 5.463 -13.709 -0.665 444 HG12 VAL 55 HG12 VAL 55 6.643 -12.427 -0.396 445 HG13 VAL 55 HG13 VAL 55 5.012 -12.275 0.257 446 HG21 VAL 55 HG21 VAL 55 8.091 -14.408 2.162 447 HG22 VAL 55 HG22 VAL 55 8.313 -13.108 0.992 448 HG23 VAL 55 HG23 VAL 55 7.896 -14.730 0.439 449 H SER 56 H SER 56 8.364 -11.886 3.162 450 HA SER 56 HA SER 56 8.009 -9.236 1.802 451 HB2 SER 56 HB3 SER 56 9.559 -8.558 3.852 452 HB3 SER 56 HB2 SER 56 7.813 -8.665 4.049 453 HG SER 56 HG SER 56 8.909 -9.826 5.674 454 H THR 57 H THR 57 9.940 -8.366 0.887 455 HA THR 57 HA THR 57 12.138 -10.370 0.590 456 HB THR 57 HB THR 57 12.528 -9.194 -1.565 457 HG1 THR 57 HG1 THR 57 11.511 -7.206 -0.530 458 HG21 THR 57 HG21 THR 57 10.308 -10.790 -0.852 459 HG22 THR 57 HG22 THR 57 11.001 -10.578 -2.460 460 HG23 THR 57 HG23 THR 57 9.688 -9.532 -1.922 461 H LYS 58 H LYS 58 14.275 -9.697 0.980 462 HA LYS 58 HA LYS 58 14.648 -6.860 1.879 463 HB2 LYS 58 HB3 LYS 58 15.780 -7.630 3.804 464 HB3 LYS 58 HB2 LYS 58 14.446 -8.770 3.645 465 HG2 LYS 58 HG3 LYS 58 15.897 -10.400 2.571 466 HG3 LYS 58 HG2 LYS 58 17.232 -9.247 2.549 467 HD2 LYS 58 HD3 LYS 58 17.815 -10.285 4.497 468 HD3 LYS 58 HD2 LYS 58 16.606 -9.204 5.191 469 HE2 LYS 58 HE3 LYS 58 15.153 -10.915 5.610 470 HE3 LYS 58 HE2 LYS 58 15.495 -11.700 4.055 471 HZ1 LYS 58 HZ1 LYS 58 17.494 -12.592 4.872 472 HZ2 LYS 58 HZ2 LYS 58 16.360 -12.879 6.103 473 HZ3 LYS 58 HZ3 LYS 58 17.479 -11.609 6.254 474 H LYS 59 H LYS 59 16.378 -5.870 0.890 475 HA LYS 59 HA LYS 59 18.525 -7.583 -0.292 476 HB2 LYS 59 HB3 LYS 59 16.494 -5.900 -1.609 477 HB3 LYS 59 HB2 LYS 59 18.142 -5.594 -2.161 478 HG2 LYS 59 HG3 LYS 59 18.288 -7.602 -3.205 479 HG3 LYS 59 HG2 LYS 59 17.510 -8.451 -1.868 480 HD2 LYS 59 HD3 LYS 59 15.823 -6.644 -3.549 481 HD3 LYS 59 HD2 LYS 59 16.298 -8.201 -4.226 482 HE2 LYS 59 HE3 LYS 59 15.502 -8.745 -1.568 483 HE3 LYS 59 HE2 LYS 59 14.271 -7.657 -2.240 484 HZ1 LYS 59 HZ1 LYS 59 14.398 -9.083 -4.301 485 HZ2 LYS 59 HZ2 LYS 59 13.662 -9.803 -2.949 486 HZ3 LYS 59 HZ3 LYS 59 15.256 -10.212 -3.372 487 H LEU 60 H LEU 60 20.558 -6.672 -0.040 488 HA LEU 60 HA LEU 60 20.679 -3.994 1.274 489 HB2 LEU 60 HB3 LEU 60 22.979 -4.849 1.902 490 HB3 LEU 60 HB2 LEU 60 21.648 -5.832 2.514 491 HG LEU 60 HG LEU 60 22.436 -6.670 -0.155 492 HD11 LEU 60 HD11 LEU 60 24.628 -7.662 0.595 493 HD12 LEU 60 HD12 LEU 60 24.532 -6.648 2.035 494 HD13 LEU 60 HD13 LEU 60 24.655 -5.905 0.440 495 HD21 LEU 60 HD21 LEU 60 22.962 -8.673 1.749 496 HD22 LEU 60 HD22 LEU 60 21.483 -8.475 0.809 497 HD23 LEU 60 HD23 LEU 60 21.613 -7.750 2.411 498 H ASP 61 H ASP 61 21.902 -2.329 0.344 499 HA ASP 61 HA ASP 61 22.705 -2.702 -2.484 500 HB2 ASP 61 HB3 ASP 61 22.054 -0.480 -0.604 501 HB3 ASP 61 HB2 ASP 61 23.153 -0.102 -1.931 502 H LYS 62 H LYS 62 24.787 -0.983 -2.804 503 HA LYS 62 HA LYS 62 27.069 -2.447 -1.868 504 HB2 LYS 62 HB3 LYS 62 27.039 -1.131 -3.926 505 HB3 LYS 62 HB2 LYS 62 26.734 0.346 -3.010 506 HG2 LYS 62 HG3 LYS 62 29.039 -0.954 -1.907 507 HG3 LYS 62 HG2 LYS 62 29.252 -0.814 -3.653 508 HD2 LYS 62 HD3 LYS 62 29.131 1.516 -3.616 509 HD3 LYS 62 HD2 LYS 62 28.235 1.545 -2.097 510 HE2 LYS 62 HE3 LYS 62 30.708 0.271 -1.530 511 HE3 LYS 62 HE2 LYS 62 31.085 1.722 -2.480 512 HZ1 LYS 62 HZ1 LYS 62 29.228 1.652 -0.162 513 HZ2 LYS 62 HZ2 LYS 62 29.689 3.028 -1.045 514 HZ3 LYS 62 HZ3 LYS 62 30.829 2.205 -0.090 515 H GLU 63 H GLU 63 25.116 -0.093 -0.324 516 HA GLU 63 HA GLU 63 27.285 0.808 1.495 517 HB2 GLU 63 HB3 GLU 63 24.355 1.518 1.154 518 HB3 GLU 63 HB2 GLU 63 25.425 2.287 2.327 519 HG2 GLU 63 HG3 GLU 63 26.875 3.098 0.557 520 HG3 GLU 63 HG2 GLU 63 25.952 2.210 -0.656 521 H GLY 64 H GLY 64 24.959 -1.669 1.314 522 HA2 GLY 64 HA3 GLY 64 24.796 -3.416 2.971 523 HA3 GLY 64 HA2 GLY 64 25.372 -2.276 4.188 524 H ARG 65 H ARG 65 23.203 -0.517 2.512 525 HA ARG 65 HA ARG 65 21.196 -0.610 4.586 526 HB2 ARG 65 HB3 ARG 65 21.969 0.984 2.378 527 HB3 ARG 65 HB2 ARG 65 20.292 0.524 2.082 528 HG2 ARG 65 HG3 ARG 65 19.517 1.585 3.999 529 HG3 ARG 65 HG2 ARG 65 21.072 1.456 4.823 530 HD2 ARG 65 HD3 ARG 65 21.661 3.020 2.593 531 HD3 ARG 65 HD2 ARG 65 20.070 3.610 3.117 532 HE ARG 65 HE ARG 65 22.537 3.919 4.600 533 HH11 ARG 65 HH11 ARG 65 19.146 3.311 4.851 534 HH12 ARG 65 HH12 ARG 65 19.015 3.974 6.445 535 HH21 ARG 65 HH21 ARG 65 22.377 4.786 6.677 536 HH22 ARG 65 HH22 ARG 65 20.841 4.808 7.478 537 H THR 66 H THR 66 19.644 -2.177 4.786 538 HA THR 66 HA THR 66 19.055 -3.996 2.544 539 HB THR 66 HB THR 66 18.192 -3.763 5.439 540 HG1 THR 66 HG1 THR 66 20.205 -4.555 5.321 541 HG21 THR 66 HG21 THR 66 16.948 -5.774 5.217 542 HG22 THR 66 HG22 THR 66 17.587 -6.082 3.603 543 HG23 THR 66 HG23 THR 66 16.438 -4.769 3.860 544 H HIS 67 H HIS 67 17.244 -3.853 1.263 545 HA HIS 67 HA HIS 67 15.259 -1.705 1.905 546 HB2 HIS 67 HB3 HIS 67 16.206 -3.046 -0.642 547 HB3 HIS 67 HB2 HIS 67 14.823 -1.952 -0.601 548 HD1 HIS 67 HD1 HIS 67 18.002 -1.652 -1.725 549 HD2 HIS 67 HD2 HIS 67 16.037 0.419 1.312 550 HE1 HIS 67 HE1 HIS 67 19.255 0.526 -1.417 551 H HIS 68 H HIS 68 13.073 -2.254 2.043 552 HA HIS 68 HA HIS 68 12.402 -5.165 1.752 553 HB2 HIS 68 HB3 HIS 68 12.308 -4.499 4.049 554 HB3 HIS 68 HB2 HIS 68 11.494 -2.986 3.647 555 HD1 HIS 68 HD1 HIS 68 10.543 -6.399 2.297 556 HD2 HIS 68 HD2 HIS 68 9.033 -3.497 4.881 557 HE1 HIS 68 HE1 HIS 68 8.184 -7.114 2.877 558 H TYR 69 H TYR 69 10.615 -5.662 0.476 559 HA TYR 69 HA TYR 69 9.078 -3.349 -0.667 560 HB2 TYR 69 HB3 TYR 69 9.934 -5.976 -1.931 561 HB3 TYR 69 HB2 TYR 69 8.993 -4.720 -2.737 562 HD1 TYR 69 HD1 TYR 69 10.003 -2.533 -3.278 563 HD2 TYR 69 HD2 TYR 69 12.304 -5.695 -1.500 564 HE1 TYR 69 HE1 TYR 69 12.097 -1.344 -3.873 565 HE2 TYR 69 HE2 TYR 69 14.397 -4.506 -2.096 566 HH TYR 69 HH TYR 69 14.504 -1.303 -2.984 567 H MET 70 H MET 70 6.889 -3.480 -0.358 568 HA MET 70 HA MET 70 5.671 -6.162 0.182 569 HB2 MET 70 HB3 MET 70 6.292 -4.447 2.156 570 HB3 MET 70 HB2 MET 70 4.733 -3.764 1.693 571 HG2 MET 70 HG3 MET 70 3.558 -5.638 2.350 572 HG3 MET 70 HG2 MET 70 4.907 -6.727 2.024 573 HE1 MET 70 HE1 MET 70 3.366 -6.569 5.608 574 HE2 MET 70 HE2 MET 70 4.486 -7.836 5.113 575 HE3 MET 70 HE3 MET 70 3.272 -7.251 3.978 576 H ARG 71 H ARG 71 3.654 -6.413 -0.792 577 HA ARG 71 HA ARG 71 2.257 -3.997 -1.842 578 HB2 ARG 71 HB3 ARG 71 2.105 -5.144 -4.064 579 HB3 ARG 71 HB2 ARG 71 3.767 -4.764 -3.608 580 HG2 ARG 71 HG3 ARG 71 4.162 -7.037 -2.889 581 HG3 ARG 71 HG2 ARG 71 2.459 -7.448 -3.099 582 HD2 ARG 71 HD3 ARG 71 2.638 -7.078 -5.524 583 HD3 ARG 71 HD2 ARG 71 4.338 -6.602 -5.335 584 HE ARG 71 HE ARG 71 4.072 -9.095 -4.054 585 HH11 ARG 71 HH11 ARG 71 3.677 -7.726 -7.201 586 HH12 ARG 71 HH12 ARG 71 4.099 -9.186 -8.030 587 HH21 ARG 71 HH21 ARG 71 4.632 -11.001 -5.125 588 HH22 ARG 71 HH22 ARG 71 4.639 -11.038 -6.857 589 H PHE 72 H PHE 72 -0.002 -4.362 -2.173 590 HA PHE 72 HA PHE 72 -1.111 -7.056 -1.623 591 HB2 PHE 72 HB3 PHE 72 -2.546 -5.939 0.203 592 HB3 PHE 72 HB2 PHE 72 -0.850 -6.219 0.599 593 HD1 PHE 72 HD1 PHE 72 -3.415 -3.707 -0.100 594 HD2 PHE 72 HD2 PHE 72 0.782 -4.351 0.544 595 HE1 PHE 72 HE1 PHE 72 -3.098 -1.275 0.271 596 HE2 PHE 72 HE2 PHE 72 1.099 -1.920 0.916 597 HZ PHE 72 HZ PHE 72 -0.841 -0.382 0.780 598 H HIS 73 H HIS 73 -3.372 -7.186 -2.254 599 HA HIS 73 HA HIS 73 -4.131 -5.138 -4.256 600 HB2 HIS 73 HB3 HIS 73 -5.461 -7.752 -3.479 601 HB3 HIS 73 HB2 HIS 73 -5.703 -6.845 -4.971 602 HD1 HIS 73 HD1 HIS 73 -4.871 -9.374 -5.864 603 HD2 HIS 73 HD2 HIS 73 -1.987 -6.825 -4.265 604 HE1 HIS 73 HE1 HIS 73 -2.630 -10.225 -6.679 605 H VAL 74 H VAL 74 -6.293 -4.188 -4.228 606 HA VAL 74 HA VAL 74 -7.636 -4.203 -1.546 607 HB VAL 74 HB VAL 74 -7.001 -1.837 -3.344 608 HG11 VAL 74 HG11 VAL 74 -7.731 -0.951 -0.797 609 HG12 VAL 74 HG12 VAL 74 -8.890 -2.230 -1.157 610 HG13 VAL 74 HG13 VAL 74 -8.720 -0.859 -2.254 611 HG21 VAL 74 HG21 VAL 74 -5.944 -1.694 -0.666 612 HG22 VAL 74 HG22 VAL 74 -5.070 -1.656 -2.197 613 HG23 VAL 74 HG23 VAL 74 -5.421 -3.200 -1.421 614 H GLU 75 H GLU 75 -9.866 -4.390 -1.702 615 HA GLU 75 HA GLU 75 -11.059 -4.148 -4.448 616 HB2 GLU 75 HB3 GLU 75 -10.756 -6.396 -2.967 617 HB3 GLU 75 HB2 GLU 75 -12.322 -5.851 -2.364 618 HG2 GLU 75 HG3 GLU 75 -13.262 -5.839 -4.577 619 HG3 GLU 75 HG2 GLU 75 -11.679 -6.092 -5.313 620 H SER 76 H SER 76 -12.620 -2.598 -4.596 621 HA SER 76 HA SER 76 -13.946 -1.672 -2.068 622 HB2 SER 76 HB3 SER 76 -13.841 0.506 -2.957 623 HB3 SER 76 HB2 SER 76 -12.325 -0.201 -3.508 624 HG SER 76 HG SER 76 -14.171 0.862 -4.988 625 H LYS 77 H LYS 77 -16.164 -0.560 -2.708 626 HA LYS 77 HA LYS 77 -17.789 -2.602 -4.026 627 HB2 LYS 77 HB3 LYS 77 -19.608 -0.978 -3.393 628 HB3 LYS 77 HB2 LYS 77 -18.566 -1.427 -2.042 629 HG2 LYS 77 HG3 LYS 77 -17.538 0.646 -1.963 630 HG3 LYS 77 HG2 LYS 77 -17.811 0.963 -3.677 631 HD2 LYS 77 HD3 LYS 77 -19.938 0.970 -1.514 632 HD3 LYS 77 HD2 LYS 77 -19.260 2.397 -2.300 633 HE2 LYS 77 HE3 LYS 77 -20.997 2.169 -3.767 634 HE3 LYS 77 HE2 LYS 77 -20.051 0.832 -4.453 635 HZ1 LYS 77 HZ1 LYS 77 -22.316 0.745 -2.609 636 HZ2 LYS 77 HZ2 LYS 77 -21.081 -0.397 -2.369 637 HZ3 LYS 77 HZ3 LYS 77 -21.899 -0.324 -3.857 638 H LYS 78 H LYS 78 -16.169 0.276 -5.027 639 HA LYS 78 HA LYS 78 -17.935 0.616 -7.404 640 HB2 LYS 78 HB3 LYS 78 -15.900 2.207 -5.899 641 HB3 LYS 78 HB2 LYS 78 -16.107 2.565 -7.614 642 HG2 LYS 78 HG3 LYS 78 -18.078 3.597 -7.246 643 HG3 LYS 78 HG2 LYS 78 -18.672 2.251 -6.274 644 HD2 LYS 78 HD3 LYS 78 -17.141 3.151 -4.408 645 HD3 LYS 78 HD2 LYS 78 -17.032 4.621 -5.375 646 HE2 LYS 78 HE3 LYS 78 -19.748 3.466 -4.798 647 HE3 LYS 78 HE2 LYS 78 -18.927 4.428 -3.553 648 HZ1 LYS 78 HZ1 LYS 78 -20.224 5.838 -5.051 649 HZ2 LYS 78 HZ2 LYS 78 -19.335 5.259 -6.378 650 HZ3 LYS 78 HZ3 LYS 78 -18.566 6.176 -5.172 651 H LYS 79 H LYS 79 -14.778 -0.557 -6.457 652 HA LYS 79 HA LYS 79 -14.310 -1.965 -8.892 653 HB2 LYS 79 HB3 LYS 79 -13.800 0.882 -8.909 654 HB3 LYS 79 HB2 LYS 79 -12.295 0.002 -9.177 655 HG2 LYS 79 HG3 LYS 79 -13.838 -1.423 -10.816 656 HG3 LYS 79 HG2 LYS 79 -14.774 0.072 -10.846 657 HD2 LYS 79 HD3 LYS 79 -11.893 0.538 -11.093 658 HD3 LYS 79 HD2 LYS 79 -12.538 -0.456 -12.400 659 HE2 LYS 79 HE3 LYS 79 -14.313 1.782 -11.781 660 HE3 LYS 79 HE2 LYS 79 -12.694 2.324 -12.265 661 HZ1 LYS 79 HZ1 LYS 79 -12.812 1.221 -14.261 662 HZ2 LYS 79 HZ2 LYS 79 -14.431 1.706 -14.080 663 HZ3 LYS 79 HZ3 LYS 79 -13.972 0.111 -13.716 664 H ILE 80 H ILE 80 -11.749 -2.398 -9.059 665 HA ILE 80 HA ILE 80 -10.777 -2.807 -6.250 666 HB ILE 80 HB ILE 80 -10.256 -4.402 -8.780 667 HG12 ILE 80 HG13 ILE 80 -11.688 -6.060 -7.230 668 HG13 ILE 80 HG12 ILE 80 -12.348 -4.529 -6.654 669 HG21 ILE 80 HG21 ILE 80 -8.593 -4.364 -6.743 670 HG22 ILE 80 HG22 ILE 80 -9.058 -5.909 -7.456 671 HG23 ILE 80 HG23 ILE 80 -9.824 -5.360 -5.965 672 HD11 ILE 80 HD11 ILE 80 -13.268 -3.989 -8.713 673 HD12 ILE 80 HD12 ILE 80 -13.407 -5.747 -8.760 674 HD13 ILE 80 HD13 ILE 80 -12.086 -4.944 -9.608 675 H ALA 81 H ALA 81 -8.606 -2.276 -5.809 676 HA ALA 81 HA ALA 81 -7.038 -1.059 -8.059 677 HB1 ALA 81 HB1 ALA 81 -6.930 0.907 -6.913 678 HB2 ALA 81 HB2 ALA 81 -6.685 0.091 -5.369 679 HB3 ALA 81 HB3 ALA 81 -8.314 0.282 -6.016 680 H LEU 82 H LEU 82 -4.700 -1.113 -7.701 681 HA LEU 82 HA LEU 82 -3.856 -3.296 -5.822 682 HB2 LEU 82 HB3 LEU 82 -3.682 -3.224 -8.516 683 HB3 LEU 82 HB2 LEU 82 -2.175 -2.397 -8.119 684 HG LEU 82 HG LEU 82 -1.758 -4.797 -8.297 685 HD11 LEU 82 HD11 LEU 82 -0.467 -4.945 -6.392 686 HD12 LEU 82 HD12 LEU 82 -1.774 -4.405 -5.338 687 HD13 LEU 82 HD13 LEU 82 -0.881 -3.233 -6.308 688 HD21 LEU 82 HD21 LEU 82 -3.314 -6.290 -7.645 689 HD22 LEU 82 HD22 LEU 82 -4.325 -4.960 -7.080 690 HD23 LEU 82 HD23 LEU 82 -3.181 -5.727 -5.979 691 H VAL 83 H VAL 83 -2.268 -2.750 -4.302 692 HA VAL 83 HA VAL 83 -1.069 -0.009 -4.555 693 HB VAL 83 HB VAL 83 -1.963 -1.525 -2.084 694 HG11 VAL 83 HG11 VAL 83 -1.665 0.888 -1.136 695 HG12 VAL 83 HG12 VAL 83 -0.633 1.140 -2.544 696 HG13 VAL 83 HG13 VAL 83 -0.229 -0.109 -1.366 697 HG21 VAL 83 HG21 VAL 83 -3.822 0.000 -2.012 698 HG22 VAL 83 HG22 VAL 83 -3.773 -0.656 -3.648 699 HG23 VAL 83 HG23 VAL 83 -3.158 0.966 -3.330 700 H HIS 84 H HIS 84 1.119 0.059 -4.438 701 HA HIS 84 HA HIS 84 2.585 -2.289 -3.282 702 HB2 HIS 84 HB3 HIS 84 2.730 -2.445 -5.672 703 HB3 HIS 84 HB2 HIS 84 3.009 -0.711 -5.833 704 HD1 HIS 84 HD1 HIS 84 4.729 -3.923 -4.986 705 HD2 HIS 84 HD2 HIS 84 5.669 0.134 -5.176 706 HE1 HIS 84 HE1 HIS 84 7.252 -3.765 -4.836 707 H LEU 85 H LEU 85 4.073 -1.644 -1.736 708 HA LEU 85 HA LEU 85 4.843 1.257 -1.708 709 HB2 LEU 85 HB3 LEU 85 4.501 1.254 0.646 710 HB3 LEU 85 HB2 LEU 85 3.129 0.360 -0.007 711 HG LEU 85 HG LEU 85 4.792 -1.704 0.314 712 HD11 LEU 85 HD11 LEU 85 6.105 0.496 1.650 713 HD12 LEU 85 HD12 LEU 85 6.668 -1.161 1.433 714 HD13 LEU 85 HD13 LEU 85 5.667 -0.744 2.824 715 HD21 LEU 85 HD21 LEU 85 3.122 -2.234 1.732 716 HD22 LEU 85 HD22 LEU 85 2.626 -0.542 1.767 717 HD23 LEU 85 HD23 LEU 85 3.794 -1.143 2.944 718 H GLU 86 H GLU 86 6.967 1.724 -0.961 719 HA GLU 86 HA GLU 86 8.806 -0.622 -0.641 720 HB2 GLU 86 HB3 GLU 86 8.648 0.734 -2.918 721 HB3 GLU 86 HB2 GLU 86 9.638 1.901 -2.041 722 HG2 GLU 86 HG3 GLU 86 10.570 -0.852 -1.693 723 HG3 GLU 86 HG2 GLU 86 10.592 -0.334 -3.379 724 H ALA 87 H ALA 87 10.111 -0.398 1.165 725 HA ALA 87 HA ALA 87 10.403 2.351 2.332 726 HB1 ALA 87 HB1 ALA 87 9.807 1.499 4.440 727 HB2 ALA 87 HB2 ALA 87 10.181 -0.161 3.978 728 HB3 ALA 87 HB3 ALA 87 8.727 0.621 3.357 729 H LYS 88 H LYS 88 12.379 2.693 3.505 730 HA LYS 88 HA LYS 88 14.552 0.738 2.836 731 HB2 LYS 88 HB3 LYS 88 14.914 2.822 1.743 732 HB3 LYS 88 HB2 LYS 88 14.414 3.741 3.163 733 HG2 LYS 88 HG3 LYS 88 16.403 2.780 4.384 734 HG3 LYS 88 HG2 LYS 88 16.937 2.094 2.850 735 HD2 LYS 88 HD3 LYS 88 18.071 4.209 3.149 736 HD3 LYS 88 HD2 LYS 88 16.870 4.414 1.874 737 HE2 LYS 88 HE3 LYS 88 15.465 5.711 3.218 738 HE3 LYS 88 HE2 LYS 88 16.106 5.020 4.723 739 HZ1 LYS 88 HZ1 LYS 88 17.065 7.172 4.461 740 HZ2 LYS 88 HZ2 LYS 88 17.503 6.855 2.850 741 HZ3 LYS 88 HZ3 LYS 88 18.280 6.038 4.121 742 H GLU 89 H GLU 89 15.945 0.092 4.524 743 HA GLU 89 HA GLU 89 14.917 0.466 7.259 744 HB2 GLU 89 HB3 GLU 89 16.445 -1.318 7.765 745 HB3 GLU 89 HB2 GLU 89 15.760 -1.690 6.183 746 HG2 GLU 89 HG3 GLU 89 17.930 -1.914 5.540 747 HG3 GLU 89 HG2 GLU 89 17.916 -0.152 5.485 748 H SER 90 H SER 90 15.898 1.722 8.831 749 HA SER 90 HA SER 90 18.450 3.121 8.089 750 HB2 SER 90 HB3 SER 90 15.787 4.076 8.807 751 HB3 SER 90 HB2 SER 90 17.021 4.737 9.874 752 HG SER 90 HG SER 90 16.711 4.985 7.093 753 H LYS 91 H LYS 91 20.050 2.966 9.651 754 HA LYS 91 HA LYS 91 21.081 2.440 11.716 755 HB2 LYS 91 HB3 LYS 91 18.781 3.904 12.190 756 HB3 LYS 91 HB2 LYS 91 18.550 2.498 13.224 757 HG2 LYS 91 HG3 LYS 91 20.988 4.305 13.191 758 HG3 LYS 91 HG2 LYS 91 19.748 4.264 14.444 759 HD2 LYS 91 HD3 LYS 91 21.069 1.679 13.766 760 HD3 LYS 91 HD2 LYS 91 22.029 2.864 14.652 761 HE2 LYS 91 HE3 LYS 91 20.267 3.027 16.376 762 HE3 LYS 91 HE2 LYS 91 19.294 1.835 15.494 763 HZ1 LYS 91 HZ1 LYS 91 20.732 0.854 17.257 764 HZ2 LYS 91 HZ2 LYS 91 22.091 1.361 16.372 765 HZ3 LYS 91 HZ3 LYS 91 21.018 0.224 15.709 766 H GLN 92 H GLN 92 19.347 1.009 13.838 767 HA GLN 92 HA GLN 92 20.068 -1.661 13.315 768 HB2 GLN 92 HB3 GLN 92 18.525 -2.156 15.142 769 HB3 GLN 92 HB2 GLN 92 19.330 -0.624 15.480 770 HG2 GLN 92 HG3 GLN 92 17.201 0.294 14.098 771 HG3 GLN 92 HG2 GLN 92 16.487 -1.159 14.798 772 HE21 GLN 92 HE21 GLN 92 16.583 2.011 15.434 773 HE22 GLN 92 HE22 GLN 92 16.678 2.003 17.128 774 H ASN 93 H ASN 93 17.820 -3.262 13.510 775 HA ASN 93 HA ASN 93 16.722 -3.071 10.771 776 HB2 ASN 93 HB3 ASN 93 16.099 -5.359 11.165 777 HB3 ASN 93 HB2 ASN 93 17.690 -5.148 11.898 778 HD21 ASN 93 HD21 ASN 93 14.212 -5.395 12.656 779 HD22 ASN 93 HD22 ASN 93 14.429 -5.772 14.297 780 H TYR 94 H TYR 94 15.825 -1.155 12.901 781 HA TYR 94 HA TYR 94 13.266 -1.826 13.953 782 HB2 TYR 94 HB3 TYR 94 15.020 0.306 13.966 783 HB3 TYR 94 HB2 TYR 94 13.654 0.952 13.057 784 HD1 TYR 94 HD1 TYR 94 12.107 2.102 14.350 785 HD2 TYR 94 HD2 TYR 94 14.108 -1.308 16.032 786 HE1 TYR 94 HE1 TYR 94 10.839 2.398 16.459 787 HE2 TYR 94 HE2 TYR 94 12.839 -1.009 18.142 788 HH TYR 94 HH TYR 94 10.261 0.339 18.560 789 H GLN 95 H GLN 95 11.553 0.181 12.926 790 HA GLN 95 HA GLN 95 10.454 -1.152 10.598 791 HB2 GLN 95 HB3 GLN 95 8.876 0.833 10.736 792 HB3 GLN 95 HB2 GLN 95 9.033 -0.085 12.235 793 HG2 GLN 95 HG3 GLN 95 9.832 1.718 13.319 794 HG3 GLN 95 HG2 GLN 95 11.083 1.948 12.096 795 HE21 GLN 95 HE21 GLN 95 10.067 4.286 13.037 796 HE22 GLN 95 HE22 GLN 95 8.978 4.984 11.938 797 HA PRO 96 HA PRO 96 12.736 1.149 7.587 798 HB2 PRO 96 HB3 PRO 96 11.322 0.350 5.388 799 HB3 PRO 96 HB2 PRO 96 12.479 -0.703 6.224 800 HG2 PRO 96 HG3 PRO 96 9.521 -0.707 6.302 801 HG3 PRO 96 HG2 PRO 96 10.659 -2.053 6.445 802 HD2 PRO 96 HD3 PRO 96 9.318 -0.840 8.556 803 HD3 PRO 96 HD2 PRO 96 10.764 -1.861 8.701 804 H ASP 97 H ASP 97 12.357 2.962 6.082 805 HA ASP 97 HA ASP 97 9.860 4.459 6.740 806 HB2 ASP 97 HB3 ASP 97 12.609 5.184 5.695 807 HB3 ASP 97 HB2 ASP 97 11.287 6.351 5.755 808 H PHE 98 H PHE 98 8.281 4.515 5.183 809 HA PHE 98 HA PHE 98 8.595 3.358 2.573 810 HB2 PHE 98 HB3 PHE 98 6.517 5.376 3.459 811 HB3 PHE 98 HB2 PHE 98 6.320 4.064 2.296 812 HD1 PHE 98 HD1 PHE 98 7.060 1.657 3.325 813 HD2 PHE 98 HD2 PHE 98 5.608 5.019 5.570 814 HE1 PHE 98 HE1 PHE 98 6.367 0.135 5.157 815 HE2 PHE 98 HE2 PHE 98 4.916 3.497 7.402 816 HZ PHE 98 HZ PHE 98 5.296 1.055 7.195 817 H ILE 99 H ILE 99 9.556 4.271 0.801 818 HA ILE 99 HA ILE 99 9.844 7.257 0.734 819 HB ILE 99 HB ILE 99 11.798 6.585 -0.828 820 HG12 ILE 99 HG13 ILE 99 11.441 3.940 0.606 821 HG13 ILE 99 HG12 ILE 99 10.890 4.209 -1.049 822 HG21 ILE 99 HG21 ILE 99 12.876 7.193 1.052 823 HG22 ILE 99 HG22 ILE 99 12.806 5.511 1.577 824 HG23 ILE 99 HG23 ILE 99 11.534 6.637 2.051 825 HD11 ILE 99 HD11 ILE 99 13.193 4.845 -1.701 826 HD12 ILE 99 HD12 ILE 99 13.136 3.208 -1.049 827 HD13 ILE 99 HD13 ILE 99 13.737 4.534 -0.053 828 H ASN 100 H ASN 100 8.567 4.473 -0.894 829 HA ASN 100 HA ASN 100 7.563 6.247 -3.069 830 HB2 ASN 100 HB3 ASN 100 9.226 3.734 -3.324 831 HB3 ASN 100 HB2 ASN 100 8.228 4.323 -4.653 832 HD21 ASN 100 HD21 ASN 100 11.240 4.766 -2.993 833 HD22 ASN 100 HD22 ASN 100 11.755 6.136 -3.852 834 H MET 101 H MET 101 5.404 5.850 -3.347 835 HA MET 101 HA MET 101 4.351 3.100 -2.972 836 HB2 MET 101 HB3 MET 101 4.370 4.927 -0.902 837 HB3 MET 101 HB2 MET 101 2.766 5.163 -1.598 838 HG2 MET 101 HG3 MET 101 3.011 2.414 -1.589 839 HG3 MET 101 HG2 MET 101 3.833 2.875 -0.098 840 HE1 MET 101 HE1 MET 101 1.487 1.172 -0.714 841 HE2 MET 101 HE2 MET 101 -0.060 1.665 -0.031 842 HE3 MET 101 HE3 MET 101 1.304 1.347 1.037 843 H TYR 102 H TYR 102 2.816 2.723 -4.533 844 HA TYR 102 HA TYR 102 1.179 4.987 -5.554 845 HB2 TYR 102 HB3 TYR 102 1.838 4.473 -7.863 846 HB3 TYR 102 HB2 TYR 102 3.271 4.840 -6.903 847 HD1 TYR 102 HD1 TYR 102 1.296 2.129 -8.472 848 HD2 TYR 102 HD2 TYR 102 4.913 3.149 -6.391 849 HE1 TYR 102 HE1 TYR 102 2.250 -0.089 -9.041 850 HE2 TYR 102 HE2 TYR 102 5.865 0.931 -6.959 851 HH TYR 102 HH TYR 102 5.533 -1.004 -7.982 852 H VAL 103 H VAL 103 -0.730 4.206 -6.730 853 HA VAL 103 HA VAL 103 -1.320 1.318 -6.185 854 HB VAL 103 HB VAL 103 -2.488 2.967 -4.733 855 HG11 VAL 103 HG11 VAL 103 -2.669 4.911 -6.061 856 HG12 VAL 103 HG12 VAL 103 -4.324 4.305 -5.987 857 HG13 VAL 103 HG13 VAL 103 -3.344 4.020 -7.426 858 HG21 VAL 103 HG21 VAL 103 -4.185 1.480 -6.758 859 HG22 VAL 103 HG22 VAL 103 -4.827 2.191 -5.277 860 HG23 VAL 103 HG23 VAL 103 -3.642 0.889 -5.187 861 H ASP 104 H ASP 104 -2.643 0.239 -7.775 862 HA ASP 104 HA ASP 104 -2.827 1.664 -10.413 863 HB2 ASP 104 HB3 ASP 104 -1.058 0.061 -10.523 864 HB3 ASP 104 HB2 ASP 104 -2.002 -1.145 -9.649 865 H VAL 105 H VAL 105 -4.980 1.955 -10.871 866 HA VAL 105 HA VAL 105 -6.889 -0.225 -10.088 867 HB VAL 105 HB VAL 105 -7.258 1.763 -8.782 868 HG11 VAL 105 HG11 VAL 105 -6.019 3.399 -10.015 869 HG12 VAL 105 HG12 VAL 105 -7.693 3.957 -10.010 870 HG13 VAL 105 HG13 VAL 105 -7.027 3.180 -11.446 871 HG21 VAL 105 HG21 VAL 105 -9.196 1.788 -11.119 872 HG22 VAL 105 HG22 VAL 105 -9.510 2.416 -9.502 873 HG23 VAL 105 HG23 VAL 105 -9.287 0.684 -9.747 874 HA PRO 106 HA PRO 106 -7.461 -0.605 -14.472 875 HB2 PRO 106 HB3 PRO 106 -10.005 -1.927 -13.784 876 HB3 PRO 106 HB2 PRO 106 -8.586 -2.590 -14.615 877 HG2 PRO 106 HG3 PRO 106 -9.273 -3.279 -12.097 878 HG3 PRO 106 HG2 PRO 106 -7.603 -3.269 -12.680 879 HD2 PRO 106 HD3 PRO 106 -8.991 -1.338 -10.903 880 HD3 PRO 106 HD2 PRO 106 -7.286 -1.841 -10.925 881 H GLY 107 H GLY 107 -8.419 0.837 -15.868 882 HA2 GLY 107 HA3 GLY 107 -10.176 2.161 -16.785 883 HA3 GLY 107 HA2 GLY 107 -11.134 1.844 -15.340 884 H GLU 108 H GLU 108 -8.623 2.630 -13.726 885 HA GLU 108 HA GLU 108 -9.009 5.594 -14.001 886 HB2 GLU 108 HB3 GLU 108 -8.883 3.680 -11.695 887 HB3 GLU 108 HB2 GLU 108 -8.335 5.338 -11.444 888 HG2 GLU 108 HG3 GLU 108 -11.021 4.638 -12.655 889 HG3 GLU 108 HG2 GLU 108 -10.784 4.958 -10.937 890 H LYS 109 H LYS 109 -7.103 6.898 -13.424 891 HA LYS 109 HA LYS 109 -4.603 5.704 -14.374 892 HB2 LYS 109 HB3 LYS 109 -5.807 8.307 -13.956 893 HB3 LYS 109 HB2 LYS 109 -4.174 8.278 -13.289 894 HG2 LYS 109 HG3 LYS 109 -3.816 6.961 -15.669 895 HG3 LYS 109 HG2 LYS 109 -5.057 8.137 -16.100 896 HD2 LYS 109 HD3 LYS 109 -2.573 8.936 -14.576 897 HD3 LYS 109 HD2 LYS 109 -2.609 8.896 -16.339 898 HE2 LYS 109 HE3 LYS 109 -4.933 10.272 -15.749 899 HE3 LYS 109 HE2 LYS 109 -3.810 10.855 -14.504 900 HZ1 LYS 109 HZ1 LYS 109 -3.670 12.043 -16.697 901 HZ2 LYS 109 HZ2 LYS 109 -3.066 10.602 -17.364 902 HZ3 LYS 109 HZ3 LYS 109 -2.206 11.398 -16.134 903 H ARG 110 H ARG 110 -2.727 5.363 -13.098 904 HA ARG 110 HA ARG 110 -3.130 4.591 -10.354 905 HB2 ARG 110 HB3 ARG 110 -0.611 4.348 -10.483 906 HB3 ARG 110 HB2 ARG 110 -1.488 3.523 -11.773 907 HG2 ARG 110 HG3 ARG 110 -0.277 4.687 -13.269 908 HG3 ARG 110 HG2 ARG 110 -1.057 6.160 -12.690 909 HD2 ARG 110 HD3 ARG 110 1.088 6.776 -12.147 910 HD3 ARG 110 HD2 ARG 110 0.825 5.740 -10.731 911 HE ARG 110 HE ARG 110 2.200 4.091 -11.734 912 HH11 ARG 110 HH11 ARG 110 1.214 6.516 -13.990 913 HH12 ARG 110 HH12 ARG 110 2.242 5.938 -15.256 914 HH21 ARG 110 HH21 ARG 110 3.547 3.332 -13.379 915 HH22 ARG 110 HH22 ARG 110 3.560 4.137 -14.913 916 H TYR 111 H TYR 111 -2.606 5.700 -8.462 917 HA TYR 111 HA TYR 111 -1.648 8.527 -8.781 918 HB2 TYR 111 HB3 TYR 111 -4.116 7.632 -7.943 919 HB3 TYR 111 HB2 TYR 111 -3.264 7.844 -6.413 920 HD1 TYR 111 HD1 TYR 111 -4.123 9.848 -5.511 921 HD2 TYR 111 HD2 TYR 111 -2.870 9.722 -9.618 922 HE1 TYR 111 HE1 TYR 111 -4.421 12.305 -5.678 923 HE2 TYR 111 HE2 TYR 111 -3.170 12.178 -9.786 924 HH TYR 111 HH TYR 111 -4.914 13.961 -7.727 925 H TYR 112 H TYR 112 0.216 8.946 -7.662 926 HA TYR 112 HA TYR 112 1.491 6.890 -6.049 927 HB2 TYR 112 HB3 TYR 112 2.029 9.725 -6.900 928 HB3 TYR 112 HB2 TYR 112 3.059 8.974 -5.681 929 HD1 TYR 112 HD1 TYR 112 1.950 8.860 -9.196 930 HD2 TYR 112 HD2 TYR 112 4.504 7.088 -6.230 931 HE1 TYR 112 HE1 TYR 112 3.181 7.651 -10.978 932 HE2 TYR 112 HE2 TYR 112 5.734 5.880 -8.013 933 HH TYR 112 HH TYR 112 5.992 6.540 -10.837 934 H LEU 113 H LEU 113 1.620 6.780 -3.802 935 HA LEU 113 HA LEU 113 -0.179 8.596 -2.273 936 HB2 LEU 113 HB3 LEU 113 0.337 5.845 -2.315 937 HB3 LEU 113 HB2 LEU 113 1.106 6.410 -0.831 938 HG LEU 113 HG LEU 113 -1.497 7.651 -1.216 939 HD11 LEU 113 HD11 LEU 113 -1.744 4.745 -0.584 940 HD12 LEU 113 HD12 LEU 113 -1.575 5.192 -2.282 941 HD13 LEU 113 HD13 LEU 113 -2.912 5.836 -1.330 942 HD21 LEU 113 HD21 LEU 113 -0.264 7.621 0.905 943 HD22 LEU 113 HD22 LEU 113 -0.305 5.858 0.924 944 HD23 LEU 113 HD23 LEU 113 -1.800 6.777 1.094 945 H ILE 114 H ILE 114 3.205 7.663 -2.589 946 HA ILE 114 HA ILE 114 3.904 9.657 -0.455 947 HB ILE 114 HB ILE 114 5.314 7.136 -1.393 948 HG12 ILE 114 HG13 ILE 114 3.745 7.844 1.102 949 HG13 ILE 114 HG12 ILE 114 3.393 6.564 -0.060 950 HG21 ILE 114 HG21 ILE 114 7.132 7.745 -0.174 951 HG22 ILE 114 HG22 ILE 114 6.147 8.429 1.119 952 HG23 ILE 114 HG23 ILE 114 6.491 9.381 -0.325 953 HD11 ILE 114 HD11 ILE 114 5.913 5.865 0.634 954 HD12 ILE 114 HD12 ILE 114 4.485 5.266 1.478 955 HD13 ILE 114 HD13 ILE 114 5.391 6.628 2.136 956 H LYS 115 H LYS 115 5.110 8.142 -3.470 957 HA LYS 115 HA LYS 115 7.262 9.749 -4.119 958 HB2 LYS 115 HB3 LYS 115 6.075 7.822 -5.372 959 HB3 LYS 115 HB2 LYS 115 5.084 9.084 -6.105 960 HG2 LYS 115 HG3 LYS 115 6.730 9.584 -7.553 961 HG3 LYS 115 HG2 LYS 115 7.848 9.872 -6.220 962 HD2 LYS 115 HD3 LYS 115 7.975 7.258 -6.107 963 HD3 LYS 115 HD2 LYS 115 7.357 7.336 -7.757 964 HE2 LYS 115 HE3 LYS 115 9.836 8.796 -6.772 965 HE3 LYS 115 HE2 LYS 115 9.845 7.304 -7.734 966 HZ1 LYS 115 HZ1 LYS 115 9.940 8.981 -9.329 967 HZ2 LYS 115 HZ2 LYS 115 8.847 9.981 -8.497 968 HZ3 LYS 115 HZ3 LYS 115 8.292 8.583 -9.287 Start of MODEL 3 1 H1 GLY 1 H GLY 1 1.435 -13.299 12.604 2 HA2 GLY 1 HA3 GLY 1 2.219 -13.158 9.899 3 HA3 GLY 1 HA2 GLY 1 1.045 -12.069 10.642 4 H SER 2 H SER 2 2.232 -10.389 12.184 5 HA SER 2 HA SER 2 3.738 -8.571 12.335 6 HB2 SER 2 HB3 SER 2 5.665 -10.000 10.559 7 HB3 SER 2 HB2 SER 2 5.950 -9.190 12.096 8 HG SER 2 HG SER 2 5.017 -10.931 13.146 9 H ASP 3 H ASP 3 4.522 -9.884 9.095 10 HA ASP 3 HA ASP 3 4.532 -7.322 7.816 11 HB2 ASP 3 HB3 ASP 3 5.236 -9.930 7.238 12 HB3 ASP 3 HB2 ASP 3 3.865 -9.663 6.161 13 H THR 4 H THR 4 1.985 -9.736 8.323 14 HA THR 4 HA THR 4 0.027 -8.791 6.510 15 HB THR 4 HB THR 4 -0.094 -10.018 9.278 16 HG1 THR 4 HG1 THR 4 0.453 -11.624 8.044 17 HG21 THR 4 HG21 THR 4 -2.211 -9.017 9.138 18 HG22 THR 4 HG22 THR 4 -2.494 -10.618 8.455 19 HG23 THR 4 HG23 THR 4 -2.297 -9.228 7.389 20 H GLN 5 H GLN 5 0.505 -7.861 9.943 21 HA GLN 5 HA GLN 5 -1.454 -5.753 9.928 22 HB2 GLN 5 HB3 GLN 5 1.039 -6.225 11.602 23 HB3 GLN 5 HB2 GLN 5 -0.266 -5.116 12.026 24 HG2 GLN 5 HG3 GLN 5 -1.838 -6.901 12.256 25 HG3 GLN 5 HG2 GLN 5 -0.741 -8.056 11.499 26 HE21 GLN 5 HE21 GLN 5 -0.238 -9.485 13.198 27 HE22 GLN 5 HE22 GLN 5 0.372 -8.998 14.705 28 H LEU 6 H LEU 6 1.941 -5.951 9.039 29 HA LEU 6 HA LEU 6 2.676 -3.220 8.987 30 HB2 LEU 6 HB3 LEU 6 3.881 -5.536 8.466 31 HB3 LEU 6 HB2 LEU 6 3.474 -5.114 6.802 32 HG LEU 6 HG LEU 6 4.786 -3.088 8.596 33 HD11 LEU 6 HD11 LEU 6 6.791 -4.207 6.993 34 HD12 LEU 6 HD12 LEU 6 5.933 -5.594 7.662 35 HD13 LEU 6 HD13 LEU 6 6.627 -4.384 8.741 36 HD21 LEU 6 HD21 LEU 6 4.614 -3.602 5.615 37 HD22 LEU 6 HD22 LEU 6 5.698 -2.402 6.319 38 HD23 LEU 6 HD23 LEU 6 3.953 -2.233 6.510 39 H PHE 7 H PHE 7 1.071 -5.203 6.485 40 HA PHE 7 HA PHE 7 0.806 -2.974 4.624 41 HB2 PHE 7 HB3 PHE 7 0.316 -4.692 3.212 42 HB3 PHE 7 HB2 PHE 7 0.749 -5.745 4.551 43 HD1 PHE 7 HD1 PHE 7 -2.182 -3.805 3.228 44 HD2 PHE 7 HD2 PHE 7 -0.816 -7.302 5.318 45 HE1 PHE 7 HE1 PHE 7 -4.504 -4.675 3.294 46 HE2 PHE 7 HE2 PHE 7 -3.139 -8.169 5.385 47 HZ PHE 7 HZ PHE 7 -4.983 -6.856 4.372 48 H ASN 8 H ASN 8 -1.217 -4.500 7.089 49 HA ASN 8 HA ASN 8 -3.759 -3.485 6.479 50 HB2 ASN 8 HB3 ASN 8 -2.213 -4.177 8.944 51 HB3 ASN 8 HB2 ASN 8 -3.765 -3.363 9.153 52 HD21 ASN 8 HD21 ASN 8 -2.341 -6.152 7.353 53 HD22 ASN 8 HD22 ASN 8 -3.731 -7.119 7.464 54 H ARG 9 H ARG 9 -1.244 -1.889 8.488 55 HA ARG 9 HA ARG 9 -2.674 0.561 8.866 56 HB2 ARG 9 HB3 ARG 9 -0.396 1.397 9.465 57 HB3 ARG 9 HB2 ARG 9 -0.758 -0.157 10.215 58 HG2 ARG 9 HG3 ARG 9 0.591 -1.344 8.653 59 HG3 ARG 9 HG2 ARG 9 0.698 0.048 7.576 60 HD2 ARG 9 HD3 ARG 9 1.829 0.030 10.395 61 HD3 ARG 9 HD2 ARG 9 2.790 -0.308 8.941 62 HE ARG 9 HE ARG 9 1.464 2.053 8.333 63 HH11 ARG 9 HH11 ARG 9 3.508 0.918 10.877 64 HH12 ARG 9 HH12 ARG 9 4.183 2.480 11.204 65 HH21 ARG 9 HH21 ARG 9 2.328 4.095 8.762 66 HH22 ARG 9 HH22 ARG 9 3.516 4.274 10.009 67 H ALA 10 H ALA 10 -0.583 -0.601 6.271 68 HA ALA 10 HA ALA 10 -0.284 1.960 4.939 69 HB1 ALA 10 HB1 ALA 10 1.156 0.710 3.708 70 HB2 ALA 10 HB2 ALA 10 -0.107 -0.447 3.285 71 HB3 ALA 10 HB3 ALA 10 0.771 -0.617 4.805 72 H VAL 11 H VAL 11 -2.529 -0.784 4.627 73 HA VAL 11 HA VAL 11 -3.871 0.246 2.276 74 HB VAL 11 HB VAL 11 -3.697 -2.120 3.685 75 HG11 VAL 11 HG11 VAL 11 -5.792 -2.707 4.617 76 HG12 VAL 11 HG12 VAL 11 -6.593 -1.298 3.922 77 HG13 VAL 11 HG13 VAL 11 -5.466 -1.099 5.264 78 HG21 VAL 11 HG21 VAL 11 -6.056 -2.066 1.984 79 HG22 VAL 11 HG22 VAL 11 -4.509 -2.873 1.727 80 HG23 VAL 11 HG23 VAL 11 -4.712 -1.186 1.258 81 H SER 12 H SER 12 -4.277 0.647 5.755 82 HA SER 12 HA SER 12 -6.923 1.685 5.826 83 HB2 SER 12 HB3 SER 12 -5.640 1.035 7.799 84 HB3 SER 12 HB2 SER 12 -4.442 2.282 7.467 85 HG SER 12 HG SER 12 -7.000 2.476 8.531 86 H MET 13 H MET 13 -3.810 3.435 5.536 87 HA MET 13 HA MET 13 -5.043 6.025 5.206 88 HB2 MET 13 HB3 MET 13 -2.767 6.726 4.739 89 HB3 MET 13 HB2 MET 13 -2.712 5.507 6.010 90 HG2 MET 13 HG3 MET 13 -1.209 4.430 4.714 91 HG3 MET 13 HG2 MET 13 -2.569 4.004 3.681 92 HE1 MET 13 HE1 MET 13 0.104 6.765 4.461 93 HE2 MET 13 HE2 MET 13 0.896 6.749 2.888 94 HE3 MET 13 HE3 MET 13 0.766 5.257 3.816 95 H VAL 14 H VAL 14 -4.137 3.445 2.975 96 HA VAL 14 HA VAL 14 -4.341 5.059 0.563 97 HB VAL 14 HB VAL 14 -4.271 2.110 1.231 98 HG11 VAL 14 HG11 VAL 14 -5.106 3.418 -1.253 99 HG12 VAL 14 HG12 VAL 14 -5.230 1.724 -0.783 100 HG13 VAL 14 HG13 VAL 14 -3.732 2.337 -1.483 101 HG21 VAL 14 HG21 VAL 14 -2.170 2.853 -0.460 102 HG22 VAL 14 HG22 VAL 14 -2.066 2.603 1.282 103 HG23 VAL 14 HG23 VAL 14 -2.349 4.221 0.640 104 H GLU 15 H GLU 15 -6.524 2.797 2.263 105 HA GLU 15 HA GLU 15 -8.654 3.027 0.301 106 HB2 GLU 15 HB3 GLU 15 -9.831 1.627 1.842 107 HB3 GLU 15 HB2 GLU 15 -8.138 1.151 1.971 108 HG2 GLU 15 HG3 GLU 15 -8.286 1.544 4.183 109 HG3 GLU 15 HG2 GLU 15 -8.435 3.259 3.798 110 H LYS 16 H LYS 16 -7.655 4.930 3.046 111 HA LYS 16 HA LYS 16 -10.286 6.333 3.147 112 HB2 LYS 16 HB3 LYS 16 -9.541 7.089 5.279 113 HB3 LYS 16 HB2 LYS 16 -8.959 5.429 5.169 114 HG2 LYS 16 HG3 LYS 16 -6.979 6.407 5.790 115 HG3 LYS 16 HG2 LYS 16 -6.857 6.704 4.055 116 HD2 LYS 16 HD3 LYS 16 -8.358 8.846 4.836 117 HD3 LYS 16 HD2 LYS 16 -7.346 8.611 6.261 118 HE2 LYS 16 HE3 LYS 16 -5.391 9.117 5.126 119 HE3 LYS 16 HE2 LYS 16 -6.017 8.523 3.575 120 HZ1 LYS 16 HZ1 LYS 16 -6.272 10.748 3.240 121 HZ2 LYS 16 HZ2 LYS 16 -6.455 11.100 4.891 122 HZ3 LYS 16 HZ3 LYS 16 -7.751 10.441 4.012 123 H ASN 17 H ASN 17 -7.120 6.641 1.845 124 HA ASN 17 HA ASN 17 -6.471 9.330 1.870 125 HB2 ASN 17 HB3 ASN 17 -5.746 7.065 0.490 126 HB3 ASN 17 HB2 ASN 17 -6.387 8.084 -0.800 127 HD21 ASN 17 HD21 ASN 17 -4.797 9.375 -1.715 128 HD22 ASN 17 HD22 ASN 17 -3.459 10.015 -0.891 129 H LYS 18 H LYS 18 -7.458 11.182 1.182 130 HA LYS 18 HA LYS 18 -10.124 11.206 0.099 131 HB2 LYS 18 HB3 LYS 18 -7.991 13.369 0.132 132 HB3 LYS 18 HB2 LYS 18 -9.733 13.624 0.022 133 HG2 LYS 18 HG3 LYS 18 -10.084 12.790 2.242 134 HG3 LYS 18 HG2 LYS 18 -8.429 12.192 2.346 135 HD2 LYS 18 HD3 LYS 18 -7.526 14.389 2.454 136 HD3 LYS 18 HD2 LYS 18 -9.042 15.120 1.925 137 HE2 LYS 18 HE3 LYS 18 -10.079 14.785 4.013 138 HE3 LYS 18 HE2 LYS 18 -8.931 13.513 4.480 139 HZ1 LYS 18 HZ1 LYS 18 -7.173 15.319 4.213 140 HZ2 LYS 18 HZ2 LYS 18 -8.164 15.404 5.590 141 HZ3 LYS 18 HZ3 LYS 18 -8.457 16.426 4.265 142 H ASP 19 H ASP 19 -6.919 11.762 -1.337 143 HA ASP 19 HA ASP 19 -7.739 12.501 -3.957 144 HB2 ASP 19 HB3 ASP 19 -5.313 10.924 -3.034 145 HB3 ASP 19 HB2 ASP 19 -5.434 11.846 -4.534 146 H ILE 20 H ILE 20 -6.872 9.265 -2.683 147 HA ILE 20 HA ILE 20 -7.463 7.859 -5.126 148 HB ILE 20 HB ILE 20 -7.424 6.945 -2.229 149 HG12 ILE 20 HG13 ILE 20 -5.355 8.119 -2.982 150 HG13 ILE 20 HG12 ILE 20 -5.072 6.407 -2.661 151 HG21 ILE 20 HG21 ILE 20 -6.766 4.751 -3.310 152 HG22 ILE 20 HG22 ILE 20 -7.210 5.461 -4.863 153 HG23 ILE 20 HG23 ILE 20 -8.433 5.243 -3.610 154 HD11 ILE 20 HD11 ILE 20 -5.443 5.981 -5.128 155 HD12 ILE 20 HD12 ILE 20 -3.999 6.923 -4.757 156 HD13 ILE 20 HD13 ILE 20 -5.446 7.728 -5.361 157 H ARG 21 H ARG 21 -9.397 8.695 -2.265 158 HA ARG 21 HA ARG 21 -11.676 7.095 -2.669 159 HB2 ARG 21 HB3 ARG 21 -11.578 8.413 -0.718 160 HB3 ARG 21 HB2 ARG 21 -11.157 9.872 -1.615 161 HG2 ARG 21 HG3 ARG 21 -13.773 8.657 -2.304 162 HG3 ARG 21 HG2 ARG 21 -13.660 9.365 -0.693 163 HD2 ARG 21 HD3 ARG 21 -12.453 11.322 -2.145 164 HD3 ARG 21 HD2 ARG 21 -13.611 10.707 -3.340 165 HE ARG 21 HE ARG 21 -14.294 12.005 -0.789 166 HH11 ARG 21 HH11 ARG 21 -15.271 9.938 -3.386 167 HH12 ARG 21 HH12 ARG 21 -16.961 10.220 -3.140 168 HH21 ARG 21 HH21 ARG 21 -16.494 12.382 -0.473 169 HH22 ARG 21 HH22 ARG 21 -17.652 11.598 -1.495 170 H SER 22 H SER 22 -10.770 10.167 -4.225 171 HA SER 22 HA SER 22 -13.188 10.522 -5.741 172 HB2 SER 22 HB3 SER 22 -11.976 12.288 -6.684 173 HB3 SER 22 HB2 SER 22 -11.097 12.042 -5.179 174 HG SER 22 HG SER 22 -10.407 11.375 -7.805 175 H LEU 23 H LEU 23 -10.056 9.009 -6.504 176 HA LEU 23 HA LEU 23 -10.644 8.269 -9.207 177 HB2 LEU 23 HB3 LEU 23 -8.894 6.821 -7.195 178 HB3 LEU 23 HB2 LEU 23 -8.690 6.862 -8.945 179 HG LEU 23 HG LEU 23 -8.284 9.117 -6.973 180 HD11 LEU 23 HD11 LEU 23 -6.602 7.296 -8.489 181 HD12 LEU 23 HD12 LEU 23 -6.154 8.420 -7.207 182 HD13 LEU 23 HD13 LEU 23 -6.233 8.976 -8.879 183 HD21 LEU 23 HD21 LEU 23 -9.567 10.043 -8.823 184 HD22 LEU 23 HD22 LEU 23 -8.530 9.231 -9.996 185 HD23 LEU 23 HD23 LEU 23 -7.884 10.540 -9.005 186 H LEU 24 H LEU 24 -11.090 6.558 -6.113 187 HA LEU 24 HA LEU 24 -12.331 4.242 -7.467 188 HB2 LEU 24 HB3 LEU 24 -11.119 4.941 -4.902 189 HB3 LEU 24 HB2 LEU 24 -12.611 4.022 -4.694 190 HG LEU 24 HG LEU 24 -11.522 2.572 -6.669 191 HD11 LEU 24 HD11 LEU 24 -9.259 2.732 -6.882 192 HD12 LEU 24 HD12 LEU 24 -9.023 3.015 -5.156 193 HD13 LEU 24 HD13 LEU 24 -9.488 4.348 -6.213 194 HD21 LEU 24 HD21 LEU 24 -11.968 2.275 -3.946 195 HD22 LEU 24 HD22 LEU 24 -10.254 1.893 -4.111 196 HD23 LEU 24 HD23 LEU 24 -11.451 0.993 -5.042 197 H GLN 25 H GLN 25 -13.335 7.262 -6.260 198 HA GLN 25 HA GLN 25 -15.488 8.176 -5.926 199 HB2 GLN 25 HB3 GLN 25 -16.440 5.562 -7.122 200 HB3 GLN 25 HB2 GLN 25 -17.216 7.143 -7.227 201 HG2 GLN 25 HG3 GLN 25 -15.250 7.981 -8.514 202 HG3 GLN 25 HG2 GLN 25 -14.575 6.350 -8.487 203 HE21 GLN 25 HE21 GLN 25 -15.662 4.688 -9.762 204 HE22 GLN 25 HE22 GLN 25 -16.797 5.094 -10.956 205 H CYS 26 H CYS 26 -14.219 6.365 -3.890 206 HA CYS 26 HA CYS 26 -16.430 4.861 -2.678 207 HB2 CYS 26 HB3 CYS 26 -13.545 5.471 -2.107 208 HB3 CYS 26 HB2 CYS 26 -14.548 4.798 -0.822 209 HG CYS 26 HG CYS 26 -14.858 3.185 -3.369 210 H ASP 27 H ASP 27 -16.182 5.447 0.013 211 HA ASP 27 HA ASP 27 -16.854 8.364 0.205 212 HB2 ASP 27 HB3 ASP 27 -18.446 5.948 0.670 213 HB3 ASP 27 HB2 ASP 27 -18.449 7.034 2.059 214 H ASP 28 H ASP 28 -16.795 9.089 2.569 215 HA ASP 28 HA ASP 28 -15.449 7.537 4.581 216 HB2 ASP 28 HB3 ASP 28 -13.844 8.438 2.456 217 HB3 ASP 28 HB2 ASP 28 -13.494 9.535 3.791 218 H GLY 29 H GLY 29 -17.119 8.644 5.814 219 HA2 GLY 29 HA3 GLY 29 -16.235 11.222 6.873 220 HA3 GLY 29 HA2 GLY 29 -17.757 11.310 5.983 221 H ILE 30 H ILE 30 -17.705 11.904 8.702 222 HA ILE 30 HA ILE 30 -18.231 9.760 10.492 223 HB ILE 30 HB ILE 30 -17.819 12.140 11.073 224 HG12 ILE 30 HG13 ILE 30 -20.470 11.915 12.254 225 HG13 ILE 30 HG12 ILE 30 -19.625 10.367 12.275 226 HG21 ILE 30 HG21 ILE 30 -19.543 13.808 10.744 227 HG22 ILE 30 HG22 ILE 30 -20.658 12.596 10.113 228 HG23 ILE 30 HG23 ILE 30 -19.225 13.042 9.186 229 HD11 ILE 30 HD11 ILE 30 -19.222 11.927 14.279 230 HD12 ILE 30 HD12 ILE 30 -18.283 12.922 13.166 231 HD13 ILE 30 HD13 ILE 30 -17.791 11.259 13.492 232 H THR 31 H THR 31 -20.248 11.270 8.043 233 HA THR 31 HA THR 31 -22.740 10.084 9.050 234 HB THR 31 HB THR 31 -22.674 12.263 7.917 235 HG1 THR 31 HG1 THR 31 -24.253 11.794 6.330 236 HG21 THR 31 HG21 THR 31 -21.455 12.630 6.057 237 HG22 THR 31 HG22 THR 31 -22.193 11.261 5.227 238 HG23 THR 31 HG23 THR 31 -20.798 11.009 6.275 239 H GLY 32 H GLY 32 -20.129 9.075 7.031 240 HA2 GLY 32 HA3 GLY 32 -21.297 6.473 6.616 241 HA3 GLY 32 HA2 GLY 32 -21.368 7.423 5.132 242 H LYS 33 H LYS 33 -19.527 5.193 6.675 243 HA LYS 33 HA LYS 33 -16.976 6.237 5.489 244 HB2 LYS 33 HB3 LYS 33 -17.437 4.270 7.754 245 HB3 LYS 33 HB2 LYS 33 -15.879 4.923 7.246 246 HG2 LYS 33 HG3 LYS 33 -16.390 6.347 9.010 247 HG3 LYS 33 HG2 LYS 33 -17.071 7.246 7.653 248 HD2 LYS 33 HD3 LYS 33 -19.194 6.967 8.389 249 HD3 LYS 33 HD2 LYS 33 -18.923 5.265 8.771 250 HE2 LYS 33 HE3 LYS 33 -17.762 7.454 10.506 251 HE3 LYS 33 HE2 LYS 33 -19.400 6.824 10.774 252 HZ1 LYS 33 HZ1 LYS 33 -17.441 5.639 11.922 253 HZ2 LYS 33 HZ2 LYS 33 -17.125 4.985 10.386 254 HZ3 LYS 33 HZ3 LYS 33 -18.615 4.692 11.148 255 H GLU 34 H GLU 34 -16.389 5.118 3.679 256 HA GLU 34 HA GLU 34 -17.698 2.658 2.875 257 HB2 GLU 34 HB3 GLU 34 -16.971 4.214 1.214 258 HB3 GLU 34 HB2 GLU 34 -15.348 4.294 1.898 259 HG2 GLU 34 HG3 GLU 34 -14.678 2.513 0.694 260 HG3 GLU 34 HG2 GLU 34 -16.054 1.558 1.248 261 H ARG 35 H ARG 35 -16.880 0.549 2.964 262 HA ARG 35 HA ARG 35 -14.404 0.174 4.611 263 HB2 ARG 35 HB3 ARG 35 -16.486 -0.618 5.625 264 HB3 ARG 35 HB2 ARG 35 -16.871 -1.538 4.170 265 HG2 ARG 35 HG3 ARG 35 -15.890 -2.964 5.966 266 HG3 ARG 35 HG2 ARG 35 -14.910 -2.955 4.499 267 HD2 ARG 35 HD3 ARG 35 -13.360 -1.349 5.472 268 HD3 ARG 35 HD2 ARG 35 -14.392 -1.171 6.906 269 HE ARG 35 HE ARG 35 -13.924 -3.916 6.694 270 HH11 ARG 35 HH11 ARG 35 -12.048 -1.027 6.961 271 HH12 ARG 35 HH12 ARG 35 -10.749 -1.796 7.808 272 HH21 ARG 35 HH21 ARG 35 -12.230 -4.928 7.794 273 HH22 ARG 35 HH22 ARG 35 -10.851 -3.999 8.279 274 H LEU 36 H LEU 36 -12.711 -0.360 3.293 275 HA LEU 36 HA LEU 36 -13.257 -2.048 0.880 276 HB2 LEU 36 HB3 LEU 36 -10.867 -0.304 1.554 277 HB3 LEU 36 HB2 LEU 36 -11.264 -0.997 -0.021 278 HG LEU 36 HG LEU 36 -12.885 1.073 1.492 279 HD11 LEU 36 HD11 LEU 36 -12.373 2.270 -0.794 280 HD12 LEU 36 HD12 LEU 36 -11.026 1.132 -0.866 281 HD13 LEU 36 HD13 LEU 36 -11.155 2.262 0.482 282 HD21 LEU 36 HD21 LEU 36 -14.351 1.048 -0.496 283 HD22 LEU 36 HD22 LEU 36 -14.321 -0.534 0.280 284 HD23 LEU 36 HD23 LEU 36 -13.390 -0.256 -1.191 285 H LYS 37 H LYS 37 -12.033 -3.956 0.599 286 HA LYS 37 HA LYS 37 -10.376 -4.775 2.966 287 HB2 LYS 37 HB3 LYS 37 -12.558 -6.002 1.406 288 HB3 LYS 37 HB2 LYS 37 -11.200 -7.083 1.723 289 HG2 LYS 37 HG3 LYS 37 -11.516 -7.039 4.009 290 HG3 LYS 37 HG2 LYS 37 -12.201 -5.413 3.987 291 HD2 LYS 37 HD3 LYS 37 -14.071 -6.760 2.536 292 HD3 LYS 37 HD2 LYS 37 -13.543 -8.027 3.645 293 HE2 LYS 37 HE3 LYS 37 -13.969 -5.390 4.919 294 HE3 LYS 37 HE2 LYS 37 -15.437 -6.163 4.287 295 HZ1 LYS 37 HZ1 LYS 37 -13.470 -7.802 5.725 296 HZ2 LYS 37 HZ2 LYS 37 -15.151 -8.008 5.589 297 HZ3 LYS 37 HZ3 LYS 37 -14.519 -6.821 6.628 298 H ALA 38 H ALA 38 -8.273 -5.289 2.516 299 HA ALA 38 HA ALA 38 -7.532 -5.835 -0.342 300 HB1 ALA 38 HB1 ALA 38 -6.023 -4.348 1.835 301 HB2 ALA 38 HB2 ALA 38 -6.848 -3.602 0.467 302 HB3 ALA 38 HB3 ALA 38 -5.434 -4.620 0.194 303 H TYR 39 H TYR 39 -5.530 -7.191 -0.527 304 HA TYR 39 HA TYR 39 -4.778 -8.750 1.879 305 HB2 TYR 39 HB3 TYR 39 -5.306 -10.863 0.464 306 HB3 TYR 39 HB2 TYR 39 -6.663 -10.008 1.195 307 HD1 TYR 39 HD1 TYR 39 -8.349 -8.991 -0.143 308 HD2 TYR 39 HD2 TYR 39 -4.733 -10.425 -1.962 309 HE1 TYR 39 HE1 TYR 39 -9.342 -8.645 -2.389 310 HE2 TYR 39 HE2 TYR 39 -5.726 -10.080 -4.209 311 HH TYR 39 HH TYR 39 -8.850 -8.493 -4.611 312 H GLY 40 H GLY 40 -2.844 -10.064 1.483 313 HA2 GLY 40 HA3 GLY 40 -0.877 -8.817 -0.129 314 HA3 GLY 40 HA2 GLY 40 -0.734 -10.447 0.529 315 H GLU 41 H GLU 41 0.313 -11.025 -1.527 316 HA GLU 41 HA GLU 41 -1.294 -10.929 -3.989 317 HB2 GLU 41 HB3 GLU 41 0.724 -11.925 -4.952 318 HB3 GLU 41 HB2 GLU 41 1.187 -10.614 -3.866 319 HG2 GLU 41 HG3 GLU 41 1.798 -12.142 -2.131 320 HG3 GLU 41 HG2 GLU 41 1.043 -13.499 -2.968 321 H LEU 42 H LEU 42 -0.541 -13.460 -5.061 322 HA LEU 42 HA LEU 42 -1.320 -15.687 -5.163 323 HB2 LEU 42 HB3 LEU 42 0.114 -15.778 -3.133 324 HB3 LEU 42 HB2 LEU 42 -1.276 -15.316 -2.149 325 HG LEU 42 HG LEU 42 -2.331 -17.410 -3.525 326 HD11 LEU 42 HD11 LEU 42 0.417 -18.417 -2.857 327 HD12 LEU 42 HD12 LEU 42 0.138 -17.659 -4.425 328 HD13 LEU 42 HD13 LEU 42 -0.779 -19.092 -3.962 329 HD21 LEU 42 HD21 LEU 42 -0.659 -17.872 -1.052 330 HD22 LEU 42 HD22 LEU 42 -2.212 -18.593 -1.475 331 HD23 LEU 42 HD23 LEU 42 -2.127 -16.898 -0.995 332 H ILE 43 H ILE 43 -3.382 -16.226 -5.753 333 HA ILE 43 HA ILE 43 -5.631 -15.564 -3.917 334 HB ILE 43 HB ILE 43 -6.836 -14.500 -5.777 335 HG12 ILE 43 HG13 ILE 43 -4.812 -14.065 -7.678 336 HG13 ILE 43 HG12 ILE 43 -4.718 -15.783 -7.293 337 HG21 ILE 43 HG21 ILE 43 -5.655 -12.463 -5.757 338 HG22 ILE 43 HG22 ILE 43 -4.086 -13.268 -5.750 339 HG23 ILE 43 HG23 ILE 43 -5.084 -13.269 -4.296 340 HD11 ILE 43 HD11 ILE 43 -7.300 -15.767 -7.553 341 HD12 ILE 43 HD12 ILE 43 -6.322 -15.698 -9.019 342 HD13 ILE 43 HD13 ILE 43 -7.060 -14.229 -8.382 343 H THR 44 H THR 44 -7.749 -16.465 -5.148 344 HA THR 44 HA THR 44 -7.294 -18.844 -6.795 345 HB THR 44 HB THR 44 -8.161 -19.079 -3.893 346 HG1 THR 44 HG1 THR 44 -6.079 -19.105 -3.654 347 HG21 THR 44 HG21 THR 44 -8.458 -21.374 -4.258 348 HG22 THR 44 HG22 THR 44 -7.502 -21.359 -5.740 349 HG23 THR 44 HG23 THR 44 -9.123 -20.664 -5.730 350 H ASN 45 H ASN 45 -9.504 -17.077 -4.632 351 HA ASN 45 HA ASN 45 -11.851 -16.757 -4.772 352 HB2 ASN 45 HB3 ASN 45 -10.596 -16.430 -7.468 353 HB3 ASN 45 HB2 ASN 45 -12.357 -16.378 -7.372 354 HD21 ASN 45 HD21 ASN 45 -9.456 -14.576 -6.771 355 HD22 ASN 45 HD22 ASN 45 -10.192 -13.227 -6.049 356 H ASP 46 H ASP 46 -11.159 -19.524 -4.588 357 HA ASP 46 HA ASP 46 -13.410 -20.713 -6.139 358 HB2 ASP 46 HB3 ASP 46 -10.769 -20.952 -6.861 359 HB3 ASP 46 HB2 ASP 46 -11.006 -22.383 -5.860 360 H LYS 47 H LYS 47 -12.728 -19.956 -3.300 361 HA LYS 47 HA LYS 47 -13.138 -20.823 -1.135 362 HB2 LYS 47 HB3 LYS 47 -14.549 -22.682 -3.040 363 HB3 LYS 47 HB2 LYS 47 -14.568 -23.010 -1.308 364 HG2 LYS 47 HG3 LYS 47 -16.464 -21.688 -1.501 365 HG3 LYS 47 HG2 LYS 47 -15.248 -20.454 -1.163 366 HD2 LYS 47 HD3 LYS 47 -16.141 -19.495 -3.045 367 HD3 LYS 47 HD2 LYS 47 -15.005 -20.580 -3.848 368 HE2 LYS 47 HE3 LYS 47 -16.803 -21.452 -4.932 369 HE3 LYS 47 HE2 LYS 47 -17.273 -22.169 -3.378 370 HZ1 LYS 47 HZ1 LYS 47 -17.842 -19.332 -3.780 371 HZ2 LYS 47 HZ2 LYS 47 -18.730 -20.504 -2.931 372 HZ3 LYS 47 HZ3 LYS 47 -18.812 -20.433 -4.627 373 H TRP 48 H TRP 48 -12.833 -23.061 0.142 374 HA TRP 48 HA TRP 48 -11.228 -24.634 0.879 375 HB2 TRP 48 HB3 TRP 48 -11.170 -25.011 -2.132 376 HB3 TRP 48 HB2 TRP 48 -10.517 -26.162 -0.966 377 HD1 TRP 48 HD1 TRP 48 -12.457 -26.846 1.034 378 HE1 TRP 48 HE1 TRP 48 -14.897 -27.559 0.602 379 HE3 TRP 48 HE3 TRP 48 -13.119 -24.927 -3.650 380 HZ2 TRP 48 HZ2 TRP 48 -16.871 -27.342 -1.461 381 HZ3 TRP 48 HZ3 TRP 48 -15.284 -25.193 -4.826 382 HH2 TRP 48 HH2 TRP 48 -17.160 -26.396 -3.738 383 H THR 49 H THR 49 -10.121 -22.179 0.974 384 HA THR 49 HA THR 49 -7.437 -22.472 -0.341 385 HB THR 49 HB THR 49 -7.414 -20.046 -0.448 386 HG1 THR 49 HG1 THR 49 -9.475 -19.036 0.339 387 HG21 THR 49 HG21 THR 49 -9.048 -19.749 -2.079 388 HG22 THR 49 HG22 THR 49 -10.250 -20.681 -1.187 389 HG23 THR 49 HG23 THR 49 -8.935 -21.508 -2.021 390 H ARG 50 H ARG 50 -5.962 -23.071 1.211 391 HA ARG 50 HA ARG 50 -6.330 -22.947 4.018 392 HB2 ARG 50 HB3 ARG 50 -4.194 -23.446 2.061 393 HB3 ARG 50 HB2 ARG 50 -3.597 -22.828 3.602 394 HG2 ARG 50 HG3 ARG 50 -5.544 -24.711 4.309 395 HG3 ARG 50 HG2 ARG 50 -4.669 -25.458 2.971 396 HD2 ARG 50 HD3 ARG 50 -3.336 -26.089 4.792 397 HD3 ARG 50 HD2 ARG 50 -2.542 -24.578 4.311 398 HE ARG 50 HE ARG 50 -4.493 -23.680 6.008 399 HH11 ARG 50 HH11 ARG 50 -2.119 -26.185 6.200 400 HH12 ARG 50 HH12 ARG 50 -1.958 -26.076 7.921 401 HH21 ARG 50 HH21 ARG 50 -4.297 -23.539 8.254 402 HH22 ARG 50 HH22 ARG 50 -3.188 -24.580 9.081 403 H ASN 51 H ASN 51 -4.037 -21.653 5.024 404 HA ASN 51 HA ASN 51 -4.605 -18.769 4.411 405 HB2 ASN 51 HB3 ASN 51 -4.671 -20.379 6.877 406 HB3 ASN 51 HB2 ASN 51 -3.777 -18.867 7.039 407 HD21 ASN 51 HD21 ASN 51 -6.475 -19.235 4.763 408 HD22 ASN 51 HD22 ASN 51 -7.536 -18.195 5.584 409 H ARG 52 H ARG 52 -2.784 -17.855 3.555 410 HA ARG 52 HA ARG 52 -0.115 -18.897 4.436 411 HB2 ARG 52 HB3 ARG 52 -0.863 -19.100 2.018 412 HB3 ARG 52 HB2 ARG 52 -0.847 -17.338 1.940 413 HG2 ARG 52 HG3 ARG 52 1.297 -17.817 1.184 414 HG3 ARG 52 HG2 ARG 52 1.596 -17.633 2.914 415 HD2 ARG 52 HD3 ARG 52 1.253 -20.145 3.138 416 HD3 ARG 52 HD2 ARG 52 1.278 -20.223 1.365 417 HE ARG 52 HE ARG 52 3.512 -18.709 2.488 418 HH11 ARG 52 HH11 ARG 52 2.265 -21.801 1.587 419 HH12 ARG 52 HH12 ARG 52 3.829 -22.505 1.347 420 HH21 ARG 52 HH21 ARG 52 5.557 -19.619 2.177 421 HH22 ARG 52 HH22 ARG 52 5.690 -21.272 1.679 422 HA PRO 53 HA PRO 53 0.289 -14.928 6.387 423 HB2 PRO 53 HB3 PRO 53 2.961 -15.160 6.997 424 HB3 PRO 53 HB2 PRO 53 1.667 -15.926 7.941 425 HG2 PRO 53 HG3 PRO 53 3.484 -17.105 5.911 426 HG3 PRO 53 HG2 PRO 53 2.841 -17.814 7.399 427 HD2 PRO 53 HD3 PRO 53 1.881 -18.395 4.912 428 HD3 PRO 53 HD2 PRO 53 0.904 -18.493 6.392 429 H ILE 54 H ILE 54 1.483 -12.914 5.971 430 HA ILE 54 HA ILE 54 2.145 -12.558 3.145 431 HB ILE 54 HB ILE 54 2.132 -10.793 5.611 432 HG12 ILE 54 HG13 ILE 54 -0.074 -11.509 4.848 433 HG13 ILE 54 HG12 ILE 54 0.151 -9.809 4.434 434 HG21 ILE 54 HG21 ILE 54 2.892 -10.206 2.754 435 HG22 ILE 54 HG22 ILE 54 3.710 -9.716 4.239 436 HG23 ILE 54 HG23 ILE 54 2.193 -8.949 3.774 437 HD11 ILE 54 HD11 ILE 54 -0.621 -10.605 2.403 438 HD12 ILE 54 HD12 ILE 54 0.083 -12.204 2.645 439 HD13 ILE 54 HD13 ILE 54 1.112 -10.849 2.182 440 H VAL 55 H VAL 55 4.184 -12.716 2.298 441 HA VAL 55 HA VAL 55 6.494 -12.919 4.176 442 HB VAL 55 HB VAL 55 5.991 -14.725 2.529 443 HG11 VAL 55 HG11 VAL 55 5.743 -12.434 0.786 444 HG12 VAL 55 HG12 VAL 55 5.304 -14.112 0.475 445 HG13 VAL 55 HG13 VAL 55 6.943 -13.554 0.142 446 HG21 VAL 55 HG21 VAL 55 8.288 -14.512 3.217 447 HG22 VAL 55 HG22 VAL 55 8.541 -13.133 2.146 448 HG23 VAL 55 HG23 VAL 55 8.299 -14.743 1.469 449 H SER 56 H SER 56 8.412 -11.651 3.760 450 HA SER 56 HA SER 56 7.934 -9.230 2.051 451 HB2 SER 56 HB3 SER 56 9.735 -8.433 3.923 452 HB3 SER 56 HB2 SER 56 7.993 -8.304 4.148 453 HG SER 56 HG SER 56 8.647 -9.422 5.886 454 H THR 57 H THR 57 9.769 -8.422 0.905 455 HA THR 57 HA THR 57 11.876 -10.471 0.433 456 HB THR 57 HB THR 57 12.123 -9.372 -1.684 457 HG1 THR 57 HG1 THR 57 12.169 -7.251 -0.988 458 HG21 THR 57 HG21 THR 57 9.192 -8.948 -1.196 459 HG22 THR 57 HG22 THR 57 9.866 -10.574 -1.071 460 HG23 THR 57 HG23 THR 57 9.995 -9.680 -2.585 461 H LYS 58 H LYS 58 14.115 -9.889 0.569 462 HA LYS 58 HA LYS 58 14.665 -7.285 1.960 463 HB2 LYS 58 HB3 LYS 58 16.248 -8.507 3.334 464 HB3 LYS 58 HB2 LYS 58 14.719 -9.386 3.363 465 HG2 LYS 58 HG3 LYS 58 15.989 -10.450 1.148 466 HG3 LYS 58 HG2 LYS 58 17.318 -10.207 2.281 467 HD2 LYS 58 HD3 LYS 58 14.730 -11.551 3.083 468 HD3 LYS 58 HD2 LYS 58 16.111 -12.450 2.453 469 HE2 LYS 58 HE3 LYS 58 17.429 -11.076 4.315 470 HE3 LYS 58 HE2 LYS 58 15.823 -11.019 5.067 471 HZ1 LYS 58 HZ1 LYS 58 15.817 -13.219 5.421 472 HZ2 LYS 58 HZ2 LYS 58 17.500 -13.132 5.206 473 HZ3 LYS 58 HZ3 LYS 58 16.498 -13.574 3.909 474 H LYS 59 H LYS 59 16.297 -6.072 1.054 475 HA LYS 59 HA LYS 59 18.277 -7.381 -0.745 476 HB2 LYS 59 HB3 LYS 59 16.051 -5.554 -1.466 477 HB3 LYS 59 HB2 LYS 59 17.609 -5.180 -2.202 478 HG2 LYS 59 HG3 LYS 59 17.674 -7.148 -3.406 479 HG3 LYS 59 HG2 LYS 59 16.712 -8.030 -2.219 480 HD2 LYS 59 HD3 LYS 59 15.008 -6.011 -3.143 481 HD3 LYS 59 HD2 LYS 59 15.833 -6.593 -4.590 482 HE2 LYS 59 HE3 LYS 59 14.622 -8.504 -2.575 483 HE3 LYS 59 HE2 LYS 59 13.693 -7.860 -3.945 484 HZ1 LYS 59 HZ1 LYS 59 16.393 -8.970 -4.358 485 HZ2 LYS 59 HZ2 LYS 59 15.126 -8.797 -5.478 486 HZ3 LYS 59 HZ3 LYS 59 15.052 -10.008 -4.288 487 H LEU 60 H LEU 60 20.269 -6.555 -0.223 488 HA LEU 60 HA LEU 60 20.380 -3.913 1.181 489 HB2 LEU 60 HB3 LEU 60 22.611 -4.822 1.937 490 HB3 LEU 60 HB2 LEU 60 21.235 -5.806 2.440 491 HG LEU 60 HG LEU 60 22.206 -6.587 -0.194 492 HD11 LEU 60 HD11 LEU 60 24.115 -6.802 2.156 493 HD12 LEU 60 HD12 LEU 60 24.365 -5.807 0.722 494 HD13 LEU 60 HD13 LEU 60 24.337 -7.565 0.582 495 HD21 LEU 60 HD21 LEU 60 21.156 -7.722 2.262 496 HD22 LEU 60 HD22 LEU 60 22.547 -8.648 1.697 497 HD23 LEU 60 HD23 LEU 60 21.158 -8.406 0.636 498 H ASP 61 H ASP 61 21.536 -2.242 0.246 499 HA ASP 61 HA ASP 61 22.596 -2.669 -2.489 500 HB2 ASP 61 HB3 ASP 61 21.589 -0.460 -0.790 501 HB3 ASP 61 HB2 ASP 61 22.870 -0.015 -1.917 502 H LYS 62 H LYS 62 24.609 -1.006 -2.812 503 HA LYS 62 HA LYS 62 26.899 -2.205 -1.655 504 HB2 LYS 62 HB3 LYS 62 27.118 -1.013 -3.681 505 HB3 LYS 62 HB2 LYS 62 26.260 0.392 -3.051 506 HG2 LYS 62 HG3 LYS 62 28.553 -0.029 -1.399 507 HG3 LYS 62 HG2 LYS 62 29.079 -0.095 -3.079 508 HD2 LYS 62 HD3 LYS 62 27.311 2.102 -1.974 509 HD3 LYS 62 HD2 LYS 62 29.067 2.229 -2.090 510 HE2 LYS 62 HE3 LYS 62 27.679 1.345 -4.568 511 HE3 LYS 62 HE2 LYS 62 27.423 3.033 -4.088 512 HZ1 LYS 62 HZ1 LYS 62 30.073 1.697 -4.240 513 HZ2 LYS 62 HZ2 LYS 62 29.787 3.330 -3.867 514 HZ3 LYS 62 HZ3 LYS 62 29.453 2.740 -5.425 515 H GLU 63 H GLU 63 24.787 0.297 -0.433 516 HA GLU 63 HA GLU 63 26.692 1.334 1.534 517 HB2 GLU 63 HB3 GLU 63 23.858 1.728 0.700 518 HB3 GLU 63 HB2 GLU 63 24.276 2.212 2.344 519 HG2 GLU 63 HG3 GLU 63 26.379 3.155 0.722 520 HG3 GLU 63 HG2 GLU 63 24.898 3.536 -0.155 521 H GLY 64 H GLY 64 24.715 -1.444 1.335 522 HA2 GLY 64 HA3 GLY 64 24.591 -3.185 2.957 523 HA3 GLY 64 HA2 GLY 64 25.288 -2.087 4.149 524 H ARG 65 H ARG 65 22.851 -0.471 2.542 525 HA ARG 65 HA ARG 65 21.101 -0.508 4.869 526 HB2 ARG 65 HB3 ARG 65 21.646 1.367 3.169 527 HB3 ARG 65 HB2 ARG 65 20.485 0.563 2.112 528 HG2 ARG 65 HG3 ARG 65 18.802 1.573 3.207 529 HG3 ARG 65 HG2 ARG 65 19.294 0.760 4.694 530 HD2 ARG 65 HD3 ARG 65 19.256 3.309 4.829 531 HD3 ARG 65 HD2 ARG 65 20.813 2.570 5.257 532 HE ARG 65 HE ARG 65 20.896 2.967 2.478 533 HH11 ARG 65 HH11 ARG 65 20.519 4.845 5.353 534 HH12 ARG 65 HH12 ARG 65 21.264 6.256 4.681 535 HH21 ARG 65 HH21 ARG 65 21.859 4.802 1.592 536 HH22 ARG 65 HH22 ARG 65 22.021 6.232 2.555 537 H THR 66 H THR 66 19.480 -1.978 5.213 538 HA THR 66 HA THR 66 18.826 -3.995 3.202 539 HB THR 66 HB THR 66 17.884 -3.294 5.991 540 HG1 THR 66 HG1 THR 66 19.565 -4.462 6.380 541 HG21 THR 66 HG21 THR 66 17.072 -5.921 5.258 542 HG22 THR 66 HG22 THR 66 16.483 -4.820 4.012 543 HG23 THR 66 HG23 THR 66 16.049 -4.555 5.701 544 H HIS 67 H HIS 67 17.016 -4.022 1.877 545 HA HIS 67 HA HIS 67 15.082 -1.744 2.167 546 HB2 HIS 67 HB3 HIS 67 16.337 -3.138 -0.201 547 HB3 HIS 67 HB2 HIS 67 14.873 -2.172 -0.381 548 HD1 HIS 67 HD1 HIS 67 18.450 -1.848 -0.466 549 HD2 HIS 67 HD2 HIS 67 15.326 0.592 0.824 550 HE1 HIS 67 HE1 HIS 67 19.386 0.500 -0.326 551 H HIS 68 H HIS 68 12.893 -2.278 2.132 552 HA HIS 68 HA HIS 68 12.225 -5.191 1.841 553 HB2 HIS 68 HB3 HIS 68 11.952 -4.549 4.114 554 HB3 HIS 68 HB2 HIS 68 11.254 -2.990 3.673 555 HD1 HIS 68 HD1 HIS 68 8.860 -3.063 4.379 556 HD2 HIS 68 HD2 HIS 68 10.035 -6.630 2.570 557 HE1 HIS 68 HE1 HIS 68 6.781 -4.499 4.211 558 H TYR 69 H TYR 69 10.444 -5.693 0.536 559 HA TYR 69 HA TYR 69 9.015 -3.388 -0.752 560 HB2 TYR 69 HB3 TYR 69 10.021 -5.988 -1.957 561 HB3 TYR 69 HB2 TYR 69 9.085 -4.773 -2.825 562 HD1 TYR 69 HD1 TYR 69 12.169 -5.055 -0.704 563 HD2 TYR 69 HD2 TYR 69 10.222 -3.117 -4.007 564 HE1 TYR 69 HE1 TYR 69 14.249 -3.796 -1.192 565 HE2 TYR 69 HE2 TYR 69 12.303 -1.858 -4.495 566 HH TYR 69 HH TYR 69 15.231 -2.678 -3.439 567 H MET 70 H MET 70 6.838 -3.527 -0.375 568 HA MET 70 HA MET 70 5.619 -6.251 -0.078 569 HB2 MET 70 HB3 MET 70 6.038 -5.100 2.103 570 HB3 MET 70 HB2 MET 70 5.027 -3.760 1.555 571 HG2 MET 70 HG3 MET 70 3.249 -4.882 2.368 572 HG3 MET 70 HG2 MET 70 3.494 -6.062 1.079 573 HE1 MET 70 HE1 MET 70 4.162 -8.871 1.938 574 HE2 MET 70 HE2 MET 70 5.849 -8.554 2.334 575 HE3 MET 70 HE3 MET 70 5.079 -7.670 1.019 576 H ARG 71 H ARG 71 3.621 -6.466 -1.117 577 HA ARG 71 HA ARG 71 2.229 -4.031 -2.102 578 HB2 ARG 71 HB3 ARG 71 2.290 -4.982 -4.422 579 HB3 ARG 71 HB2 ARG 71 3.893 -4.571 -3.811 580 HG2 ARG 71 HG3 ARG 71 4.330 -6.889 -3.235 581 HG3 ARG 71 HG2 ARG 71 2.679 -7.344 -3.660 582 HD2 ARG 71 HD3 ARG 71 3.095 -7.260 -5.929 583 HD3 ARG 71 HD2 ARG 71 4.295 -5.962 -5.764 584 HE ARG 71 HE ARG 71 5.478 -8.063 -4.433 585 HH11 ARG 71 HH11 ARG 71 4.022 -7.648 -7.538 586 HH12 ARG 71 HH12 ARG 71 5.022 -8.833 -8.308 587 HH21 ARG 71 HH21 ARG 71 6.782 -9.618 -5.426 588 HH22 ARG 71 HH22 ARG 71 6.583 -9.947 -7.115 589 H PHE 72 H PHE 72 0.010 -4.402 -2.424 590 HA PHE 72 HA PHE 72 -1.045 -7.162 -2.449 591 HB2 PHE 72 HB3 PHE 72 -2.496 -6.518 -0.420 592 HB3 PHE 72 HB2 PHE 72 -0.796 -6.858 -0.095 593 HD1 PHE 72 HD1 PHE 72 0.524 -5.263 1.007 594 HD2 PHE 72 HD2 PHE 72 -3.118 -4.028 -0.906 595 HE1 PHE 72 HE1 PHE 72 0.800 -2.986 1.952 596 HE2 PHE 72 HE2 PHE 72 -2.842 -1.752 0.037 597 HZ PHE 72 HZ PHE 72 -0.884 -1.231 1.467 598 H HIS 73 H HIS 73 -3.264 -7.201 -3.162 599 HA HIS 73 HA HIS 73 -4.086 -4.763 -4.618 600 HB2 HIS 73 HB3 HIS 73 -5.189 -7.586 -4.459 601 HB3 HIS 73 HB2 HIS 73 -5.741 -6.351 -5.590 602 HD1 HIS 73 HD1 HIS 73 -4.320 -5.917 -7.653 603 HD2 HIS 73 HD2 HIS 73 -2.459 -8.472 -4.936 604 HE1 HIS 73 HE1 HIS 73 -2.269 -6.835 -8.822 605 H VAL 74 H VAL 74 -6.265 -3.890 -4.389 606 HA VAL 74 HA VAL 74 -7.533 -4.466 -1.729 607 HB VAL 74 HB VAL 74 -7.433 -1.788 -3.139 608 HG11 VAL 74 HG11 VAL 74 -8.801 -2.749 -0.881 609 HG12 VAL 74 HG12 VAL 74 -8.589 -1.060 -1.344 610 HG13 VAL 74 HG13 VAL 74 -7.449 -1.820 -0.235 611 HG21 VAL 74 HG21 VAL 74 -5.215 -1.734 -2.699 612 HG22 VAL 74 HG22 VAL 74 -5.294 -3.243 -1.789 613 HG23 VAL 74 HG23 VAL 74 -5.648 -1.712 -0.989 614 H GLU 75 H GLU 75 -9.720 -4.892 -1.860 615 HA GLU 75 HA GLU 75 -11.030 -4.552 -4.527 616 HB2 GLU 75 HB3 GLU 75 -10.743 -6.713 -2.855 617 HB3 GLU 75 HB2 GLU 75 -12.342 -6.125 -2.401 618 HG2 GLU 75 HG3 GLU 75 -13.132 -6.281 -4.664 619 HG3 GLU 75 HG2 GLU 75 -11.504 -6.585 -5.273 620 H SER 76 H SER 76 -12.444 -2.859 -4.673 621 HA SER 76 HA SER 76 -13.755 -1.888 -2.155 622 HB2 SER 76 HB3 SER 76 -12.919 -0.513 -4.723 623 HB3 SER 76 HB2 SER 76 -13.882 0.272 -3.476 624 HG SER 76 HG SER 76 -11.297 -0.872 -3.178 625 H LYS 77 H LYS 77 -15.983 -1.021 -2.489 626 HA LYS 77 HA LYS 77 -17.647 -2.842 -3.987 627 HB2 LYS 77 HB3 LYS 77 -18.027 -0.254 -2.477 628 HB3 LYS 77 HB2 LYS 77 -19.381 -1.045 -3.282 629 HG2 LYS 77 HG3 LYS 77 -17.582 -2.341 -1.213 630 HG3 LYS 77 HG2 LYS 77 -19.214 -1.741 -0.911 631 HD2 LYS 77 HD3 LYS 77 -19.674 -3.324 -3.071 632 HD3 LYS 77 HD2 LYS 77 -18.335 -4.195 -2.321 633 HE2 LYS 77 HE3 LYS 77 -20.228 -5.117 -1.244 634 HE3 LYS 77 HE2 LYS 77 -19.713 -3.860 -0.103 635 HZ1 LYS 77 HZ1 LYS 77 -21.321 -2.395 -0.849 636 HZ2 LYS 77 HZ2 LYS 77 -22.154 -3.874 -0.893 637 HZ3 LYS 77 HZ3 LYS 77 -21.536 -3.201 -2.325 638 H LYS 78 H LYS 78 -15.947 0.005 -4.880 639 HA LYS 78 HA LYS 78 -17.778 0.581 -7.157 640 HB2 LYS 78 HB3 LYS 78 -15.259 1.992 -6.223 641 HB3 LYS 78 HB2 LYS 78 -16.492 2.636 -7.309 642 HG2 LYS 78 HG3 LYS 78 -17.617 1.686 -4.781 643 HG3 LYS 78 HG2 LYS 78 -16.433 2.972 -4.552 644 HD2 LYS 78 HD3 LYS 78 -17.720 4.535 -5.625 645 HD3 LYS 78 HD2 LYS 78 -18.381 3.361 -6.761 646 HE2 LYS 78 HE3 LYS 78 -19.170 3.000 -3.911 647 HE3 LYS 78 HE2 LYS 78 -19.862 4.399 -4.754 648 HZ1 LYS 78 HZ1 LYS 78 -20.393 2.879 -6.620 649 HZ2 LYS 78 HZ2 LYS 78 -21.243 2.513 -5.194 650 HZ3 LYS 78 HZ3 LYS 78 -19.907 1.570 -5.659 651 H LYS 79 H LYS 79 -14.579 -0.716 -6.432 652 HA LYS 79 HA LYS 79 -14.341 -2.025 -8.979 653 HB2 LYS 79 HB3 LYS 79 -13.972 0.679 -9.149 654 HB3 LYS 79 HB2 LYS 79 -12.317 0.132 -8.873 655 HG2 LYS 79 HG3 LYS 79 -12.242 -0.322 -11.085 656 HG3 LYS 79 HG2 LYS 79 -13.297 -1.690 -10.729 657 HD2 LYS 79 HD3 LYS 79 -14.388 -0.445 -12.459 658 HD3 LYS 79 HD2 LYS 79 -15.257 -0.078 -10.969 659 HE2 LYS 79 HE3 LYS 79 -14.934 2.097 -11.649 660 HE3 LYS 79 HE2 LYS 79 -13.333 1.865 -10.918 661 HZ1 LYS 79 HZ1 LYS 79 -12.466 1.129 -13.009 662 HZ2 LYS 79 HZ2 LYS 79 -13.235 2.623 -13.262 663 HZ3 LYS 79 HZ3 LYS 79 -13.999 1.179 -13.731 664 H ILE 80 H ILE 80 -11.535 -2.026 -9.246 665 HA ILE 80 HA ILE 80 -10.618 -3.036 -6.570 666 HB ILE 80 HB ILE 80 -10.124 -4.170 -9.344 667 HG12 ILE 80 HG13 ILE 80 -11.704 -5.412 -7.083 668 HG13 ILE 80 HG12 ILE 80 -12.467 -4.390 -8.301 669 HG21 ILE 80 HG21 ILE 80 -8.457 -5.354 -8.402 670 HG22 ILE 80 HG22 ILE 80 -9.577 -5.985 -7.194 671 HG23 ILE 80 HG23 ILE 80 -8.705 -4.482 -6.890 672 HD11 ILE 80 HD11 ILE 80 -11.845 -7.149 -8.509 673 HD12 ILE 80 HD12 ILE 80 -10.761 -6.300 -9.610 674 HD13 ILE 80 HD13 ILE 80 -12.506 -6.099 -9.761 675 H ALA 81 H ALA 81 -8.502 -2.460 -6.011 676 HA ALA 81 HA ALA 81 -6.871 -1.022 -8.072 677 HB1 ALA 81 HB1 ALA 81 -8.333 0.272 -6.222 678 HB2 ALA 81 HB2 ALA 81 -6.760 0.868 -6.752 679 HB3 ALA 81 HB3 ALA 81 -6.896 -0.050 -5.252 680 H LEU 82 H LEU 82 -4.563 -1.021 -7.571 681 HA LEU 82 HA LEU 82 -3.761 -3.214 -5.684 682 HB2 LEU 82 HB3 LEU 82 -3.408 -3.761 -8.031 683 HB3 LEU 82 HB2 LEU 82 -2.603 -2.218 -8.309 684 HG LEU 82 HG LEU 82 -1.109 -4.298 -7.989 685 HD11 LEU 82 HD11 LEU 82 -0.350 -2.254 -5.961 686 HD12 LEU 82 HD12 LEU 82 -0.649 -1.676 -7.601 687 HD13 LEU 82 HD13 LEU 82 0.584 -2.902 -7.311 688 HD21 LEU 82 HD21 LEU 82 -2.614 -4.766 -5.808 689 HD22 LEU 82 HD22 LEU 82 -1.344 -3.798 -5.060 690 HD23 LEU 82 HD23 LEU 82 -0.931 -5.283 -5.916 691 H VAL 83 H VAL 83 -2.356 -2.600 -4.050 692 HA VAL 83 HA VAL 83 -1.213 0.167 -4.205 693 HB VAL 83 HB VAL 83 -2.049 -1.624 -1.909 694 HG11 VAL 83 HG11 VAL 83 -0.061 0.407 -1.936 695 HG12 VAL 83 HG12 VAL 83 -0.750 -0.408 -0.532 696 HG13 VAL 83 HG13 VAL 83 -1.477 1.083 -1.131 697 HG21 VAL 83 HG21 VAL 83 -3.875 -0.500 -3.140 698 HG22 VAL 83 HG22 VAL 83 -3.072 1.053 -2.912 699 HG23 VAL 83 HG23 VAL 83 -3.700 0.171 -1.520 700 H HIS 84 H HIS 84 0.974 0.287 -4.366 701 HA HIS 84 HA HIS 84 2.619 -2.049 -3.444 702 HB2 HIS 84 HB3 HIS 84 2.359 -1.429 -5.963 703 HB3 HIS 84 HB2 HIS 84 3.395 -0.054 -5.575 704 HD1 HIS 84 HD1 HIS 84 4.487 -2.195 -7.469 705 HD2 HIS 84 HD2 HIS 84 5.023 -2.330 -3.337 706 HE1 HIS 84 HE1 HIS 84 6.524 -3.643 -7.058 707 H LEU 85 H LEU 85 4.034 -1.512 -1.797 708 HA LEU 85 HA LEU 85 4.787 1.379 -1.501 709 HB2 LEU 85 HB3 LEU 85 4.479 1.105 0.894 710 HB3 LEU 85 HB2 LEU 85 3.021 0.532 0.083 711 HG LEU 85 HG LEU 85 4.531 -1.750 0.133 712 HD11 LEU 85 HD11 LEU 85 5.923 -0.058 1.816 713 HD12 LEU 85 HD12 LEU 85 5.989 -1.819 1.869 714 HD13 LEU 85 HD13 LEU 85 4.890 -0.945 2.935 715 HD21 LEU 85 HD21 LEU 85 2.121 -1.307 0.846 716 HD22 LEU 85 HD22 LEU 85 2.763 -0.874 2.430 717 HD23 LEU 85 HD23 LEU 85 2.987 -2.508 1.804 718 H GLU 86 H GLU 86 6.904 1.761 -0.716 719 HA GLU 86 HA GLU 86 8.699 -0.643 -0.586 720 HB2 GLU 86 HB3 GLU 86 8.624 1.361 -2.488 721 HB3 GLU 86 HB2 GLU 86 9.859 1.950 -1.374 722 HG2 GLU 86 HG3 GLU 86 10.720 -0.551 -1.513 723 HG3 GLU 86 HG2 GLU 86 9.849 -0.534 -3.047 724 H ALA 87 H ALA 87 9.831 -0.775 1.335 725 HA ALA 87 HA ALA 87 9.860 1.664 3.081 726 HB1 ALA 87 HB1 ALA 87 10.118 -1.246 3.885 727 HB2 ALA 87 HB2 ALA 87 8.560 -0.434 3.735 728 HB3 ALA 87 HB3 ALA 87 9.735 0.126 4.926 729 H LYS 88 H LYS 88 11.829 2.382 3.833 730 HA LYS 88 HA LYS 88 14.255 0.760 3.127 731 HB2 LYS 88 HB3 LYS 88 14.100 2.680 1.696 732 HB3 LYS 88 HB2 LYS 88 13.654 3.728 3.042 733 HG2 LYS 88 HG3 LYS 88 16.065 2.700 3.893 734 HG3 LYS 88 HG2 LYS 88 16.318 2.852 2.155 735 HD2 LYS 88 HD3 LYS 88 16.938 4.924 3.410 736 HD3 LYS 88 HD2 LYS 88 15.664 5.197 2.220 737 HE2 LYS 88 HE3 LYS 88 14.015 5.470 3.846 738 HE3 LYS 88 HE2 LYS 88 14.884 4.481 5.036 739 HZ1 LYS 88 HZ1 LYS 88 15.555 7.214 4.106 740 HZ2 LYS 88 HZ2 LYS 88 16.664 6.236 4.942 741 HZ3 LYS 88 HZ3 LYS 88 15.214 6.711 5.689 742 H GLU 89 H GLU 89 15.759 0.501 4.785 743 HA GLU 89 HA GLU 89 15.009 1.618 7.453 744 HB2 GLU 89 HB3 GLU 89 16.417 -0.259 8.270 745 HB3 GLU 89 HB2 GLU 89 15.154 -0.830 7.179 746 HG2 GLU 89 HG3 GLU 89 16.753 -1.775 5.911 747 HG3 GLU 89 HG2 GLU 89 17.349 -0.158 5.534 748 H SER 90 H SER 90 16.332 3.147 8.376 749 HA SER 90 HA SER 90 18.866 3.835 6.960 750 HB2 SER 90 HB3 SER 90 18.580 5.961 8.234 751 HB3 SER 90 HB2 SER 90 17.162 5.569 7.263 752 HG SER 90 HG SER 90 16.315 5.978 9.210 753 H LYS 91 H LYS 91 20.756 3.179 7.864 754 HA LYS 91 HA LYS 91 22.300 2.377 9.451 755 HB2 LYS 91 HB3 LYS 91 21.705 4.812 10.057 756 HB3 LYS 91 HB2 LYS 91 20.744 4.131 11.363 757 HG2 LYS 91 HG3 LYS 91 23.723 3.813 10.920 758 HG3 LYS 91 HG2 LYS 91 22.923 4.627 12.264 759 HD2 LYS 91 HD3 LYS 91 21.802 2.328 12.709 760 HD3 LYS 91 HD2 LYS 91 23.077 1.676 11.680 761 HE2 LYS 91 HE3 LYS 91 23.642 3.453 14.073 762 HE3 LYS 91 HE2 LYS 91 23.647 1.680 14.150 763 HZ1 LYS 91 HZ1 LYS 91 25.178 1.736 12.195 764 HZ2 LYS 91 HZ2 LYS 91 25.851 2.354 13.628 765 HZ3 LYS 91 HZ3 LYS 91 25.316 3.412 12.411 766 H GLN 92 H GLN 92 19.704 2.804 11.861 767 HA GLN 92 HA GLN 92 19.035 -0.046 11.891 768 HB2 GLN 92 HB3 GLN 92 21.394 0.450 12.967 769 HB3 GLN 92 HB2 GLN 92 20.429 1.003 14.337 770 HG2 GLN 92 HG3 GLN 92 19.744 -1.106 14.870 771 HG3 GLN 92 HG2 GLN 92 19.588 -1.586 13.180 772 HE21 GLN 92 HE21 GLN 92 22.034 -1.434 12.082 773 HE22 GLN 92 HE22 GLN 92 23.194 -2.315 12.955 774 H ASN 93 H ASN 93 17.037 1.529 11.643 775 HA ASN 93 HA ASN 93 16.072 2.349 14.363 776 HB2 ASN 93 HB3 ASN 93 16.114 3.564 11.732 777 HB3 ASN 93 HB2 ASN 93 14.455 3.439 12.319 778 HD21 ASN 93 HD21 ASN 93 17.428 3.895 14.278 779 HD22 ASN 93 HD22 ASN 93 16.960 5.394 14.921 780 H TYR 94 H TYR 94 15.462 -0.010 14.631 781 HA TYR 94 HA TYR 94 13.900 -1.788 14.490 782 HB2 TYR 94 HB3 TYR 94 12.750 0.468 15.313 783 HB3 TYR 94 HB2 TYR 94 11.866 0.301 13.797 784 HD1 TYR 94 HD1 TYR 94 13.100 -2.100 16.409 785 HD2 TYR 94 HD2 TYR 94 9.774 -0.668 14.101 786 HE1 TYR 94 HE1 TYR 94 11.642 -3.818 17.445 787 HE2 TYR 94 HE2 TYR 94 8.315 -2.386 15.135 788 HH TYR 94 HH TYR 94 8.252 -4.200 16.435 789 H GLN 95 H GLN 95 11.388 -1.279 12.748 790 HA GLN 95 HA GLN 95 12.386 -2.598 10.362 791 HB2 GLN 95 HB3 GLN 95 9.808 -1.631 11.498 792 HB3 GLN 95 HB2 GLN 95 9.860 -1.880 9.753 793 HG2 GLN 95 HG3 GLN 95 9.465 -4.062 10.204 794 HG3 GLN 95 HG2 GLN 95 11.142 -4.129 10.746 795 HE21 GLN 95 HE21 GLN 95 11.525 -4.426 12.986 796 HE22 GLN 95 HE22 GLN 95 10.290 -4.502 14.149 797 HA PRO 96 HA PRO 96 13.338 0.792 7.777 798 HB2 PRO 96 HB3 PRO 96 12.106 -0.039 5.413 799 HB3 PRO 96 HB2 PRO 96 13.714 -0.544 5.958 800 HG2 PRO 96 HG3 PRO 96 11.139 -1.987 6.083 801 HG3 PRO 96 HG2 PRO 96 12.785 -2.616 5.920 802 HD2 PRO 96 HD3 PRO 96 11.338 -2.730 8.230 803 HD3 PRO 96 HD2 PRO 96 13.112 -2.697 8.180 804 H ASP 97 H ASP 97 12.268 2.539 6.443 805 HA ASP 97 HA ASP 97 9.436 2.935 7.340 806 HB2 ASP 97 HB3 ASP 97 11.873 4.594 7.100 807 HB3 ASP 97 HB2 ASP 97 10.387 5.385 6.571 808 H PHE 98 H PHE 98 7.881 3.466 5.787 809 HA PHE 98 HA PHE 98 8.207 2.627 3.096 810 HB2 PHE 98 HB3 PHE 98 6.263 4.657 4.242 811 HB3 PHE 98 HB2 PHE 98 6.013 3.659 2.809 812 HD1 PHE 98 HD1 PHE 98 6.539 1.024 3.309 813 HD2 PHE 98 HD2 PHE 98 5.197 3.929 6.174 814 HE1 PHE 98 HE1 PHE 98 5.631 -0.796 4.727 815 HE2 PHE 98 HE2 PHE 98 4.289 2.110 7.593 816 HZ PHE 98 HZ PHE 98 4.505 -0.252 6.870 817 H ILE 99 H ILE 99 9.153 3.632 1.380 818 HA ILE 99 HA ILE 99 9.712 6.572 1.581 819 HB ILE 99 HB ILE 99 11.620 5.862 -0.025 820 HG12 ILE 99 HG13 ILE 99 11.109 3.148 1.201 821 HG13 ILE 99 HG12 ILE 99 10.457 3.582 -0.381 822 HG21 ILE 99 HG21 ILE 99 11.595 4.805 2.818 823 HG22 ILE 99 HG22 ILE 99 11.952 6.469 2.353 824 HG23 ILE 99 HG23 ILE 99 13.034 5.165 1.863 825 HD11 ILE 99 HD11 ILE 99 12.671 3.994 -1.257 826 HD12 ILE 99 HD12 ILE 99 12.689 2.411 -0.478 827 HD13 ILE 99 HD13 ILE 99 13.391 3.806 0.342 828 H ASN 100 H ASN 100 8.366 3.973 -0.310 829 HA ASN 100 HA ASN 100 7.481 5.960 -2.367 830 HB2 ASN 100 HB3 ASN 100 8.809 3.259 -2.723 831 HB3 ASN 100 HB2 ASN 100 7.942 4.067 -4.029 832 HD21 ASN 100 HD21 ASN 100 11.005 3.561 -3.226 833 HD22 ASN 100 HD22 ASN 100 11.708 5.062 -3.594 834 H MET 101 H MET 101 5.276 5.787 -2.696 835 HA MET 101 HA MET 101 3.944 3.160 -2.277 836 HB2 MET 101 HB3 MET 101 4.088 4.514 -0.121 837 HB3 MET 101 HB2 MET 101 3.040 5.701 -0.899 838 HG2 MET 101 HG3 MET 101 1.252 4.466 -0.325 839 HG3 MET 101 HG2 MET 101 1.862 3.150 -1.328 840 HE1 MET 101 HE1 MET 101 1.093 1.262 -0.213 841 HE2 MET 101 HE2 MET 101 0.149 2.141 0.987 842 HE3 MET 101 HE3 MET 101 1.228 0.846 1.501 843 H TYR 102 H TYR 102 2.604 2.889 -4.016 844 HA TYR 102 HA TYR 102 1.007 5.196 -4.995 845 HB2 TYR 102 HB3 TYR 102 1.806 4.891 -7.267 846 HB3 TYR 102 HB2 TYR 102 3.212 5.071 -6.217 847 HD1 TYR 102 HD1 TYR 102 1.112 2.609 -8.042 848 HD2 TYR 102 HD2 TYR 102 4.776 3.286 -5.906 849 HE1 TYR 102 HE1 TYR 102 1.961 0.404 -8.798 850 HE2 TYR 102 HE2 TYR 102 5.624 1.082 -6.661 851 HH TYR 102 HH TYR 102 5.101 -0.471 -8.736 852 H VAL 103 H VAL 103 -0.811 4.463 -6.361 853 HA VAL 103 HA VAL 103 -1.433 1.551 -5.981 854 HB VAL 103 HB VAL 103 -2.686 3.174 -4.542 855 HG11 VAL 103 HG11 VAL 103 -2.857 4.563 -7.039 856 HG12 VAL 103 HG12 VAL 103 -3.381 5.107 -5.446 857 HG13 VAL 103 HG13 VAL 103 -4.490 4.205 -6.479 858 HG21 VAL 103 HG21 VAL 103 -4.980 2.361 -5.237 859 HG22 VAL 103 HG22 VAL 103 -3.775 1.084 -5.077 860 HG23 VAL 103 HG23 VAL 103 -4.228 1.673 -6.677 861 H ASP 104 H ASP 104 -2.610 0.545 -7.717 862 HA ASP 104 HA ASP 104 -2.713 2.137 -10.258 863 HB2 ASP 104 HB3 ASP 104 -0.879 0.268 -9.747 864 HB3 ASP 104 HB2 ASP 104 -2.187 -0.811 -10.235 865 H VAL 105 H VAL 105 -4.800 2.236 -10.989 866 HA VAL 105 HA VAL 105 -6.656 -0.001 -10.254 867 HB VAL 105 HB VAL 105 -8.376 1.901 -10.767 868 HG11 VAL 105 HG11 VAL 105 -7.831 0.949 -8.523 869 HG12 VAL 105 HG12 VAL 105 -8.224 2.667 -8.462 870 HG13 VAL 105 HG13 VAL 105 -6.542 2.143 -8.366 871 HG21 VAL 105 HG21 VAL 105 -6.359 3.299 -11.708 872 HG22 VAL 105 HG22 VAL 105 -6.071 3.678 -10.009 873 HG23 VAL 105 HG23 VAL 105 -7.606 4.110 -10.761 874 HA PRO 106 HA PRO 106 -6.693 -1.000 -14.555 875 HB2 PRO 106 HB3 PRO 106 -9.355 -2.159 -14.025 876 HB3 PRO 106 HB2 PRO 106 -7.872 -2.959 -14.574 877 HG2 PRO 106 HG3 PRO 106 -8.878 -3.263 -12.085 878 HG3 PRO 106 HG2 PRO 106 -7.152 -3.374 -12.458 879 HD2 PRO 106 HD3 PRO 106 -8.657 -1.199 -11.124 880 HD3 PRO 106 HD2 PRO 106 -6.970 -1.715 -10.911 881 H GLY 107 H GLY 107 -7.309 0.349 -16.194 882 HA2 GLY 107 HA3 GLY 107 -8.819 1.561 -17.571 883 HA3 GLY 107 HA2 GLY 107 -10.072 1.331 -16.353 884 H GLU 108 H GLU 108 -7.920 2.349 -14.329 885 HA GLU 108 HA GLU 108 -8.377 5.253 -14.932 886 HB2 GLU 108 HB3 GLU 108 -8.548 3.557 -12.458 887 HB3 GLU 108 HB2 GLU 108 -8.214 5.283 -12.305 888 HG2 GLU 108 HG3 GLU 108 -10.238 5.642 -13.850 889 HG3 GLU 108 HG2 GLU 108 -10.636 3.954 -13.525 890 H LYS 109 H LYS 109 -6.719 6.717 -14.007 891 HA LYS 109 HA LYS 109 -4.014 5.761 -14.522 892 HB2 LYS 109 HB3 LYS 109 -5.473 8.196 -14.383 893 HB3 LYS 109 HB2 LYS 109 -4.162 8.324 -13.211 894 HG2 LYS 109 HG3 LYS 109 -2.908 8.923 -15.010 895 HG3 LYS 109 HG2 LYS 109 -2.865 7.190 -15.339 896 HD2 LYS 109 HD3 LYS 109 -3.755 7.772 -17.349 897 HD3 LYS 109 HD2 LYS 109 -5.269 7.890 -16.451 898 HE2 LYS 109 HE3 LYS 109 -3.608 10.313 -16.243 899 HE3 LYS 109 HE2 LYS 109 -4.158 9.961 -17.893 900 HZ1 LYS 109 HZ1 LYS 109 -5.731 11.195 -16.241 901 HZ2 LYS 109 HZ2 LYS 109 -6.033 9.629 -15.656 902 HZ3 LYS 109 HZ3 LYS 109 -6.353 10.009 -17.281 903 H ARG 110 H ARG 110 -2.364 5.437 -12.972 904 HA ARG 110 HA ARG 110 -3.211 4.674 -10.290 905 HB2 ARG 110 HB3 ARG 110 -0.740 4.213 -10.090 906 HB3 ARG 110 HB2 ARG 110 -1.486 3.459 -11.499 907 HG2 ARG 110 HG3 ARG 110 -0.244 4.687 -12.936 908 HG3 ARG 110 HG2 ARG 110 -0.551 6.177 -12.043 909 HD2 ARG 110 HD3 ARG 110 1.231 5.718 -10.488 910 HD3 ARG 110 HD2 ARG 110 1.425 4.068 -11.113 911 HE ARG 110 HE ARG 110 1.676 5.985 -13.250 912 HH11 ARG 110 HH11 ARG 110 3.281 4.646 -10.500 913 HH12 ARG 110 HH12 ARG 110 4.869 4.923 -11.130 914 HH21 ARG 110 HH21 ARG 110 3.741 6.338 -14.088 915 HH22 ARG 110 HH22 ARG 110 5.130 5.881 -13.160 916 H TYR 111 H TYR 111 -2.878 5.825 -8.372 917 HA TYR 111 HA TYR 111 -1.743 8.589 -8.663 918 HB2 TYR 111 HB3 TYR 111 -4.272 7.723 -7.899 919 HB3 TYR 111 HB2 TYR 111 -3.473 8.039 -6.359 920 HD1 TYR 111 HD1 TYR 111 -3.990 10.159 -5.541 921 HD2 TYR 111 HD2 TYR 111 -3.342 9.635 -9.756 922 HE1 TYR 111 HE1 TYR 111 -4.283 12.597 -5.890 923 HE2 TYR 111 HE2 TYR 111 -3.634 12.073 -10.104 924 HH TYR 111 HH TYR 111 -4.931 13.980 -8.740 925 H TYR 112 H TYR 112 0.090 8.959 -7.466 926 HA TYR 112 HA TYR 112 1.184 6.893 -5.735 927 HB2 TYR 112 HB3 TYR 112 3.076 8.342 -5.682 928 HB3 TYR 112 HB2 TYR 112 2.368 8.574 -7.279 929 HD1 TYR 112 HD1 TYR 112 2.975 10.077 -3.990 930 HD2 TYR 112 HD2 TYR 112 1.076 10.610 -7.806 931 HE1 TYR 112 HE1 TYR 112 2.694 12.496 -3.513 932 HE2 TYR 112 HE2 TYR 112 0.796 13.028 -7.330 933 HH TYR 112 HH TYR 112 1.875 14.754 -5.894 934 H LEU 113 H LEU 113 1.153 6.820 -3.494 935 HA LEU 113 HA LEU 113 -0.621 8.747 -2.098 936 HB2 LEU 113 HB3 LEU 113 -0.200 6.008 -2.016 937 HB3 LEU 113 HB2 LEU 113 0.643 6.577 -0.575 938 HG LEU 113 HG LEU 113 -1.708 6.081 -0.051 939 HD11 LEU 113 HD11 LEU 113 -0.346 8.216 0.783 940 HD12 LEU 113 HD12 LEU 113 -2.031 7.972 1.241 941 HD13 LEU 113 HD13 LEU 113 -1.627 9.071 -0.078 942 HD21 LEU 113 HD21 LEU 113 -2.447 6.639 -2.458 943 HD22 LEU 113 HD22 LEU 113 -2.467 8.322 -1.932 944 HD23 LEU 113 HD23 LEU 113 -3.525 7.144 -1.157 945 H ILE 114 H ILE 114 2.750 7.637 -2.111 946 HA ILE 114 HA ILE 114 3.413 9.809 -0.148 947 HB ILE 114 HB ILE 114 4.656 7.106 -0.739 948 HG12 ILE 114 HG13 ILE 114 3.507 8.232 1.831 949 HG13 ILE 114 HG12 ILE 114 2.572 7.254 0.698 950 HG21 ILE 114 HG21 ILE 114 6.078 9.342 -0.029 951 HG22 ILE 114 HG22 ILE 114 6.544 7.694 0.389 952 HG23 ILE 114 HG23 ILE 114 5.655 8.679 1.549 953 HD11 ILE 114 HD11 ILE 114 5.046 5.910 1.166 954 HD12 ILE 114 HD12 ILE 114 3.422 5.385 1.612 955 HD13 ILE 114 HD13 ILE 114 4.374 6.360 2.732 956 H LYS 115 H LYS 115 5.271 7.872 -2.517 957 HA LYS 115 HA LYS 115 6.964 8.595 -4.018 958 HB2 LYS 115 HB3 LYS 115 4.675 9.064 -5.034 959 HB3 LYS 115 HB2 LYS 115 4.880 10.738 -4.514 960 HG2 LYS 115 HG3 LYS 115 5.911 11.043 -6.510 961 HG3 LYS 115 HG2 LYS 115 7.280 10.214 -5.768 962 HD2 LYS 115 HD3 LYS 115 5.589 8.143 -6.571 963 HD3 LYS 115 HD2 LYS 115 5.508 9.305 -7.897 964 HE2 LYS 115 HE3 LYS 115 7.381 7.902 -8.410 965 HE3 LYS 115 HE2 LYS 115 8.095 9.382 -7.738 966 HZ1 LYS 115 HZ1 LYS 115 7.272 7.275 -5.879 967 HZ2 LYS 115 HZ2 LYS 115 8.548 8.390 -5.754 968 HZ3 LYS 115 HZ3 LYS 115 8.699 7.031 -6.761 Start of MODEL 4 1 H1 GLY 1 H GLY 1 2.245 -14.078 11.649 2 HA2 GLY 1 HA3 GLY 1 3.938 -12.830 10.074 3 HA3 GLY 1 HA2 GLY 1 2.226 -12.565 9.738 4 H SER 2 H SER 2 4.970 -11.247 11.585 5 HA SER 2 HA SER 2 3.798 -8.836 12.481 6 HB2 SER 2 HB3 SER 2 6.164 -8.061 12.512 7 HB3 SER 2 HB2 SER 2 6.006 -9.700 13.138 8 HG SER 2 HG SER 2 7.617 -8.996 11.301 9 H ASP 3 H ASP 3 5.217 -9.636 9.313 10 HA ASP 3 HA ASP 3 5.247 -7.026 8.183 11 HB2 ASP 3 HB3 ASP 3 5.037 -8.388 6.026 12 HB3 ASP 3 HB2 ASP 3 6.344 -8.870 7.109 13 H THR 4 H THR 4 2.604 -9.244 8.794 14 HA THR 4 HA THR 4 0.645 -8.251 6.988 15 HB THR 4 HB THR 4 0.421 -9.329 9.820 16 HG1 THR 4 HG1 THR 4 1.384 -10.486 7.805 17 HG21 THR 4 HG21 THR 4 -1.616 -8.118 8.843 18 HG22 THR 4 HG22 THR 4 -1.869 -9.782 9.370 19 HG23 THR 4 HG23 THR 4 -1.681 -9.419 7.653 20 H GLN 5 H GLN 5 1.810 -7.012 10.084 21 HA GLN 5 HA GLN 5 -0.282 -5.058 10.481 22 HB2 GLN 5 HB3 GLN 5 2.593 -5.148 11.449 23 HB3 GLN 5 HB2 GLN 5 1.280 -4.222 12.180 24 HG2 GLN 5 HG3 GLN 5 1.086 -7.212 11.820 25 HG3 GLN 5 HG2 GLN 5 1.841 -6.502 13.246 26 HE21 GLN 5 HE21 GLN 5 -0.423 -7.958 13.773 27 HE22 GLN 5 HE22 GLN 5 -1.742 -6.940 14.100 28 H LEU 6 H LEU 6 2.834 -5.047 8.800 29 HA LEU 6 HA LEU 6 3.062 -2.224 8.374 30 HB2 LEU 6 HB3 LEU 6 4.618 -4.367 7.968 31 HB3 LEU 6 HB2 LEU 6 3.986 -4.200 6.330 32 HG LEU 6 HG LEU 6 4.598 -1.655 6.684 33 HD11 LEU 6 HD11 LEU 6 5.612 -2.883 9.063 34 HD12 LEU 6 HD12 LEU 6 5.728 -1.193 8.574 35 HD13 LEU 6 HD13 LEU 6 6.983 -2.336 8.099 36 HD21 LEU 6 HD21 LEU 6 5.913 -2.378 4.993 37 HD22 LEU 6 HD22 LEU 6 6.045 -3.989 5.699 38 HD23 LEU 6 HD23 LEU 6 7.144 -2.708 6.211 39 H PHE 7 H PHE 7 1.479 -4.801 6.493 40 HA PHE 7 HA PHE 7 0.668 -3.024 4.331 41 HB2 PHE 7 HB3 PHE 7 0.582 -5.110 3.452 42 HB3 PHE 7 HB2 PHE 7 0.671 -5.835 5.052 43 HD1 PHE 7 HD1 PHE 7 -1.060 -7.303 5.526 44 HD2 PHE 7 HD2 PHE 7 -1.867 -3.845 3.110 45 HE1 PHE 7 HE1 PHE 7 -3.440 -7.984 5.347 46 HE2 PHE 7 HE2 PHE 7 -4.246 -4.524 2.931 47 HZ PHE 7 HZ PHE 7 -5.032 -6.593 4.050 48 H ASN 8 H ASN 8 -0.845 -4.309 7.279 49 HA ASN 8 HA ASN 8 -3.526 -3.518 6.847 50 HB2 ASN 8 HB3 ASN 8 -1.702 -4.078 9.120 51 HB3 ASN 8 HB2 ASN 8 -3.153 -3.158 9.521 52 HD21 ASN 8 HD21 ASN 8 -1.963 -6.304 8.527 53 HD22 ASN 8 HD22 ASN 8 -3.464 -7.098 8.565 54 H ARG 9 H ARG 9 -0.896 -1.670 8.435 55 HA ARG 9 HA ARG 9 -2.444 0.738 8.772 56 HB2 ARG 9 HB3 ARG 9 -0.208 1.694 9.265 57 HB3 ARG 9 HB2 ARG 9 -0.426 0.137 10.066 58 HG2 ARG 9 HG3 ARG 9 0.834 -0.990 8.307 59 HG3 ARG 9 HG2 ARG 9 0.971 0.517 7.402 60 HD2 ARG 9 HD3 ARG 9 1.999 0.358 10.236 61 HD3 ARG 9 HD2 ARG 9 2.993 -0.195 8.879 62 HE ARG 9 HE ARG 9 3.022 2.038 8.002 63 HH11 ARG 9 HH11 ARG 9 1.041 1.718 10.835 64 HH12 ARG 9 HH12 ARG 9 0.936 3.423 11.094 65 HH21 ARG 9 HH21 ARG 9 2.880 4.251 8.355 66 HH22 ARG 9 HH22 ARG 9 1.967 4.850 9.699 67 H ALA 10 H ALA 10 -0.283 -0.440 6.211 68 HA ALA 10 HA ALA 10 -0.154 2.016 4.713 69 HB1 ALA 10 HB1 ALA 10 0.684 -0.754 4.552 70 HB2 ALA 10 HB2 ALA 10 1.408 0.664 3.794 71 HB3 ALA 10 HB3 ALA 10 0.101 -0.199 2.983 72 H VAL 11 H VAL 11 -2.265 -0.859 4.466 73 HA VAL 11 HA VAL 11 -3.758 0.093 2.194 74 HB VAL 11 HB VAL 11 -3.475 -2.229 3.674 75 HG11 VAL 11 HG11 VAL 11 -5.707 -2.848 4.472 76 HG12 VAL 11 HG12 VAL 11 -6.326 -1.255 4.039 77 HG13 VAL 11 HG13 VAL 11 -5.139 -1.418 5.334 78 HG21 VAL 11 HG21 VAL 11 -5.855 -2.351 2.031 79 HG22 VAL 11 HG22 VAL 11 -4.259 -3.037 1.729 80 HG23 VAL 11 HG23 VAL 11 -4.610 -1.379 1.244 81 H SER 12 H SER 12 -4.090 0.529 5.684 82 HA SER 12 HA SER 12 -6.750 1.586 5.733 83 HB2 SER 12 HB3 SER 12 -5.323 0.801 7.658 84 HB3 SER 12 HB2 SER 12 -4.373 2.274 7.491 85 HG SER 12 HG SER 12 -7.116 1.997 8.147 86 H MET 13 H MET 13 -3.584 3.253 5.558 87 HA MET 13 HA MET 13 -4.700 5.901 5.319 88 HB2 MET 13 HB3 MET 13 -2.359 6.435 4.625 89 HB3 MET 13 HB2 MET 13 -2.412 5.428 6.073 90 HG2 MET 13 HG3 MET 13 -1.906 3.443 4.796 91 HG3 MET 13 HG2 MET 13 -2.089 4.314 3.274 92 HE1 MET 13 HE1 MET 13 1.146 3.219 3.082 93 HE2 MET 13 HE2 MET 13 1.005 4.741 2.206 94 HE3 MET 13 HE3 MET 13 -0.387 3.668 2.322 95 H VAL 14 H VAL 14 -3.873 3.374 2.997 96 HA VAL 14 HA VAL 14 -4.071 5.055 0.635 97 HB VAL 14 HB VAL 14 -4.107 2.079 1.187 98 HG11 VAL 14 HG11 VAL 14 -5.115 1.978 -0.869 99 HG12 VAL 14 HG12 VAL 14 -3.466 2.247 -1.436 100 HG13 VAL 14 HG13 VAL 14 -4.590 3.601 -1.320 101 HG21 VAL 14 HG21 VAL 14 -1.836 2.141 0.733 102 HG22 VAL 14 HG22 VAL 14 -2.043 3.753 1.419 103 HG23 VAL 14 HG23 VAL 14 -1.982 3.540 -0.329 104 H GLU 15 H GLU 15 -6.310 2.822 2.301 105 HA GLU 15 HA GLU 15 -8.424 3.141 0.322 106 HB2 GLU 15 HB3 GLU 15 -9.686 1.802 1.943 107 HB3 GLU 15 HB2 GLU 15 -8.054 1.151 1.780 108 HG2 GLU 15 HG3 GLU 15 -7.405 2.561 3.786 109 HG3 GLU 15 HG2 GLU 15 -9.122 2.897 4.009 110 H LYS 16 H LYS 16 -7.392 4.955 3.103 111 HA LYS 16 HA LYS 16 -10.018 6.372 3.236 112 HB2 LYS 16 HB3 LYS 16 -9.348 6.981 5.429 113 HB3 LYS 16 HB2 LYS 16 -8.745 5.336 5.239 114 HG2 LYS 16 HG3 LYS 16 -6.516 6.142 4.743 115 HG3 LYS 16 HG2 LYS 16 -7.082 7.814 4.710 116 HD2 LYS 16 HD3 LYS 16 -7.870 7.388 7.139 117 HD3 LYS 16 HD2 LYS 16 -6.821 5.970 7.085 118 HE2 LYS 16 HE3 LYS 16 -5.277 7.521 7.852 119 HE3 LYS 16 HE2 LYS 16 -5.098 7.816 6.110 120 HZ1 LYS 16 HZ1 LYS 16 -6.733 9.538 6.213 121 HZ2 LYS 16 HZ2 LYS 16 -5.572 9.859 7.412 122 HZ3 LYS 16 HZ3 LYS 16 -7.079 9.199 7.838 123 H ASN 17 H ASN 17 -6.828 6.693 2.014 124 HA ASN 17 HA ASN 17 -6.182 9.398 2.200 125 HB2 ASN 17 HB3 ASN 17 -5.229 7.256 0.885 126 HB3 ASN 17 HB2 ASN 17 -6.002 8.076 -0.472 127 HD21 ASN 17 HD21 ASN 17 -4.732 9.644 -1.474 128 HD22 ASN 17 HD22 ASN 17 -3.414 10.435 -0.755 129 H LYS 18 H LYS 18 -7.132 11.270 1.482 130 HA LYS 18 HA LYS 18 -9.753 11.289 0.294 131 HB2 LYS 18 HB3 LYS 18 -7.634 13.460 0.431 132 HB3 LYS 18 HB2 LYS 18 -9.369 13.710 0.240 133 HG2 LYS 18 HG3 LYS 18 -9.807 12.795 2.437 134 HG3 LYS 18 HG2 LYS 18 -8.119 12.318 2.622 135 HD2 LYS 18 HD3 LYS 18 -8.315 14.357 3.831 136 HD3 LYS 18 HD2 LYS 18 -7.545 14.797 2.306 137 HE2 LYS 18 HE3 LYS 18 -10.532 14.859 2.367 138 HE3 LYS 18 HE2 LYS 18 -9.673 16.148 3.234 139 HZ1 LYS 18 HZ1 LYS 18 -9.709 15.543 0.386 140 HZ2 LYS 18 HZ2 LYS 18 -8.204 15.990 1.032 141 HZ3 LYS 18 HZ3 LYS 18 -9.536 17.035 1.172 142 H ASP 19 H ASP 19 -6.507 11.946 -1.025 143 HA ASP 19 HA ASP 19 -7.241 12.674 -3.662 144 HB2 ASP 19 HB3 ASP 19 -4.855 11.214 -2.495 145 HB3 ASP 19 HB2 ASP 19 -4.904 11.794 -4.161 146 H ILE 20 H ILE 20 -6.523 9.427 -2.337 147 HA ILE 20 HA ILE 20 -7.048 8.037 -4.825 148 HB ILE 20 HB ILE 20 -7.043 7.144 -1.921 149 HG12 ILE 20 HG13 ILE 20 -4.910 8.122 -2.559 150 HG13 ILE 20 HG12 ILE 20 -4.726 6.368 -2.521 151 HG21 ILE 20 HG21 ILE 20 -7.237 4.978 -2.625 152 HG22 ILE 20 HG22 ILE 20 -6.343 5.277 -4.117 153 HG23 ILE 20 HG23 ILE 20 -8.047 5.720 -4.005 154 HD11 ILE 20 HD11 ILE 20 -3.912 6.558 -4.622 155 HD12 ILE 20 HD12 ILE 20 -4.502 8.211 -4.785 156 HD13 ILE 20 HD13 ILE 20 -5.578 6.854 -5.115 157 H ARG 21 H ARG 21 -8.998 8.935 -2.011 158 HA ARG 21 HA ARG 21 -11.301 7.369 -2.394 159 HB2 ARG 21 HB3 ARG 21 -10.443 9.497 -0.830 160 HB3 ARG 21 HB2 ARG 21 -11.812 10.176 -1.713 161 HG2 ARG 21 HG3 ARG 21 -13.291 8.482 -0.917 162 HG3 ARG 21 HG2 ARG 21 -11.957 7.501 -0.310 163 HD2 ARG 21 HD3 ARG 21 -13.000 8.647 1.581 164 HD3 ARG 21 HD2 ARG 21 -11.413 9.388 1.293 165 HE ARG 21 HE ARG 21 -13.162 10.820 -0.337 166 HH11 ARG 21 HH11 ARG 21 -12.900 10.026 3.014 167 HH12 ARG 21 HH12 ARG 21 -13.667 11.482 3.551 168 HH21 ARG 21 HH21 ARG 21 -14.171 12.721 0.353 169 HH22 ARG 21 HH22 ARG 21 -14.386 13.005 2.048 170 H SER 22 H SER 22 -10.274 10.309 -4.093 171 HA SER 22 HA SER 22 -12.744 10.762 -5.514 172 HB2 SER 22 HB3 SER 22 -11.525 12.625 -5.898 173 HB3 SER 22 HB2 SER 22 -10.083 11.833 -5.270 174 HG SER 22 HG SER 22 -9.414 11.725 -7.248 175 H LEU 23 H LEU 23 -9.774 8.955 -6.283 176 HA LEU 23 HA LEU 23 -10.594 8.240 -8.977 177 HB2 LEU 23 HB3 LEU 23 -8.616 6.808 -7.189 178 HB3 LEU 23 HB2 LEU 23 -8.573 6.963 -8.944 179 HG LEU 23 HG LEU 23 -8.052 9.106 -6.875 180 HD11 LEU 23 HD11 LEU 23 -6.082 9.311 -8.676 181 HD12 LEU 23 HD12 LEU 23 -6.496 7.616 -8.935 182 HD13 LEU 23 HD13 LEU 23 -6.003 8.168 -7.334 183 HD21 LEU 23 HD21 LEU 23 -8.001 10.731 -8.697 184 HD22 LEU 23 HD22 LEU 23 -9.587 9.959 -8.661 185 HD23 LEU 23 HD23 LEU 23 -8.396 9.473 -9.869 186 H LEU 24 H LEU 24 -10.608 6.549 -5.833 187 HA LEU 24 HA LEU 24 -11.944 4.192 -6.987 188 HB2 LEU 24 HB3 LEU 24 -10.370 4.895 -4.710 189 HB3 LEU 24 HB2 LEU 24 -11.908 4.264 -4.119 190 HG LEU 24 HG LEU 24 -10.171 2.487 -4.477 191 HD11 LEU 24 HD11 LEU 24 -12.890 2.580 -5.536 192 HD12 LEU 24 HD12 LEU 24 -12.088 1.303 -4.621 193 HD13 LEU 24 HD13 LEU 24 -11.893 1.388 -6.372 194 HD21 LEU 24 HD21 LEU 24 -8.917 2.704 -6.349 195 HD22 LEU 24 HD22 LEU 24 -10.067 3.829 -7.072 196 HD23 LEU 24 HD23 LEU 24 -10.312 2.090 -7.235 197 H GLN 25 H GLN 25 -12.959 7.231 -5.961 198 HA GLN 25 HA GLN 25 -15.078 8.093 -5.363 199 HB2 GLN 25 HB3 GLN 25 -16.062 5.430 -6.420 200 HB3 GLN 25 HB2 GLN 25 -16.880 6.991 -6.494 201 HG2 GLN 25 HG3 GLN 25 -15.013 7.833 -7.948 202 HG3 GLN 25 HG2 GLN 25 -14.360 6.194 -7.977 203 HE21 GLN 25 HE21 GLN 25 -15.056 4.984 -9.739 204 HE22 GLN 25 HE22 GLN 25 -16.520 5.215 -10.566 205 H CYS 26 H CYS 26 -13.625 6.676 -3.314 206 HA CYS 26 HA CYS 26 -15.548 4.948 -1.905 207 HB2 CYS 26 HB3 CYS 26 -13.248 4.328 -1.800 208 HB3 CYS 26 HB2 CYS 26 -12.741 5.980 -1.450 209 HG CYS 26 HG CYS 26 -12.970 5.425 0.946 210 H ASP 27 H ASP 27 -16.065 5.499 0.416 211 HA ASP 27 HA ASP 27 -16.389 8.459 0.795 212 HB2 ASP 27 HB3 ASP 27 -18.282 6.324 0.549 213 HB3 ASP 27 HB2 ASP 27 -18.376 6.950 2.195 214 H ASP 28 H ASP 28 -17.006 8.793 3.297 215 HA ASP 28 HA ASP 28 -16.049 7.018 5.301 216 HB2 ASP 28 HB3 ASP 28 -14.041 8.223 3.636 217 HB3 ASP 28 HB2 ASP 28 -13.869 8.859 5.273 218 H GLY 29 H GLY 29 -17.955 8.160 6.197 219 HA2 GLY 29 HA3 GLY 29 -17.142 10.567 7.692 220 HA3 GLY 29 HA2 GLY 29 -18.512 10.775 6.600 221 H ILE 30 H ILE 30 -18.681 11.045 9.446 222 HA ILE 30 HA ILE 30 -19.573 8.797 10.886 223 HB ILE 30 HB ILE 30 -19.254 10.897 11.959 224 HG12 ILE 30 HG13 ILE 30 -21.448 9.436 12.454 225 HG13 ILE 30 HG12 ILE 30 -21.115 10.932 13.321 226 HG21 ILE 30 HG21 ILE 30 -20.954 12.801 11.261 227 HG22 ILE 30 HG22 ILE 30 -20.997 11.906 9.742 228 HG23 ILE 30 HG23 ILE 30 -19.469 12.547 10.345 229 HD11 ILE 30 HD11 ILE 30 -23.455 10.849 12.501 230 HD12 ILE 30 HD12 ILE 30 -22.863 10.703 10.847 231 HD13 ILE 30 HD13 ILE 30 -22.558 12.176 11.765 232 H THR 31 H THR 31 -21.165 10.584 8.321 233 HA THR 31 HA THR 31 -23.819 9.441 8.832 234 HB THR 31 HB THR 31 -24.468 10.836 7.052 235 HG1 THR 31 HG1 THR 31 -21.875 11.062 6.030 236 HG21 THR 31 HG21 THR 31 -23.109 12.003 8.953 237 HG22 THR 31 HG22 THR 31 -23.502 12.917 7.497 238 HG23 THR 31 HG23 THR 31 -21.889 12.231 7.701 239 H GLY 32 H GLY 32 -20.972 8.609 6.999 240 HA2 GLY 32 HA3 GLY 32 -22.024 5.991 6.368 241 HA3 GLY 32 HA2 GLY 32 -21.965 7.023 4.939 242 H LYS 33 H LYS 33 -20.240 4.713 6.470 243 HA LYS 33 HA LYS 33 -17.603 5.906 5.665 244 HB2 LYS 33 HB3 LYS 33 -18.460 4.000 7.850 245 HB3 LYS 33 HB2 LYS 33 -16.769 4.165 7.373 246 HG2 LYS 33 HG3 LYS 33 -16.559 6.152 8.430 247 HG3 LYS 33 HG2 LYS 33 -18.088 6.748 7.781 248 HD2 LYS 33 HD3 LYS 33 -19.155 6.301 9.713 249 HD3 LYS 33 HD2 LYS 33 -18.560 4.640 9.710 250 HE2 LYS 33 HE3 LYS 33 -16.841 6.985 10.575 251 HE3 LYS 33 HE2 LYS 33 -17.805 6.020 11.710 252 HZ1 LYS 33 HZ1 LYS 33 -15.873 4.876 9.766 253 HZ2 LYS 33 HZ2 LYS 33 -16.717 4.037 10.978 254 HZ3 LYS 33 HZ3 LYS 33 -15.515 5.162 11.399 255 H GLU 34 H GLU 34 -16.799 4.936 3.851 256 HA GLU 34 HA GLU 34 -17.885 2.403 2.858 257 HB2 GLU 34 HB3 GLU 34 -17.192 4.410 1.486 258 HB3 GLU 34 HB2 GLU 34 -15.519 4.049 1.911 259 HG2 GLU 34 HG3 GLU 34 -15.609 2.828 -0.029 260 HG3 GLU 34 HG2 GLU 34 -16.288 1.609 1.051 261 H ARG 35 H ARG 35 -16.797 0.401 2.871 262 HA ARG 35 HA ARG 35 -14.253 0.317 4.461 263 HB2 ARG 35 HB3 ARG 35 -16.612 -0.648 5.237 264 HB3 ARG 35 HB2 ARG 35 -16.120 -2.011 4.229 265 HG2 ARG 35 HG3 ARG 35 -14.435 -0.811 6.446 266 HG3 ARG 35 HG2 ARG 35 -15.401 -2.279 6.602 267 HD2 ARG 35 HD3 ARG 35 -14.029 -2.952 4.389 268 HD3 ARG 35 HD2 ARG 35 -12.846 -1.848 5.119 269 HE ARG 35 HE ARG 35 -12.522 -3.448 6.821 270 HH11 ARG 35 HH11 ARG 35 -15.563 -3.873 5.239 271 HH12 ARG 35 HH12 ARG 35 -15.974 -5.298 6.131 272 HH21 ARG 35 HH21 ARG 35 -13.057 -5.296 8.003 273 HH22 ARG 35 HH22 ARG 35 -14.558 -6.103 7.694 274 H LEU 36 H LEU 36 -12.558 -0.230 3.168 275 HA LEU 36 HA LEU 36 -13.068 -1.985 0.796 276 HB2 LEU 36 HB3 LEU 36 -10.742 -0.137 1.411 277 HB3 LEU 36 HB2 LEU 36 -11.122 -0.882 -0.144 278 HG LEU 36 HG LEU 36 -12.932 1.060 1.320 279 HD11 LEU 36 HD11 LEU 36 -10.656 1.856 0.260 280 HD12 LEU 36 HD12 LEU 36 -12.134 2.769 -0.048 281 HD13 LEU 36 HD13 LEU 36 -11.520 1.646 -1.263 282 HD21 LEU 36 HD21 LEU 36 -14.393 -0.102 -0.036 283 HD22 LEU 36 HD22 LEU 36 -13.132 -0.571 -1.175 284 HD23 LEU 36 HD23 LEU 36 -13.797 1.062 -1.218 285 H LYS 37 H LYS 37 -11.766 -3.845 0.534 286 HA LYS 37 HA LYS 37 -10.039 -4.563 2.873 287 HB2 LYS 37 HB3 LYS 37 -11.886 -6.193 1.105 288 HB3 LYS 37 HB2 LYS 37 -10.788 -6.911 2.283 289 HG2 LYS 37 HG3 LYS 37 -11.985 -6.113 4.094 290 HG3 LYS 37 HG2 LYS 37 -12.603 -4.721 3.205 291 HD2 LYS 37 HD3 LYS 37 -14.456 -5.842 2.573 292 HD3 LYS 37 HD2 LYS 37 -13.507 -7.225 2.026 293 HE2 LYS 37 HE3 LYS 37 -13.576 -8.269 4.134 294 HE3 LYS 37 HE2 LYS 37 -13.942 -6.750 4.975 295 HZ1 LYS 37 HZ1 LYS 37 -15.851 -8.416 4.426 296 HZ2 LYS 37 HZ2 LYS 37 -15.769 -7.709 2.884 297 HZ3 LYS 37 HZ3 LYS 37 -16.102 -6.749 4.245 298 H ALA 38 H ALA 38 -8.043 -5.482 2.394 299 HA ALA 38 HA ALA 38 -7.353 -5.982 -0.468 300 HB1 ALA 38 HB1 ALA 38 -6.797 -3.628 0.772 301 HB2 ALA 38 HB2 ALA 38 -5.776 -4.315 -0.491 302 HB3 ALA 38 HB3 ALA 38 -5.358 -4.554 1.205 303 H TYR 39 H TYR 39 -5.642 -7.507 -0.724 304 HA TYR 39 HA TYR 39 -4.382 -8.638 1.718 305 HB2 TYR 39 HB3 TYR 39 -5.100 -10.951 0.617 306 HB3 TYR 39 HB2 TYR 39 -6.207 -10.082 1.677 307 HD1 TYR 39 HD1 TYR 39 -5.353 -10.783 -1.867 308 HD2 TYR 39 HD2 TYR 39 -8.226 -9.098 0.844 309 HE1 TYR 39 HE1 TYR 39 -7.000 -10.623 -3.713 310 HE2 TYR 39 HE2 TYR 39 -9.875 -8.937 -1.002 311 HH TYR 39 HH TYR 39 -9.251 -8.896 -4.018 312 H GLY 40 H GLY 40 -2.484 -9.926 1.204 313 HA2 GLY 40 HA3 GLY 40 -1.061 -9.005 -1.136 314 HA3 GLY 40 HA2 GLY 40 -0.486 -10.224 0.000 315 H GLU 41 H GLU 41 0.286 -11.383 -1.931 316 HA GLU 41 HA GLU 41 -1.913 -12.962 -3.224 317 HB2 GLU 41 HB3 GLU 41 0.681 -12.039 -4.500 318 HB3 GLU 41 HB2 GLU 41 -0.697 -12.785 -5.311 319 HG2 GLU 41 HG3 GLU 41 -0.949 -10.181 -3.795 320 HG3 GLU 41 HG2 GLU 41 -0.511 -10.234 -5.504 321 H LEU 42 H LEU 42 0.115 -14.515 -4.709 322 HA LEU 42 HA LEU 42 1.861 -15.750 -2.691 323 HB2 LEU 42 HB3 LEU 42 -0.807 -16.505 -2.813 324 HB3 LEU 42 HB2 LEU 42 0.000 -17.734 -3.788 325 HG LEU 42 HG LEU 42 1.637 -18.064 -1.916 326 HD11 LEU 42 HD11 LEU 42 0.926 -17.159 0.323 327 HD12 LEU 42 HD12 LEU 42 -0.273 -16.170 -0.514 328 HD13 LEU 42 HD13 LEU 42 1.447 -15.913 -0.812 329 HD21 LEU 42 HD21 LEU 42 -0.405 -19.489 -2.207 330 HD22 LEU 42 HD22 LEU 42 -1.268 -18.414 -1.106 331 HD23 LEU 42 HD23 LEU 42 0.105 -19.356 -0.523 332 H ILE 43 H ILE 43 2.351 -18.165 -3.883 333 HA ILE 43 HA ILE 43 4.085 -17.631 -6.021 334 HB ILE 43 HB ILE 43 4.045 -20.060 -6.326 335 HG12 ILE 43 HG13 ILE 43 1.659 -20.203 -4.488 336 HG13 ILE 43 HG12 ILE 43 1.442 -20.047 -6.232 337 HG21 ILE 43 HG21 ILE 43 5.136 -20.167 -4.362 338 HG22 ILE 43 HG22 ILE 43 3.593 -20.314 -3.522 339 HG23 ILE 43 HG23 ILE 43 4.297 -18.721 -3.804 340 HD11 ILE 43 HD11 ILE 43 2.847 -22.268 -4.736 341 HD12 ILE 43 HD12 ILE 43 3.010 -22.043 -6.476 342 HD13 ILE 43 HD13 ILE 43 1.430 -22.396 -5.777 343 H THR 44 H THR 44 3.618 -19.055 -8.219 344 HA THR 44 HA THR 44 1.696 -17.516 -9.723 345 HB THR 44 HB THR 44 2.466 -19.988 -10.994 346 HG1 THR 44 HG1 THR 44 4.564 -20.089 -10.525 347 HG21 THR 44 HG21 THR 44 3.677 -18.463 -12.475 348 HG22 THR 44 HG22 THR 44 3.545 -17.170 -11.284 349 HG23 THR 44 HG23 THR 44 2.098 -17.784 -12.083 350 H ASN 45 H ASN 45 1.771 -21.046 -9.061 351 HA ASN 45 HA ASN 45 -1.229 -20.997 -8.989 352 HB2 ASN 45 HB3 ASN 45 0.435 -22.061 -10.968 353 HB3 ASN 45 HB2 ASN 45 -0.026 -23.460 -10.000 354 HD21 ASN 45 HD21 ASN 45 -0.958 -22.499 -12.776 355 HD22 ASN 45 HD22 ASN 45 -2.650 -22.481 -12.655 356 H ASP 46 H ASP 46 -1.756 -21.567 -6.904 357 HA ASP 46 HA ASP 46 -0.026 -23.569 -5.500 358 HB2 ASP 46 HB3 ASP 46 -0.890 -22.538 -3.471 359 HB3 ASP 46 HB2 ASP 46 -0.353 -21.256 -4.557 360 H LYS 47 H LYS 47 -1.816 -24.428 -3.568 361 HA LYS 47 HA LYS 47 -3.535 -26.239 -5.118 362 HB2 LYS 47 HB3 LYS 47 -3.196 -25.889 -2.124 363 HB3 LYS 47 HB2 LYS 47 -3.807 -27.318 -2.957 364 HG2 LYS 47 HG3 LYS 47 -1.677 -28.069 -2.961 365 HG3 LYS 47 HG2 LYS 47 -1.355 -26.840 -4.184 366 HD2 LYS 47 HD3 LYS 47 -0.351 -25.410 -2.686 367 HD3 LYS 47 HD2 LYS 47 -1.340 -25.962 -1.334 368 HE2 LYS 47 HE3 LYS 47 0.616 -27.887 -2.557 369 HE3 LYS 47 HE2 LYS 47 1.213 -26.643 -1.440 370 HZ1 LYS 47 HZ1 LYS 47 0.560 -28.230 0.050 371 HZ2 LYS 47 HZ2 LYS 47 -0.680 -28.829 -0.946 372 HZ3 LYS 47 HZ3 LYS 47 -0.897 -27.374 -0.097 373 H TRP 48 H TRP 48 -5.615 -26.491 -3.131 374 HA TRP 48 HA TRP 48 -7.447 -24.446 -4.063 375 HB2 TRP 48 HB3 TRP 48 -7.725 -26.427 -1.781 376 HB3 TRP 48 HB2 TRP 48 -9.032 -25.692 -2.710 377 HD1 TRP 48 HD1 TRP 48 -7.517 -28.859 -2.480 378 HE1 TRP 48 HE1 TRP 48 -7.499 -30.144 -4.714 379 HE3 TRP 48 HE3 TRP 48 -8.455 -25.021 -5.714 380 HZ2 TRP 48 HZ2 TRP 48 -7.838 -29.614 -7.505 381 HZ3 TRP 48 HZ3 TRP 48 -8.602 -25.438 -8.152 382 HH2 TRP 48 HH2 TRP 48 -8.295 -27.728 -9.052 383 H THR 49 H THR 49 -5.108 -24.456 -1.606 384 HA THR 49 HA THR 49 -6.530 -22.816 0.352 385 HB THR 49 HB THR 49 -3.556 -22.867 0.179 386 HG1 THR 49 HG1 THR 49 -3.408 -24.950 0.126 387 HG21 THR 49 HG21 THR 49 -5.668 -23.300 2.292 388 HG22 THR 49 HG22 THR 49 -4.482 -21.999 2.186 389 HG23 THR 49 HG23 THR 49 -3.963 -23.634 2.596 390 H ARG 50 H ARG 50 -6.044 -20.535 0.751 391 HA ARG 50 HA ARG 50 -4.415 -19.022 -1.150 392 HB2 ARG 50 HB3 ARG 50 -6.274 -17.893 -2.238 393 HB3 ARG 50 HB2 ARG 50 -6.512 -19.633 -2.401 394 HG2 ARG 50 HG3 ARG 50 -8.444 -19.546 -1.249 395 HG3 ARG 50 HG2 ARG 50 -7.674 -18.669 0.074 396 HD2 ARG 50 HD3 ARG 50 -8.608 -16.721 -0.605 397 HD3 ARG 50 HD2 ARG 50 -7.997 -16.952 -2.255 398 HE ARG 50 HE ARG 50 -10.153 -18.777 -1.784 399 HH11 ARG 50 HH11 ARG 50 -9.440 -15.431 -2.258 400 HH12 ARG 50 HH12 ARG 50 -10.980 -15.069 -2.961 401 HH21 ARG 50 HH21 ARG 50 -12.168 -18.315 -2.690 402 HH22 ARG 50 HH22 ARG 50 -12.524 -16.700 -3.206 403 H ASN 51 H ASN 51 -4.576 -19.239 1.745 404 HA ASN 51 HA ASN 51 -5.143 -16.376 2.377 405 HB2 ASN 51 HB3 ASN 51 -7.093 -17.861 2.951 406 HB3 ASN 51 HB2 ASN 51 -6.032 -18.752 4.044 407 HD21 ASN 51 HD21 ASN 51 -6.716 -18.097 6.112 408 HD22 ASN 51 HD22 ASN 51 -6.856 -16.479 6.604 409 H ARG 52 H ARG 52 -2.590 -17.311 1.951 410 HA ARG 52 HA ARG 52 -1.397 -18.200 4.497 411 HB2 ARG 52 HB3 ARG 52 -0.364 -17.481 1.739 412 HB3 ARG 52 HB2 ARG 52 0.698 -17.986 3.052 413 HG2 ARG 52 HG3 ARG 52 -1.691 -19.674 2.400 414 HG3 ARG 52 HG2 ARG 52 -0.271 -19.774 1.360 415 HD2 ARG 52 HD3 ARG 52 1.082 -20.083 3.549 416 HD3 ARG 52 HD2 ARG 52 -0.487 -20.436 4.300 417 HE ARG 52 HE ARG 52 -0.278 -21.905 1.854 418 HH11 ARG 52 HH11 ARG 52 1.004 -21.732 5.057 419 HH12 ARG 52 HH12 ARG 52 1.360 -23.424 5.144 420 HH21 ARG 52 HH21 ARG 52 0.182 -24.113 1.958 421 HH22 ARG 52 HH22 ARG 52 0.895 -24.771 3.392 422 HA PRO 53 HA PRO 53 -0.236 -14.278 6.053 423 HB2 PRO 53 HB3 PRO 53 2.403 -14.680 6.757 424 HB3 PRO 53 HB2 PRO 53 1.024 -15.273 7.703 425 HG2 PRO 53 HG3 PRO 53 2.777 -16.727 5.799 426 HG3 PRO 53 HG2 PRO 53 2.046 -17.282 7.311 427 HD2 PRO 53 HD3 PRO 53 1.087 -17.961 4.865 428 HD3 PRO 53 HD2 PRO 53 0.058 -17.824 6.307 429 H ILE 54 H ILE 54 1.138 -12.377 5.592 430 HA ILE 54 HA ILE 54 1.868 -12.195 2.771 431 HB ILE 54 HB ILE 54 2.025 -10.325 5.155 432 HG12 ILE 54 HG13 ILE 54 -0.251 -10.825 4.554 433 HG13 ILE 54 HG12 ILE 54 0.114 -9.238 3.875 434 HG21 ILE 54 HG21 ILE 54 2.057 -9.198 2.427 435 HG22 ILE 54 HG22 ILE 54 3.525 -10.064 2.874 436 HG23 ILE 54 HG23 ILE 54 2.967 -8.710 3.857 437 HD11 ILE 54 HD11 ILE 54 -0.812 -10.240 2.011 438 HD12 ILE 54 HD12 ILE 54 -0.273 -11.852 2.483 439 HD13 ILE 54 HD13 ILE 54 0.874 -10.709 1.786 440 H VAL 55 H VAL 55 3.893 -12.529 1.953 441 HA VAL 55 HA VAL 55 6.143 -12.980 3.845 442 HB VAL 55 HB VAL 55 5.735 -14.708 2.211 443 HG11 VAL 55 HG11 VAL 55 6.059 -13.850 -0.300 444 HG12 VAL 55 HG12 VAL 55 5.432 -12.355 0.393 445 HG13 VAL 55 HG13 VAL 55 4.477 -13.834 0.480 446 HG21 VAL 55 HG21 VAL 55 8.102 -14.222 2.574 447 HG22 VAL 55 HG22 VAL 55 8.052 -12.938 1.365 448 HG23 VAL 55 HG23 VAL 55 7.850 -14.621 0.875 449 H SER 56 H SER 56 8.124 -11.812 3.628 450 HA SER 56 HA SER 56 8.015 -9.393 1.859 451 HB2 SER 56 HB3 SER 56 9.092 -9.570 4.686 452 HB3 SER 56 HB2 SER 56 8.913 -8.110 3.718 453 HG SER 56 HG SER 56 7.136 -8.224 5.020 454 H THR 57 H THR 57 9.914 -8.929 0.789 455 HA THR 57 HA THR 57 12.154 -10.860 1.154 456 HB THR 57 HB THR 57 12.679 -10.315 -1.131 457 HG1 THR 57 HG1 THR 57 10.899 -8.155 -0.702 458 HG21 THR 57 HG21 THR 57 10.908 -11.453 -1.926 459 HG22 THR 57 HG22 THR 57 9.831 -10.089 -1.628 460 HG23 THR 57 HG23 THR 57 10.155 -11.254 -0.344 461 H LYS 58 H LYS 58 14.322 -10.048 1.411 462 HA LYS 58 HA LYS 58 14.512 -7.115 2.013 463 HB2 LYS 58 HB3 LYS 58 15.728 -7.645 3.995 464 HB3 LYS 58 HB2 LYS 58 14.362 -8.760 3.978 465 HG2 LYS 58 HG3 LYS 58 15.863 -10.456 2.863 466 HG3 LYS 58 HG2 LYS 58 17.212 -9.353 3.143 467 HD2 LYS 58 HD3 LYS 58 17.286 -10.777 5.018 468 HD3 LYS 58 HD2 LYS 58 16.421 -9.360 5.618 469 HE2 LYS 58 HE3 LYS 58 14.366 -10.883 4.573 470 HE3 LYS 58 HE2 LYS 58 15.447 -12.112 5.260 471 HZ1 LYS 58 HZ1 LYS 58 14.463 -11.497 7.182 472 HZ2 LYS 58 HZ2 LYS 58 13.991 -9.975 6.593 473 HZ3 LYS 58 HZ3 LYS 58 15.583 -10.224 7.130 474 H LYS 59 H LYS 59 16.210 -6.112 1.000 475 HA LYS 59 HA LYS 59 18.503 -7.775 0.034 476 HB2 LYS 59 HB3 LYS 59 16.588 -6.019 -1.484 477 HB3 LYS 59 HB2 LYS 59 18.247 -6.184 -2.059 478 HG2 LYS 59 HG3 LYS 59 17.283 -7.966 -3.170 479 HG3 LYS 59 HG2 LYS 59 17.741 -8.773 -1.668 480 HD2 LYS 59 HD3 LYS 59 15.538 -9.394 -1.662 481 HD3 LYS 59 HD2 LYS 59 15.317 -7.794 -0.951 482 HE2 LYS 59 HE3 LYS 59 13.744 -8.004 -2.794 483 HE3 LYS 59 HE2 LYS 59 15.030 -6.899 -3.321 484 HZ1 LYS 59 HZ1 LYS 59 14.374 -9.497 -4.315 485 HZ2 LYS 59 HZ2 LYS 59 16.002 -9.410 -3.839 486 HZ3 LYS 59 HZ3 LYS 59 15.390 -8.318 -4.985 487 H LEU 60 H LEU 60 20.409 -6.799 0.622 488 HA LEU 60 HA LEU 60 20.346 -4.077 1.762 489 HB2 LEU 60 HB3 LEU 60 22.694 -4.698 2.365 490 HB3 LEU 60 HB2 LEU 60 21.519 -5.903 2.891 491 HG LEU 60 HG LEU 60 22.476 -6.379 0.166 492 HD11 LEU 60 HD11 LEU 60 24.495 -6.850 2.352 493 HD12 LEU 60 HD12 LEU 60 24.487 -5.333 1.452 494 HD13 LEU 60 HD13 LEU 60 24.736 -6.860 0.605 495 HD21 LEU 60 HD21 LEU 60 22.285 -8.580 0.833 496 HD22 LEU 60 HD22 LEU 60 21.242 -7.838 2.048 497 HD23 LEU 60 HD23 LEU 60 22.908 -8.253 2.450 498 H ASP 61 H ASP 61 21.369 -2.288 0.851 499 HA ASP 61 HA ASP 61 22.170 -2.524 -2.002 500 HB2 ASP 61 HB3 ASP 61 21.965 -0.043 -1.882 501 HB3 ASP 61 HB2 ASP 61 20.507 -0.851 -1.306 502 H LYS 62 H LYS 62 24.015 -0.695 -2.445 503 HA LYS 62 HA LYS 62 26.468 -1.725 -1.444 504 HB2 LYS 62 HB3 LYS 62 27.317 0.512 -2.394 505 HB3 LYS 62 HB2 LYS 62 26.411 -0.519 -3.501 506 HG2 LYS 62 HG3 LYS 62 24.538 1.109 -2.083 507 HG3 LYS 62 HG2 LYS 62 25.814 2.158 -2.704 508 HD2 LYS 62 HD3 LYS 62 25.510 0.801 -4.917 509 HD3 LYS 62 HD2 LYS 62 23.948 0.356 -4.228 510 HE2 LYS 62 HE3 LYS 62 23.116 2.515 -4.373 511 HE3 LYS 62 HE2 LYS 62 24.719 3.253 -4.183 512 HZ1 LYS 62 HZ1 LYS 62 23.667 1.825 -6.564 513 HZ2 LYS 62 HZ2 LYS 62 25.302 2.243 -6.371 514 HZ3 LYS 62 HZ3 LYS 62 24.117 3.457 -6.463 515 H GLU 63 H GLU 63 24.201 0.389 0.044 516 HA GLU 63 HA GLU 63 26.192 1.673 1.817 517 HB2 GLU 63 HB3 GLU 63 23.213 1.812 1.359 518 HB3 GLU 63 HB2 GLU 63 23.947 2.597 2.757 519 HG2 GLU 63 HG3 GLU 63 25.606 3.369 0.680 520 HG3 GLU 63 HG2 GLU 63 24.007 3.388 -0.065 521 H GLY 64 H GLY 64 24.542 -1.268 1.731 522 HA2 GLY 64 HA3 GLY 64 24.636 -2.976 3.389 523 HA3 GLY 64 HA2 GLY 64 25.182 -1.772 4.559 524 H ARG 65 H ARG 65 22.583 -0.460 2.959 525 HA ARG 65 HA ARG 65 20.826 -0.880 5.275 526 HB2 ARG 65 HB3 ARG 65 21.321 1.177 3.583 527 HB3 ARG 65 HB2 ARG 65 19.898 0.486 2.801 528 HG2 ARG 65 HG3 ARG 65 18.948 1.988 4.329 529 HG3 ARG 65 HG2 ARG 65 18.892 0.463 5.214 530 HD2 ARG 65 HD3 ARG 65 19.803 2.077 6.748 531 HD3 ARG 65 HD2 ARG 65 21.193 1.130 6.178 532 HE ARG 65 HE ARG 65 20.644 3.394 4.444 533 HH11 ARG 65 HH11 ARG 65 22.101 2.361 7.401 534 HH12 ARG 65 HH12 ARG 65 23.258 3.648 7.430 535 HH21 ARG 65 HH21 ARG 65 22.150 5.078 4.475 536 HH22 ARG 65 HH22 ARG 65 23.286 5.182 5.778 537 H THR 66 H THR 66 19.214 -2.401 5.346 538 HA THR 66 HA THR 66 18.827 -4.247 3.120 539 HB THR 66 HB THR 66 17.431 -3.865 5.787 540 HG1 THR 66 HG1 THR 66 19.683 -4.360 5.843 541 HG21 THR 66 HG21 THR 66 17.308 -6.546 4.976 542 HG22 THR 66 HG22 THR 66 16.886 -5.613 3.540 543 HG23 THR 66 HG23 THR 66 15.969 -5.398 5.031 544 H HIS 67 H HIS 67 17.116 -4.279 1.677 545 HA HIS 67 HA HIS 67 15.106 -2.061 1.893 546 HB2 HIS 67 HB3 HIS 67 16.520 -3.457 -0.375 547 HB3 HIS 67 HB2 HIS 67 15.010 -2.594 -0.666 548 HD1 HIS 67 HD1 HIS 67 17.813 -1.639 -1.778 549 HD2 HIS 67 HD2 HIS 67 15.966 -0.173 1.659 550 HE1 HIS 67 HE1 HIS 67 18.775 0.669 -1.377 551 H HIS 68 H HIS 68 12.924 -2.649 1.843 552 HA HIS 68 HA HIS 68 12.346 -5.579 1.559 553 HB2 HIS 68 HB3 HIS 68 11.531 -3.434 3.452 554 HB3 HIS 68 HB2 HIS 68 10.293 -4.616 3.027 555 HD1 HIS 68 HD1 HIS 68 10.449 -6.884 4.112 556 HD2 HIS 68 HD2 HIS 68 13.965 -4.689 4.561 557 HE1 HIS 68 HE1 HIS 68 11.937 -8.224 5.664 558 H TYR 69 H TYR 69 10.656 -6.178 0.210 559 HA TYR 69 HA TYR 69 9.210 -3.970 -1.222 560 HB2 TYR 69 HB3 TYR 69 10.185 -6.684 -2.176 561 HB3 TYR 69 HB2 TYR 69 9.259 -5.550 -3.159 562 HD1 TYR 69 HD1 TYR 69 10.263 -3.539 -4.053 563 HD2 TYR 69 HD2 TYR 69 12.486 -6.137 -1.453 564 HE1 TYR 69 HE1 TYR 69 12.356 -2.352 -4.655 565 HE2 TYR 69 HE2 TYR 69 14.578 -4.949 -2.053 566 HH TYR 69 HH TYR 69 14.764 -2.772 -4.677 567 H MET 70 H MET 70 7.007 -4.070 -0.951 568 HA MET 70 HA MET 70 5.702 -6.713 -0.594 569 HB2 MET 70 HB3 MET 70 6.340 -5.937 1.655 570 HB3 MET 70 HB2 MET 70 5.529 -4.398 1.362 571 HG2 MET 70 HG3 MET 70 3.445 -5.909 0.844 572 HG3 MET 70 HG2 MET 70 4.328 -7.120 1.775 573 HE1 MET 70 HE1 MET 70 4.897 -7.171 3.910 574 HE2 MET 70 HE2 MET 70 4.380 -6.151 5.250 575 HE3 MET 70 HE3 MET 70 5.752 -5.663 4.259 576 H ARG 71 H ARG 71 3.809 -6.724 -1.735 577 HA ARG 71 HA ARG 71 2.333 -4.166 -2.145 578 HB2 ARG 71 HB3 ARG 71 2.279 -4.602 -4.566 579 HB3 ARG 71 HB2 ARG 71 3.951 -4.521 -4.009 580 HG2 ARG 71 HG3 ARG 71 4.322 -6.606 -4.758 581 HG3 ARG 71 HG2 ARG 71 3.035 -7.219 -3.718 582 HD2 ARG 71 HD3 ARG 71 1.906 -7.707 -5.631 583 HD3 ARG 71 HD2 ARG 71 1.684 -5.958 -5.832 584 HE ARG 71 HE ARG 71 4.309 -6.636 -6.713 585 HH11 ARG 71 HH11 ARG 71 0.982 -7.078 -7.526 586 HH12 ARG 71 HH12 ARG 71 1.281 -7.209 -9.226 587 HH21 ARG 71 HH21 ARG 71 4.712 -6.810 -8.927 588 HH22 ARG 71 HH22 ARG 71 3.391 -7.057 -10.019 589 H PHE 72 H PHE 72 0.082 -4.513 -2.502 590 HA PHE 72 HA PHE 72 -0.895 -7.318 -2.654 591 HB2 PHE 72 HB3 PHE 72 -2.436 -6.676 -0.675 592 HB3 PHE 72 HB2 PHE 72 -0.747 -7.019 -0.303 593 HD1 PHE 72 HD1 PHE 72 0.537 -5.436 0.851 594 HD2 PHE 72 HD2 PHE 72 -3.032 -4.183 -1.185 595 HE1 PHE 72 HE1 PHE 72 0.789 -3.162 1.810 596 HE2 PHE 72 HE2 PHE 72 -2.780 -1.910 -0.227 597 HZ PHE 72 HZ PHE 72 -0.871 -1.399 1.270 598 H HIS 73 H HIS 73 -3.262 -7.367 -3.117 599 HA HIS 73 HA HIS 73 -4.040 -5.051 -4.807 600 HB2 HIS 73 HB3 HIS 73 -5.204 -7.830 -4.426 601 HB3 HIS 73 HB2 HIS 73 -5.693 -6.681 -5.671 602 HD1 HIS 73 HD1 HIS 73 -4.871 -8.192 -7.608 603 HD2 HIS 73 HD2 HIS 73 -1.860 -7.164 -4.914 604 HE1 HIS 73 HE1 HIS 73 -2.682 -8.863 -8.688 605 H VAL 74 H VAL 74 -6.253 -4.198 -4.630 606 HA VAL 74 HA VAL 74 -7.461 -4.564 -1.907 607 HB VAL 74 HB VAL 74 -7.354 -2.003 -3.525 608 HG11 VAL 74 HG11 VAL 74 -8.743 -2.794 -1.193 609 HG12 VAL 74 HG12 VAL 74 -8.591 -1.162 -1.842 610 HG13 VAL 74 HG13 VAL 74 -7.433 -1.747 -0.648 611 HG21 VAL 74 HG21 VAL 74 -5.614 -1.764 -1.348 612 HG22 VAL 74 HG22 VAL 74 -5.144 -1.929 -3.040 613 HG23 VAL 74 HG23 VAL 74 -5.257 -3.358 -2.012 614 H GLU 75 H GLU 75 -9.668 -4.919 -1.937 615 HA GLU 75 HA GLU 75 -11.036 -4.773 -4.598 616 HB2 GLU 75 HB3 GLU 75 -10.652 -6.857 -2.831 617 HB3 GLU 75 HB2 GLU 75 -12.271 -6.301 -2.404 618 HG2 GLU 75 HG3 GLU 75 -12.974 -6.484 -4.749 619 HG3 GLU 75 HG2 GLU 75 -11.349 -6.989 -5.210 620 H SER 76 H SER 76 -12.454 -3.088 -4.755 621 HA SER 76 HA SER 76 -13.714 -2.042 -2.242 622 HB2 SER 76 HB3 SER 76 -13.233 -0.718 -4.929 623 HB3 SER 76 HB2 SER 76 -13.829 0.076 -3.475 624 HG SER 76 HG SER 76 -11.875 -0.073 -2.576 625 H LYS 77 H LYS 77 -15.945 -1.001 -2.755 626 HA LYS 77 HA LYS 77 -17.638 -3.030 -4.004 627 HB2 LYS 77 HB3 LYS 77 -17.936 -0.464 -2.486 628 HB3 LYS 77 HB2 LYS 77 -19.326 -1.052 -3.400 629 HG2 LYS 77 HG3 LYS 77 -19.731 -2.240 -1.490 630 HG3 LYS 77 HG2 LYS 77 -18.554 -3.352 -2.188 631 HD2 LYS 77 HD3 LYS 77 -17.012 -2.882 -0.601 632 HD3 LYS 77 HD2 LYS 77 -17.298 -1.145 -0.727 633 HE2 LYS 77 HE3 LYS 77 -19.606 -2.401 0.475 634 HE3 LYS 77 HE2 LYS 77 -18.140 -2.849 1.371 635 HZ1 LYS 77 HZ1 LYS 77 -18.940 -0.725 2.156 636 HZ2 LYS 77 HZ2 LYS 77 -18.943 -0.099 0.575 637 HZ3 LYS 77 HZ3 LYS 77 -17.476 -0.502 1.330 638 H LYS 78 H LYS 78 -16.122 -0.079 -5.020 639 HA LYS 78 HA LYS 78 -17.964 0.269 -7.325 640 HB2 LYS 78 HB3 LYS 78 -15.856 1.813 -5.890 641 HB3 LYS 78 HB2 LYS 78 -16.059 2.162 -7.607 642 HG2 LYS 78 HG3 LYS 78 -17.921 3.348 -7.181 643 HG3 LYS 78 HG2 LYS 78 -18.650 1.957 -6.379 644 HD2 LYS 78 HD3 LYS 78 -17.004 2.672 -4.412 645 HD3 LYS 78 HD2 LYS 78 -17.134 4.247 -5.196 646 HE2 LYS 78 HE3 LYS 78 -19.273 4.541 -4.474 647 HE3 LYS 78 HE2 LYS 78 -19.726 2.877 -4.893 648 HZ1 LYS 78 HZ1 LYS 78 -19.747 2.935 -2.561 649 HZ2 LYS 78 HZ2 LYS 78 -18.310 3.837 -2.474 650 HZ3 LYS 78 HZ3 LYS 78 -18.267 2.207 -2.951 651 H LYS 79 H LYS 79 -14.764 -0.925 -6.538 652 HA LYS 79 HA LYS 79 -14.462 -2.360 -8.998 653 HB2 LYS 79 HB3 LYS 79 -12.697 -0.869 -9.999 654 HB3 LYS 79 HB2 LYS 79 -14.298 -0.129 -9.962 655 HG2 LYS 79 HG3 LYS 79 -13.092 0.478 -7.478 656 HG3 LYS 79 HG2 LYS 79 -11.864 0.779 -8.710 657 HD2 LYS 79 HD3 LYS 79 -14.701 1.805 -8.954 658 HD3 LYS 79 HD2 LYS 79 -13.412 2.741 -8.197 659 HE2 LYS 79 HE3 LYS 79 -13.053 1.569 -10.961 660 HE3 LYS 79 HE2 LYS 79 -13.819 3.152 -10.721 661 HZ1 LYS 79 HZ1 LYS 79 -11.771 3.394 -9.080 662 HZ2 LYS 79 HZ2 LYS 79 -11.667 3.825 -10.720 663 HZ3 LYS 79 HZ3 LYS 79 -11.071 2.324 -10.193 664 H ILE 80 H ILE 80 -11.731 -2.502 -9.271 665 HA ILE 80 HA ILE 80 -10.776 -3.171 -6.503 666 HB ILE 80 HB ILE 80 -10.093 -4.615 -9.075 667 HG12 ILE 80 HG13 ILE 80 -12.366 -5.082 -7.125 668 HG13 ILE 80 HG12 ILE 80 -12.486 -4.795 -8.861 669 HG21 ILE 80 HG21 ILE 80 -10.051 -5.536 -6.188 670 HG22 ILE 80 HG22 ILE 80 -8.642 -4.896 -7.033 671 HG23 ILE 80 HG23 ILE 80 -9.397 -6.390 -7.586 672 HD11 ILE 80 HD11 ILE 80 -11.065 -7.178 -7.642 673 HD12 ILE 80 HD12 ILE 80 -11.417 -6.911 -9.350 674 HD13 ILE 80 HD13 ILE 80 -12.733 -7.216 -8.216 675 H ALA 81 H ALA 81 -8.705 -2.477 -6.004 676 HA ALA 81 HA ALA 81 -7.074 -1.268 -8.214 677 HB1 ALA 81 HB1 ALA 81 -8.367 0.320 -6.673 678 HB2 ALA 81 HB2 ALA 81 -6.628 0.601 -6.780 679 HB3 ALA 81 HB3 ALA 81 -7.303 -0.232 -5.379 680 H LEU 82 H LEU 82 -4.754 -1.344 -7.811 681 HA LEU 82 HA LEU 82 -3.978 -3.442 -5.813 682 HB2 LEU 82 HB3 LEU 82 -3.786 -3.843 -8.341 683 HB3 LEU 82 HB2 LEU 82 -2.507 -2.627 -8.330 684 HG LEU 82 HG LEU 82 -2.489 -5.039 -6.504 685 HD11 LEU 82 HD11 LEU 82 -1.951 -6.299 -8.290 686 HD12 LEU 82 HD12 LEU 82 -0.510 -5.304 -8.497 687 HD13 LEU 82 HD13 LEU 82 -1.998 -4.891 -9.352 688 HD21 LEU 82 HD21 LEU 82 -0.912 -3.654 -5.588 689 HD22 LEU 82 HD22 LEU 82 -0.720 -2.724 -7.074 690 HD23 LEU 82 HD23 LEU 82 0.089 -4.282 -6.897 691 H VAL 83 H VAL 83 -2.465 -2.839 -4.279 692 HA VAL 83 HA VAL 83 -1.190 -0.144 -4.617 693 HB VAL 83 HB VAL 83 -2.048 -1.667 -2.136 694 HG11 VAL 83 HG11 VAL 83 -1.666 0.897 -1.342 695 HG12 VAL 83 HG12 VAL 83 -0.429 0.780 -2.593 696 HG13 VAL 83 HG13 VAL 83 -0.414 -0.341 -1.232 697 HG21 VAL 83 HG21 VAL 83 -3.915 -0.247 -2.044 698 HG22 VAL 83 HG22 VAL 83 -3.780 -0.578 -3.771 699 HG23 VAL 83 HG23 VAL 83 -3.181 0.945 -3.116 700 H HIS 84 H HIS 84 0.992 -0.226 -4.824 701 HA HIS 84 HA HIS 84 2.461 -2.569 -3.653 702 HB2 HIS 84 HB3 HIS 84 2.256 -2.389 -6.180 703 HB3 HIS 84 HB2 HIS 84 3.192 -0.899 -6.078 704 HD1 HIS 84 HD1 HIS 84 3.941 -3.965 -7.206 705 HD2 HIS 84 HD2 HIS 84 5.492 -1.913 -3.924 706 HE1 HIS 84 HE1 HIS 84 6.204 -4.994 -6.721 707 H LEU 85 H LEU 85 3.973 -1.968 -2.123 708 HA LEU 85 HA LEU 85 5.003 0.844 -2.214 709 HB2 LEU 85 HB3 LEU 85 4.577 1.029 0.158 710 HB3 LEU 85 HB2 LEU 85 3.095 0.447 -0.603 711 HG LEU 85 HG LEU 85 4.248 -1.924 -0.102 712 HD11 LEU 85 HD11 LEU 85 6.146 -1.581 1.103 713 HD12 LEU 85 HD12 LEU 85 5.043 -1.312 2.453 714 HD13 LEU 85 HD13 LEU 85 5.677 0.061 1.545 715 HD21 LEU 85 HD21 LEU 85 2.557 -2.162 1.428 716 HD22 LEU 85 HD22 LEU 85 2.075 -0.578 0.818 717 HD23 LEU 85 HD23 LEU 85 3.012 -0.702 2.307 718 H GLU 86 H GLU 86 7.124 1.108 -1.446 719 HA GLU 86 HA GLU 86 8.648 -1.419 -0.900 720 HB2 GLU 86 HB3 GLU 86 8.888 0.490 -2.926 721 HB3 GLU 86 HB2 GLU 86 10.160 0.927 -1.787 722 HG2 GLU 86 HG3 GLU 86 10.799 -1.556 -1.783 723 HG3 GLU 86 HG2 GLU 86 9.754 -1.713 -3.196 724 H ALA 87 H ALA 87 9.755 -1.458 1.056 725 HA ALA 87 HA ALA 87 9.778 1.087 2.642 726 HB1 ALA 87 HB1 ALA 87 9.952 -1.699 3.770 727 HB2 ALA 87 HB2 ALA 87 8.396 -1.046 3.257 728 HB3 ALA 87 HB3 ALA 87 9.315 -0.239 4.527 729 H LYS 88 H LYS 88 11.670 1.577 3.843 730 HA LYS 88 HA LYS 88 14.082 -0.111 3.281 731 HB2 LYS 88 HB3 LYS 88 14.154 1.746 1.755 732 HB3 LYS 88 HB2 LYS 88 13.667 2.879 3.016 733 HG2 LYS 88 HG3 LYS 88 15.804 2.238 4.246 734 HG3 LYS 88 HG2 LYS 88 16.300 1.410 2.769 735 HD2 LYS 88 HD3 LYS 88 17.252 3.587 2.613 736 HD3 LYS 88 HD2 LYS 88 15.842 3.619 1.556 737 HE2 LYS 88 HE3 LYS 88 14.603 4.953 3.026 738 HE3 LYS 88 HE2 LYS 88 15.552 4.446 4.439 739 HZ1 LYS 88 HZ1 LYS 88 17.509 5.494 3.280 740 HZ2 LYS 88 HZ2 LYS 88 16.344 6.579 3.872 741 HZ3 LYS 88 HZ3 LYS 88 16.402 6.212 2.215 742 H GLU 89 H GLU 89 15.422 -0.360 5.078 743 HA GLU 89 HA GLU 89 14.405 0.651 7.657 744 HB2 GLU 89 HB3 GLU 89 15.902 -0.989 8.564 745 HB3 GLU 89 HB2 GLU 89 15.214 -1.712 7.111 746 HG2 GLU 89 HG3 GLU 89 17.464 -2.149 6.761 747 HG3 GLU 89 HG2 GLU 89 17.316 -0.589 5.952 748 H SER 90 H SER 90 15.428 2.212 8.898 749 HA SER 90 HA SER 90 17.891 3.471 7.734 750 HB2 SER 90 HB3 SER 90 15.873 4.790 9.549 751 HB3 SER 90 HB2 SER 90 16.991 5.553 8.421 752 HG SER 90 HG SER 90 14.617 4.114 7.910 753 H LYS 91 H LYS 91 19.672 3.508 9.069 754 HA LYS 91 HA LYS 91 20.991 2.973 10.967 755 HB2 LYS 91 HB3 LYS 91 18.940 4.951 11.502 756 HB3 LYS 91 HB2 LYS 91 19.344 4.068 12.976 757 HG2 LYS 91 HG3 LYS 91 21.382 5.344 11.126 758 HG3 LYS 91 HG2 LYS 91 20.799 6.068 12.626 759 HD2 LYS 91 HD3 LYS 91 21.778 3.271 12.825 760 HD3 LYS 91 HD2 LYS 91 23.002 4.502 12.512 761 HE2 LYS 91 HE3 LYS 91 21.306 5.586 14.507 762 HE3 LYS 91 HE2 LYS 91 21.658 3.917 14.997 763 HZ1 LYS 91 HZ1 LYS 91 23.551 6.097 14.386 764 HZ2 LYS 91 HZ2 LYS 91 24.030 4.475 14.232 765 HZ3 LYS 91 HZ3 LYS 91 23.513 5.072 15.736 766 H GLN 92 H GLN 92 20.208 2.429 13.618 767 HA GLN 92 HA GLN 92 18.653 -0.119 13.294 768 HB2 GLN 92 HB3 GLN 92 21.027 -0.504 13.651 769 HB3 GLN 92 HB2 GLN 92 21.041 0.612 15.017 770 HG2 GLN 92 HG3 GLN 92 20.184 -0.934 16.443 771 HG3 GLN 92 HG2 GLN 92 19.036 -1.533 15.244 772 HE21 GLN 92 HE21 GLN 92 19.697 -3.317 13.887 773 HE22 GLN 92 HE22 GLN 92 21.139 -4.171 14.153 774 H ASN 93 H ASN 93 17.865 2.734 14.182 775 HA ASN 93 HA ASN 93 16.707 1.938 16.836 776 HB2 ASN 93 HB3 ASN 93 18.570 3.926 16.275 777 HB3 ASN 93 HB2 ASN 93 17.044 4.807 16.343 778 HD21 ASN 93 HD21 ASN 93 18.164 1.925 18.202 779 HD22 ASN 93 HD22 ASN 93 17.933 2.636 19.726 780 H TYR 94 H TYR 94 15.387 1.486 14.345 781 HA TYR 94 HA TYR 94 12.889 2.893 14.797 782 HB2 TYR 94 HB3 TYR 94 14.721 4.401 13.518 783 HB3 TYR 94 HB2 TYR 94 14.059 3.540 12.129 784 HD1 TYR 94 HD1 TYR 94 12.833 5.244 15.248 785 HD2 TYR 94 HD2 TYR 94 12.223 4.489 11.063 786 HE1 TYR 94 HE1 TYR 94 10.853 6.737 15.267 787 HE2 TYR 94 HE2 TYR 94 10.242 5.982 11.082 788 HH TYR 94 HH TYR 94 8.901 7.237 12.323 789 H GLN 95 H GLN 95 11.493 2.496 12.588 790 HA GLN 95 HA GLN 95 11.985 -0.369 11.848 791 HB2 GLN 95 HB3 GLN 95 9.410 1.240 11.927 792 HB3 GLN 95 HB2 GLN 95 9.546 -0.500 11.671 793 HG2 GLN 95 HG3 GLN 95 10.712 0.757 14.144 794 HG3 GLN 95 HG2 GLN 95 8.992 0.377 14.070 795 HE21 GLN 95 HE21 GLN 95 12.204 -1.170 13.544 796 HE22 GLN 95 HE22 GLN 95 11.701 -2.719 14.025 797 HA PRO 96 HA PRO 96 12.497 0.483 7.587 798 HB2 PRO 96 HB3 PRO 96 10.034 -1.137 7.098 799 HB3 PRO 96 HB2 PRO 96 11.651 -1.304 6.387 800 HG2 PRO 96 HG3 PRO 96 10.716 -2.949 8.313 801 HG3 PRO 96 HG2 PRO 96 12.431 -2.558 8.117 802 HD2 PRO 96 HD3 PRO 96 10.565 -1.739 10.229 803 HD3 PRO 96 HD2 PRO 96 12.342 -1.748 10.227 804 H ASP 97 H ASP 97 11.682 2.040 6.132 805 HA ASP 97 HA ASP 97 8.990 3.187 6.804 806 HB2 ASP 97 HB3 ASP 97 11.673 4.294 6.716 807 HB3 ASP 97 HB2 ASP 97 10.606 5.156 5.606 808 H PHE 98 H PHE 98 7.720 3.865 5.014 809 HA PHE 98 HA PHE 98 8.091 2.422 2.546 810 HB2 PHE 98 HB3 PHE 98 6.316 4.748 3.350 811 HB3 PHE 98 HB2 PHE 98 6.107 3.799 1.878 812 HD1 PHE 98 HD1 PHE 98 4.422 4.186 4.652 813 HD2 PHE 98 HD2 PHE 98 6.784 1.077 2.863 814 HE1 PHE 98 HE1 PHE 98 3.147 2.484 5.928 815 HE2 PHE 98 HE2 PHE 98 5.509 -0.626 4.139 816 HZ PHE 98 HZ PHE 98 3.691 0.077 5.672 817 H ILE 99 H ILE 99 9.182 3.043 0.723 818 HA ILE 99 HA ILE 99 10.190 5.865 0.588 819 HB ILE 99 HB ILE 99 11.908 4.627 -0.980 820 HG12 ILE 99 HG13 ILE 99 11.128 2.314 0.801 821 HG13 ILE 99 HG12 ILE 99 10.461 2.491 -0.822 822 HG21 ILE 99 HG21 ILE 99 12.386 5.654 1.243 823 HG22 ILE 99 HG22 ILE 99 13.333 4.196 0.948 824 HG23 ILE 99 HG23 ILE 99 11.927 4.134 2.010 825 HD11 ILE 99 HD11 ILE 99 12.430 1.940 -1.829 826 HD12 ILE 99 HD12 ILE 99 12.800 1.197 -0.274 827 HD13 ILE 99 HD13 ILE 99 13.393 2.816 -0.639 828 H ASN 100 H ASN 100 8.251 3.458 -0.916 829 HA ASN 100 HA ASN 100 7.652 5.311 -3.159 830 HB2 ASN 100 HB3 ASN 100 8.343 2.400 -3.629 831 HB3 ASN 100 HB2 ASN 100 8.190 3.682 -4.830 832 HD21 ASN 100 HD21 ASN 100 10.082 4.837 -5.348 833 HD22 ASN 100 HD22 ASN 100 11.544 4.706 -4.496 834 H MET 101 H MET 101 5.430 5.309 -3.434 835 HA MET 101 HA MET 101 3.910 2.816 -2.872 836 HB2 MET 101 HB3 MET 101 4.267 4.875 -1.005 837 HB3 MET 101 HB2 MET 101 2.650 5.140 -1.659 838 HG2 MET 101 HG3 MET 101 2.945 2.339 -1.265 839 HG3 MET 101 HG2 MET 101 3.510 3.133 0.205 840 HE1 MET 101 HE1 MET 101 1.379 1.200 -0.431 841 HE2 MET 101 HE2 MET 101 -0.300 1.701 -0.246 842 HE3 MET 101 HE3 MET 101 0.759 1.656 1.162 843 H TYR 102 H TYR 102 2.642 2.575 -4.655 844 HA TYR 102 HA TYR 102 1.071 4.902 -5.631 845 HB2 TYR 102 HB3 TYR 102 1.892 4.664 -7.875 846 HB3 TYR 102 HB2 TYR 102 3.317 4.680 -6.836 847 HD1 TYR 102 HD1 TYR 102 0.918 2.376 -8.540 848 HD2 TYR 102 HD2 TYR 102 4.832 2.874 -6.845 849 HE1 TYR 102 HE1 TYR 102 1.578 0.149 -9.410 850 HE2 TYR 102 HE2 TYR 102 5.493 0.648 -7.714 851 HH TYR 102 HH TYR 102 3.149 -1.436 -9.392 852 H VAL 103 H VAL 103 -0.812 4.196 -6.877 853 HA VAL 103 HA VAL 103 -1.392 1.263 -6.596 854 HB VAL 103 HB VAL 103 -2.535 2.826 -4.986 855 HG11 VAL 103 HG11 VAL 103 -3.938 4.529 -5.707 856 HG12 VAL 103 HG12 VAL 103 -4.231 3.767 -7.270 857 HG13 VAL 103 HG13 VAL 103 -2.699 4.584 -6.961 858 HG21 VAL 103 HG21 VAL 103 -3.649 0.761 -5.389 859 HG22 VAL 103 HG22 VAL 103 -4.131 1.250 -7.014 860 HG23 VAL 103 HG23 VAL 103 -4.892 1.993 -5.606 861 H ASP 104 H ASP 104 -2.607 0.315 -8.299 862 HA ASP 104 HA ASP 104 -2.735 1.949 -10.808 863 HB2 ASP 104 HB3 ASP 104 -1.587 -0.537 -10.152 864 HB3 ASP 104 HB2 ASP 104 -3.022 -0.929 -11.101 865 H VAL 105 H VAL 105 -4.811 2.632 -11.183 866 HA VAL 105 HA VAL 105 -7.067 0.856 -10.334 867 HB VAL 105 HB VAL 105 -6.924 3.832 -10.912 868 HG11 VAL 105 HG11 VAL 105 -9.149 2.589 -11.270 869 HG12 VAL 105 HG12 VAL 105 -9.175 3.965 -10.165 870 HG13 VAL 105 HG13 VAL 105 -9.143 2.321 -9.527 871 HG21 VAL 105 HG21 VAL 105 -7.295 3.939 -8.394 872 HG22 VAL 105 HG22 VAL 105 -5.706 3.362 -8.895 873 HG23 VAL 105 HG23 VAL 105 -6.928 2.214 -8.351 874 HA PRO 106 HA PRO 106 -7.640 0.134 -14.686 875 HB2 PRO 106 HB3 PRO 106 -10.313 -0.832 -13.928 876 HB3 PRO 106 HB2 PRO 106 -8.965 -1.726 -14.652 877 HG2 PRO 106 HG3 PRO 106 -9.783 -2.060 -12.088 878 HG3 PRO 106 HG2 PRO 106 -8.129 -2.353 -12.641 879 HD2 PRO 106 HD3 PRO 106 -9.215 -0.095 -11.060 880 HD3 PRO 106 HD2 PRO 106 -7.588 -0.812 -11.051 881 H GLY 107 H GLY 107 -8.325 1.686 -16.116 882 HA2 GLY 107 HA3 GLY 107 -9.893 3.143 -17.162 883 HA3 GLY 107 HA2 GLY 107 -10.971 2.931 -15.784 884 H GLU 108 H GLU 108 -8.492 3.536 -14.020 885 HA GLU 108 HA GLU 108 -8.679 6.516 -14.324 886 HB2 GLU 108 HB3 GLU 108 -9.489 4.865 -12.268 887 HB3 GLU 108 HB2 GLU 108 -7.897 5.393 -11.720 888 HG2 GLU 108 HG3 GLU 108 -9.387 7.053 -10.909 889 HG3 GLU 108 HG2 GLU 108 -8.660 7.771 -12.347 890 H LYS 109 H LYS 109 -6.723 7.649 -13.306 891 HA LYS 109 HA LYS 109 -4.258 6.473 -14.408 892 HB2 LYS 109 HB3 LYS 109 -4.566 8.768 -14.854 893 HB3 LYS 109 HB2 LYS 109 -5.146 9.100 -13.223 894 HG2 LYS 109 HG3 LYS 109 -2.426 8.002 -13.272 895 HG3 LYS 109 HG2 LYS 109 -2.567 9.543 -14.119 896 HD2 LYS 109 HD3 LYS 109 -4.000 9.419 -11.539 897 HD3 LYS 109 HD2 LYS 109 -2.245 9.311 -11.413 898 HE2 LYS 109 HE3 LYS 109 -2.442 11.618 -11.445 899 HE3 LYS 109 HE2 LYS 109 -2.434 11.342 -13.198 900 HZ1 LYS 109 HZ1 LYS 109 -4.744 11.403 -13.301 901 HZ2 LYS 109 HZ2 LYS 109 -4.383 12.655 -12.212 902 HZ3 LYS 109 HZ3 LYS 109 -4.934 11.156 -11.633 903 H ARG 110 H ARG 110 -2.550 5.692 -13.171 904 HA ARG 110 HA ARG 110 -2.975 4.741 -10.522 905 HB2 ARG 110 HB3 ARG 110 -0.521 4.332 -10.633 906 HB3 ARG 110 HB2 ARG 110 -1.328 3.860 -12.129 907 HG2 ARG 110 HG3 ARG 110 -0.680 6.600 -12.412 908 HG3 ARG 110 HG2 ARG 110 0.755 5.818 -11.747 909 HD2 ARG 110 HD3 ARG 110 1.033 4.442 -13.605 910 HD3 ARG 110 HD2 ARG 110 -0.692 4.483 -14.018 911 HE ARG 110 HE ARG 110 0.038 7.115 -14.290 912 HH11 ARG 110 HH11 ARG 110 1.351 4.127 -15.419 913 HH12 ARG 110 HH12 ARG 110 1.997 4.811 -16.873 914 HH21 ARG 110 HH21 ARG 110 0.871 8.017 -16.188 915 HH22 ARG 110 HH22 ARG 110 1.724 7.008 -17.309 916 H TYR 111 H TYR 111 -2.807 5.791 -8.557 917 HA TYR 111 HA TYR 111 -1.704 8.576 -8.575 918 HB2 TYR 111 HB3 TYR 111 -4.144 7.923 -7.941 919 HB3 TYR 111 HB2 TYR 111 -3.432 7.325 -6.442 920 HD1 TYR 111 HD1 TYR 111 -2.053 8.902 -5.015 921 HD2 TYR 111 HD2 TYR 111 -4.458 10.253 -8.307 922 HE1 TYR 111 HE1 TYR 111 -1.964 11.217 -4.130 923 HE2 TYR 111 HE2 TYR 111 -4.370 12.567 -7.421 924 HH TYR 111 HH TYR 111 -3.022 13.279 -4.274 925 H TYR 112 H TYR 112 0.097 8.999 -7.347 926 HA TYR 112 HA TYR 112 1.374 6.770 -5.887 927 HB2 TYR 112 HB3 TYR 112 2.123 9.578 -6.723 928 HB3 TYR 112 HB2 TYR 112 3.174 8.611 -5.689 929 HD1 TYR 112 HD1 TYR 112 1.448 8.653 -8.993 930 HD2 TYR 112 HD2 TYR 112 4.547 6.896 -6.591 931 HE1 TYR 112 HE1 TYR 112 2.328 7.475 -10.990 932 HE2 TYR 112 HE2 TYR 112 5.425 5.716 -8.587 933 HH TYR 112 HH TYR 112 5.326 6.154 -11.172 934 H LEU 113 H LEU 113 1.414 6.624 -3.659 935 HA LEU 113 HA LEU 113 -0.079 8.649 -2.095 936 HB2 LEU 113 HB3 LEU 113 0.308 5.864 -2.048 937 HB3 LEU 113 HB2 LEU 113 1.149 6.463 -0.618 938 HG LEU 113 HG LEU 113 -1.190 5.988 -0.065 939 HD11 LEU 113 HD11 LEU 113 0.096 8.549 0.203 940 HD12 LEU 113 HD12 LEU 113 -1.003 7.748 1.327 941 HD13 LEU 113 HD13 LEU 113 -1.644 8.788 0.054 942 HD21 LEU 113 HD21 LEU 113 -2.514 8.080 -1.491 943 HD22 LEU 113 HD22 LEU 113 -2.799 6.343 -1.600 944 HD23 LEU 113 HD23 LEU 113 -1.621 7.111 -2.664 945 H ILE 114 H ILE 114 3.212 7.538 -2.627 946 HA ILE 114 HA ILE 114 4.181 9.685 -0.773 947 HB ILE 114 HB ILE 114 5.122 6.818 -1.087 948 HG12 ILE 114 HG13 ILE 114 4.018 8.380 1.272 949 HG13 ILE 114 HG12 ILE 114 3.157 7.132 0.369 950 HG21 ILE 114 HG21 ILE 114 6.300 8.935 0.726 951 HG22 ILE 114 HG22 ILE 114 6.968 8.568 -0.864 952 HG23 ILE 114 HG23 ILE 114 6.937 7.327 0.388 953 HD11 ILE 114 HD11 ILE 114 5.712 6.095 1.174 954 HD12 ILE 114 HD12 ILE 114 4.104 5.530 1.630 955 HD13 ILE 114 HD13 ILE 114 4.904 6.779 2.585 956 H LYS 115 H LYS 115 5.245 7.381 -3.309 957 HA LYS 115 HA LYS 115 7.484 8.998 -4.165 958 HB2 LYS 115 HB3 LYS 115 6.214 6.465 -4.719 959 HB3 LYS 115 HB2 LYS 115 6.601 7.276 -6.238 960 HG2 LYS 115 HG3 LYS 115 8.571 6.914 -3.964 961 HG3 LYS 115 HG2 LYS 115 8.471 5.844 -5.363 962 HD2 LYS 115 HD3 LYS 115 8.760 8.816 -5.746 963 HD3 LYS 115 HD2 LYS 115 10.179 7.819 -5.420 964 HE2 LYS 115 HE3 LYS 115 8.608 6.488 -7.417 965 HE3 LYS 115 HE2 LYS 115 8.845 8.174 -7.920 966 HZ1 LYS 115 HZ1 LYS 115 10.868 6.131 -7.277 967 HZ2 LYS 115 HZ2 LYS 115 11.235 7.775 -7.053 968 HZ3 LYS 115 HZ3 LYS 115 10.809 7.199 -8.594 Start of MODEL 5 1 H1 GLY 1 H GLY 1 1.668 -14.678 12.243 2 HA2 GLY 1 HA3 GLY 1 4.280 -13.920 11.928 3 HA3 GLY 1 HA2 GLY 1 3.671 -13.851 10.274 4 H SER 2 H SER 2 4.369 -11.817 12.616 5 HA SER 2 HA SER 2 1.859 -10.282 12.773 6 HB2 SER 2 HB3 SER 2 3.255 -10.322 14.714 7 HB3 SER 2 HB2 SER 2 4.698 -9.958 13.772 8 HG SER 2 HG SER 2 2.546 -8.169 13.699 9 H ASP 3 H ASP 3 4.055 -10.690 10.357 10 HA ASP 3 HA ASP 3 4.701 -7.997 9.562 11 HB2 ASP 3 HB3 ASP 3 4.497 -10.682 8.184 12 HB3 ASP 3 HB2 ASP 3 5.006 -9.233 7.317 13 H THR 4 H THR 4 1.892 -10.067 9.071 14 HA THR 4 HA THR 4 0.624 -8.791 6.898 15 HB THR 4 HB THR 4 -0.479 -10.025 9.444 16 HG1 THR 4 HG1 THR 4 -0.823 -11.721 7.707 17 HG21 THR 4 HG21 THR 4 -2.456 -10.470 7.794 18 HG22 THR 4 HG22 THR 4 -1.793 -9.101 6.904 19 HG23 THR 4 HG23 THR 4 -2.331 -8.892 8.570 20 H GLN 5 H GLN 5 0.720 -7.881 10.331 21 HA GLN 5 HA GLN 5 -1.215 -5.795 10.290 22 HB2 GLN 5 HB3 GLN 5 1.296 -6.376 11.870 23 HB3 GLN 5 HB2 GLN 5 0.294 -4.969 12.228 24 HG2 GLN 5 HG3 GLN 5 -1.462 -6.243 13.008 25 HG3 GLN 5 HG2 GLN 5 -1.083 -7.601 11.949 26 HE21 GLN 5 HE21 GLN 5 -1.235 -9.005 13.923 27 HE22 GLN 5 HE22 GLN 5 0.078 -9.076 14.997 28 H LEU 6 H LEU 6 2.174 -5.875 9.292 29 HA LEU 6 HA LEU 6 2.667 -3.076 9.073 30 HB2 LEU 6 HB3 LEU 6 3.950 -5.498 8.562 31 HB3 LEU 6 HB2 LEU 6 3.844 -4.742 6.972 32 HG LEU 6 HG LEU 6 4.782 -2.638 8.001 33 HD11 LEU 6 HD11 LEU 6 6.136 -3.497 10.210 34 HD12 LEU 6 HD12 LEU 6 4.625 -4.390 10.380 35 HD13 LEU 6 HD13 LEU 6 4.603 -2.630 10.274 36 HD21 LEU 6 HD21 LEU 6 7.115 -3.824 8.433 37 HD22 LEU 6 HD22 LEU 6 6.409 -3.806 6.818 38 HD23 LEU 6 HD23 LEU 6 6.259 -5.243 7.829 39 H PHE 7 H PHE 7 1.268 -5.393 6.750 40 HA PHE 7 HA PHE 7 0.898 -3.386 4.669 41 HB2 PHE 7 HB3 PHE 7 0.768 -5.334 3.523 42 HB3 PHE 7 HB2 PHE 7 0.779 -6.225 5.039 43 HD1 PHE 7 HD1 PHE 7 -0.991 -7.688 5.367 44 HD2 PHE 7 HD2 PHE 7 -1.646 -4.115 3.072 45 HE1 PHE 7 HE1 PHE 7 -3.348 -8.360 4.990 46 HE2 PHE 7 HE2 PHE 7 -4.003 -4.789 2.695 47 HZ PHE 7 HZ PHE 7 -4.853 -6.913 3.655 48 H ASN 8 H ASN 8 -1.062 -4.765 7.268 49 HA ASN 8 HA ASN 8 -3.642 -3.907 6.531 50 HB2 ASN 8 HB3 ASN 8 -2.133 -4.590 8.971 51 HB3 ASN 8 HB2 ASN 8 -3.531 -3.555 9.259 52 HD21 ASN 8 HD21 ASN 8 -2.643 -6.582 7.508 53 HD22 ASN 8 HD22 ASN 8 -4.153 -7.325 7.730 54 H ARG 9 H ARG 9 -1.104 -2.095 8.287 55 HA ARG 9 HA ARG 9 -2.679 0.311 8.567 56 HB2 ARG 9 HB3 ARG 9 -0.426 1.262 9.161 57 HB3 ARG 9 HB2 ARG 9 -0.823 -0.211 10.044 58 HG2 ARG 9 HG3 ARG 9 0.706 -1.497 8.859 59 HG3 ARG 9 HG2 ARG 9 0.667 -0.434 7.454 60 HD2 ARG 9 HD3 ARG 9 1.829 0.421 10.123 61 HD3 ARG 9 HD2 ARG 9 2.805 -0.262 8.805 62 HE ARG 9 HE ARG 9 1.372 1.687 7.516 63 HH11 ARG 9 HH11 ARG 9 3.247 1.608 10.416 64 HH12 ARG 9 HH12 ARG 9 3.730 3.266 10.300 65 HH21 ARG 9 HH21 ARG 9 1.991 3.851 7.360 66 HH22 ARG 9 HH22 ARG 9 3.021 4.536 8.573 67 H ALA 10 H ALA 10 -0.465 -0.909 6.097 68 HA ALA 10 HA ALA 10 -0.140 1.569 4.652 69 HB1 ALA 10 HB1 ALA 10 0.279 -0.330 2.801 70 HB2 ALA 10 HB2 ALA 10 0.284 -1.360 4.233 71 HB3 ALA 10 HB3 ALA 10 1.438 -0.034 4.098 72 H VAL 11 H VAL 11 -2.390 -1.178 4.344 73 HA VAL 11 HA VAL 11 -3.777 -0.133 2.037 74 HB VAL 11 HB VAL 11 -3.551 -2.505 3.395 75 HG11 VAL 11 HG11 VAL 11 -5.874 -3.082 4.144 76 HG12 VAL 11 HG12 VAL 11 -6.297 -1.375 4.007 77 HG13 VAL 11 HG13 VAL 11 -5.081 -1.891 5.176 78 HG21 VAL 11 HG21 VAL 11 -5.956 -2.634 1.870 79 HG22 VAL 11 HG22 VAL 11 -4.331 -3.124 1.390 80 HG23 VAL 11 HG23 VAL 11 -4.880 -1.476 1.089 81 H SER 12 H SER 12 -4.166 0.204 5.530 82 HA SER 12 HA SER 12 -6.812 1.278 5.593 83 HB2 SER 12 HB3 SER 12 -4.802 0.619 7.364 84 HB3 SER 12 HB2 SER 12 -4.861 2.372 7.510 85 HG SER 12 HG SER 12 -7.214 2.049 7.705 86 H MET 13 H MET 13 -3.652 2.984 5.518 87 HA MET 13 HA MET 13 -4.785 5.621 5.324 88 HB2 MET 13 HB3 MET 13 -2.482 6.238 4.788 89 HB3 MET 13 HB2 MET 13 -2.466 4.997 6.041 90 HG2 MET 13 HG3 MET 13 -2.011 3.268 4.383 91 HG3 MET 13 HG2 MET 13 -2.140 4.447 3.077 92 HE1 MET 13 HE1 MET 13 1.205 3.320 2.868 93 HE2 MET 13 HE2 MET 13 0.912 4.901 2.148 94 HE3 MET 13 HE3 MET 13 -0.372 3.695 2.160 95 H VAL 14 H VAL 14 -3.935 3.169 2.933 96 HA VAL 14 HA VAL 14 -4.169 4.916 0.621 97 HB VAL 14 HB VAL 14 -4.168 1.922 1.081 98 HG11 VAL 14 HG11 VAL 14 -5.415 2.399 -0.976 99 HG12 VAL 14 HG12 VAL 14 -3.832 1.728 -1.373 100 HG13 VAL 14 HG13 VAL 14 -4.122 3.460 -1.533 101 HG21 VAL 14 HG21 VAL 14 -2.042 3.343 -0.430 102 HG22 VAL 14 HG22 VAL 14 -1.903 2.040 0.750 103 HG23 VAL 14 HG23 VAL 14 -2.131 3.703 1.294 104 H GLU 15 H GLU 15 -6.364 2.649 2.290 105 HA GLU 15 HA GLU 15 -8.500 2.930 0.341 106 HB2 GLU 15 HB3 GLU 15 -9.752 1.631 1.990 107 HB3 GLU 15 HB2 GLU 15 -8.117 0.982 1.865 108 HG2 GLU 15 HG3 GLU 15 -7.435 2.115 3.879 109 HG3 GLU 15 HG2 GLU 15 -8.953 3.009 3.953 110 H LYS 16 H LYS 16 -7.521 4.713 3.210 111 HA LYS 16 HA LYS 16 -10.103 6.196 3.229 112 HB2 LYS 16 HB3 LYS 16 -9.425 6.912 5.402 113 HB3 LYS 16 HB2 LYS 16 -8.919 5.229 5.294 114 HG2 LYS 16 HG3 LYS 16 -6.668 5.768 5.172 115 HG3 LYS 16 HG2 LYS 16 -6.969 7.345 4.448 116 HD2 LYS 16 HD3 LYS 16 -6.769 8.271 6.484 117 HD3 LYS 16 HD2 LYS 16 -8.221 7.401 6.979 118 HE2 LYS 16 HE3 LYS 16 -7.026 5.758 8.076 119 HE3 LYS 16 HE2 LYS 16 -5.660 5.857 6.949 120 HZ1 LYS 16 HZ1 LYS 16 -4.885 7.803 7.926 121 HZ2 LYS 16 HZ2 LYS 16 -5.366 6.877 9.266 122 HZ3 LYS 16 HZ3 LYS 16 -6.360 8.132 8.697 123 H ASN 17 H ASN 17 -6.850 6.468 2.118 124 HA ASN 17 HA ASN 17 -6.191 9.152 2.187 125 HB2 ASN 17 HB3 ASN 17 -5.442 6.871 0.798 126 HB3 ASN 17 HB2 ASN 17 -5.941 7.969 -0.489 127 HD21 ASN 17 HD21 ASN 17 -4.521 9.674 -1.021 128 HD22 ASN 17 HD22 ASN 17 -3.107 10.036 -0.155 129 H LYS 18 H LYS 18 -7.269 10.986 1.579 130 HA LYS 18 HA LYS 18 -9.816 10.963 0.262 131 HB2 LYS 18 HB3 LYS 18 -9.452 13.417 0.245 132 HB3 LYS 18 HB2 LYS 18 -8.992 12.716 1.797 133 HG2 LYS 18 HG3 LYS 18 -6.617 12.522 0.712 134 HG3 LYS 18 HG2 LYS 18 -7.225 13.739 -0.411 135 HD2 LYS 18 HD3 LYS 18 -6.302 15.071 1.272 136 HD3 LYS 18 HD2 LYS 18 -7.989 14.975 1.777 137 HE2 LYS 18 HE3 LYS 18 -7.474 13.778 3.649 138 HE3 LYS 18 HE2 LYS 18 -6.315 12.757 2.777 139 HZ1 LYS 18 HZ1 LYS 18 -5.507 15.509 2.921 140 HZ2 LYS 18 HZ2 LYS 18 -4.629 14.104 3.296 141 HZ3 LYS 18 HZ3 LYS 18 -5.659 14.798 4.454 142 H ASP 19 H ASP 19 -6.508 11.546 -0.923 143 HA ASP 19 HA ASP 19 -7.180 12.398 -3.563 144 HB2 ASP 19 HB3 ASP 19 -4.834 11.120 -2.186 145 HB3 ASP 19 HB2 ASP 19 -4.796 11.329 -3.938 146 H ILE 20 H ILE 20 -6.640 9.146 -2.199 147 HA ILE 20 HA ILE 20 -6.981 7.779 -4.750 148 HB ILE 20 HB ILE 20 -7.164 6.789 -1.884 149 HG12 ILE 20 HG13 ILE 20 -5.049 7.970 -2.287 150 HG13 ILE 20 HG12 ILE 20 -4.756 6.233 -2.195 151 HG21 ILE 20 HG21 ILE 20 -6.709 4.616 -2.779 152 HG22 ILE 20 HG22 ILE 20 -6.352 5.275 -4.377 153 HG23 ILE 20 HG23 ILE 20 -8.007 5.288 -3.766 154 HD11 ILE 20 HD11 ILE 20 -5.199 6.430 -4.837 155 HD12 ILE 20 HD12 ILE 20 -3.598 6.666 -4.134 156 HD13 ILE 20 HD13 ILE 20 -4.597 8.060 -4.543 157 H ARG 21 H ARG 21 -9.070 8.642 -2.024 158 HA ARG 21 HA ARG 21 -11.335 7.056 -2.509 159 HB2 ARG 21 HB3 ARG 21 -11.310 8.426 -0.592 160 HB3 ARG 21 HB2 ARG 21 -10.850 9.859 -1.511 161 HG2 ARG 21 HG3 ARG 21 -13.098 9.799 -2.623 162 HG3 ARG 21 HG2 ARG 21 -13.548 8.474 -1.550 163 HD2 ARG 21 HD3 ARG 21 -14.360 10.333 -0.367 164 HD3 ARG 21 HD2 ARG 21 -12.743 10.155 0.342 165 HE ARG 21 HE ARG 21 -12.161 12.184 -0.705 166 HH11 ARG 21 HH11 ARG 21 -14.797 10.642 -2.317 167 HH12 ARG 21 HH12 ARG 21 -15.011 11.921 -3.465 168 HH21 ARG 21 HH21 ARG 21 -12.432 13.858 -2.198 169 HH22 ARG 21 HH22 ARG 21 -13.675 13.739 -3.398 170 H SER 22 H SER 22 -10.366 10.101 -4.089 171 HA SER 22 HA SER 22 -12.695 10.502 -5.677 172 HB2 SER 22 HB3 SER 22 -11.437 12.269 -6.348 173 HB3 SER 22 HB2 SER 22 -10.208 11.674 -5.237 174 HG SER 22 HG SER 22 -9.128 11.623 -7.079 175 H LEU 23 H LEU 23 -9.808 8.508 -6.218 176 HA LEU 23 HA LEU 23 -10.460 7.810 -8.959 177 HB2 LEU 23 HB3 LEU 23 -8.752 6.315 -6.950 178 HB3 LEU 23 HB2 LEU 23 -8.582 6.319 -8.705 179 HG LEU 23 HG LEU 23 -8.032 8.590 -6.783 180 HD11 LEU 23 HD11 LEU 23 -6.463 6.690 -8.386 181 HD12 LEU 23 HD12 LEU 23 -5.974 7.656 -6.994 182 HD13 LEU 23 HD13 LEU 23 -5.971 8.369 -8.607 183 HD21 LEU 23 HD21 LEU 23 -8.218 8.663 -9.814 184 HD22 LEU 23 HD22 LEU 23 -7.624 9.979 -8.800 185 HD23 LEU 23 HD23 LEU 23 -9.311 9.475 -8.693 186 H LEU 24 H LEU 24 -10.959 6.237 -5.796 187 HA LEU 24 HA LEU 24 -12.317 3.931 -7.034 188 HB2 LEU 24 HB3 LEU 24 -11.354 4.820 -4.350 189 HB3 LEU 24 HB2 LEU 24 -12.642 3.617 -4.390 190 HG LEU 24 HG LEU 24 -10.376 3.146 -6.244 191 HD11 LEU 24 HD11 LEU 24 -9.488 3.987 -3.917 192 HD12 LEU 24 HD12 LEU 24 -8.796 2.532 -4.634 193 HD13 LEU 24 HD13 LEU 24 -10.005 2.397 -3.357 194 HD21 LEU 24 HD21 LEU 24 -11.555 1.220 -6.274 195 HD22 LEU 24 HD22 LEU 24 -12.487 1.697 -4.855 196 HD23 LEU 24 HD23 LEU 24 -10.923 0.907 -4.658 197 H GLN 25 H GLN 25 -13.204 7.064 -6.022 198 HA GLN 25 HA GLN 25 -15.319 8.076 -5.704 199 HB2 GLN 25 HB3 GLN 25 -16.312 5.489 -6.933 200 HB3 GLN 25 HB2 GLN 25 -17.078 7.075 -7.017 201 HG2 GLN 25 HG3 GLN 25 -15.293 7.943 -8.392 202 HG3 GLN 25 HG2 GLN 25 -14.339 6.477 -8.164 203 HE21 GLN 25 HE21 GLN 25 -14.853 4.632 -9.467 204 HE22 GLN 25 HE22 GLN 25 -16.041 4.662 -10.678 205 H CYS 26 H CYS 26 -14.225 6.491 -3.520 206 HA CYS 26 HA CYS 26 -16.529 5.006 -2.397 207 HB2 CYS 26 HB3 CYS 26 -14.895 4.290 -0.762 208 HB3 CYS 26 HB2 CYS 26 -14.113 4.241 -2.341 209 HG CYS 26 HG CYS 26 -12.424 5.594 -1.038 210 H ASP 27 H ASP 27 -17.363 5.581 -0.268 211 HA ASP 27 HA ASP 27 -17.493 8.510 0.140 212 HB2 ASP 27 HB3 ASP 27 -19.024 6.063 0.905 213 HB3 ASP 27 HB2 ASP 27 -19.167 7.467 1.961 214 H ASP 28 H ASP 28 -17.531 9.184 2.565 215 HA ASP 28 HA ASP 28 -16.149 7.697 4.571 216 HB2 ASP 28 HB3 ASP 28 -14.552 8.698 2.421 217 HB3 ASP 28 HB2 ASP 28 -14.138 9.614 3.871 218 H GLY 29 H GLY 29 -18.016 8.926 5.536 219 HA2 GLY 29 HA3 GLY 29 -17.101 11.608 6.456 220 HA3 GLY 29 HA2 GLY 29 -18.742 11.426 5.833 221 H ILE 30 H ILE 30 -18.627 12.307 8.365 222 HA ILE 30 HA ILE 30 -18.470 10.276 10.405 223 HB ILE 30 HB ILE 30 -18.274 12.749 10.706 224 HG12 ILE 30 HG13 ILE 30 -19.841 12.859 12.717 225 HG13 ILE 30 HG12 ILE 30 -20.431 11.269 12.232 226 HG21 ILE 30 HG21 ILE 30 -20.144 14.186 10.497 227 HG22 ILE 30 HG22 ILE 30 -21.282 12.838 10.459 228 HG23 ILE 30 HG23 ILE 30 -20.238 13.150 9.072 229 HD11 ILE 30 HD11 ILE 30 -17.786 12.045 13.364 230 HD12 ILE 30 HD12 ILE 30 -17.797 10.761 12.156 231 HD13 ILE 30 HD13 ILE 30 -18.741 10.588 13.636 232 H THR 31 H THR 31 -20.874 11.039 8.043 233 HA THR 31 HA THR 31 -22.959 9.538 9.583 234 HB THR 31 HB THR 31 -23.351 11.904 8.758 235 HG1 THR 31 HG1 THR 31 -25.349 11.307 8.675 236 HG21 THR 31 HG21 THR 31 -22.093 11.168 6.518 237 HG22 THR 31 HG22 THR 31 -23.322 12.433 6.515 238 HG23 THR 31 HG23 THR 31 -23.741 10.793 6.016 239 H GLY 32 H GLY 32 -20.612 8.910 7.370 240 HA2 GLY 32 HA3 GLY 32 -21.768 6.427 6.515 241 HA3 GLY 32 HA2 GLY 32 -21.866 7.603 5.202 242 H LYS 33 H LYS 33 -19.937 5.215 6.465 243 HA LYS 33 HA LYS 33 -17.476 6.431 5.249 244 HB2 LYS 33 HB3 LYS 33 -17.968 4.762 7.711 245 HB3 LYS 33 HB2 LYS 33 -16.377 4.776 6.948 246 HG2 LYS 33 HG3 LYS 33 -15.909 6.765 7.887 247 HG3 LYS 33 HG2 LYS 33 -17.346 7.476 7.150 248 HD2 LYS 33 HD3 LYS 33 -18.465 7.438 9.107 249 HD3 LYS 33 HD2 LYS 33 -18.052 5.745 9.379 250 HE2 LYS 33 HE3 LYS 33 -16.090 6.272 10.549 251 HE3 LYS 33 HE2 LYS 33 -15.962 7.878 9.802 252 HZ1 LYS 33 HZ1 LYS 33 -18.131 7.018 11.646 253 HZ2 LYS 33 HZ2 LYS 33 -17.962 8.559 10.948 254 HZ3 LYS 33 HZ3 LYS 33 -16.823 8.007 12.080 255 H GLU 34 H GLU 34 -16.475 5.187 3.682 256 HA GLU 34 HA GLU 34 -17.813 2.691 2.833 257 HB2 GLU 34 HB3 GLU 34 -17.166 4.508 1.261 258 HB3 GLU 34 HB2 GLU 34 -15.474 4.258 1.694 259 HG2 GLU 34 HG3 GLU 34 -15.298 2.474 0.323 260 HG3 GLU 34 HG2 GLU 34 -16.777 1.756 0.965 261 H ARG 35 H ARG 35 -16.822 0.645 2.888 262 HA ARG 35 HA ARG 35 -14.234 0.492 4.398 263 HB2 ARG 35 HB3 ARG 35 -16.362 -0.365 5.456 264 HB3 ARG 35 HB2 ARG 35 -16.453 -1.560 4.162 265 HG2 ARG 35 HG3 ARG 35 -13.802 -1.510 5.351 266 HG3 ARG 35 HG2 ARG 35 -15.040 -1.819 6.569 267 HD2 ARG 35 HD3 ARG 35 -15.959 -3.465 4.650 268 HD3 ARG 35 HD2 ARG 35 -14.234 -3.489 4.233 269 HE ARG 35 HE ARG 35 -13.857 -4.689 6.226 270 HH11 ARG 35 HH11 ARG 35 -16.784 -2.863 6.381 271 HH12 ARG 35 HH12 ARG 35 -17.226 -3.462 7.945 272 HH21 ARG 35 HH21 ARG 35 -14.428 -5.486 8.256 273 HH22 ARG 35 HH22 ARG 35 -15.892 -4.945 9.006 274 H LEU 36 H LEU 36 -12.566 -0.129 3.106 275 HA LEU 36 HA LEU 36 -13.142 -1.837 0.713 276 HB2 LEU 36 HB3 LEU 36 -10.838 0.016 1.401 277 HB3 LEU 36 HB2 LEU 36 -11.018 -0.859 -0.120 278 HG LEU 36 HG LEU 36 -13.168 0.997 0.905 279 HD11 LEU 36 HD11 LEU 36 -11.566 2.616 0.655 280 HD12 LEU 36 HD12 LEU 36 -11.988 2.437 -1.049 281 HD13 LEU 36 HD13 LEU 36 -10.570 1.612 -0.400 282 HD21 LEU 36 HD21 LEU 36 -13.817 -0.580 -0.850 283 HD22 LEU 36 HD22 LEU 36 -12.426 -0.104 -1.825 284 HD23 LEU 36 HD23 LEU 36 -13.730 1.047 -1.528 285 H LYS 37 H LYS 37 -11.893 -3.744 0.424 286 HA LYS 37 HA LYS 37 -10.200 -4.532 2.775 287 HB2 LYS 37 HB3 LYS 37 -11.067 -6.799 2.396 288 HB3 LYS 37 HB2 LYS 37 -12.407 -5.668 2.588 289 HG2 LYS 37 HG3 LYS 37 -11.918 -5.558 -0.128 290 HG3 LYS 37 HG2 LYS 37 -11.630 -7.257 0.246 291 HD2 LYS 37 HD3 LYS 37 -13.822 -7.385 1.372 292 HD3 LYS 37 HD2 LYS 37 -14.115 -5.688 0.992 293 HE2 LYS 37 HE3 LYS 37 -13.437 -6.756 -1.478 294 HE3 LYS 37 HE2 LYS 37 -14.408 -8.040 -0.731 295 HZ1 LYS 37 HZ1 LYS 37 -15.139 -5.168 -0.957 296 HZ2 LYS 37 HZ2 LYS 37 -16.030 -6.320 -0.082 297 HZ3 LYS 37 HZ3 LYS 37 -15.878 -6.462 -1.767 298 H ALA 38 H ALA 38 -8.194 -5.385 2.305 299 HA ALA 38 HA ALA 38 -7.522 -5.904 -0.570 300 HB1 ALA 38 HB1 ALA 38 -5.734 -4.540 1.462 301 HB2 ALA 38 HB2 ALA 38 -6.812 -3.645 0.390 302 HB3 ALA 38 HB3 ALA 38 -5.510 -4.621 -0.286 303 H TYR 39 H TYR 39 -5.630 -7.356 -0.813 304 HA TYR 39 HA TYR 39 -4.739 -8.833 1.592 305 HB2 TYR 39 HB3 TYR 39 -5.443 -10.989 0.267 306 HB3 TYR 39 HB2 TYR 39 -6.665 -10.110 1.182 307 HD1 TYR 39 HD1 TYR 39 -5.267 -10.673 -2.212 308 HD2 TYR 39 HD2 TYR 39 -8.466 -8.969 0.092 309 HE1 TYR 39 HE1 TYR 39 -6.573 -10.316 -4.290 310 HE2 TYR 39 HE2 TYR 39 -9.772 -8.612 -1.985 311 HH TYR 39 HH TYR 39 -8.374 -8.997 -5.126 312 H GLY 40 H GLY 40 -2.778 -9.973 1.205 313 HA2 GLY 40 HA3 GLY 40 -1.155 -8.986 -0.958 314 HA3 GLY 40 HA2 GLY 40 -0.692 -10.263 0.166 315 H GLU 41 H GLU 41 -0.022 -11.917 -1.133 316 HA GLU 41 HA GLU 41 -0.924 -12.516 -3.751 317 HB2 GLU 41 HB3 GLU 41 0.244 -14.620 -3.369 318 HB3 GLU 41 HB2 GLU 41 1.137 -13.328 -2.567 319 HG2 GLU 41 HG3 GLU 41 -0.166 -13.908 -0.455 320 HG3 GLU 41 HG2 GLU 41 -0.717 -15.356 -1.300 321 H LEU 42 H LEU 42 -2.476 -14.008 -4.528 322 HA LEU 42 HA LEU 42 -4.046 -15.768 -2.899 323 HB2 LEU 42 HB3 LEU 42 -4.675 -12.947 -2.827 324 HB3 LEU 42 HB2 LEU 42 -6.029 -13.845 -3.517 325 HG LEU 42 HG LEU 42 -4.639 -14.682 -0.963 326 HD11 LEU 42 HD11 LEU 42 -7.223 -13.670 -0.415 327 HD12 LEU 42 HD12 LEU 42 -6.428 -12.462 -1.423 328 HD13 LEU 42 HD13 LEU 42 -5.680 -12.982 0.087 329 HD21 LEU 42 HD21 LEU 42 -7.238 -15.567 -0.910 330 HD22 LEU 42 HD22 LEU 42 -5.869 -16.529 -1.468 331 HD23 LEU 42 HD23 LEU 42 -6.868 -15.660 -2.632 332 H ILE 43 H ILE 43 -3.915 -17.163 -4.697 333 HA ILE 43 HA ILE 43 -4.356 -16.450 -7.422 334 HB ILE 43 HB ILE 43 -4.619 -18.906 -7.677 335 HG12 ILE 43 HG13 ILE 43 -4.653 -18.912 -4.641 336 HG13 ILE 43 HG12 ILE 43 -6.060 -19.212 -5.662 337 HG21 ILE 43 HG21 ILE 43 -2.437 -19.437 -6.998 338 HG22 ILE 43 HG22 ILE 43 -2.561 -18.478 -5.523 339 HG23 ILE 43 HG23 ILE 43 -2.385 -17.676 -7.083 340 HD11 ILE 43 HD11 ILE 43 -4.124 -21.095 -4.806 341 HD12 ILE 43 HD12 ILE 43 -3.876 -20.871 -6.538 342 HD13 ILE 43 HD13 ILE 43 -5.457 -21.361 -5.930 343 H THR 44 H THR 44 -6.311 -17.929 -8.517 344 HA THR 44 HA THR 44 -8.746 -16.490 -7.879 345 HB THR 44 HB THR 44 -7.941 -18.755 -9.710 346 HG1 THR 44 HG1 THR 44 -7.508 -17.073 -10.858 347 HG21 THR 44 HG21 THR 44 -10.265 -19.180 -9.026 348 HG22 THR 44 HG22 THR 44 -10.202 -18.632 -10.701 349 HG23 THR 44 HG23 THR 44 -10.693 -17.517 -9.426 350 H ASN 45 H ASN 45 -8.002 -20.003 -7.792 351 HA ASN 45 HA ASN 45 -10.298 -20.936 -6.506 352 HB2 ASN 45 HB3 ASN 45 -7.664 -21.803 -7.122 353 HB3 ASN 45 HB2 ASN 45 -7.942 -22.203 -5.426 354 HD21 ASN 45 HD21 ASN 45 -7.854 -24.499 -6.544 355 HD22 ASN 45 HD22 ASN 45 -9.345 -25.121 -7.066 356 H ASP 46 H ASP 46 -11.027 -19.378 -4.926 357 HA ASP 46 HA ASP 46 -9.278 -18.670 -2.666 358 HB2 ASP 46 HB3 ASP 46 -11.741 -17.795 -3.933 359 HB3 ASP 46 HB2 ASP 46 -11.940 -17.895 -2.183 360 H LYS 47 H LYS 47 -10.518 -18.845 -0.416 361 HA LYS 47 HA LYS 47 -11.164 -20.327 1.309 362 HB2 LYS 47 HB3 LYS 47 -12.905 -21.150 -1.035 363 HB3 LYS 47 HB2 LYS 47 -13.172 -21.706 0.618 364 HG2 LYS 47 HG3 LYS 47 -13.090 -18.797 -0.227 365 HG3 LYS 47 HG2 LYS 47 -14.565 -19.723 0.040 366 HD2 LYS 47 HD3 LYS 47 -13.786 -20.184 2.379 367 HD3 LYS 47 HD2 LYS 47 -12.424 -19.099 2.092 368 HE2 LYS 47 HE3 LYS 47 -13.989 -17.640 3.067 369 HE3 LYS 47 HE2 LYS 47 -14.335 -17.415 1.340 370 HZ1 LYS 47 HZ1 LYS 47 -15.639 -19.529 2.953 371 HZ2 LYS 47 HZ2 LYS 47 -16.094 -18.947 1.423 372 HZ3 LYS 47 HZ3 LYS 47 -16.306 -17.978 2.803 373 H TRP 48 H TRP 48 -11.822 -22.964 1.378 374 HA TRP 48 HA TRP 48 -10.685 -25.048 1.518 375 HB2 TRP 48 HB3 TRP 48 -10.514 -24.290 -1.416 376 HB3 TRP 48 HB2 TRP 48 -10.338 -25.925 -0.783 377 HD1 TRP 48 HD1 TRP 48 -12.605 -26.135 1.265 378 HE1 TRP 48 HE1 TRP 48 -15.082 -26.041 0.555 379 HE3 TRP 48 HE3 TRP 48 -12.141 -23.771 -3.236 380 HZ2 TRP 48 HZ2 TRP 48 -16.658 -25.087 -1.635 381 HZ3 TRP 48 HZ3 TRP 48 -14.142 -23.282 -4.613 382 HH2 TRP 48 HH2 TRP 48 -16.398 -23.936 -3.819 383 H THR 49 H THR 49 -8.962 -22.562 1.795 384 HA THR 49 HA THR 49 -6.360 -23.930 1.430 385 HB THR 49 HB THR 49 -5.551 -21.763 0.279 386 HG1 THR 49 HG1 THR 49 -7.591 -20.990 -0.933 387 HG21 THR 49 HG21 THR 49 -7.590 -23.317 -1.314 388 HG22 THR 49 HG22 THR 49 -6.067 -24.041 -0.799 389 HG23 THR 49 HG23 THR 49 -6.060 -22.636 -1.866 390 H ARG 50 H ARG 50 -4.782 -23.129 2.879 391 HA ARG 50 HA ARG 50 -5.822 -21.275 4.973 392 HB2 ARG 50 HB3 ARG 50 -5.036 -23.534 5.598 393 HB3 ARG 50 HB2 ARG 50 -3.462 -23.183 4.884 394 HG2 ARG 50 HG3 ARG 50 -3.318 -22.825 7.283 395 HG3 ARG 50 HG2 ARG 50 -3.231 -21.261 6.475 396 HD2 ARG 50 HD3 ARG 50 -5.947 -21.548 6.821 397 HD3 ARG 50 HD2 ARG 50 -5.302 -22.300 8.295 398 HE ARG 50 HE ARG 50 -3.761 -20.053 8.092 399 HH11 ARG 50 HH11 ARG 50 -7.161 -20.637 7.896 400 HH12 ARG 50 HH12 ARG 50 -7.593 -19.076 8.508 401 HH21 ARG 50 HH21 ARG 50 -4.314 -18.015 8.877 402 HH22 ARG 50 HH22 ARG 50 -5.984 -17.593 9.062 403 H ASN 51 H ASN 51 -5.377 -19.449 3.363 404 HA ASN 51 HA ASN 51 -3.000 -18.658 2.226 405 HB2 ASN 51 HB3 ASN 51 -5.259 -17.465 2.418 406 HB3 ASN 51 HB2 ASN 51 -4.682 -16.834 3.960 407 HD21 ASN 51 HD21 ASN 51 -2.337 -15.798 3.750 408 HD22 ASN 51 HD22 ASN 51 -2.092 -14.824 2.381 409 H ARG 52 H ARG 52 -0.950 -18.597 3.032 410 HA ARG 52 HA ARG 52 -0.400 -18.604 5.898 411 HB2 ARG 52 HB3 ARG 52 0.981 -18.942 3.328 412 HB3 ARG 52 HB2 ARG 52 1.967 -18.122 4.538 413 HG2 ARG 52 HG3 ARG 52 1.514 -19.937 6.147 414 HG3 ARG 52 HG2 ARG 52 0.531 -20.762 4.937 415 HD2 ARG 52 HD3 ARG 52 2.363 -21.529 3.799 416 HD3 ARG 52 HD2 ARG 52 3.263 -20.019 4.043 417 HE ARG 52 HE ARG 52 3.087 -21.075 6.591 418 HH11 ARG 52 HH11 ARG 52 4.128 -22.239 3.510 419 HH12 ARG 52 HH12 ARG 52 5.305 -23.321 4.173 420 HH21 ARG 52 HH21 ARG 52 4.618 -22.488 7.466 421 HH22 ARG 52 HH22 ARG 52 5.582 -23.464 6.407 422 HA PRO 53 HA PRO 53 0.234 -14.392 6.822 423 HB2 PRO 53 HB3 PRO 53 2.846 -14.345 7.753 424 HB3 PRO 53 HB2 PRO 53 1.442 -14.861 8.708 425 HG2 PRO 53 HG3 PRO 53 3.450 -16.507 7.262 426 HG3 PRO 53 HG2 PRO 53 2.668 -16.794 8.825 427 HD2 PRO 53 HD3 PRO 53 1.915 -18.102 6.600 428 HD3 PRO 53 HD2 PRO 53 0.747 -17.638 7.860 429 H ILE 54 H ILE 54 1.432 -12.441 6.162 430 HA ILE 54 HA ILE 54 2.371 -12.585 3.405 431 HB ILE 54 HB ILE 54 2.088 -10.423 5.507 432 HG12 ILE 54 HG13 ILE 54 -0.013 -11.318 4.635 433 HG13 ILE 54 HG12 ILE 54 0.243 -9.698 3.985 434 HG21 ILE 54 HG21 ILE 54 3.921 -9.819 3.977 435 HG22 ILE 54 HG22 ILE 54 2.508 -8.804 3.686 436 HG23 ILE 54 HG23 ILE 54 2.878 -10.137 2.592 437 HD11 ILE 54 HD11 ILE 54 -0.377 -10.949 2.087 438 HD12 ILE 54 HD12 ILE 54 0.563 -12.353 2.598 439 HD13 ILE 54 HD13 ILE 54 1.385 -10.914 1.995 440 H VAL 55 H VAL 55 4.483 -12.806 2.781 441 HA VAL 55 HA VAL 55 6.611 -12.592 4.866 442 HB VAL 55 HB VAL 55 6.298 -14.715 3.615 443 HG11 VAL 55 HG11 VAL 55 5.873 -14.691 1.404 444 HG12 VAL 55 HG12 VAL 55 7.394 -13.856 1.091 445 HG13 VAL 55 HG13 VAL 55 5.936 -12.929 1.443 446 HG21 VAL 55 HG21 VAL 55 8.526 -14.992 3.813 447 HG22 VAL 55 HG22 VAL 55 8.698 -13.243 3.955 448 HG23 VAL 55 HG23 VAL 55 8.804 -14.013 2.372 449 H SER 56 H SER 56 8.554 -11.401 4.366 450 HA SER 56 HA SER 56 8.228 -9.391 2.161 451 HB2 SER 56 HB3 SER 56 9.676 -9.084 4.806 452 HB3 SER 56 HB2 SER 56 9.276 -7.807 3.661 453 HG SER 56 HG SER 56 7.534 -9.367 5.263 454 H THR 57 H THR 57 10.134 -8.844 0.993 455 HA THR 57 HA THR 57 12.273 -10.908 1.138 456 HB THR 57 HB THR 57 12.806 -9.946 -1.131 457 HG1 THR 57 HG1 THR 57 11.750 -8.243 -1.817 458 HG21 THR 57 HG21 THR 57 11.304 -11.859 -0.956 459 HG22 THR 57 HG22 THR 57 10.714 -10.765 -2.208 460 HG23 THR 57 HG23 THR 57 9.940 -10.791 -0.623 461 H LYS 58 H LYS 58 14.424 -10.326 1.560 462 HA LYS 58 HA LYS 58 14.870 -7.485 2.400 463 HB2 LYS 58 HB3 LYS 58 16.654 -8.513 3.808 464 HB3 LYS 58 HB2 LYS 58 15.065 -9.202 4.144 465 HG2 LYS 58 HG3 LYS 58 16.237 -10.687 2.000 466 HG3 LYS 58 HG2 LYS 58 17.428 -10.563 3.296 467 HD2 LYS 58 HD3 LYS 58 14.552 -11.394 3.756 468 HD3 LYS 58 HD2 LYS 58 15.865 -12.544 3.495 469 HE2 LYS 58 HE3 LYS 58 16.958 -10.954 5.440 470 HE3 LYS 58 HE2 LYS 58 15.242 -10.933 5.894 471 HZ1 LYS 58 HZ1 LYS 58 15.308 -13.414 5.433 472 HZ2 LYS 58 HZ2 LYS 58 16.078 -12.884 6.851 473 HZ3 LYS 58 HZ3 LYS 58 16.998 -13.279 5.479 474 H LYS 59 H LYS 59 16.213 -6.309 1.105 475 HA LYS 59 HA LYS 59 18.415 -7.695 -0.354 476 HB2 LYS 59 HB3 LYS 59 16.046 -6.225 -1.446 477 HB3 LYS 59 HB2 LYS 59 17.585 -6.057 -2.292 478 HG2 LYS 59 HG3 LYS 59 17.772 -8.509 -2.460 479 HG3 LYS 59 HG2 LYS 59 16.239 -8.686 -1.605 480 HD2 LYS 59 HD3 LYS 59 15.792 -6.861 -3.737 481 HD3 LYS 59 HD2 LYS 59 16.677 -8.232 -4.407 482 HE2 LYS 59 HE3 LYS 59 14.950 -9.658 -2.998 483 HE3 LYS 59 HE2 LYS 59 13.967 -8.185 -3.111 484 HZ1 LYS 59 HZ1 LYS 59 14.677 -10.054 -5.171 485 HZ2 LYS 59 HZ2 LYS 59 15.041 -8.452 -5.601 486 HZ3 LYS 59 HZ3 LYS 59 13.456 -8.878 -5.160 487 H LEU 60 H LEU 60 20.277 -6.442 -0.391 488 HA LEU 60 HA LEU 60 20.046 -3.670 0.720 489 HB2 LEU 60 HB3 LEU 60 22.359 -4.074 1.487 490 HB3 LEU 60 HB2 LEU 60 21.281 -5.350 2.053 491 HG LEU 60 HG LEU 60 22.272 -6.064 -0.545 492 HD11 LEU 60 HD11 LEU 60 24.635 -6.104 -0.199 493 HD12 LEU 60 HD12 LEU 60 24.468 -5.625 1.490 494 HD13 LEU 60 HD13 LEU 60 24.126 -4.465 0.207 495 HD21 LEU 60 HD21 LEU 60 22.952 -8.066 0.628 496 HD22 LEU 60 HD22 LEU 60 21.428 -7.531 1.337 497 HD23 LEU 60 HD23 LEU 60 22.948 -7.220 2.175 498 H ASP 61 H ASP 61 21.117 -1.976 -0.355 499 HA ASP 61 HA ASP 61 21.783 -2.472 -3.197 500 HB2 ASP 61 HB3 ASP 61 20.950 -0.250 -1.437 501 HB3 ASP 61 HB2 ASP 61 22.084 0.212 -2.707 502 H LYS 62 H LYS 62 23.647 -0.450 -3.638 503 HA LYS 62 HA LYS 62 26.128 -1.712 -2.905 504 HB2 LYS 62 HB3 LYS 62 25.987 -0.477 -4.937 505 HB3 LYS 62 HB2 LYS 62 25.311 0.933 -4.121 506 HG2 LYS 62 HG3 LYS 62 27.934 0.085 -3.079 507 HG3 LYS 62 HG2 LYS 62 27.965 0.635 -4.755 508 HD2 LYS 62 HD3 LYS 62 26.309 2.471 -3.441 509 HD3 LYS 62 HD2 LYS 62 27.642 2.192 -2.321 510 HE2 LYS 62 HE3 LYS 62 28.681 3.790 -3.616 511 HE3 LYS 62 HE2 LYS 62 29.011 2.405 -4.676 512 HZ1 LYS 62 HZ1 LYS 62 26.377 3.633 -4.898 513 HZ2 LYS 62 HZ2 LYS 62 27.374 2.977 -6.107 514 HZ3 LYS 62 HZ3 LYS 62 27.677 4.538 -5.505 515 H GLU 63 H GLU 63 24.196 0.807 -1.414 516 HA GLU 63 HA GLU 63 26.355 1.827 0.280 517 HB2 GLU 63 HB3 GLU 63 23.363 2.172 0.060 518 HB3 GLU 63 HB2 GLU 63 24.276 2.933 1.364 519 HG2 GLU 63 HG3 GLU 63 25.630 3.364 -1.146 520 HG3 GLU 63 HG2 GLU 63 23.951 3.886 -1.280 521 H GLY 64 H GLY 64 24.319 -0.915 0.368 522 HA2 GLY 64 HA3 GLY 64 24.484 -2.652 2.013 523 HA3 GLY 64 HA2 GLY 64 25.210 -1.495 3.128 524 H ARG 65 H ARG 65 22.449 -0.268 1.549 525 HA ARG 65 HA ARG 65 20.930 -0.336 4.080 526 HB2 ARG 65 HB3 ARG 65 21.294 1.486 2.089 527 HB3 ARG 65 HB2 ARG 65 19.771 0.760 1.574 528 HG2 ARG 65 HG3 ARG 65 18.932 2.362 3.000 529 HG3 ARG 65 HG2 ARG 65 19.193 1.068 4.170 530 HD2 ARG 65 HD3 ARG 65 20.806 2.254 5.245 531 HD3 ARG 65 HD2 ARG 65 21.611 2.670 3.718 532 HE ARG 65 HE ARG 65 19.696 4.340 5.110 533 HH11 ARG 65 HH11 ARG 65 20.816 3.295 2.014 534 HH12 ARG 65 HH12 ARG 65 20.314 4.740 1.203 535 HH21 ARG 65 HH21 ARG 65 19.042 6.229 4.060 536 HH22 ARG 65 HH22 ARG 65 19.312 6.397 2.358 537 H THR 66 H THR 66 19.522 -2.010 4.482 538 HA THR 66 HA THR 66 18.740 -3.848 2.331 539 HB THR 66 HB THR 66 18.167 -3.651 5.303 540 HG1 THR 66 HG1 THR 66 19.479 -5.724 4.957 541 HG21 THR 66 HG21 THR 66 17.710 -6.238 4.031 542 HG22 THR 66 HG22 THR 66 16.614 -4.995 3.430 543 HG23 THR 66 HG23 THR 66 16.686 -5.347 5.156 544 H HIS 67 H HIS 67 16.759 -3.905 1.329 545 HA HIS 67 HA HIS 67 14.669 -1.946 2.244 546 HB2 HIS 67 HB3 HIS 67 15.326 -2.927 -0.557 547 HB3 HIS 67 HB2 HIS 67 14.193 -1.642 -0.134 548 HD1 HIS 67 HD1 HIS 67 17.262 -1.745 -1.628 549 HD2 HIS 67 HD2 HIS 67 16.009 0.178 1.852 550 HE1 HIS 67 HE1 HIS 67 18.918 0.125 -1.207 551 H HIS 68 H HIS 68 12.492 -2.698 2.123 552 HA HIS 68 HA HIS 68 12.210 -5.660 1.745 553 HB2 HIS 68 HB3 HIS 68 11.046 -3.625 3.630 554 HB3 HIS 68 HB2 HIS 68 10.179 -5.130 3.324 555 HD1 HIS 68 HD1 HIS 68 12.994 -6.760 2.987 556 HD2 HIS 68 HD2 HIS 68 11.761 -4.501 6.265 557 HE1 HIS 68 HE1 HIS 68 14.302 -7.614 4.977 558 H TYR 69 H TYR 69 10.621 -6.358 0.326 559 HA TYR 69 HA TYR 69 9.035 -4.233 -1.070 560 HB2 TYR 69 HB3 TYR 69 9.937 -7.004 -1.924 561 HB3 TYR 69 HB2 TYR 69 9.063 -5.859 -2.943 562 HD1 TYR 69 HD1 TYR 69 10.231 -4.247 -4.191 563 HD2 TYR 69 HD2 TYR 69 12.183 -6.205 -0.903 564 HE1 TYR 69 HE1 TYR 69 12.372 -3.165 -4.817 565 HE2 TYR 69 HE2 TYR 69 14.324 -5.123 -1.531 566 HH TYR 69 HH TYR 69 15.359 -3.792 -2.968 567 H MET 70 H MET 70 6.887 -4.245 -0.580 568 HA MET 70 HA MET 70 5.563 -6.868 0.011 569 HB2 MET 70 HB3 MET 70 6.196 -5.334 2.006 570 HB3 MET 70 HB2 MET 70 4.911 -4.276 1.419 571 HG2 MET 70 HG3 MET 70 3.329 -6.206 1.528 572 HG3 MET 70 HG2 MET 70 4.617 -7.181 2.234 573 HE1 MET 70 HE1 MET 70 6.157 -5.421 4.363 574 HE2 MET 70 HE2 MET 70 5.571 -7.081 4.282 575 HE3 MET 70 HE3 MET 70 5.168 -6.080 5.674 576 H ARG 71 H ARG 71 3.734 -7.132 -1.237 577 HA ARG 71 HA ARG 71 2.345 -4.692 -2.266 578 HB2 ARG 71 HB3 ARG 71 2.328 -5.773 -4.509 579 HB3 ARG 71 HB2 ARG 71 3.971 -5.472 -3.940 580 HG2 ARG 71 HG3 ARG 71 4.406 -7.662 -4.236 581 HG3 ARG 71 HG2 ARG 71 3.275 -8.008 -2.927 582 HD2 ARG 71 HD3 ARG 71 1.425 -8.208 -4.485 583 HD3 ARG 71 HD2 ARG 71 2.445 -7.658 -5.830 584 HE ARG 71 HE ARG 71 3.556 -9.959 -4.415 585 HH11 ARG 71 HH11 ARG 71 1.415 -8.836 -6.883 586 HH12 ARG 71 HH12 ARG 71 1.491 -10.306 -7.795 587 HH21 ARG 71 HH21 ARG 71 3.664 -11.876 -5.600 588 HH22 ARG 71 HH22 ARG 71 2.761 -12.024 -7.070 589 H PHE 72 H PHE 72 0.118 -5.081 -2.829 590 HA PHE 72 HA PHE 72 -1.056 -7.750 -2.432 591 HB2 PHE 72 HB3 PHE 72 -2.526 -6.814 -0.568 592 HB3 PHE 72 HB2 PHE 72 -0.832 -7.052 -0.136 593 HD1 PHE 72 HD1 PHE 72 -3.517 -4.660 -0.488 594 HD2 PHE 72 HD2 PHE 72 0.756 -5.061 -0.270 595 HE1 PHE 72 HE1 PHE 72 -3.319 -2.251 0.068 596 HE2 PHE 72 HE2 PHE 72 0.953 -2.653 0.286 597 HZ PHE 72 HZ PHE 72 -1.084 -1.248 0.456 598 H HIS 73 H HIS 73 -3.528 -7.560 -2.723 599 HA HIS 73 HA HIS 73 -4.087 -5.403 -4.724 600 HB2 HIS 73 HB3 HIS 73 -5.529 -8.029 -4.276 601 HB3 HIS 73 HB2 HIS 73 -5.596 -6.998 -5.706 602 HD1 HIS 73 HD1 HIS 73 -3.090 -9.112 -3.770 603 HD2 HIS 73 HD2 HIS 73 -3.647 -7.571 -7.603 604 HE1 HIS 73 HE1 HIS 73 -1.250 -10.088 -5.209 605 H VAL 74 H VAL 74 -6.128 -4.306 -4.596 606 HA VAL 74 HA VAL 74 -7.544 -4.603 -1.966 607 HB VAL 74 HB VAL 74 -7.062 -2.093 -3.605 608 HG11 VAL 74 HG11 VAL 74 -9.030 -2.451 -1.831 609 HG12 VAL 74 HG12 VAL 74 -8.148 -0.928 -1.933 610 HG13 VAL 74 HG13 VAL 74 -7.728 -2.107 -0.692 611 HG21 VAL 74 HG21 VAL 74 -5.727 -2.765 -0.986 612 HG22 VAL 74 HG22 VAL 74 -5.236 -1.588 -2.204 613 HG23 VAL 74 HG23 VAL 74 -5.030 -3.313 -2.509 614 H GLU 75 H GLU 75 -9.720 -4.996 -2.185 615 HA GLU 75 HA GLU 75 -10.926 -4.621 -4.899 616 HB2 GLU 75 HB3 GLU 75 -10.695 -6.837 -3.282 617 HB3 GLU 75 HB2 GLU 75 -12.318 -6.267 -2.892 618 HG2 GLU 75 HG3 GLU 75 -13.045 -6.439 -5.138 619 HG3 GLU 75 HG2 GLU 75 -11.393 -6.536 -5.752 620 H SER 76 H SER 76 -12.224 -2.860 -5.006 621 HA SER 76 HA SER 76 -13.544 -1.843 -2.532 622 HB2 SER 76 HB3 SER 76 -13.477 0.236 -3.615 623 HB3 SER 76 HB2 SER 76 -12.041 -0.542 -4.268 624 HG SER 76 HG SER 76 -13.367 0.364 -5.907 625 H LYS 77 H LYS 77 -15.804 -0.820 -3.108 626 HA LYS 77 HA LYS 77 -17.495 -2.974 -4.138 627 HB2 LYS 77 HB3 LYS 77 -17.819 -0.270 -2.872 628 HB3 LYS 77 HB2 LYS 77 -19.214 -1.023 -3.646 629 HG2 LYS 77 HG3 LYS 77 -19.422 -2.594 -2.019 630 HG3 LYS 77 HG2 LYS 77 -17.680 -2.845 -1.913 631 HD2 LYS 77 HD3 LYS 77 -17.425 -0.831 -0.565 632 HD3 LYS 77 HD2 LYS 77 -19.139 -0.454 -0.751 633 HE2 LYS 77 HE3 LYS 77 -18.707 -3.173 0.258 634 HE3 LYS 77 HE2 LYS 77 -18.055 -1.926 1.340 635 HZ1 LYS 77 HZ1 LYS 77 -20.390 -2.239 1.799 636 HZ2 LYS 77 HZ2 LYS 77 -20.785 -1.989 0.166 637 HZ3 LYS 77 HZ3 LYS 77 -20.161 -0.713 1.097 638 H LYS 78 H LYS 78 -15.915 -0.250 -5.497 639 HA LYS 78 HA LYS 78 -17.851 -0.101 -7.768 640 HB2 LYS 78 HB3 LYS 78 -15.760 1.668 -6.541 641 HB3 LYS 78 HB2 LYS 78 -16.204 1.920 -8.230 642 HG2 LYS 78 HG3 LYS 78 -18.025 3.051 -7.551 643 HG3 LYS 78 HG2 LYS 78 -18.627 1.575 -6.796 644 HD2 LYS 78 HD3 LYS 78 -16.683 2.468 -5.020 645 HD3 LYS 78 HD2 LYS 78 -17.474 3.954 -5.551 646 HE2 LYS 78 HE3 LYS 78 -19.447 1.878 -5.058 647 HE3 LYS 78 HE2 LYS 78 -18.449 2.162 -3.618 648 HZ1 LYS 78 HZ1 LYS 78 -19.690 4.305 -5.264 649 HZ2 LYS 78 HZ2 LYS 78 -18.812 4.515 -3.824 650 HZ3 LYS 78 HZ3 LYS 78 -20.323 3.737 -3.796 651 H LYS 79 H LYS 79 -14.575 -1.067 -6.933 652 HA LYS 79 HA LYS 79 -14.238 -2.479 -9.446 653 HB2 LYS 79 HB3 LYS 79 -12.512 -1.005 -10.384 654 HB3 LYS 79 HB2 LYS 79 -14.003 -0.096 -10.137 655 HG2 LYS 79 HG3 LYS 79 -13.162 1.037 -8.269 656 HG3 LYS 79 HG2 LYS 79 -11.928 -0.185 -7.965 657 HD2 LYS 79 HD3 LYS 79 -10.867 1.805 -8.893 658 HD3 LYS 79 HD2 LYS 79 -10.784 0.498 -10.075 659 HE2 LYS 79 HE3 LYS 79 -11.506 2.419 -11.313 660 HE3 LYS 79 HE2 LYS 79 -12.985 1.478 -11.034 661 HZ1 LYS 79 HZ1 LYS 79 -13.263 2.779 -8.941 662 HZ2 LYS 79 HZ2 LYS 79 -13.429 3.701 -10.358 663 HZ3 LYS 79 HZ3 LYS 79 -11.996 3.785 -9.448 664 H ILE 80 H ILE 80 -11.368 -2.272 -9.523 665 HA ILE 80 HA ILE 80 -10.548 -3.293 -6.829 666 HB ILE 80 HB ILE 80 -9.820 -4.529 -9.499 667 HG12 ILE 80 HG13 ILE 80 -12.008 -5.321 -7.547 668 HG13 ILE 80 HG12 ILE 80 -12.256 -4.680 -9.172 669 HG21 ILE 80 HG21 ILE 80 -9.854 -6.208 -7.111 670 HG22 ILE 80 HG22 ILE 80 -8.761 -4.834 -6.938 671 HG23 ILE 80 HG23 ILE 80 -8.560 -5.957 -8.283 672 HD11 ILE 80 HD11 ILE 80 -10.461 -7.027 -9.008 673 HD12 ILE 80 HD12 ILE 80 -11.736 -6.662 -10.172 674 HD13 ILE 80 HD13 ILE 80 -12.148 -7.342 -8.598 675 H ALA 81 H ALA 81 -8.411 -2.729 -6.270 676 HA ALA 81 HA ALA 81 -6.799 -1.298 -8.354 677 HB1 ALA 81 HB1 ALA 81 -6.233 0.281 -6.403 678 HB2 ALA 81 HB2 ALA 81 -7.588 -0.465 -5.555 679 HB3 ALA 81 HB3 ALA 81 -7.863 0.405 -7.065 680 H LEU 82 H LEU 82 -4.480 -1.279 -7.877 681 HA LEU 82 HA LEU 82 -3.648 -3.498 -6.031 682 HB2 LEU 82 HB3 LEU 82 -3.389 -3.328 -8.743 683 HB3 LEU 82 HB2 LEU 82 -1.865 -2.606 -8.225 684 HG LEU 82 HG LEU 82 -2.816 -5.178 -6.986 685 HD11 LEU 82 HD11 LEU 82 -0.886 -5.708 -9.020 686 HD12 LEU 82 HD12 LEU 82 -2.212 -4.811 -9.759 687 HD13 LEU 82 HD13 LEU 82 -2.536 -6.318 -8.903 688 HD21 LEU 82 HD21 LEU 82 -0.905 -4.728 -5.853 689 HD22 LEU 82 HD22 LEU 82 -0.409 -3.501 -7.018 690 HD23 LEU 82 HD23 LEU 82 -0.067 -5.203 -7.331 691 H VAL 83 H VAL 83 -2.063 -2.997 -4.508 692 HA VAL 83 HA VAL 83 -0.992 -0.195 -4.571 693 HB VAL 83 HB VAL 83 -1.659 -2.063 -2.275 694 HG11 VAL 83 HG11 VAL 83 -1.366 0.400 -1.169 695 HG12 VAL 83 HG12 VAL 83 -0.162 0.492 -2.455 696 HG13 VAL 83 HG13 VAL 83 -0.064 -0.787 -1.245 697 HG21 VAL 83 HG21 VAL 83 -3.620 -1.102 -3.455 698 HG22 VAL 83 HG22 VAL 83 -2.955 0.515 -3.218 699 HG23 VAL 83 HG23 VAL 83 -3.458 -0.445 -1.827 700 H HIS 84 H HIS 84 1.203 -0.010 -4.661 701 HA HIS 84 HA HIS 84 2.878 -2.385 -3.909 702 HB2 HIS 84 HB3 HIS 84 2.426 -1.434 -6.429 703 HB3 HIS 84 HB2 HIS 84 3.849 -0.496 -5.977 704 HD1 HIS 84 HD1 HIS 84 2.779 -4.153 -5.622 705 HD2 HIS 84 HD2 HIS 84 6.140 -1.886 -6.592 706 HE1 HIS 84 HE1 HIS 84 4.626 -5.802 -6.152 707 H LEU 85 H LEU 85 4.122 -1.802 -2.152 708 HA LEU 85 HA LEU 85 5.138 1.019 -2.047 709 HB2 LEU 85 HB3 LEU 85 4.620 1.062 0.282 710 HB3 LEU 85 HB2 LEU 85 3.210 0.334 -0.490 711 HG LEU 85 HG LEU 85 4.689 -1.890 -0.050 712 HD11 LEU 85 HD11 LEU 85 5.571 0.208 1.902 713 HD12 LEU 85 HD12 LEU 85 6.507 -1.086 1.153 714 HD13 LEU 85 HD13 LEU 85 5.392 -1.452 2.470 715 HD21 LEU 85 HD21 LEU 85 3.006 -2.427 1.420 716 HD22 LEU 85 HD22 LEU 85 2.300 -0.940 0.784 717 HD23 LEU 85 HD23 LEU 85 3.170 -0.918 2.319 718 H GLU 86 H GLU 86 7.237 1.270 -1.117 719 HA GLU 86 HA GLU 86 8.792 -1.267 -0.733 720 HB2 GLU 86 HB3 GLU 86 9.064 0.963 -2.598 721 HB3 GLU 86 HB2 GLU 86 10.536 0.721 -1.655 722 HG2 GLU 86 HG3 GLU 86 10.954 -0.821 -3.308 723 HG3 GLU 86 HG2 GLU 86 9.992 -1.847 -2.243 724 H ALA 87 H ALA 87 10.085 -1.269 1.123 725 HA ALA 87 HA ALA 87 10.201 1.303 2.668 726 HB1 ALA 87 HB1 ALA 87 9.604 0.115 4.574 727 HB2 ALA 87 HB2 ALA 87 10.289 -1.394 3.972 728 HB3 ALA 87 HB3 ALA 87 8.745 -0.817 3.348 729 H LYS 88 H LYS 88 12.099 1.634 3.937 730 HA LYS 88 HA LYS 88 14.465 -0.053 3.188 731 HB2 LYS 88 HB3 LYS 88 15.661 2.240 3.414 732 HB3 LYS 88 HB2 LYS 88 14.659 1.986 1.984 733 HG2 LYS 88 HG3 LYS 88 12.874 3.268 2.871 734 HG3 LYS 88 HG2 LYS 88 13.549 3.227 4.499 735 HD2 LYS 88 HD3 LYS 88 14.885 4.587 2.144 736 HD3 LYS 88 HD2 LYS 88 13.896 5.426 3.339 737 HE2 LYS 88 HE3 LYS 88 15.748 3.859 4.811 738 HE3 LYS 88 HE2 LYS 88 16.671 4.681 3.538 739 HZ1 LYS 88 HZ1 LYS 88 16.383 6.121 5.468 740 HZ2 LYS 88 HZ2 LYS 88 14.695 5.968 5.349 741 HZ3 LYS 88 HZ3 LYS 88 15.568 6.752 4.120 742 H GLU 89 H GLU 89 15.954 -0.425 4.899 743 HA GLU 89 HA GLU 89 14.860 -0.102 7.609 744 HB2 GLU 89 HB3 GLU 89 16.846 -1.487 8.173 745 HB3 GLU 89 HB2 GLU 89 15.930 -2.176 6.832 746 HG2 GLU 89 HG3 GLU 89 17.642 -1.895 5.380 747 HG3 GLU 89 HG2 GLU 89 17.968 -0.262 5.952 748 H SER 90 H SER 90 15.649 1.282 9.183 749 HA SER 90 HA SER 90 17.552 3.391 8.306 750 HB2 SER 90 HB3 SER 90 16.391 3.554 10.993 751 HB3 SER 90 HB2 SER 90 16.286 4.702 9.662 752 HG SER 90 HG SER 90 14.645 2.520 10.306 753 H LYS 91 H LYS 91 19.448 3.869 9.564 754 HA LYS 91 HA LYS 91 21.159 1.903 10.392 755 HB2 LYS 91 HB3 LYS 91 21.522 4.400 10.279 756 HB3 LYS 91 HB2 LYS 91 20.753 4.525 11.862 757 HG2 LYS 91 HG3 LYS 91 22.806 2.464 11.847 758 HG3 LYS 91 HG2 LYS 91 23.464 4.030 11.373 759 HD2 LYS 91 HD3 LYS 91 23.110 4.952 13.432 760 HD3 LYS 91 HD2 LYS 91 21.597 4.076 13.674 761 HE2 LYS 91 HE3 LYS 91 23.284 3.252 15.262 762 HE3 LYS 91 HE2 LYS 91 22.939 1.983 14.070 763 HZ1 LYS 91 HZ1 LYS 91 25.376 2.559 14.473 764 HZ2 LYS 91 HZ2 LYS 91 25.060 3.995 13.622 765 HZ3 LYS 91 HZ3 LYS 91 24.854 2.489 12.861 766 H GLN 92 H GLN 92 19.281 3.715 12.854 767 HA GLN 92 HA GLN 92 18.253 1.382 14.186 768 HB2 GLN 92 HB3 GLN 92 20.755 1.148 14.488 769 HB3 GLN 92 HB2 GLN 92 20.716 2.633 15.438 770 HG2 GLN 92 HG3 GLN 92 20.069 1.476 17.254 771 HG3 GLN 92 HG2 GLN 92 18.647 0.893 16.389 772 HE21 GLN 92 HE21 GLN 92 22.126 0.169 16.909 773 HE22 GLN 92 HE22 GLN 92 21.985 -1.492 16.592 774 H ASN 93 H ASN 93 16.949 3.691 13.617 775 HA ASN 93 HA ASN 93 16.805 5.126 16.245 776 HB2 ASN 93 HB3 ASN 93 16.089 6.238 13.526 777 HB3 ASN 93 HB2 ASN 93 16.386 7.136 15.014 778 HD21 ASN 93 HD21 ASN 93 18.769 6.225 15.961 779 HD22 ASN 93 HD22 ASN 93 20.005 6.392 14.811 780 H TYR 94 H TYR 94 15.155 3.262 13.907 781 HA TYR 94 HA TYR 94 12.746 3.069 15.456 782 HB2 TYR 94 HB3 TYR 94 12.854 5.485 14.406 783 HB3 TYR 94 HB2 TYR 94 12.336 4.659 12.938 784 HD1 TYR 94 HD1 TYR 94 11.497 4.233 16.573 785 HD2 TYR 94 HD2 TYR 94 10.053 4.947 12.592 786 HE1 TYR 94 HE1 TYR 94 9.163 4.195 17.414 787 HE2 TYR 94 HE2 TYR 94 7.719 4.909 13.431 788 HH TYR 94 HH TYR 94 6.619 3.665 15.747 789 H GLN 95 H GLN 95 10.861 2.429 13.606 790 HA GLN 95 HA GLN 95 11.884 -0.038 12.422 791 HB2 GLN 95 HB3 GLN 95 9.182 1.301 12.099 792 HB3 GLN 95 HB2 GLN 95 9.546 -0.419 11.954 793 HG2 GLN 95 HG3 GLN 95 9.702 1.255 14.476 794 HG3 GLN 95 HG2 GLN 95 8.540 -0.024 14.130 795 HE21 GLN 95 HE21 GLN 95 10.301 -1.966 12.989 796 HE22 GLN 95 HE22 GLN 95 11.377 -2.490 14.192 797 HA PRO 96 HA PRO 96 12.886 1.025 8.297 798 HB2 PRO 96 HB3 PRO 96 10.533 -0.595 7.422 799 HB3 PRO 96 HB2 PRO 96 12.225 -0.696 6.901 800 HG2 PRO 96 HG3 PRO 96 11.088 -2.455 8.620 801 HG3 PRO 96 HG2 PRO 96 12.812 -2.061 8.618 802 HD2 PRO 96 HD3 PRO 96 10.770 -1.394 10.597 803 HD3 PRO 96 HD2 PRO 96 12.540 -1.328 10.736 804 H ASP 97 H ASP 97 11.986 2.313 6.474 805 HA ASP 97 HA ASP 97 9.369 3.621 7.149 806 HB2 ASP 97 HB3 ASP 97 12.111 4.692 6.629 807 HB3 ASP 97 HB2 ASP 97 10.741 5.637 6.043 808 H PHE 98 H PHE 98 8.011 3.952 5.390 809 HA PHE 98 HA PHE 98 8.540 2.570 2.910 810 HB2 PHE 98 HB3 PHE 98 6.462 4.580 3.826 811 HB3 PHE 98 HB2 PHE 98 6.379 3.743 2.276 812 HD1 PHE 98 HD1 PHE 98 4.609 3.648 4.985 813 HD2 PHE 98 HD2 PHE 98 7.480 1.065 3.102 814 HE1 PHE 98 HE1 PHE 98 3.578 1.688 6.098 815 HE2 PHE 98 HE2 PHE 98 6.448 -0.894 4.216 816 HZ PHE 98 HZ PHE 98 4.497 -0.583 5.714 817 H ILE 99 H ILE 99 9.268 3.402 0.953 818 HA ILE 99 HA ILE 99 9.994 6.314 0.913 819 HB ILE 99 HB ILE 99 11.785 5.316 -0.756 820 HG12 ILE 99 HG13 ILE 99 11.061 2.915 0.957 821 HG13 ILE 99 HG12 ILE 99 10.847 3.038 -0.791 822 HG21 ILE 99 HG21 ILE 99 12.020 4.793 2.217 823 HG22 ILE 99 HG22 ILE 99 12.187 6.386 1.480 824 HG23 ILE 99 HG23 ILE 99 13.337 5.107 1.088 825 HD11 ILE 99 HD11 ILE 99 13.569 3.693 0.088 826 HD12 ILE 99 HD12 ILE 99 13.033 2.609 -1.197 827 HD13 ILE 99 HD13 ILE 99 13.095 2.038 0.470 828 H ASN 100 H ASN 100 8.322 3.729 -0.635 829 HA ASN 100 HA ASN 100 7.560 5.571 -2.858 830 HB2 ASN 100 HB3 ASN 100 8.212 2.655 -3.317 831 HB3 ASN 100 HB2 ASN 100 8.113 3.954 -4.506 832 HD21 ASN 100 HD21 ASN 100 9.810 5.821 -4.031 833 HD22 ASN 100 HD22 ASN 100 11.363 5.302 -3.585 834 H MET 101 H MET 101 5.341 5.544 -3.077 835 HA MET 101 HA MET 101 3.848 3.056 -2.431 836 HB2 MET 101 HB3 MET 101 4.169 4.498 -0.368 837 HB3 MET 101 HB2 MET 101 3.209 5.738 -1.175 838 HG2 MET 101 HG3 MET 101 1.394 4.704 -0.315 839 HG3 MET 101 HG2 MET 101 1.692 3.429 -1.498 840 HE1 MET 101 HE1 MET 101 1.461 0.677 0.304 841 HE2 MET 101 HE2 MET 101 0.572 1.970 -0.498 842 HE3 MET 101 HE3 MET 101 0.409 1.747 1.242 843 H TYR 102 H TYR 102 2.633 2.792 -4.260 844 HA TYR 102 HA TYR 102 0.971 5.072 -5.190 845 HB2 TYR 102 HB3 TYR 102 1.843 5.005 -7.395 846 HB3 TYR 102 HB2 TYR 102 3.273 4.881 -6.372 847 HD1 TYR 102 HD1 TYR 102 0.942 3.017 -8.548 848 HD2 TYR 102 HD2 TYR 102 4.558 2.828 -6.240 849 HE1 TYR 102 HE1 TYR 102 1.508 0.852 -9.614 850 HE2 TYR 102 HE2 TYR 102 5.125 0.662 -7.306 851 HH TYR 102 HH TYR 102 2.862 -0.961 -9.485 852 H VAL 103 H VAL 103 -0.838 4.313 -6.553 853 HA VAL 103 HA VAL 103 -1.324 1.359 -6.345 854 HB VAL 103 HB VAL 103 -3.219 3.674 -5.836 855 HG11 VAL 103 HG11 VAL 103 -4.953 2.187 -5.755 856 HG12 VAL 103 HG12 VAL 103 -3.944 0.894 -5.105 857 HG13 VAL 103 HG13 VAL 103 -3.921 1.246 -6.833 858 HG21 VAL 103 HG21 VAL 103 -1.745 1.727 -4.062 859 HG22 VAL 103 HG22 VAL 103 -3.234 2.501 -3.522 860 HG23 VAL 103 HG23 VAL 103 -1.829 3.483 -3.933 861 H ASP 104 H ASP 104 -2.336 0.436 -8.143 862 HA ASP 104 HA ASP 104 -2.543 2.159 -10.558 863 HB2 ASP 104 HB3 ASP 104 -1.997 -0.658 -9.875 864 HB3 ASP 104 HB2 ASP 104 -3.008 -0.452 -11.304 865 H VAL 105 H VAL 105 -4.566 3.012 -10.916 866 HA VAL 105 HA VAL 105 -6.951 1.413 -10.067 867 HB VAL 105 HB VAL 105 -6.846 4.344 -10.797 868 HG11 VAL 105 HG11 VAL 105 -8.778 4.417 -9.228 869 HG12 VAL 105 HG12 VAL 105 -8.637 2.673 -9.006 870 HG13 VAL 105 HG13 VAL 105 -9.065 3.329 -10.587 871 HG21 VAL 105 HG21 VAL 105 -6.603 4.714 -8.296 872 HG22 VAL 105 HG22 VAL 105 -5.156 4.102 -9.098 873 HG23 VAL 105 HG23 VAL 105 -6.173 3.009 -8.161 874 HA PRO 106 HA PRO 106 -7.352 0.692 -14.480 875 HB2 PRO 106 HB3 PRO 106 -9.986 -0.377 -13.642 876 HB3 PRO 106 HB2 PRO 106 -8.679 -1.179 -14.533 877 HG2 PRO 106 HG3 PRO 106 -9.247 -1.753 -11.968 878 HG3 PRO 106 HG2 PRO 106 -7.610 -1.848 -12.633 879 HD2 PRO 106 HD3 PRO 106 -8.798 0.190 -10.834 880 HD3 PRO 106 HD2 PRO 106 -7.121 -0.388 -10.948 881 H GLY 107 H GLY 107 -8.096 2.250 -15.872 882 HA2 GLY 107 HA3 GLY 107 -9.711 3.696 -16.868 883 HA3 GLY 107 HA2 GLY 107 -10.768 3.429 -15.481 884 H GLU 108 H GLU 108 -8.169 4.008 -13.823 885 HA GLU 108 HA GLU 108 -8.446 6.994 -13.955 886 HB2 GLU 108 HB3 GLU 108 -8.466 4.959 -11.789 887 HB3 GLU 108 HB2 GLU 108 -7.616 6.462 -11.425 888 HG2 GLU 108 HG3 GLU 108 -10.377 6.489 -12.641 889 HG3 GLU 108 HG2 GLU 108 -10.149 6.362 -10.897 890 H LYS 109 H LYS 109 -6.464 8.169 -13.212 891 HA LYS 109 HA LYS 109 -4.055 7.021 -14.416 892 HB2 LYS 109 HB3 LYS 109 -5.151 9.540 -13.964 893 HB3 LYS 109 HB2 LYS 109 -3.778 9.484 -12.858 894 HG2 LYS 109 HG3 LYS 109 -2.778 8.352 -15.194 895 HG3 LYS 109 HG2 LYS 109 -3.799 9.668 -15.775 896 HD2 LYS 109 HD3 LYS 109 -2.649 11.188 -14.127 897 HD3 LYS 109 HD2 LYS 109 -1.533 9.868 -13.774 898 HE2 LYS 109 HE3 LYS 109 -1.959 11.162 -16.492 899 HE3 LYS 109 HE2 LYS 109 -0.519 11.316 -15.466 900 HZ1 LYS 109 HZ1 LYS 109 -0.430 8.822 -15.487 901 HZ2 LYS 109 HZ2 LYS 109 -0.075 9.564 -16.975 902 HZ3 LYS 109 HZ3 LYS 109 -1.596 8.851 -16.719 903 H ARG 110 H ARG 110 -2.099 6.550 -13.274 904 HA ARG 110 HA ARG 110 -2.362 5.297 -10.717 905 HB2 ARG 110 HB3 ARG 110 0.150 6.393 -12.012 906 HB3 ARG 110 HB2 ARG 110 0.023 5.005 -10.932 907 HG2 ARG 110 HG3 ARG 110 -0.320 3.668 -12.705 908 HG3 ARG 110 HG2 ARG 110 -1.783 4.574 -13.093 909 HD2 ARG 110 HD3 ARG 110 -0.733 5.291 -14.971 910 HD3 ARG 110 HD2 ARG 110 0.369 6.210 -13.927 911 HE ARG 110 HE ARG 110 1.997 4.544 -14.305 912 HH11 ARG 110 HH11 ARG 110 -1.191 3.374 -14.929 913 HH12 ARG 110 HH12 ARG 110 -0.652 1.837 -15.512 914 HH21 ARG 110 HH21 ARG 110 2.713 2.546 -15.074 915 HH22 ARG 110 HH22 ARG 110 1.556 1.367 -15.595 916 H TYR 111 H TYR 111 -2.513 6.269 -8.740 917 HA TYR 111 HA TYR 111 -1.545 9.085 -8.450 918 HB2 TYR 111 HB3 TYR 111 -3.967 7.920 -7.925 919 HB3 TYR 111 HB2 TYR 111 -3.191 7.811 -6.344 920 HD1 TYR 111 HD1 TYR 111 -4.555 10.056 -8.894 921 HD2 TYR 111 HD2 TYR 111 -2.425 9.852 -5.170 922 HE1 TYR 111 HE1 TYR 111 -4.991 12.467 -8.513 923 HE2 TYR 111 HE2 TYR 111 -2.862 12.263 -4.787 924 HH TYR 111 HH TYR 111 -4.591 13.959 -5.543 925 H TYR 112 H TYR 112 0.254 9.412 -7.187 926 HA TYR 112 HA TYR 112 1.411 7.102 -5.742 927 HB2 TYR 112 HB3 TYR 112 3.413 8.387 -5.819 928 HB3 TYR 112 HB2 TYR 112 2.602 8.734 -7.345 929 HD1 TYR 112 HD1 TYR 112 3.650 10.071 -4.107 930 HD2 TYR 112 HD2 TYR 112 1.397 10.878 -7.673 931 HE1 TYR 112 HE1 TYR 112 3.614 12.484 -3.537 932 HE2 TYR 112 HE2 TYR 112 1.359 13.291 -7.103 933 HH TYR 112 HH TYR 112 2.694 14.476 -4.037 934 H LEU 113 H LEU 113 1.365 6.918 -3.530 935 HA LEU 113 HA LEU 113 -0.097 8.941 -1.959 936 HB2 LEU 113 HB3 LEU 113 0.230 6.175 -1.947 937 HB3 LEU 113 HB2 LEU 113 1.165 6.704 -0.548 938 HG LEU 113 HG LEU 113 -1.197 8.227 -0.474 939 HD11 LEU 113 HD11 LEU 113 -2.720 6.020 -0.285 940 HD12 LEU 113 HD12 LEU 113 -1.614 5.478 -1.546 941 HD13 LEU 113 HD13 LEU 113 -2.578 6.936 -1.787 942 HD21 LEU 113 HD21 LEU 113 -0.363 5.731 1.038 943 HD22 LEU 113 HD22 LEU 113 -1.644 6.829 1.550 944 HD23 LEU 113 HD23 LEU 113 0.024 7.396 1.474 945 H ILE 114 H ILE 114 3.206 7.764 -2.368 946 HA ILE 114 HA ILE 114 4.143 9.951 -0.543 947 HB ILE 114 HB ILE 114 5.093 7.078 -0.785 948 HG12 ILE 114 HG13 ILE 114 4.013 8.565 1.624 949 HG13 ILE 114 HG12 ILE 114 2.994 7.593 0.563 950 HG21 ILE 114 HG21 ILE 114 6.900 8.863 -0.464 951 HG22 ILE 114 HG22 ILE 114 6.824 7.606 0.771 952 HG23 ILE 114 HG23 ILE 114 6.146 9.202 1.094 953 HD11 ILE 114 HD11 ILE 114 4.825 6.725 2.655 954 HD12 ILE 114 HD12 ILE 114 5.182 5.944 1.114 955 HD13 ILE 114 HD13 ILE 114 3.571 5.810 1.819 956 H LYS 115 H LYS 115 5.099 7.652 -3.113 957 HA LYS 115 HA LYS 115 7.502 8.992 -3.897 958 HB2 LYS 115 HB3 LYS 115 7.023 6.712 -4.530 959 HB3 LYS 115 HB2 LYS 115 5.526 7.193 -5.329 960 HG2 LYS 115 HG3 LYS 115 6.716 7.370 -7.237 961 HG3 LYS 115 HG2 LYS 115 7.501 8.778 -6.522 962 HD2 LYS 115 HD3 LYS 115 9.393 7.594 -5.920 963 HD3 LYS 115 HD2 LYS 115 8.516 6.072 -5.760 964 HE2 LYS 115 HE3 LYS 115 8.971 5.502 -7.910 965 HE3 LYS 115 HE2 LYS 115 8.436 7.087 -8.503 966 HZ1 LYS 115 HZ1 LYS 115 10.998 6.700 -7.065 967 HZ2 LYS 115 HZ2 LYS 115 10.499 8.052 -7.964 968 HZ3 LYS 115 HZ3 LYS 115 10.884 6.599 -8.754 Start of MODEL 6 1 H1 GLY 1 H GLY 1 5.243 -13.475 12.433 2 HA2 GLY 1 HA3 GLY 1 7.173 -11.882 12.909 3 HA3 GLY 1 HA2 GLY 1 7.248 -11.654 11.161 4 H SER 2 H SER 2 6.548 -9.577 10.848 5 HA SER 2 HA SER 2 3.844 -8.877 11.940 6 HB2 SER 2 HB3 SER 2 4.718 -6.661 12.459 7 HB3 SER 2 HB2 SER 2 5.764 -7.863 13.209 8 HG SER 2 HG SER 2 6.401 -5.983 11.450 9 H ASP 3 H ASP 3 5.294 -9.650 9.211 10 HA ASP 3 HA ASP 3 5.118 -7.484 7.402 11 HB2 ASP 3 HB3 ASP 3 4.675 -9.415 5.760 12 HB3 ASP 3 HB2 ASP 3 6.125 -9.551 6.755 13 H THR 4 H THR 4 2.587 -9.638 8.649 14 HA THR 4 HA THR 4 0.486 -8.825 6.872 15 HB THR 4 HB THR 4 0.534 -9.900 9.708 16 HG1 THR 4 HG1 THR 4 0.260 -11.038 7.133 17 HG21 THR 4 HG21 THR 4 -1.757 -9.541 7.764 18 HG22 THR 4 HG22 THR 4 -1.613 -8.860 9.383 19 HG23 THR 4 HG23 THR 4 -1.835 -10.597 9.174 20 H GLN 5 H GLN 5 1.442 -7.662 10.117 21 HA GLN 5 HA GLN 5 -0.623 -5.672 10.347 22 HB2 GLN 5 HB3 GLN 5 2.152 -5.890 11.564 23 HB3 GLN 5 HB2 GLN 5 0.859 -4.850 12.166 24 HG2 GLN 5 HG3 GLN 5 -0.263 -6.583 13.124 25 HG3 GLN 5 HG2 GLN 5 0.091 -7.678 11.786 26 HE21 GLN 5 HE21 GLN 5 0.393 -8.789 14.280 27 HE22 GLN 5 HE22 GLN 5 2.035 -8.939 14.684 28 H LEU 6 H LEU 6 2.680 -5.610 9.038 29 HA LEU 6 HA LEU 6 3.047 -2.835 8.697 30 HB2 LEU 6 HB3 LEU 6 4.318 -5.201 8.035 31 HB3 LEU 6 HB2 LEU 6 3.925 -4.524 6.455 32 HG LEU 6 HG LEU 6 4.965 -2.544 8.364 33 HD11 LEU 6 HD11 LEU 6 7.281 -3.875 7.382 34 HD12 LEU 6 HD12 LEU 6 6.280 -5.090 8.177 35 HD13 LEU 6 HD13 LEU 6 6.794 -3.654 9.064 36 HD21 LEU 6 HD21 LEU 6 5.786 -3.387 5.565 37 HD22 LEU 6 HD22 LEU 6 6.286 -1.909 6.386 38 HD23 LEU 6 HD23 LEU 6 4.595 -2.141 5.942 39 H PHE 7 H PHE 7 1.419 -5.165 6.526 40 HA PHE 7 HA PHE 7 0.728 -3.149 4.548 41 HB2 PHE 7 HB3 PHE 7 0.529 -5.113 3.441 42 HB3 PHE 7 HB2 PHE 7 0.629 -6.005 4.954 43 HD1 PHE 7 HD1 PHE 7 -1.165 -7.392 5.461 44 HD2 PHE 7 HD2 PHE 7 -1.858 -3.854 3.126 45 HE1 PHE 7 HE1 PHE 7 -3.563 -7.994 5.263 46 HE2 PHE 7 HE2 PHE 7 -4.257 -4.456 2.927 47 HZ PHE 7 HZ PHE 7 -5.108 -6.525 3.996 48 H ASN 8 H ASN 8 -0.863 -4.558 7.377 49 HA ASN 8 HA ASN 8 -3.525 -3.735 6.981 50 HB2 ASN 8 HB3 ASN 8 -1.696 -4.283 9.263 51 HB3 ASN 8 HB2 ASN 8 -3.191 -3.430 9.649 52 HD21 ASN 8 HD21 ASN 8 -2.058 -6.338 7.834 53 HD22 ASN 8 HD22 ASN 8 -3.439 -7.265 8.171 54 H ARG 9 H ARG 9 -0.872 -1.876 8.530 55 HA ARG 9 HA ARG 9 -2.482 0.497 8.897 56 HB2 ARG 9 HB3 ARG 9 -0.227 1.486 9.404 57 HB3 ARG 9 HB2 ARG 9 -0.558 -0.000 10.292 58 HG2 ARG 9 HG3 ARG 9 0.920 -1.263 8.996 59 HG3 ARG 9 HG2 ARG 9 0.842 -0.142 7.637 60 HD2 ARG 9 HD3 ARG 9 2.197 0.388 10.306 61 HD3 ARG 9 HD2 ARG 9 3.005 0.131 8.746 62 HE ARG 9 HE ARG 9 1.133 2.191 8.328 63 HH11 ARG 9 HH11 ARG 9 3.922 1.554 10.265 64 HH12 ARG 9 HH12 ARG 9 4.409 3.214 10.338 65 HH21 ARG 9 HH21 ARG 9 1.757 4.358 8.421 66 HH22 ARG 9 HH22 ARG 9 3.185 4.800 9.296 67 H ALA 10 H ALA 10 -0.342 -0.660 6.331 68 HA ALA 10 HA ALA 10 -0.109 1.842 4.914 69 HB1 ALA 10 HB1 ALA 10 0.963 0.502 3.301 70 HB2 ALA 10 HB2 ALA 10 -0.064 -0.891 3.644 71 HB3 ALA 10 HB3 ALA 10 1.200 -0.424 4.784 72 H VAL 11 H VAL 11 -2.282 -0.970 4.531 73 HA VAL 11 HA VAL 11 -3.755 0.060 2.306 74 HB VAL 11 HB VAL 11 -3.529 -2.277 3.686 75 HG11 VAL 11 HG11 VAL 11 -5.026 -1.300 5.496 76 HG12 VAL 11 HG12 VAL 11 -5.567 -2.833 4.812 77 HG13 VAL 11 HG13 VAL 11 -6.331 -1.324 4.310 78 HG21 VAL 11 HG21 VAL 11 -4.894 -1.296 1.424 79 HG22 VAL 11 HG22 VAL 11 -6.065 -2.271 2.311 80 HG23 VAL 11 HG23 VAL 11 -4.530 -2.977 1.805 81 H SER 12 H SER 12 -4.140 0.439 5.812 82 HA SER 12 HA SER 12 -6.746 1.595 5.840 83 HB2 SER 12 HB3 SER 12 -4.441 1.228 7.577 84 HB3 SER 12 HB2 SER 12 -5.219 2.779 7.878 85 HG SER 12 HG SER 12 -6.249 1.226 9.105 86 H MET 13 H MET 13 -3.539 3.178 5.725 87 HA MET 13 HA MET 13 -4.565 5.859 5.520 88 HB2 MET 13 HB3 MET 13 -2.198 6.312 4.836 89 HB3 MET 13 HB2 MET 13 -2.308 5.304 6.278 90 HG2 MET 13 HG3 MET 13 -1.794 3.324 5.064 91 HG3 MET 13 HG2 MET 13 -2.074 4.113 3.512 92 HE1 MET 13 HE1 MET 13 0.480 5.356 6.712 93 HE2 MET 13 HE2 MET 13 1.399 3.926 6.251 94 HE3 MET 13 HE3 MET 13 -0.319 3.781 6.612 95 H VAL 14 H VAL 14 -3.814 3.360 3.138 96 HA VAL 14 HA VAL 14 -3.929 5.117 0.825 97 HB VAL 14 HB VAL 14 -3.994 2.142 1.336 98 HG11 VAL 14 HG11 VAL 14 -4.540 3.650 -1.187 99 HG12 VAL 14 HG12 VAL 14 -5.182 2.099 -0.647 100 HG13 VAL 14 HG13 VAL 14 -3.543 2.199 -1.293 101 HG21 VAL 14 HG21 VAL 14 -1.759 2.195 0.599 102 HG22 VAL 14 HG22 VAL 14 -1.903 3.698 1.510 103 HG23 VAL 14 HG23 VAL 14 -1.979 3.724 -0.252 104 H GLU 15 H GLU 15 -6.269 2.938 2.420 105 HA GLU 15 HA GLU 15 -8.334 3.415 0.413 106 HB2 GLU 15 HB3 GLU 15 -9.671 2.032 1.927 107 HB3 GLU 15 HB2 GLU 15 -8.059 1.335 1.757 108 HG2 GLU 15 HG3 GLU 15 -7.415 2.603 3.864 109 HG3 GLU 15 HG2 GLU 15 -9.129 2.966 4.070 110 H LYS 16 H LYS 16 -7.329 5.012 3.357 111 HA LYS 16 HA LYS 16 -9.918 6.463 3.556 112 HB2 LYS 16 HB3 LYS 16 -9.163 7.064 5.717 113 HB3 LYS 16 HB2 LYS 16 -8.518 5.442 5.492 114 HG2 LYS 16 HG3 LYS 16 -6.330 6.249 5.054 115 HG3 LYS 16 HG2 LYS 16 -6.897 7.894 4.784 116 HD2 LYS 16 HD3 LYS 16 -7.136 6.469 7.444 117 HD3 LYS 16 HD2 LYS 16 -5.797 7.536 7.028 118 HE2 LYS 16 HE3 LYS 16 -8.587 8.569 6.637 119 HE3 LYS 16 HE2 LYS 16 -7.927 8.508 8.283 120 HZ1 LYS 16 HZ1 LYS 16 -7.268 10.572 7.324 121 HZ2 LYS 16 HZ2 LYS 16 -6.713 9.814 5.908 122 HZ3 LYS 16 HZ3 LYS 16 -5.892 9.582 7.377 123 H ASN 17 H ASN 17 -6.758 6.833 2.235 124 HA ASN 17 HA ASN 17 -6.218 9.577 2.368 125 HB2 ASN 17 HB3 ASN 17 -4.832 7.788 1.330 126 HB3 ASN 17 HB2 ASN 17 -5.966 7.721 -0.019 127 HD21 ASN 17 HD21 ASN 17 -3.055 8.596 0.030 128 HD22 ASN 17 HD22 ASN 17 -3.063 10.163 -0.619 129 H LYS 18 H LYS 18 -7.596 11.258 1.905 130 HA LYS 18 HA LYS 18 -10.024 11.096 0.464 131 HB2 LYS 18 HB3 LYS 18 -9.860 13.548 0.459 132 HB3 LYS 18 HB2 LYS 18 -9.280 12.915 2.000 133 HG2 LYS 18 HG3 LYS 18 -6.935 12.955 0.947 134 HG3 LYS 18 HG2 LYS 18 -7.649 13.955 -0.320 135 HD2 LYS 18 HD3 LYS 18 -8.608 15.247 1.844 136 HD3 LYS 18 HD2 LYS 18 -7.113 14.609 2.530 137 HE2 LYS 18 HE3 LYS 18 -7.235 16.152 -0.085 138 HE3 LYS 18 HE2 LYS 18 -6.817 16.879 1.481 139 HZ1 LYS 18 HZ1 LYS 18 -5.455 14.537 0.258 140 HZ2 LYS 18 HZ2 LYS 18 -5.058 15.258 1.745 141 HZ3 LYS 18 HZ3 LYS 18 -4.834 16.115 0.294 142 H ASP 19 H ASP 19 -6.718 11.684 -0.658 143 HA ASP 19 HA ASP 19 -7.320 12.531 -3.325 144 HB2 ASP 19 HB3 ASP 19 -4.976 10.904 -2.284 145 HB3 ASP 19 HB2 ASP 19 -4.978 11.948 -3.707 146 H ILE 20 H ILE 20 -6.557 9.282 -2.020 147 HA ILE 20 HA ILE 20 -7.079 7.921 -4.534 148 HB ILE 20 HB ILE 20 -6.949 6.947 -1.657 149 HG12 ILE 20 HG13 ILE 20 -4.887 8.060 -2.198 150 HG13 ILE 20 HG12 ILE 20 -4.583 6.332 -2.379 151 HG21 ILE 20 HG21 ILE 20 -6.175 5.256 -3.987 152 HG22 ILE 20 HG22 ILE 20 -7.899 5.517 -3.724 153 HG23 ILE 20 HG23 ILE 20 -6.914 4.789 -2.455 154 HD11 ILE 20 HD11 ILE 20 -5.180 6.636 -4.850 155 HD12 ILE 20 HD12 ILE 20 -3.651 7.343 -4.327 156 HD13 ILE 20 HD13 ILE 20 -5.066 8.371 -4.557 157 H ARG 21 H ARG 21 -8.958 8.726 -1.658 158 HA ARG 21 HA ARG 21 -11.200 7.050 -1.945 159 HB2 ARG 21 HB3 ARG 21 -10.606 8.701 -0.116 160 HB3 ARG 21 HB2 ARG 21 -11.192 9.984 -1.175 161 HG2 ARG 21 HG3 ARG 21 -13.315 8.352 -1.317 162 HG3 ARG 21 HG2 ARG 21 -12.719 7.874 0.274 163 HD2 ARG 21 HD3 ARG 21 -13.043 10.794 -0.443 164 HD3 ARG 21 HD2 ARG 21 -14.396 9.846 0.207 165 HE ARG 21 HE ARG 21 -12.211 9.265 1.865 166 HH11 ARG 21 HH11 ARG 21 -14.003 12.041 0.851 167 HH12 ARG 21 HH12 ARG 21 -13.740 12.907 2.326 168 HH21 ARG 21 HH21 ARG 21 -11.876 10.383 3.798 169 HH22 ARG 21 HH22 ARG 21 -12.539 11.972 3.991 170 H SER 22 H SER 22 -10.342 9.989 -3.717 171 HA SER 22 HA SER 22 -12.879 10.413 -5.005 172 HB2 SER 22 HB3 SER 22 -11.718 12.210 -5.756 173 HB3 SER 22 HB2 SER 22 -10.349 11.598 -4.832 174 HG SER 22 HG SER 22 -9.438 11.362 -6.706 175 H LEU 23 H LEU 23 -10.069 8.410 -5.789 176 HA LEU 23 HA LEU 23 -10.895 7.729 -8.482 177 HB2 LEU 23 HB3 LEU 23 -9.153 6.199 -6.520 178 HB3 LEU 23 HB2 LEU 23 -9.112 6.078 -8.278 179 HG LEU 23 HG LEU 23 -8.524 8.616 -6.735 180 HD11 LEU 23 HD11 LEU 23 -6.409 7.141 -8.224 181 HD12 LEU 23 HD12 LEU 23 -6.926 6.451 -6.685 182 HD13 LEU 23 HD13 LEU 23 -6.287 8.094 -6.745 183 HD21 LEU 23 HD21 LEU 23 -8.783 7.879 -9.593 184 HD22 LEU 23 HD22 LEU 23 -7.363 8.845 -9.195 185 HD23 LEU 23 HD23 LEU 23 -8.975 9.451 -8.816 186 H LEU 24 H LEU 24 -11.171 6.102 -5.323 187 HA LEU 24 HA LEU 24 -12.657 3.834 -6.363 188 HB2 LEU 24 HB3 LEU 24 -11.171 4.385 -4.178 189 HB3 LEU 24 HB2 LEU 24 -12.781 4.649 -3.506 190 HG LEU 24 HG LEU 24 -12.111 2.321 -3.201 191 HD11 LEU 24 HD11 LEU 24 -14.113 1.340 -3.979 192 HD12 LEU 24 HD12 LEU 24 -14.133 2.332 -5.436 193 HD13 LEU 24 HD13 LEU 24 -14.509 3.054 -3.872 194 HD21 LEU 24 HD21 LEU 24 -10.991 1.173 -4.788 195 HD22 LEU 24 HD22 LEU 24 -10.945 2.661 -5.733 196 HD23 LEU 24 HD23 LEU 24 -12.247 1.498 -5.981 197 H GLN 25 H GLN 25 -13.536 7.064 -5.646 198 HA GLN 25 HA GLN 25 -15.646 8.104 -5.329 199 HB2 GLN 25 HB3 GLN 25 -16.661 5.640 -6.761 200 HB3 GLN 25 HB2 GLN 25 -17.250 7.297 -6.897 201 HG2 GLN 25 HG3 GLN 25 -15.207 7.989 -8.015 202 HG3 GLN 25 HG2 GLN 25 -14.489 6.396 -7.764 203 HE21 GLN 25 HE21 GLN 25 -15.082 4.701 -9.216 204 HE22 GLN 25 HE22 GLN 25 -16.126 4.933 -10.533 205 H CYS 26 H CYS 26 -14.731 6.165 -3.257 206 HA CYS 26 HA CYS 26 -17.045 4.610 -2.400 207 HB2 CYS 26 HB3 CYS 26 -15.594 4.137 -0.487 208 HB3 CYS 26 HB2 CYS 26 -14.643 4.066 -1.970 209 HG CYS 26 HG CYS 26 -13.440 6.192 -1.337 210 H ASP 27 H ASP 27 -17.046 5.185 0.368 211 HA ASP 27 HA ASP 27 -18.069 8.002 0.492 212 HB2 ASP 27 HB3 ASP 27 -19.426 5.449 0.737 213 HB3 ASP 27 HB2 ASP 27 -19.594 6.382 2.224 214 H ASP 28 H ASP 28 -18.186 8.788 2.801 215 HA ASP 28 HA ASP 28 -16.795 7.331 4.900 216 HB2 ASP 28 HB3 ASP 28 -14.779 8.709 4.888 217 HB3 ASP 28 HB2 ASP 28 -14.992 7.990 3.292 218 H GLY 29 H GLY 29 -18.460 7.986 6.306 219 HA2 GLY 29 HA3 GLY 29 -18.571 10.919 6.864 220 HA3 GLY 29 HA2 GLY 29 -20.054 9.969 6.760 221 H ILE 30 H ILE 30 -18.850 11.445 9.084 222 HA ILE 30 HA ILE 30 -17.682 9.767 11.018 223 HB ILE 30 HB ILE 30 -17.942 12.139 11.352 224 HG12 ILE 30 HG13 ILE 30 -19.818 10.712 13.264 225 HG13 ILE 30 HG12 ILE 30 -18.059 10.700 13.390 226 HG21 ILE 30 HG21 ILE 30 -20.670 12.522 11.915 227 HG22 ILE 30 HG22 ILE 30 -20.633 11.574 10.428 228 HG23 ILE 30 HG23 ILE 30 -19.788 13.120 10.509 229 HD11 ILE 30 HD11 ILE 30 -18.402 13.344 13.245 230 HD12 ILE 30 HD12 ILE 30 -18.516 12.485 14.781 231 HD13 ILE 30 HD13 ILE 30 -19.982 12.926 13.906 232 H THR 31 H THR 31 -20.981 9.818 9.824 233 HA THR 31 HA THR 31 -22.011 8.152 12.028 234 HB THR 31 HB THR 31 -23.278 9.966 10.797 235 HG1 THR 31 HG1 THR 31 -25.068 8.276 10.292 236 HG21 THR 31 HG21 THR 31 -24.147 9.441 8.570 237 HG22 THR 31 HG22 THR 31 -23.290 7.899 8.581 238 HG23 THR 31 HG23 THR 31 -22.385 9.412 8.548 239 H GLY 32 H GLY 32 -20.412 7.664 9.031 240 HA2 GLY 32 HA3 GLY 32 -20.206 4.868 9.272 241 HA3 GLY 32 HA2 GLY 32 -21.603 5.174 8.237 242 H LYS 33 H LYS 33 -18.632 4.222 7.842 243 HA LYS 33 HA LYS 33 -18.133 5.980 5.460 244 HB2 LYS 33 HB3 LYS 33 -16.238 4.725 7.469 245 HB3 LYS 33 HB2 LYS 33 -15.697 5.474 5.965 246 HG2 LYS 33 HG3 LYS 33 -16.166 7.600 6.693 247 HG3 LYS 33 HG2 LYS 33 -17.547 7.076 7.658 248 HD2 LYS 33 HD3 LYS 33 -16.218 6.458 9.472 249 HD3 LYS 33 HD2 LYS 33 -14.781 6.240 8.473 250 HE2 LYS 33 HE3 LYS 33 -16.023 8.976 8.770 251 HE3 LYS 33 HE2 LYS 33 -14.881 8.359 9.981 252 HZ1 LYS 33 HZ1 LYS 33 -14.169 7.954 7.186 253 HZ2 LYS 33 HZ2 LYS 33 -13.179 8.333 8.514 254 HZ3 LYS 33 HZ3 LYS 33 -14.085 9.552 7.750 255 H GLU 34 H GLU 34 -16.987 4.834 3.689 256 HA GLU 34 HA GLU 34 -18.069 2.184 3.212 257 HB2 GLU 34 HB3 GLU 34 -17.735 3.817 1.432 258 HB3 GLU 34 HB2 GLU 34 -16.010 3.908 1.796 259 HG2 GLU 34 HG3 GLU 34 -15.959 2.391 0.049 260 HG3 GLU 34 HG2 GLU 34 -16.149 1.279 1.404 261 H ARG 35 H ARG 35 -16.962 0.201 3.284 262 HA ARG 35 HA ARG 35 -14.268 0.265 4.594 263 HB2 ARG 35 HB3 ARG 35 -16.269 -0.699 5.810 264 HB3 ARG 35 HB2 ARG 35 -16.346 -1.941 4.560 265 HG2 ARG 35 HG3 ARG 35 -13.652 -1.603 5.662 266 HG3 ARG 35 HG2 ARG 35 -14.834 -2.093 6.876 267 HD2 ARG 35 HD3 ARG 35 -15.501 -3.716 4.743 268 HD3 ARG 35 HD2 ARG 35 -13.732 -3.637 4.627 269 HE ARG 35 HE ARG 35 -15.245 -4.842 6.821 270 HH11 ARG 35 HH11 ARG 35 -12.332 -3.280 5.817 271 HH12 ARG 35 HH12 ARG 35 -11.374 -3.967 7.085 272 HH21 ARG 35 HH21 ARG 35 -14.006 -5.742 8.481 273 HH22 ARG 35 HH22 ARG 35 -12.321 -5.360 8.592 274 H LEU 36 H LEU 36 -12.697 -0.169 3.104 275 HA LEU 36 HA LEU 36 -13.332 -1.918 0.782 276 HB2 LEU 36 HB3 LEU 36 -10.977 -0.125 1.447 277 HB3 LEU 36 HB2 LEU 36 -11.221 -0.958 -0.091 278 HG LEU 36 HG LEU 36 -13.416 0.778 0.981 279 HD11 LEU 36 HD11 LEU 36 -11.845 2.446 1.111 280 HD12 LEU 36 HD12 LEU 36 -12.169 2.523 -0.622 281 HD13 LEU 36 HD13 LEU 36 -10.756 1.651 -0.026 282 HD21 LEU 36 HD21 LEU 36 -13.241 1.180 -1.702 283 HD22 LEU 36 HD22 LEU 36 -14.176 -0.130 -0.979 284 HD23 LEU 36 HD23 LEU 36 -12.548 -0.438 -1.584 285 H LYS 37 H LYS 37 -12.119 -3.802 0.379 286 HA LYS 37 HA LYS 37 -10.539 -4.801 2.724 287 HB2 LYS 37 HB3 LYS 37 -12.064 -6.300 0.571 288 HB3 LYS 37 HB2 LYS 37 -11.327 -7.008 2.009 289 HG2 LYS 37 HG3 LYS 37 -13.306 -6.672 3.043 290 HG3 LYS 37 HG2 LYS 37 -12.917 -4.952 3.016 291 HD2 LYS 37 HD3 LYS 37 -14.484 -4.525 1.446 292 HD3 LYS 37 HD2 LYS 37 -13.961 -5.885 0.451 293 HE2 LYS 37 HE3 LYS 37 -15.225 -6.949 2.795 294 HE3 LYS 37 HE2 LYS 37 -16.299 -5.728 2.083 295 HZ1 LYS 37 HZ1 LYS 37 -15.471 -6.853 -0.124 296 HZ2 LYS 37 HZ2 LYS 37 -16.784 -7.494 0.743 297 HZ3 LYS 37 HZ3 LYS 37 -15.242 -8.189 0.893 298 H ALA 38 H ALA 38 -8.414 -5.248 2.360 299 HA ALA 38 HA ALA 38 -7.501 -5.695 -0.461 300 HB1 ALA 38 HB1 ALA 38 -7.068 -3.383 0.465 301 HB2 ALA 38 HB2 ALA 38 -5.602 -4.255 0.018 302 HB3 ALA 38 HB3 ALA 38 -6.073 -4.132 1.714 303 H TYR 39 H TYR 39 -5.809 -7.248 -0.654 304 HA TYR 39 HA TYR 39 -4.599 -8.408 1.776 305 HB2 TYR 39 HB3 TYR 39 -5.531 -10.700 1.035 306 HB3 TYR 39 HB2 TYR 39 -6.667 -9.588 1.798 307 HD1 TYR 39 HD1 TYR 39 -8.473 -8.586 0.559 308 HD2 TYR 39 HD2 TYR 39 -5.535 -11.005 -1.434 309 HE1 TYR 39 HE1 TYR 39 -9.894 -8.637 -1.474 310 HE2 TYR 39 HE2 TYR 39 -6.956 -11.057 -3.466 311 HH TYR 39 HH TYR 39 -9.808 -9.060 -3.764 312 H GLY 40 H GLY 40 -3.036 -10.194 1.134 313 HA2 GLY 40 HA3 GLY 40 -1.597 -9.393 -1.290 314 HA3 GLY 40 HA2 GLY 40 -1.065 -10.603 -0.121 315 H GLU 41 H GLU 41 -0.644 -12.291 -1.562 316 HA GLU 41 HA GLU 41 -2.145 -13.064 -3.821 317 HB2 GLU 41 HB3 GLU 41 -0.966 -15.169 -3.557 318 HB3 GLU 41 HB2 GLU 41 0.111 -13.881 -3.014 319 HG2 GLU 41 HG3 GLU 41 -1.026 -14.367 -0.669 320 HG3 GLU 41 HG2 GLU 41 -1.343 -15.942 -1.398 321 H LEU 42 H LEU 42 -3.914 -14.511 -4.092 322 HA LEU 42 HA LEU 42 -5.145 -15.828 -1.770 323 HB2 LEU 42 HB3 LEU 42 -5.738 -13.287 -1.849 324 HB3 LEU 42 HB2 LEU 42 -6.773 -13.735 -3.206 325 HG LEU 42 HG LEU 42 -7.249 -15.657 -1.189 326 HD11 LEU 42 HD11 LEU 42 -6.858 -14.584 0.755 327 HD12 LEU 42 HD12 LEU 42 -8.156 -13.471 0.319 328 HD13 LEU 42 HD13 LEU 42 -6.484 -13.080 -0.088 329 HD21 LEU 42 HD21 LEU 42 -9.492 -14.406 -1.122 330 HD22 LEU 42 HD22 LEU 42 -8.968 -14.992 -2.701 331 HD23 LEU 42 HD23 LEU 42 -8.778 -13.289 -2.285 332 H ILE 43 H ILE 43 -6.412 -17.548 -2.464 333 HA ILE 43 HA ILE 43 -7.259 -17.618 -5.329 334 HB ILE 43 HB ILE 43 -6.302 -19.880 -5.499 335 HG12 ILE 43 HG13 ILE 43 -4.681 -19.801 -3.095 336 HG13 ILE 43 HG12 ILE 43 -6.397 -19.755 -2.687 337 HG21 ILE 43 HG21 ILE 43 -4.374 -17.799 -4.425 338 HG22 ILE 43 HG22 ILE 43 -4.856 -18.008 -6.108 339 HG23 ILE 43 HG23 ILE 43 -3.894 -19.250 -5.304 340 HD11 ILE 43 HD11 ILE 43 -6.820 -21.822 -3.634 341 HD12 ILE 43 HD12 ILE 43 -5.164 -22.071 -3.084 342 HD13 ILE 43 HD13 ILE 43 -5.486 -21.693 -4.777 343 H THR 44 H THR 44 -8.403 -20.090 -5.409 344 HA THR 44 HA THR 44 -10.499 -19.918 -3.272 345 HB THR 44 HB THR 44 -10.671 -21.109 -6.052 346 HG1 THR 44 HG1 THR 44 -10.842 -18.500 -5.104 347 HG21 THR 44 HG21 THR 44 -12.498 -20.774 -3.775 348 HG22 THR 44 HG22 THR 44 -12.620 -21.851 -5.167 349 HG23 THR 44 HG23 THR 44 -13.150 -20.175 -5.301 350 H ASN 45 H ASN 45 -8.251 -22.089 -4.910 351 HA ASN 45 HA ASN 45 -9.314 -24.369 -3.277 352 HB2 ASN 45 HB3 ASN 45 -8.553 -24.020 -6.008 353 HB3 ASN 45 HB2 ASN 45 -7.418 -25.154 -5.277 354 HD21 ASN 45 HD21 ASN 45 -10.708 -24.751 -6.367 355 HD22 ASN 45 HD22 ASN 45 -11.250 -26.304 -5.948 356 H ASP 46 H ASP 46 -8.108 -23.895 -1.339 357 HA ASP 46 HA ASP 46 -5.131 -24.156 -1.636 358 HB2 ASP 46 HB3 ASP 46 -5.023 -22.737 0.388 359 HB3 ASP 46 HB2 ASP 46 -5.925 -21.931 -0.896 360 H LYS 47 H LYS 47 -4.899 -24.358 1.310 361 HA LYS 47 HA LYS 47 -5.696 -27.223 1.565 362 HB2 LYS 47 HB3 LYS 47 -3.455 -25.497 2.353 363 HB3 LYS 47 HB2 LYS 47 -3.999 -26.560 3.652 364 HG2 LYS 47 HG3 LYS 47 -3.277 -28.435 2.589 365 HG3 LYS 47 HG2 LYS 47 -3.822 -27.863 1.013 366 HD2 LYS 47 HD3 LYS 47 -1.810 -26.150 1.330 367 HD3 LYS 47 HD2 LYS 47 -1.202 -27.426 2.385 368 HE2 LYS 47 HE3 LYS 47 -1.987 -28.908 0.229 369 HE3 LYS 47 HE2 LYS 47 -1.471 -27.405 -0.563 370 HZ1 LYS 47 HZ1 LYS 47 0.081 -29.052 1.361 371 HZ2 LYS 47 HZ2 LYS 47 0.539 -27.485 0.889 372 HZ3 LYS 47 HZ3 LYS 47 0.464 -28.733 -0.260 373 H TRP 48 H TRP 48 -5.543 -27.385 4.377 374 HA TRP 48 HA TRP 48 -8.184 -26.683 5.192 375 HB2 TRP 48 HB3 TRP 48 -7.324 -27.388 7.406 376 HB3 TRP 48 HB2 TRP 48 -6.767 -28.480 6.137 377 HD1 TRP 48 HD1 TRP 48 -5.511 -25.291 7.927 378 HE1 TRP 48 HE1 TRP 48 -2.951 -25.466 8.182 379 HE3 TRP 48 HE3 TRP 48 -4.692 -29.724 5.533 380 HZ2 TRP 48 HZ2 TRP 48 -0.837 -27.251 7.461 381 HZ3 TRP 48 HZ3 TRP 48 -2.398 -30.638 5.330 382 HH2 TRP 48 HH2 TRP 48 -0.470 -29.408 6.289 383 H THR 49 H THR 49 -5.233 -24.847 5.132 384 HA THR 49 HA THR 49 -5.671 -22.970 7.215 385 HB THR 49 HB THR 49 -4.378 -21.510 5.376 386 HG1 THR 49 HG1 THR 49 -3.666 -24.049 4.489 387 HG21 THR 49 HG21 THR 49 -3.295 -23.979 6.760 388 HG22 THR 49 HG22 THR 49 -3.356 -22.344 7.419 389 HG23 THR 49 HG23 THR 49 -2.295 -22.707 6.058 390 H ARG 50 H ARG 50 -6.613 -20.830 7.126 391 HA ARG 50 HA ARG 50 -8.886 -20.629 5.205 392 HB2 ARG 50 HB3 ARG 50 -8.431 -20.132 7.994 393 HB3 ARG 50 HB2 ARG 50 -8.891 -18.611 7.227 394 HG2 ARG 50 HG3 ARG 50 -10.409 -21.216 6.914 395 HG3 ARG 50 HG2 ARG 50 -10.864 -19.921 8.022 396 HD2 ARG 50 HD3 ARG 50 -10.443 -19.312 5.098 397 HD3 ARG 50 HD2 ARG 50 -11.993 -19.965 5.665 398 HE ARG 50 HE ARG 50 -11.028 -17.287 6.171 399 HH11 ARG 50 HH11 ARG 50 -12.718 -19.975 7.531 400 HH12 ARG 50 HH12 ARG 50 -13.645 -19.003 8.624 401 HH21 ARG 50 HH21 ARG 50 -12.228 -16.013 7.590 402 HH22 ARG 50 HH22 ARG 50 -13.368 -16.761 8.658 403 H ASN 51 H ASN 51 -5.767 -19.353 5.772 404 HA ASN 51 HA ASN 51 -5.999 -17.467 3.571 405 HB2 ASN 51 HB3 ASN 51 -5.598 -15.458 5.050 406 HB3 ASN 51 HB2 ASN 51 -7.185 -16.199 5.267 407 HD21 ASN 51 HD21 ASN 51 -4.145 -15.495 6.843 408 HD22 ASN 51 HD22 ASN 51 -4.541 -16.174 8.348 409 H ARG 52 H ARG 52 -3.930 -16.848 2.862 410 HA ARG 52 HA ARG 52 -1.646 -18.161 4.242 411 HB2 ARG 52 HB3 ARG 52 -2.194 -16.988 1.513 412 HB3 ARG 52 HB2 ARG 52 -0.557 -17.422 2.008 413 HG2 ARG 52 HG3 ARG 52 -2.809 -19.394 2.319 414 HG3 ARG 52 HG2 ARG 52 -1.997 -19.206 0.763 415 HD2 ARG 52 HD3 ARG 52 -0.133 -19.412 3.038 416 HD3 ARG 52 HD2 ARG 52 -1.113 -20.868 2.774 417 HE ARG 52 HE ARG 52 -0.106 -19.788 0.276 418 HH11 ARG 52 HH11 ARG 52 0.648 -21.678 3.067 419 HH12 ARG 52 HH12 ARG 52 1.876 -22.602 2.269 420 HH21 ARG 52 HH21 ARG 52 1.500 -20.982 -0.772 421 HH22 ARG 52 HH22 ARG 52 2.358 -22.208 0.099 422 HA PRO 53 HA PRO 53 -0.333 -14.308 5.941 423 HB2 PRO 53 HB3 PRO 53 2.328 -14.967 6.286 424 HB3 PRO 53 HB2 PRO 53 1.030 -15.450 7.394 425 HG2 PRO 53 HG3 PRO 53 2.380 -17.014 5.265 426 HG3 PRO 53 HG2 PRO 53 1.785 -17.537 6.847 427 HD2 PRO 53 HD3 PRO 53 0.476 -18.055 4.524 428 HD3 PRO 53 HD2 PRO 53 -0.354 -17.857 6.084 429 H ILE 54 H ILE 54 1.121 -12.519 5.370 430 HA ILE 54 HA ILE 54 1.600 -12.349 2.476 431 HB ILE 54 HB ILE 54 1.849 -10.466 4.837 432 HG12 ILE 54 HG13 ILE 54 -0.441 -11.027 4.221 433 HG13 ILE 54 HG12 ILE 54 -0.098 -9.380 3.693 434 HG21 ILE 54 HG21 ILE 54 2.254 -9.900 1.884 435 HG22 ILE 54 HG22 ILE 54 3.498 -9.828 3.133 436 HG23 ILE 54 HG23 ILE 54 2.164 -8.674 3.150 437 HD11 ILE 54 HD11 ILE 54 0.710 -10.880 1.521 438 HD12 ILE 54 HD12 ILE 54 -0.846 -10.062 1.665 439 HD13 ILE 54 HD13 ILE 54 -0.702 -11.767 2.092 440 H VAL 55 H VAL 55 3.590 -12.576 1.525 441 HA VAL 55 HA VAL 55 5.945 -13.074 3.276 442 HB VAL 55 HB VAL 55 5.293 -14.704 1.541 443 HG11 VAL 55 HG11 VAL 55 6.088 -13.281 -0.808 444 HG12 VAL 55 HG12 VAL 55 4.869 -12.319 0.027 445 HG13 VAL 55 HG13 VAL 55 4.512 -13.981 -0.440 446 HG21 VAL 55 HG21 VAL 55 7.870 -13.190 1.344 447 HG22 VAL 55 HG22 VAL 55 7.534 -14.433 0.137 448 HG23 VAL 55 HG23 VAL 55 7.588 -14.857 1.848 449 H SER 56 H SER 56 7.858 -11.821 3.068 450 HA SER 56 HA SER 56 7.625 -9.353 1.374 451 HB2 SER 56 HB3 SER 56 9.038 -8.390 3.335 452 HB3 SER 56 HB2 SER 56 7.323 -8.674 3.617 453 HG SER 56 HG SER 56 9.133 -10.754 4.092 454 H THR 57 H THR 57 9.583 -8.622 0.412 455 HA THR 57 HA THR 57 11.692 -10.714 0.222 456 HB THR 57 HB THR 57 12.240 -9.581 -1.860 457 HG1 THR 57 HG1 THR 57 10.244 -7.673 -1.388 458 HG21 THR 57 HG21 THR 57 9.369 -9.254 -2.193 459 HG22 THR 57 HG22 THR 57 9.751 -10.723 -1.294 460 HG23 THR 57 HG23 THR 57 10.444 -10.462 -2.895 461 H LYS 58 H LYS 58 13.823 -10.272 0.840 462 HA LYS 58 HA LYS 58 14.380 -7.529 1.925 463 HB2 LYS 58 HB3 LYS 58 15.569 -8.643 3.754 464 HB3 LYS 58 HB2 LYS 58 13.924 -9.275 3.656 465 HG2 LYS 58 HG3 LYS 58 15.249 -10.955 1.946 466 HG3 LYS 58 HG2 LYS 58 16.492 -10.638 3.157 467 HD2 LYS 58 HD3 LYS 58 15.293 -12.512 3.994 468 HD3 LYS 58 HD2 LYS 58 14.678 -11.134 4.909 469 HE2 LYS 58 HE3 LYS 58 12.748 -10.968 3.357 470 HE3 LYS 58 HE2 LYS 58 13.353 -12.384 2.475 471 HZ1 LYS 58 HZ1 LYS 58 12.170 -12.226 5.133 472 HZ2 LYS 58 HZ2 LYS 58 13.487 -13.285 4.961 473 HZ3 LYS 58 HZ3 LYS 58 12.105 -13.480 3.993 474 H LYS 59 H LYS 59 16.274 -6.639 1.164 475 HA LYS 59 HA LYS 59 18.392 -8.427 0.077 476 HB2 LYS 59 HB3 LYS 59 16.568 -6.612 -1.398 477 HB3 LYS 59 HB2 LYS 59 18.270 -6.500 -1.849 478 HG2 LYS 59 HG3 LYS 59 18.373 -8.736 -2.534 479 HG3 LYS 59 HG2 LYS 59 16.964 -9.195 -1.578 480 HD2 LYS 59 HD3 LYS 59 16.299 -7.135 -3.521 481 HD3 LYS 59 HD2 LYS 59 16.983 -8.560 -4.304 482 HE2 LYS 59 HE3 LYS 59 14.734 -8.686 -2.264 483 HE3 LYS 59 HE2 LYS 59 14.485 -8.704 -4.022 484 HZ1 LYS 59 HZ1 LYS 59 15.416 -10.739 -4.235 485 HZ2 LYS 59 HZ2 LYS 59 14.909 -10.916 -2.624 486 HZ3 LYS 59 HZ3 LYS 59 16.520 -10.504 -2.970 487 H LEU 60 H LEU 60 20.422 -7.603 0.521 488 HA LEU 60 HA LEU 60 20.569 -4.774 1.506 489 HB2 LEU 60 HB3 LEU 60 22.651 -5.956 2.735 490 HB3 LEU 60 HB2 LEU 60 21.032 -5.953 3.426 491 HG LEU 60 HG LEU 60 20.622 -8.166 2.291 492 HD11 LEU 60 HD11 LEU 60 23.059 -9.253 1.861 493 HD12 LEU 60 HD12 LEU 60 23.395 -7.589 1.380 494 HD13 LEU 60 HD13 LEU 60 22.113 -8.498 0.578 495 HD21 LEU 60 HD21 LEU 60 22.046 -9.443 3.896 496 HD22 LEU 60 HD22 LEU 60 21.234 -8.071 4.650 497 HD23 LEU 60 HD23 LEU 60 22.944 -7.962 4.231 498 H ASP 61 H ASP 61 22.267 -3.515 0.713 499 HA ASP 61 HA ASP 61 23.677 -4.566 -1.664 500 HB2 ASP 61 HB3 ASP 61 22.456 -2.225 -1.072 501 HB3 ASP 61 HB2 ASP 61 24.112 -1.813 -0.624 502 H LYS 62 H LYS 62 26.022 -3.140 -1.646 503 HA LYS 62 HA LYS 62 27.720 -4.696 0.108 504 HB2 LYS 62 HB3 LYS 62 28.466 -4.032 -2.081 505 HB3 LYS 62 HB2 LYS 62 28.127 -2.333 -1.745 506 HG2 LYS 62 HG3 LYS 62 29.949 -3.586 0.195 507 HG3 LYS 62 HG2 LYS 62 30.588 -3.528 -1.448 508 HD2 LYS 62 HD3 LYS 62 29.358 -1.019 -0.969 509 HD3 LYS 62 HD2 LYS 62 30.333 -1.384 0.453 510 HE2 LYS 62 HE3 LYS 62 31.712 -2.052 -2.051 511 HE3 LYS 62 HE2 LYS 62 31.323 -0.325 -1.908 512 HZ1 LYS 62 HZ1 LYS 62 33.427 -0.919 -0.790 513 HZ2 LYS 62 HZ2 LYS 62 32.567 -1.957 0.243 514 HZ3 LYS 62 HZ3 LYS 62 32.276 -0.284 0.281 515 H GLU 63 H GLU 63 25.894 -1.895 0.678 516 HA GLU 63 HA GLU 63 27.823 -0.773 2.642 517 HB2 GLU 63 HB3 GLU 63 25.093 0.117 1.658 518 HB3 GLU 63 HB2 GLU 63 26.141 1.058 2.722 519 HG2 GLU 63 HG3 GLU 63 27.758 1.388 1.046 520 HG3 GLU 63 HG2 GLU 63 27.156 0.046 0.072 521 H GLY 64 H GLY 64 25.175 -2.934 2.531 522 HA2 GLY 64 HA3 GLY 64 24.527 -4.251 4.453 523 HA3 GLY 64 HA2 GLY 64 25.076 -2.942 5.498 524 H ARG 65 H ARG 65 23.371 -1.532 3.019 525 HA ARG 65 HA ARG 65 21.116 -0.905 4.753 526 HB2 ARG 65 HB3 ARG 65 22.415 0.272 2.653 527 HB3 ARG 65 HB2 ARG 65 20.968 -0.343 1.851 528 HG2 ARG 65 HG3 ARG 65 20.160 1.695 2.589 529 HG3 ARG 65 HG2 ARG 65 19.773 0.696 3.990 530 HD2 ARG 65 HD3 ARG 65 20.931 2.317 5.135 531 HD3 ARG 65 HD2 ARG 65 22.355 1.424 4.564 532 HE ARG 65 HE ARG 65 21.359 3.297 2.575 533 HH11 ARG 65 HH11 ARG 65 23.277 2.888 5.418 534 HH12 ARG 65 HH12 ARG 65 24.292 4.252 5.083 535 HH21 ARG 65 HH21 ARG 65 22.673 5.076 2.131 536 HH22 ARG 65 HH22 ARG 65 23.950 5.489 3.225 537 H THR 66 H THR 66 19.355 -2.218 4.983 538 HA THR 66 HA THR 66 18.851 -4.366 3.004 539 HB THR 66 HB THR 66 17.728 -3.633 5.725 540 HG1 THR 66 HG1 THR 66 19.357 -5.768 4.810 541 HG21 THR 66 HG21 THR 66 16.027 -5.060 5.384 542 HG22 THR 66 HG22 THR 66 17.155 -6.327 4.900 543 HG23 THR 66 HG23 THR 66 16.524 -5.202 3.698 544 H HIS 67 H HIS 67 17.189 -4.255 1.531 545 HA HIS 67 HA HIS 67 15.294 -1.935 1.735 546 HB2 HIS 67 HB3 HIS 67 16.387 -3.554 -0.589 547 HB3 HIS 67 HB2 HIS 67 15.140 -2.320 -0.763 548 HD1 HIS 67 HD1 HIS 67 18.412 -2.444 -1.587 549 HD2 HIS 67 HD2 HIS 67 16.438 0.047 1.110 550 HE1 HIS 67 HE1 HIS 67 19.866 -0.389 -1.315 551 H HIS 68 H HIS 68 13.077 -2.389 1.680 552 HA HIS 68 HA HIS 68 12.309 -5.285 1.477 553 HB2 HIS 68 HB3 HIS 68 11.812 -3.147 3.425 554 HB3 HIS 68 HB2 HIS 68 10.339 -3.973 2.921 555 HD1 HIS 68 HD1 HIS 68 12.911 -4.252 5.362 556 HD2 HIS 68 HD2 HIS 68 10.886 -7.015 2.986 557 HE1 HIS 68 HE1 HIS 68 13.221 -6.510 6.466 558 H TYR 69 H TYR 69 10.656 -5.769 0.047 559 HA TYR 69 HA TYR 69 9.233 -3.467 -1.254 560 HB2 TYR 69 HB3 TYR 69 10.151 -6.077 -2.504 561 HB3 TYR 69 HB2 TYR 69 9.457 -4.693 -3.349 562 HD1 TYR 69 HD1 TYR 69 12.350 -5.731 -1.226 563 HD2 TYR 69 HD2 TYR 69 10.829 -2.921 -4.095 564 HE1 TYR 69 HE1 TYR 69 14.608 -4.732 -1.443 565 HE2 TYR 69 HE2 TYR 69 13.087 -1.920 -4.313 566 HH TYR 69 HH TYR 69 15.228 -1.835 -2.606 567 H MET 70 H MET 70 7.057 -3.624 -0.853 568 HA MET 70 HA MET 70 5.818 -6.345 -0.792 569 HB2 MET 70 HB3 MET 70 6.371 -5.552 1.506 570 HB3 MET 70 HB2 MET 70 5.386 -4.115 1.223 571 HG2 MET 70 HG3 MET 70 3.452 -5.242 1.560 572 HG3 MET 70 HG2 MET 70 3.986 -6.613 0.587 573 HE1 MET 70 HE1 MET 70 5.688 -5.431 4.459 574 HE2 MET 70 HE2 MET 70 3.966 -5.577 4.803 575 HE3 MET 70 HE3 MET 70 4.508 -4.554 3.476 576 H ARG 71 H ARG 71 3.811 -6.397 -1.790 577 HA ARG 71 HA ARG 71 2.393 -3.830 -2.326 578 HB2 ARG 71 HB3 ARG 71 2.236 -4.485 -4.726 579 HB3 ARG 71 HB2 ARG 71 3.908 -4.252 -4.217 580 HG2 ARG 71 HG3 ARG 71 4.010 -6.289 -5.377 581 HG3 ARG 71 HG2 ARG 71 3.851 -6.810 -3.700 582 HD2 ARG 71 HD3 ARG 71 1.859 -7.808 -4.127 583 HD3 ARG 71 HD2 ARG 71 1.241 -6.351 -4.931 584 HE ARG 71 HE ARG 71 1.949 -7.252 -7.006 585 HH11 ARG 71 HH11 ARG 71 3.376 -8.891 -4.320 586 HH12 ARG 71 HH12 ARG 71 4.092 -10.131 -5.294 587 HH21 ARG 71 HH21 ARG 71 2.874 -8.867 -8.283 588 HH22 ARG 71 HH22 ARG 71 3.810 -10.117 -7.534 589 H PHE 72 H PHE 72 0.127 -4.134 -2.605 590 HA PHE 72 HA PHE 72 -0.934 -6.911 -2.595 591 HB2 PHE 72 HB3 PHE 72 -2.450 -5.970 -0.625 592 HB3 PHE 72 HB2 PHE 72 -0.860 -6.645 -0.284 593 HD1 PHE 72 HD1 PHE 72 -2.577 -3.411 -1.072 594 HD2 PHE 72 HD2 PHE 72 0.764 -5.348 0.807 595 HE1 PHE 72 HE1 PHE 72 -1.855 -1.240 -0.116 596 HE2 PHE 72 HE2 PHE 72 1.486 -3.178 1.763 597 HZ PHE 72 HZ PHE 72 0.176 -1.123 1.302 598 H HIS 73 H HIS 73 -3.201 -6.984 -3.205 599 HA HIS 73 HA HIS 73 -4.044 -4.582 -4.754 600 HB2 HIS 73 HB3 HIS 73 -4.862 -7.503 -4.715 601 HB3 HIS 73 HB2 HIS 73 -5.623 -6.296 -5.751 602 HD1 HIS 73 HD1 HIS 73 -4.556 -5.994 -7.982 603 HD2 HIS 73 HD2 HIS 73 -1.877 -7.572 -5.205 604 HE1 HIS 73 HE1 HIS 73 -2.410 -6.463 -9.243 605 H VAL 74 H VAL 74 -6.332 -3.937 -4.640 606 HA VAL 74 HA VAL 74 -7.611 -4.571 -2.001 607 HB VAL 74 HB VAL 74 -7.633 -1.968 -3.564 608 HG11 VAL 74 HG11 VAL 74 -8.294 -1.197 -1.144 609 HG12 VAL 74 HG12 VAL 74 -8.751 -2.887 -0.930 610 HG13 VAL 74 HG13 VAL 74 -9.520 -1.917 -2.185 611 HG21 VAL 74 HG21 VAL 74 -5.607 -3.144 -1.870 612 HG22 VAL 74 HG22 VAL 74 -6.256 -1.691 -1.109 613 HG23 VAL 74 HG23 VAL 74 -5.569 -1.605 -2.731 614 H GLU 75 H GLU 75 -9.892 -4.864 -2.080 615 HA GLU 75 HA GLU 75 -11.055 -4.936 -4.846 616 HB2 GLU 75 HB3 GLU 75 -10.571 -7.009 -3.142 617 HB3 GLU 75 HB2 GLU 75 -12.221 -6.587 -2.683 618 HG2 GLU 75 HG3 GLU 75 -12.860 -6.678 -5.105 619 HG3 GLU 75 HG2 GLU 75 -11.238 -7.269 -5.465 620 H SER 76 H SER 76 -12.585 -3.388 -5.092 621 HA SER 76 HA SER 76 -14.229 -2.584 -2.714 622 HB2 SER 76 HB3 SER 76 -14.022 -0.832 -5.100 623 HB3 SER 76 HB2 SER 76 -13.961 -0.410 -3.392 624 HG SER 76 HG SER 76 -11.940 -1.098 -5.147 625 H LYS 77 H LYS 77 -16.446 -1.664 -3.524 626 HA LYS 77 HA LYS 77 -17.738 -3.741 -5.126 627 HB2 LYS 77 HB3 LYS 77 -19.748 -2.293 -4.622 628 HB3 LYS 77 HB2 LYS 77 -18.839 -2.779 -3.189 629 HG2 LYS 77 HG3 LYS 77 -18.026 -0.655 -2.812 630 HG3 LYS 77 HG2 LYS 77 -18.042 -0.231 -4.524 631 HD2 LYS 77 HD3 LYS 77 -20.376 0.173 -4.519 632 HD3 LYS 77 HD2 LYS 77 -20.602 -0.671 -2.987 633 HE2 LYS 77 HE3 LYS 77 -19.666 1.100 -1.731 634 HE3 LYS 77 HE2 LYS 77 -18.872 1.804 -3.154 635 HZ1 LYS 77 HZ1 LYS 77 -20.863 2.556 -4.010 636 HZ2 LYS 77 HZ2 LYS 77 -21.102 2.804 -2.347 637 HZ3 LYS 77 HZ3 LYS 77 -21.797 1.459 -3.117 638 H LYS 78 H LYS 78 -16.220 -0.732 -5.793 639 HA LYS 78 HA LYS 78 -17.770 -0.293 -8.296 640 HB2 LYS 78 HB3 LYS 78 -15.510 1.274 -7.010 641 HB3 LYS 78 HB2 LYS 78 -16.567 1.837 -8.305 642 HG2 LYS 78 HG3 LYS 78 -18.387 1.051 -6.408 643 HG3 LYS 78 HG2 LYS 78 -17.074 1.674 -5.409 644 HD2 LYS 78 HD3 LYS 78 -17.292 3.825 -6.214 645 HD3 LYS 78 HD2 LYS 78 -17.883 3.286 -7.788 646 HE2 LYS 78 HE3 LYS 78 -19.807 2.427 -5.891 647 HE3 LYS 78 HE2 LYS 78 -19.424 4.116 -5.497 648 HZ1 LYS 78 HZ1 LYS 78 -21.124 3.918 -7.256 649 HZ2 LYS 78 HZ2 LYS 78 -19.997 3.104 -8.233 650 HZ3 LYS 78 HZ3 LYS 78 -19.729 4.723 -7.788 651 H LYS 79 H LYS 79 -14.661 -1.459 -7.165 652 HA LYS 79 HA LYS 79 -13.964 -2.717 -9.623 653 HB2 LYS 79 HB3 LYS 79 -13.702 0.114 -9.593 654 HB3 LYS 79 HB2 LYS 79 -12.067 -0.549 -9.558 655 HG2 LYS 79 HG3 LYS 79 -12.209 -1.270 -11.693 656 HG3 LYS 79 HG2 LYS 79 -13.804 -1.977 -11.426 657 HD2 LYS 79 HD3 LYS 79 -13.811 -0.112 -13.107 658 HD3 LYS 79 HD2 LYS 79 -14.872 0.182 -11.729 659 HE2 LYS 79 HE3 LYS 79 -13.764 2.215 -11.744 660 HE3 LYS 79 HE2 LYS 79 -12.591 1.299 -10.777 661 HZ1 LYS 79 HZ1 LYS 79 -11.295 0.837 -12.649 662 HZ2 LYS 79 HZ2 LYS 79 -11.710 2.473 -12.841 663 HZ3 LYS 79 HZ3 LYS 79 -12.522 1.276 -13.735 664 H ILE 80 H ILE 80 -11.344 -2.923 -9.649 665 HA ILE 80 HA ILE 80 -10.538 -3.484 -6.814 666 HB ILE 80 HB ILE 80 -9.709 -4.798 -9.424 667 HG12 ILE 80 HG13 ILE 80 -11.670 -5.606 -7.255 668 HG13 ILE 80 HG12 ILE 80 -12.021 -5.326 -8.961 669 HG21 ILE 80 HG21 ILE 80 -8.004 -4.888 -7.617 670 HG22 ILE 80 HG22 ILE 80 -8.670 -6.481 -7.975 671 HG23 ILE 80 HG23 ILE 80 -9.206 -5.603 -6.542 672 HD11 ILE 80 HD11 ILE 80 -10.588 -7.634 -7.681 673 HD12 ILE 80 HD12 ILE 80 -10.230 -7.206 -9.354 674 HD13 ILE 80 HD13 ILE 80 -11.871 -7.655 -8.890 675 H ALA 81 H ALA 81 -8.562 -2.640 -6.138 676 HA ALA 81 HA ALA 81 -6.978 -1.122 -8.193 677 HB1 ALA 81 HB1 ALA 81 -7.453 0.704 -6.961 678 HB2 ALA 81 HB2 ALA 81 -6.652 -0.037 -5.574 679 HB3 ALA 81 HB3 ALA 81 -8.379 -0.289 -5.835 680 H LEU 82 H LEU 82 -4.671 -0.951 -7.717 681 HA LEU 82 HA LEU 82 -3.667 -3.144 -5.928 682 HB2 LEU 82 HB3 LEU 82 -3.373 -3.699 -8.260 683 HB3 LEU 82 HB2 LEU 82 -2.741 -2.094 -8.618 684 HG LEU 82 HG LEU 82 -1.043 -4.034 -8.356 685 HD11 LEU 82 HD11 LEU 82 -0.852 -1.334 -8.031 686 HD12 LEU 82 HD12 LEU 82 0.526 -2.433 -7.968 687 HD13 LEU 82 HD13 LEU 82 -0.245 -1.900 -6.475 688 HD21 LEU 82 HD21 LEU 82 -0.655 -4.937 -6.288 689 HD22 LEU 82 HD22 LEU 82 -2.334 -4.480 -6.007 690 HD23 LEU 82 HD23 LEU 82 -1.031 -3.432 -5.448 691 H VAL 83 H VAL 83 -2.361 -2.408 -4.299 692 HA VAL 83 HA VAL 83 -1.231 0.357 -4.536 693 HB VAL 83 HB VAL 83 -1.856 -1.370 -2.118 694 HG11 VAL 83 HG11 VAL 83 -0.022 0.478 -2.023 695 HG12 VAL 83 HG12 VAL 83 -1.276 0.478 -0.782 696 HG13 VAL 83 HG13 VAL 83 -1.375 1.605 -2.135 697 HG21 VAL 83 HG21 VAL 83 -3.349 0.904 -3.458 698 HG22 VAL 83 HG22 VAL 83 -3.705 0.346 -1.823 699 HG23 VAL 83 HG23 VAL 83 -3.922 -0.743 -3.193 700 H HIS 84 H HIS 84 0.981 0.566 -4.504 701 HA HIS 84 HA HIS 84 2.609 -1.796 -3.625 702 HB2 HIS 84 HB3 HIS 84 2.257 -1.196 -6.185 703 HB3 HIS 84 HB2 HIS 84 3.481 0.028 -5.843 704 HD1 HIS 84 HD1 HIS 84 3.287 -3.294 -7.029 705 HD2 HIS 84 HD2 HIS 84 5.762 -1.397 -4.263 706 HE1 HIS 84 HE1 HIS 84 5.344 -4.750 -6.791 707 H LEU 85 H LEU 85 4.312 -1.248 -2.267 708 HA LEU 85 HA LEU 85 5.133 1.616 -2.115 709 HB2 LEU 85 HB3 LEU 85 4.824 1.567 0.313 710 HB3 LEU 85 HB2 LEU 85 3.309 1.129 -0.480 711 HG LEU 85 HG LEU 85 4.344 -1.326 -0.261 712 HD11 LEU 85 HD11 LEU 85 5.279 -0.292 2.360 713 HD12 LEU 85 HD12 LEU 85 6.325 0.043 0.980 714 HD13 LEU 85 HD13 LEU 85 5.907 -1.622 1.385 715 HD21 LEU 85 HD21 LEU 85 2.427 0.243 1.122 716 HD22 LEU 85 HD22 LEU 85 3.321 -0.657 2.349 717 HD23 LEU 85 HD23 LEU 85 2.513 -1.517 1.038 718 H GLU 86 H GLU 86 7.286 1.892 -1.389 719 HA GLU 86 HA GLU 86 8.855 -0.636 -0.983 720 HB2 GLU 86 HB3 GLU 86 9.080 1.639 -2.834 721 HB3 GLU 86 HB2 GLU 86 10.590 1.271 -1.999 722 HG2 GLU 86 HG3 GLU 86 10.490 -0.042 -4.046 723 HG3 GLU 86 HG2 GLU 86 10.317 -1.127 -2.665 724 H ALA 87 H ALA 87 10.217 -0.619 0.817 725 HA ALA 87 HA ALA 87 10.566 1.994 2.243 726 HB1 ALA 87 HB1 ALA 87 9.311 1.165 3.923 727 HB2 ALA 87 HB2 ALA 87 10.406 -0.208 4.074 728 HB3 ALA 87 HB3 ALA 87 9.030 -0.296 2.975 729 H LYS 88 H LYS 88 12.532 2.212 3.369 730 HA LYS 88 HA LYS 88 14.511 -0.021 3.111 731 HB2 LYS 88 HB3 LYS 88 16.150 1.922 2.585 732 HB3 LYS 88 HB2 LYS 88 15.041 1.430 1.303 733 HG2 LYS 88 HG3 LYS 88 13.702 3.309 1.549 734 HG3 LYS 88 HG2 LYS 88 14.182 3.550 3.229 735 HD2 LYS 88 HD3 LYS 88 16.468 3.730 1.441 736 HD3 LYS 88 HD2 LYS 88 15.216 4.896 1.010 737 HE2 LYS 88 HE3 LYS 88 15.301 5.029 3.797 738 HE3 LYS 88 HE2 LYS 88 17.005 4.901 3.317 739 HZ1 LYS 88 HZ1 LYS 88 15.008 6.916 2.540 740 HZ2 LYS 88 HZ2 LYS 88 16.269 6.544 1.466 741 HZ3 LYS 88 HZ3 LYS 88 16.619 7.137 3.019 742 H GLU 89 H GLU 89 15.977 -0.106 4.878 743 HA GLU 89 HA GLU 89 15.069 1.285 7.299 744 HB2 GLU 89 HB3 GLU 89 16.769 -0.205 8.345 745 HB3 GLU 89 HB2 GLU 89 15.667 -1.091 7.292 746 HG2 GLU 89 HG3 GLU 89 17.312 -1.634 5.826 747 HG3 GLU 89 HG2 GLU 89 18.049 -0.035 5.917 748 H SER 90 H SER 90 16.127 2.942 8.334 749 HA SER 90 HA SER 90 18.753 3.860 7.209 750 HB2 SER 90 HB3 SER 90 16.209 5.068 7.036 751 HB3 SER 90 HB2 SER 90 17.082 5.988 8.258 752 HG SER 90 HG SER 90 17.322 6.438 5.825 753 H LYS 91 H LYS 91 20.190 4.745 8.783 754 HA LYS 91 HA LYS 91 20.186 3.699 11.391 755 HB2 LYS 91 HB3 LYS 91 22.038 4.817 10.038 756 HB3 LYS 91 HB2 LYS 91 21.361 6.362 10.555 757 HG2 LYS 91 HG3 LYS 91 22.151 4.182 12.500 758 HG3 LYS 91 HG2 LYS 91 23.250 5.471 12.007 759 HD2 LYS 91 HD3 LYS 91 20.910 6.825 12.663 760 HD3 LYS 91 HD2 LYS 91 21.014 5.560 13.888 761 HE2 LYS 91 HE3 LYS 91 23.346 7.372 13.181 762 HE3 LYS 91 HE2 LYS 91 22.226 7.691 14.520 763 HZ1 LYS 91 HZ1 LYS 91 22.692 5.217 15.079 764 HZ2 LYS 91 HZ2 LYS 91 23.815 6.403 15.549 765 HZ3 LYS 91 HZ3 LYS 91 24.106 5.452 14.172 766 H GLN 92 H GLN 92 19.422 4.452 13.386 767 HA GLN 92 HA GLN 92 17.811 5.521 14.769 768 HB2 GLN 92 HB3 GLN 92 19.853 6.978 14.658 769 HB3 GLN 92 HB2 GLN 92 19.083 7.886 13.358 770 HG2 GLN 92 HG3 GLN 92 18.535 9.146 15.262 771 HG3 GLN 92 HG2 GLN 92 17.100 8.146 15.030 772 HE21 GLN 92 HE21 GLN 92 16.406 7.198 16.944 773 HE22 GLN 92 HE22 GLN 92 17.412 6.735 18.229 774 H ASN 93 H ASN 93 16.179 4.596 13.003 775 HA ASN 93 HA ASN 93 14.432 6.874 12.238 776 HB2 ASN 93 HB3 ASN 93 16.149 6.085 10.408 777 HB3 ASN 93 HB2 ASN 93 15.043 4.724 10.223 778 HD21 ASN 93 HD21 ASN 93 14.398 8.219 10.864 779 HD22 ASN 93 HD22 ASN 93 13.371 8.423 9.528 780 H TYR 94 H TYR 94 14.307 4.644 14.215 781 HA TYR 94 HA TYR 94 12.812 2.938 14.907 782 HB2 TYR 94 HB3 TYR 94 11.565 5.289 14.216 783 HB3 TYR 94 HB2 TYR 94 10.663 4.118 13.258 784 HD1 TYR 94 HD1 TYR 94 12.317 3.689 16.585 785 HD2 TYR 94 HD2 TYR 94 8.618 3.841 14.403 786 HE1 TYR 94 HE1 TYR 94 11.087 2.970 18.616 787 HE2 TYR 94 HE2 TYR 94 7.391 3.120 16.434 788 HH TYR 94 HH TYR 94 8.394 3.356 19.367 789 H GLN 95 H GLN 95 10.412 2.292 13.130 790 HA GLN 95 HA GLN 95 11.525 0.015 11.771 791 HB2 GLN 95 HB3 GLN 95 8.878 1.480 11.739 792 HB3 GLN 95 HB2 GLN 95 9.144 0.022 10.780 793 HG2 GLN 95 HG3 GLN 95 9.363 -1.338 12.655 794 HG3 GLN 95 HG2 GLN 95 9.865 -0.002 13.691 795 HE21 GLN 95 HE21 GLN 95 8.099 -0.809 15.192 796 HE22 GLN 95 HE22 GLN 95 6.497 -0.330 14.892 797 HA PRO 96 HA PRO 96 12.925 1.321 7.845 798 HB2 PRO 96 HB3 PRO 96 10.674 -0.236 6.641 799 HB3 PRO 96 HB2 PRO 96 12.411 -0.303 6.279 800 HG2 PRO 96 HG3 PRO 96 11.150 -2.176 7.756 801 HG3 PRO 96 HG2 PRO 96 12.849 -1.746 7.982 802 HD2 PRO 96 HD3 PRO 96 10.552 -1.215 9.725 803 HD3 PRO 96 HD2 PRO 96 12.289 -1.186 10.102 804 H ASP 97 H ASP 97 12.283 2.793 6.100 805 HA ASP 97 HA ASP 97 9.666 4.156 6.644 806 HB2 ASP 97 HB3 ASP 97 10.800 6.197 6.099 807 HB3 ASP 97 HB2 ASP 97 11.892 5.301 7.152 808 H PHE 98 H PHE 98 8.324 4.564 4.889 809 HA PHE 98 HA PHE 98 8.805 3.088 2.418 810 HB2 PHE 98 HB3 PHE 98 6.667 5.138 3.067 811 HB3 PHE 98 HB2 PHE 98 6.555 3.803 1.921 812 HD1 PHE 98 HD1 PHE 98 7.334 1.437 3.124 813 HD2 PHE 98 HD2 PHE 98 5.484 4.805 5.044 814 HE1 PHE 98 HE1 PHE 98 6.506 -0.047 4.929 815 HE2 PHE 98 HE2 PHE 98 4.655 3.319 6.849 816 HZ PHE 98 HZ PHE 98 5.166 0.893 6.791 817 H ILE 99 H ILE 99 9.565 3.939 0.492 818 HA ILE 99 HA ILE 99 10.166 6.878 0.451 819 HB ILE 99 HB ILE 99 11.886 5.976 -1.325 820 HG12 ILE 99 HG13 ILE 99 11.358 3.483 0.325 821 HG13 ILE 99 HG12 ILE 99 10.903 3.681 -1.368 822 HG21 ILE 99 HG21 ILE 99 12.685 5.028 1.355 823 HG22 ILE 99 HG22 ILE 99 12.050 6.672 1.308 824 HG23 ILE 99 HG23 ILE 99 13.441 6.234 0.314 825 HD11 ILE 99 HD11 ILE 99 13.060 2.477 -1.132 826 HD12 ILE 99 HD12 ILE 99 13.731 3.875 -0.293 827 HD13 ILE 99 HD13 ILE 99 13.255 4.009 -1.986 828 H ASN 100 H ASN 100 8.347 4.379 -1.006 829 HA ASN 100 HA ASN 100 7.435 6.253 -3.120 830 HB2 ASN 100 HB3 ASN 100 8.298 3.426 -3.773 831 HB3 ASN 100 HB2 ASN 100 7.977 4.748 -4.894 832 HD21 ASN 100 HD21 ASN 100 10.492 3.087 -3.404 833 HD22 ASN 100 HD22 ASN 100 11.700 4.273 -3.527 834 H MET 101 H MET 101 5.223 6.093 -3.239 835 HA MET 101 HA MET 101 3.917 3.483 -2.646 836 HB2 MET 101 HB3 MET 101 4.234 5.517 -0.768 837 HB3 MET 101 HB2 MET 101 2.596 5.763 -1.373 838 HG2 MET 101 HG3 MET 101 2.884 2.974 -1.046 839 HG3 MET 101 HG2 MET 101 3.579 3.706 0.400 840 HE1 MET 101 HE1 MET 101 0.262 2.337 1.327 841 HE2 MET 101 HE2 MET 101 1.544 1.830 0.231 842 HE3 MET 101 HE3 MET 101 -0.033 2.272 -0.416 843 H TYR 102 H TYR 102 2.556 3.165 -4.360 844 HA TYR 102 HA TYR 102 0.860 5.426 -5.290 845 HB2 TYR 102 HB3 TYR 102 1.592 5.149 -7.573 846 HB3 TYR 102 HB2 TYR 102 3.046 5.283 -6.584 847 HD1 TYR 102 HD1 TYR 102 0.823 2.911 -8.369 848 HD2 TYR 102 HD2 TYR 102 4.564 3.441 -6.327 849 HE1 TYR 102 HE1 TYR 102 1.575 0.688 -9.172 850 HE2 TYR 102 HE2 TYR 102 5.317 1.220 -7.130 851 HH TYR 102 HH TYR 102 3.850 -0.436 -9.605 852 H VAL 103 H VAL 103 -0.964 4.621 -6.638 853 HA VAL 103 HA VAL 103 -1.525 1.706 -6.181 854 HB VAL 103 HB VAL 103 -2.782 3.254 -4.706 855 HG11 VAL 103 HG11 VAL 103 -4.629 4.506 -6.289 856 HG12 VAL 103 HG12 VAL 103 -3.187 4.611 -7.299 857 HG13 VAL 103 HG13 VAL 103 -3.171 5.281 -5.668 858 HG21 VAL 103 HG21 VAL 103 -4.541 2.067 -6.875 859 HG22 VAL 103 HG22 VAL 103 -5.008 2.395 -5.206 860 HG23 VAL 103 HG23 VAL 103 -3.823 1.138 -5.560 861 H ASP 104 H ASP 104 -2.722 0.656 -7.874 862 HA ASP 104 HA ASP 104 -2.699 2.144 -10.476 863 HB2 ASP 104 HB3 ASP 104 -1.549 -0.273 -9.625 864 HB3 ASP 104 HB2 ASP 104 -2.926 -0.753 -10.618 865 H VAL 105 H VAL 105 -4.754 2.773 -11.015 866 HA VAL 105 HA VAL 105 -7.058 1.071 -10.168 867 HB VAL 105 HB VAL 105 -7.111 3.863 -11.332 868 HG11 VAL 105 HG11 VAL 105 -9.257 3.990 -10.417 869 HG12 VAL 105 HG12 VAL 105 -8.928 2.737 -9.219 870 HG13 VAL 105 HG13 VAL 105 -9.179 2.297 -10.909 871 HG21 VAL 105 HG21 VAL 105 -5.818 4.442 -9.538 872 HG22 VAL 105 HG22 VAL 105 -6.148 2.931 -8.690 873 HG23 VAL 105 HG23 VAL 105 -7.323 4.246 -8.637 874 HA PRO 106 HA PRO 106 -7.268 -0.329 -14.380 875 HB2 PRO 106 HB3 PRO 106 -9.863 -1.319 -14.184 876 HB3 PRO 106 HB2 PRO 106 -8.402 -2.211 -13.727 877 HG2 PRO 106 HG3 PRO 106 -10.360 -0.788 -12.020 878 HG3 PRO 106 HG2 PRO 106 -9.413 -2.245 -11.686 879 HD2 PRO 106 HD3 PRO 106 -8.820 0.195 -10.642 880 HD3 PRO 106 HD2 PRO 106 -7.599 -1.056 -10.955 881 H GLY 107 H GLY 107 -7.760 0.962 -16.114 882 HA2 GLY 107 HA3 GLY 107 -9.151 2.257 -17.546 883 HA3 GLY 107 HA2 GLY 107 -10.376 2.299 -16.277 884 H GLU 108 H GLU 108 -8.083 3.137 -14.374 885 HA GLU 108 HA GLU 108 -8.070 6.026 -15.187 886 HB2 GLU 108 HB3 GLU 108 -8.626 4.535 -12.666 887 HB3 GLU 108 HB2 GLU 108 -7.788 6.078 -12.504 888 HG2 GLU 108 HG3 GLU 108 -9.562 7.288 -13.446 889 HG3 GLU 108 HG2 GLU 108 -10.239 5.864 -14.236 890 H LYS 109 H LYS 109 -6.190 7.236 -14.107 891 HA LYS 109 HA LYS 109 -3.691 5.766 -14.629 892 HB2 LYS 109 HB3 LYS 109 -4.159 8.608 -13.674 893 HB3 LYS 109 HB2 LYS 109 -2.718 7.983 -14.474 894 HG2 LYS 109 HG3 LYS 109 -5.038 7.397 -16.081 895 HG3 LYS 109 HG2 LYS 109 -5.001 9.120 -15.701 896 HD2 LYS 109 HD3 LYS 109 -2.334 8.336 -16.316 897 HD3 LYS 109 HD2 LYS 109 -3.377 7.677 -17.577 898 HE2 LYS 109 HE3 LYS 109 -3.984 9.762 -18.350 899 HE3 LYS 109 HE2 LYS 109 -3.904 10.494 -16.735 900 HZ1 LYS 109 HZ1 LYS 109 -2.024 10.985 -18.426 901 HZ2 LYS 109 HZ2 LYS 109 -1.460 9.441 -17.996 902 HZ3 LYS 109 HZ3 LYS 109 -1.620 10.650 -16.813 903 H ARG 110 H ARG 110 -2.169 5.222 -13.035 904 HA ARG 110 HA ARG 110 -3.068 4.782 -10.345 905 HB2 ARG 110 HB3 ARG 110 -0.580 4.283 -10.049 906 HB3 ARG 110 HB2 ARG 110 -1.377 3.395 -11.349 907 HG2 ARG 110 HG3 ARG 110 -0.272 4.545 -13.000 908 HG3 ARG 110 HG2 ARG 110 -0.208 6.037 -12.060 909 HD2 ARG 110 HD3 ARG 110 1.852 5.534 -11.250 910 HD3 ARG 110 HD2 ARG 110 1.352 3.884 -10.826 911 HE ARG 110 HE ARG 110 2.203 3.160 -12.906 912 HH11 ARG 110 HH11 ARG 110 1.618 6.564 -12.879 913 HH12 ARG 110 HH12 ARG 110 2.301 6.824 -14.449 914 HH21 ARG 110 HH21 ARG 110 3.101 3.489 -14.952 915 HH22 ARG 110 HH22 ARG 110 3.140 5.086 -15.621 916 H TYR 111 H TYR 111 -2.671 5.984 -8.467 917 HA TYR 111 HA TYR 111 -1.508 8.718 -8.884 918 HB2 TYR 111 HB3 TYR 111 -3.926 8.551 -8.317 919 HB3 TYR 111 HB2 TYR 111 -3.500 7.690 -6.838 920 HD1 TYR 111 HD1 TYR 111 -3.728 10.929 -8.471 921 HD2 TYR 111 HD2 TYR 111 -2.126 8.841 -5.076 922 HE1 TYR 111 HE1 TYR 111 -3.371 13.091 -7.311 923 HE2 TYR 111 HE2 TYR 111 -1.769 11.004 -3.916 924 HH TYR 111 HH TYR 111 -2.901 13.398 -4.107 925 H TYR 112 H TYR 112 0.286 9.234 -7.679 926 HA TYR 112 HA TYR 112 1.469 7.188 -5.932 927 HB2 TYR 112 HB3 TYR 112 2.251 9.936 -6.935 928 HB3 TYR 112 HB2 TYR 112 3.279 9.001 -5.849 929 HD1 TYR 112 HD1 TYR 112 1.792 9.153 -9.227 930 HD2 TYR 112 HD2 TYR 112 4.405 6.987 -6.597 931 HE1 TYR 112 HE1 TYR 112 2.660 7.859 -11.156 932 HE2 TYR 112 HE2 TYR 112 5.273 5.691 -8.525 933 HH TYR 112 HH TYR 112 4.783 5.109 -10.718 934 H LEU 113 H LEU 113 1.383 7.218 -3.706 935 HA LEU 113 HA LEU 113 -0.192 9.328 -2.371 936 HB2 LEU 113 HB3 LEU 113 0.339 6.565 -2.064 937 HB3 LEU 113 HB2 LEU 113 1.023 7.352 -0.641 938 HG LEU 113 HG LEU 113 -1.418 8.640 -0.986 939 HD11 LEU 113 HD11 LEU 113 -1.690 6.476 -2.578 940 HD12 LEU 113 HD12 LEU 113 -3.033 7.153 -1.657 941 HD13 LEU 113 HD13 LEU 113 -2.154 5.757 -1.036 942 HD21 LEU 113 HD21 LEU 113 -0.078 7.449 1.025 943 HD22 LEU 113 HD22 LEU 113 -1.318 6.224 0.761 944 HD23 LEU 113 HD23 LEU 113 -1.782 7.877 1.160 945 H ILE 114 H ILE 114 3.136 8.048 -2.339 946 HA ILE 114 HA ILE 114 3.953 10.355 -0.608 947 HB ILE 114 HB ILE 114 5.140 7.624 -1.185 948 HG12 ILE 114 HG13 ILE 114 4.101 8.929 1.353 949 HG13 ILE 114 HG12 ILE 114 3.257 7.695 0.417 950 HG21 ILE 114 HG21 ILE 114 6.257 9.766 0.645 951 HG22 ILE 114 HG22 ILE 114 6.868 9.464 -0.981 952 HG23 ILE 114 HG23 ILE 114 6.987 8.209 0.252 953 HD11 ILE 114 HD11 ILE 114 4.930 6.052 0.902 954 HD12 ILE 114 HD12 ILE 114 4.557 6.839 2.435 955 HD13 ILE 114 HD13 ILE 114 6.027 7.267 1.559 956 H LYS 115 H LYS 115 5.850 8.350 -2.853 957 HA LYS 115 HA LYS 115 7.191 8.962 -4.701 958 HB2 LYS 115 HB3 LYS 115 4.813 9.913 -5.218 959 HB3 LYS 115 HB2 LYS 115 5.533 11.476 -4.834 960 HG2 LYS 115 HG3 LYS 115 7.358 10.943 -6.502 961 HG3 LYS 115 HG2 LYS 115 6.412 9.536 -6.986 962 HD2 LYS 115 HD3 LYS 115 5.938 11.440 -8.470 963 HD3 LYS 115 HD2 LYS 115 4.505 11.014 -7.535 964 HE2 LYS 115 HE3 LYS 115 4.430 13.109 -6.685 965 HE3 LYS 115 HE2 LYS 115 6.066 12.911 -6.028 966 HZ1 LYS 115 HZ1 LYS 115 5.630 14.670 -7.878 967 HZ2 LYS 115 HZ2 LYS 115 5.711 13.327 -8.917 968 HZ3 LYS 115 HZ3 LYS 115 7.035 13.723 -7.928 Start of MODEL 7 1 H1 GLY 1 H GLY 1 3.105 -11.412 15.256 2 HA2 GLY 1 HA3 GLY 1 4.258 -12.129 12.652 3 HA3 GLY 1 HA2 GLY 1 2.496 -12.061 12.681 4 H SER 2 H SER 2 5.219 -10.235 12.097 5 HA SER 2 HA SER 2 3.878 -7.672 12.867 6 HB2 SER 2 HB3 SER 2 6.314 -8.484 13.514 7 HB3 SER 2 HB2 SER 2 6.706 -7.924 11.891 8 HG SER 2 HG SER 2 6.303 -6.499 14.119 9 H ASP 3 H ASP 3 4.614 -9.685 10.193 10 HA ASP 3 HA ASP 3 4.886 -7.611 8.165 11 HB2 ASP 3 HB3 ASP 3 4.080 -10.526 7.916 12 HB3 ASP 3 HB2 ASP 3 4.809 -9.522 6.662 13 H THR 4 H THR 4 2.222 -9.625 9.393 14 HA THR 4 HA THR 4 0.236 -8.936 7.479 15 HB THR 4 HB THR 4 -0.016 -9.517 10.449 16 HG1 THR 4 HG1 THR 4 0.010 -11.628 9.848 17 HG21 THR 4 HG21 THR 4 -2.244 -9.562 10.139 18 HG22 THR 4 HG22 THR 4 -2.076 -10.585 8.712 19 HG23 THR 4 HG23 THR 4 -1.971 -8.831 8.557 20 H GLN 5 H GLN 5 0.890 -7.451 10.682 21 HA GLN 5 HA GLN 5 -1.041 -5.339 10.391 22 HB2 GLN 5 HB3 GLN 5 1.479 -5.656 12.054 23 HB3 GLN 5 HB2 GLN 5 0.283 -4.384 12.308 24 HG2 GLN 5 HG3 GLN 5 -1.462 -6.151 12.617 25 HG3 GLN 5 HG2 GLN 5 -0.193 -7.371 12.506 26 HE21 GLN 5 HE21 GLN 5 -0.718 -7.974 14.790 27 HE22 GLN 5 HE22 GLN 5 -0.134 -7.016 16.064 28 H LEU 6 H LEU 6 2.350 -5.667 9.458 29 HA LEU 6 HA LEU 6 3.031 -2.963 8.981 30 HB2 LEU 6 HB3 LEU 6 4.501 -5.002 8.906 31 HB3 LEU 6 HB2 LEU 6 3.769 -5.420 7.357 32 HG LEU 6 HG LEU 6 4.607 -2.666 7.303 33 HD11 LEU 6 HD11 LEU 6 6.283 -4.303 8.907 34 HD12 LEU 6 HD12 LEU 6 6.614 -2.674 8.317 35 HD13 LEU 6 HD13 LEU 6 7.114 -4.076 7.368 36 HD21 LEU 6 HD21 LEU 6 6.054 -3.641 5.427 37 HD22 LEU 6 HD22 LEU 6 4.318 -3.912 5.281 38 HD23 LEU 6 HD23 LEU 6 5.368 -5.210 5.849 39 H PHE 7 H PHE 7 1.341 -5.299 6.886 40 HA PHE 7 HA PHE 7 1.086 -3.433 4.662 41 HB2 PHE 7 HB3 PHE 7 0.844 -5.489 3.737 42 HB3 PHE 7 HB2 PHE 7 0.623 -6.219 5.323 43 HD1 PHE 7 HD1 PHE 7 -1.340 -7.427 5.573 44 HD2 PHE 7 HD2 PHE 7 -1.344 -3.941 3.062 45 HE1 PHE 7 HE1 PHE 7 -3.742 -7.789 5.074 46 HE2 PHE 7 HE2 PHE 7 -3.747 -4.304 2.563 47 HZ PHE 7 HZ PHE 7 -4.947 -6.227 3.570 48 H ASN 8 H ASN 8 -0.918 -4.414 7.409 49 HA ASN 8 HA ASN 8 -3.425 -3.376 6.623 50 HB2 ASN 8 HB3 ASN 8 -1.973 -4.088 9.082 51 HB3 ASN 8 HB2 ASN 8 -3.253 -2.900 9.332 52 HD21 ASN 8 HD21 ASN 8 -2.922 -6.056 9.716 53 HD22 ASN 8 HD22 ASN 8 -4.408 -6.634 9.135 54 H ARG 9 H ARG 9 -0.841 -1.688 8.473 55 HA ARG 9 HA ARG 9 -2.170 0.831 8.608 56 HB2 ARG 9 HB3 ARG 9 0.240 1.635 8.936 57 HB3 ARG 9 HB2 ARG 9 -0.321 0.379 10.036 58 HG2 ARG 9 HG3 ARG 9 1.075 -1.204 9.157 59 HG3 ARG 9 HG2 ARG 9 0.926 -0.574 7.518 60 HD2 ARG 9 HD3 ARG 9 2.471 0.866 9.696 61 HD3 ARG 9 HD2 ARG 9 3.227 -0.244 8.538 62 HE ARG 9 HE ARG 9 2.144 2.410 7.913 63 HH11 ARG 9 HH11 ARG 9 2.996 -0.741 6.773 64 HH12 ARG 9 HH12 ARG 9 3.201 -0.229 5.134 65 HH21 ARG 9 HH21 ARG 9 2.414 3.082 5.780 66 HH22 ARG 9 HH22 ARG 9 2.871 1.930 4.571 67 H ALA 10 H ALA 10 -0.190 -0.627 6.064 68 HA ALA 10 HA ALA 10 0.173 1.799 4.518 69 HB1 ALA 10 HB1 ALA 10 1.682 0.052 4.075 70 HB2 ALA 10 HB2 ALA 10 0.563 -0.085 2.720 71 HB3 ALA 10 HB3 ALA 10 0.414 -1.174 4.099 72 H VAL 11 H VAL 11 -2.061 -0.976 4.249 73 HA VAL 11 HA VAL 11 -3.558 0.070 2.034 74 HB VAL 11 HB VAL 11 -3.246 -2.294 3.320 75 HG11 VAL 11 HG11 VAL 11 -5.917 -1.206 4.250 76 HG12 VAL 11 HG12 VAL 11 -4.565 -1.692 5.272 77 HG13 VAL 11 HG13 VAL 11 -5.442 -2.903 4.337 78 HG21 VAL 11 HG21 VAL 11 -5.762 -2.529 2.092 79 HG22 VAL 11 HG22 VAL 11 -4.187 -2.800 1.348 80 HG23 VAL 11 HG23 VAL 11 -4.946 -1.213 1.249 81 H SER 12 H SER 12 -3.860 0.355 5.548 82 HA SER 12 HA SER 12 -6.492 1.413 5.731 83 HB2 SER 12 HB3 SER 12 -3.935 1.605 7.295 84 HB3 SER 12 HB2 SER 12 -5.316 2.582 7.786 85 HG SER 12 HG SER 12 -4.929 -0.162 7.868 86 H MET 13 H MET 13 -3.378 3.163 5.453 87 HA MET 13 HA MET 13 -4.551 5.784 5.280 88 HB2 MET 13 HB3 MET 13 -2.254 6.359 4.470 89 HB3 MET 13 HB2 MET 13 -2.224 5.345 5.913 90 HG2 MET 13 HG3 MET 13 -1.711 3.386 4.640 91 HG3 MET 13 HG2 MET 13 -2.065 4.201 3.116 92 HE1 MET 13 HE1 MET 13 1.204 4.962 1.894 93 HE2 MET 13 HE2 MET 13 -0.360 5.768 1.818 94 HE3 MET 13 HE3 MET 13 -0.282 4.009 1.787 95 H VAL 14 H VAL 14 -3.792 3.304 2.887 96 HA VAL 14 HA VAL 14 -4.131 5.004 0.559 97 HB VAL 14 HB VAL 14 -4.109 2.023 1.088 98 HG11 VAL 14 HG11 VAL 14 -4.158 3.467 -1.580 99 HG12 VAL 14 HG12 VAL 14 -5.468 2.486 -0.920 100 HG13 VAL 14 HG13 VAL 14 -3.935 1.732 -1.354 101 HG21 VAL 14 HG21 VAL 14 -1.871 2.246 0.919 102 HG22 VAL 14 HG22 VAL 14 -2.100 3.996 0.915 103 HG23 VAL 14 HG23 VAL 14 -2.029 3.111 -0.610 104 H GLU 15 H GLU 15 -6.272 2.807 2.374 105 HA GLU 15 HA GLU 15 -8.476 3.071 0.482 106 HB2 GLU 15 HB3 GLU 15 -9.622 1.679 2.081 107 HB3 GLU 15 HB2 GLU 15 -7.947 1.129 2.024 108 HG2 GLU 15 HG3 GLU 15 -7.409 2.294 4.057 109 HG3 GLU 15 HG2 GLU 15 -8.963 3.128 4.058 110 H LYS 16 H LYS 16 -7.422 4.818 3.353 111 HA LYS 16 HA LYS 16 -10.030 6.228 3.545 112 HB2 LYS 16 HB3 LYS 16 -9.149 7.036 5.636 113 HB3 LYS 16 HB2 LYS 16 -8.707 5.333 5.519 114 HG2 LYS 16 HG3 LYS 16 -6.512 5.830 5.579 115 HG3 LYS 16 HG2 LYS 16 -6.685 7.007 4.279 116 HD2 LYS 16 HD3 LYS 16 -7.219 7.480 7.225 117 HD3 LYS 16 HD2 LYS 16 -5.888 8.146 6.280 118 HE2 LYS 16 HE3 LYS 16 -8.418 8.732 4.986 119 HE3 LYS 16 HE2 LYS 16 -8.414 9.329 6.657 120 HZ1 LYS 16 HZ1 LYS 16 -6.572 9.971 4.455 121 HZ2 LYS 16 HZ2 LYS 16 -6.002 10.028 6.055 122 HZ3 LYS 16 HZ3 LYS 16 -7.302 11.011 5.577 123 H ASN 17 H ASN 17 -6.897 6.649 2.155 124 HA ASN 17 HA ASN 17 -6.429 9.401 2.208 125 HB2 ASN 17 HB3 ASN 17 -4.922 7.844 1.163 126 HB3 ASN 17 HB2 ASN 17 -6.157 7.333 0.011 127 HD21 ASN 17 HD21 ASN 17 -3.508 9.413 0.381 128 HD22 ASN 17 HD22 ASN 17 -3.837 10.467 -0.909 129 H LYS 18 H LYS 18 -7.634 11.133 1.548 130 HA LYS 18 HA LYS 18 -10.213 10.867 0.320 131 HB2 LYS 18 HB3 LYS 18 -10.216 13.254 0.456 132 HB3 LYS 18 HB2 LYS 18 -9.246 12.705 1.822 133 HG2 LYS 18 HG3 LYS 18 -7.190 13.028 0.425 134 HG3 LYS 18 HG2 LYS 18 -8.208 13.721 -0.838 135 HD2 LYS 18 HD3 LYS 18 -9.039 15.386 0.883 136 HD3 LYS 18 HD2 LYS 18 -7.778 14.789 1.961 137 HE2 LYS 18 HE3 LYS 18 -6.064 15.711 0.692 138 HE3 LYS 18 HE2 LYS 18 -6.995 15.617 -0.817 139 HZ1 LYS 18 HZ1 LYS 18 -8.577 17.232 0.320 140 HZ2 LYS 18 HZ2 LYS 18 -7.096 17.862 -0.221 141 HZ3 LYS 18 HZ3 LYS 18 -7.325 17.518 1.427 142 H ASP 19 H ASP 19 -7.001 11.636 -1.016 143 HA ASP 19 HA ASP 19 -7.815 12.460 -3.616 144 HB2 ASP 19 HB3 ASP 19 -5.396 11.357 -2.280 145 HB3 ASP 19 HB2 ASP 19 -5.427 11.256 -4.042 146 H ILE 20 H ILE 20 -6.941 9.191 -2.425 147 HA ILE 20 HA ILE 20 -7.414 7.815 -4.885 148 HB ILE 20 HB ILE 20 -7.702 6.891 -2.004 149 HG12 ILE 20 HG13 ILE 20 -5.521 7.863 -2.289 150 HG13 ILE 20 HG12 ILE 20 -5.312 6.116 -2.411 151 HG21 ILE 20 HG21 ILE 20 -8.634 5.259 -3.535 152 HG22 ILE 20 HG22 ILE 20 -7.056 4.675 -3.007 153 HG23 ILE 20 HG23 ILE 20 -7.238 5.401 -4.604 154 HD11 ILE 20 HD11 ILE 20 -4.071 7.113 -4.222 155 HD12 ILE 20 HD12 ILE 20 -5.452 8.103 -4.691 156 HD13 ILE 20 HD13 ILE 20 -5.501 6.355 -4.918 157 H ARG 21 H ARG 21 -9.556 8.717 -2.200 158 HA ARG 21 HA ARG 21 -11.855 7.217 -2.842 159 HB2 ARG 21 HB3 ARG 21 -11.735 8.513 -0.832 160 HB3 ARG 21 HB2 ARG 21 -11.420 9.999 -1.730 161 HG2 ARG 21 HG3 ARG 21 -13.919 8.606 -2.471 162 HG3 ARG 21 HG2 ARG 21 -13.891 9.263 -0.834 163 HD2 ARG 21 HD3 ARG 21 -13.676 11.469 -1.578 164 HD3 ARG 21 HD2 ARG 21 -12.948 10.980 -3.122 165 HE ARG 21 HE ARG 21 -15.127 10.693 -3.982 166 HH11 ARG 21 HH11 ARG 21 -15.101 10.656 -0.528 167 HH12 ARG 21 HH12 ARG 21 -16.824 10.570 -0.388 168 HH21 ARG 21 HH21 ARG 21 -17.374 10.584 -3.811 169 HH22 ARG 21 HH22 ARG 21 -18.110 10.527 -2.244 170 H SER 22 H SER 22 -10.596 10.182 -4.317 171 HA SER 22 HA SER 22 -12.882 10.864 -5.901 172 HB2 SER 22 HB3 SER 22 -9.899 11.257 -6.305 173 HB3 SER 22 HB2 SER 22 -11.142 12.096 -7.228 174 HG SER 22 HG SER 22 -10.407 12.343 -4.536 175 H LEU 23 H LEU 23 -10.094 8.739 -6.521 176 HA LEU 23 HA LEU 23 -10.853 8.092 -9.251 177 HB2 LEU 23 HB3 LEU 23 -9.114 6.573 -7.279 178 HB3 LEU 23 HB2 LEU 23 -9.035 6.485 -9.039 179 HG LEU 23 HG LEU 23 -8.507 8.986 -7.409 180 HD11 LEU 23 HD11 LEU 23 -6.446 7.470 -8.988 181 HD12 LEU 23 HD12 LEU 23 -6.833 6.966 -7.342 182 HD13 LEU 23 HD13 LEU 23 -6.214 8.590 -7.646 183 HD21 LEU 23 HD21 LEU 23 -9.124 9.817 -9.477 184 HD22 LEU 23 HD22 LEU 23 -8.667 8.339 -10.323 185 HD23 LEU 23 HD23 LEU 23 -7.425 9.479 -9.805 186 H LEU 24 H LEU 24 -11.203 6.481 -6.095 187 HA LEU 24 HA LEU 24 -12.702 4.228 -7.234 188 HB2 LEU 24 HB3 LEU 24 -11.649 5.153 -4.594 189 HB3 LEU 24 HB2 LEU 24 -12.969 3.986 -4.574 190 HG LEU 24 HG LEU 24 -10.551 3.062 -4.602 191 HD11 LEU 24 HD11 LEU 24 -11.405 1.445 -6.607 192 HD12 LEU 24 HD12 LEU 24 -12.919 2.248 -6.191 193 HD13 LEU 24 HD13 LEU 24 -12.026 1.355 -4.959 194 HD21 LEU 24 HD21 LEU 24 -9.522 2.892 -6.814 195 HD22 LEU 24 HD22 LEU 24 -9.780 4.593 -6.426 196 HD23 LEU 24 HD23 LEU 24 -10.871 3.768 -7.538 197 H GLN 25 H GLN 25 -13.458 7.406 -6.265 198 HA GLN 25 HA GLN 25 -15.510 8.502 -5.847 199 HB2 GLN 25 HB3 GLN 25 -16.590 6.058 -7.280 200 HB3 GLN 25 HB2 GLN 25 -17.292 7.677 -7.258 201 HG2 GLN 25 HG3 GLN 25 -15.271 8.549 -8.408 202 HG3 GLN 25 HG2 GLN 25 -14.625 6.909 -8.480 203 HE21 GLN 25 HE21 GLN 25 -15.429 5.509 -10.117 204 HE22 GLN 25 HE22 GLN 25 -16.612 5.972 -11.244 205 H CYS 26 H CYS 26 -14.554 6.620 -3.785 206 HA CYS 26 HA CYS 26 -16.928 5.183 -2.803 207 HB2 CYS 26 HB3 CYS 26 -14.083 5.655 -1.918 208 HB3 CYS 26 HB2 CYS 26 -15.241 4.882 -0.836 209 HG CYS 26 HG CYS 26 -15.228 2.824 -2.252 210 H ASP 27 H ASP 27 -17.108 5.627 -0.179 211 HA ASP 27 HA ASP 27 -17.764 8.541 0.037 212 HB2 ASP 27 HB3 ASP 27 -18.934 5.965 0.999 213 HB3 ASP 27 HB2 ASP 27 -19.150 7.385 2.022 214 H ASP 28 H ASP 28 -17.680 9.267 2.464 215 HA ASP 28 HA ASP 28 -15.919 7.991 4.328 216 HB2 ASP 28 HB3 ASP 28 -14.632 8.952 2.071 217 HB3 ASP 28 HB2 ASP 28 -14.408 10.261 3.232 218 H GLY 29 H GLY 29 -17.713 8.897 5.616 219 HA2 GLY 29 HA3 GLY 29 -17.210 11.750 6.321 220 HA3 GLY 29 HA2 GLY 29 -18.864 11.210 6.026 221 H ILE 30 H ILE 30 -17.934 12.272 8.525 222 HA ILE 30 HA ILE 30 -17.227 10.335 10.475 223 HB ILE 30 HB ILE 30 -17.280 12.828 10.700 224 HG12 ILE 30 HG13 ILE 30 -18.918 12.423 12.960 225 HG13 ILE 30 HG12 ILE 30 -18.174 10.858 12.629 226 HG21 ILE 30 HG21 ILE 30 -19.677 12.808 9.601 227 HG22 ILE 30 HG22 ILE 30 -19.271 14.034 10.802 228 HG23 ILE 30 HG23 ILE 30 -20.221 12.623 11.268 229 HD11 ILE 30 HD11 ILE 30 -16.050 11.620 13.058 230 HD12 ILE 30 HD12 ILE 30 -16.932 12.763 14.070 231 HD13 ILE 30 HD13 ILE 30 -16.399 13.242 12.459 232 H THR 31 H THR 31 -20.211 10.818 8.766 233 HA THR 31 HA THR 31 -21.860 9.382 10.750 234 HB THR 31 HB THR 31 -23.646 10.053 9.384 235 HG1 THR 31 HG1 THR 31 -22.923 10.709 7.088 236 HG21 THR 31 HG21 THR 31 -22.138 11.988 10.147 237 HG22 THR 31 HG22 THR 31 -23.283 12.334 8.852 238 HG23 THR 31 HG23 THR 31 -21.582 12.056 8.475 239 H GLY 32 H GLY 32 -19.996 8.690 7.895 240 HA2 GLY 32 HA3 GLY 32 -20.226 5.853 8.246 241 HA3 GLY 32 HA2 GLY 32 -21.264 6.378 6.918 242 H LYS 33 H LYS 33 -18.223 5.251 7.575 243 HA LYS 33 HA LYS 33 -16.989 6.731 5.279 244 HB2 LYS 33 HB3 LYS 33 -15.974 5.384 7.776 245 HB3 LYS 33 HB2 LYS 33 -14.886 5.665 6.416 246 HG2 LYS 33 HG3 LYS 33 -14.801 7.901 6.794 247 HG3 LYS 33 HG2 LYS 33 -16.532 8.000 7.115 248 HD2 LYS 33 HD3 LYS 33 -15.519 8.529 9.191 249 HD3 LYS 33 HD2 LYS 33 -16.004 6.841 9.355 250 HE2 LYS 33 HE3 LYS 33 -13.716 6.109 8.787 251 HE3 LYS 33 HE2 LYS 33 -13.219 7.803 8.602 252 HZ1 LYS 33 HZ1 LYS 33 -14.510 6.758 11.059 253 HZ2 LYS 33 HZ2 LYS 33 -13.736 8.256 10.847 254 HZ3 LYS 33 HZ3 LYS 33 -12.827 6.821 10.867 255 H GLU 34 H GLU 34 -16.074 5.521 3.576 256 HA GLU 34 HA GLU 34 -17.176 2.882 3.080 257 HB2 GLU 34 HB3 GLU 34 -16.732 4.567 1.337 258 HB3 GLU 34 HB2 GLU 34 -15.009 4.514 1.712 259 HG2 GLU 34 HG3 GLU 34 -14.872 2.907 0.125 260 HG3 GLU 34 HG2 GLU 34 -15.640 1.847 1.309 261 H ARG 35 H ARG 35 -16.107 0.882 3.208 262 HA ARG 35 HA ARG 35 -13.382 0.923 4.466 263 HB2 ARG 35 HB3 ARG 35 -15.794 -0.012 5.459 264 HB3 ARG 35 HB2 ARG 35 -15.038 -1.476 4.829 265 HG2 ARG 35 HG3 ARG 35 -13.223 0.303 6.335 266 HG3 ARG 35 HG2 ARG 35 -14.509 -0.426 7.297 267 HD2 ARG 35 HD3 ARG 35 -13.787 -2.636 6.011 268 HD3 ARG 35 HD2 ARG 35 -12.251 -1.760 5.842 269 HE ARG 35 HE ARG 35 -11.927 -2.082 8.153 270 HH11 ARG 35 HH11 ARG 35 -15.281 -2.175 7.328 271 HH12 ARG 35 HH12 ARG 35 -15.800 -2.517 8.944 272 HH21 ARG 35 HH21 ARG 35 -12.594 -2.526 10.262 273 HH22 ARG 35 HH22 ARG 35 -14.281 -2.717 10.603 274 H LEU 36 H LEU 36 -11.861 0.119 3.097 275 HA LEU 36 HA LEU 36 -12.719 -1.805 0.971 276 HB2 LEU 36 HB3 LEU 36 -10.268 -0.026 1.173 277 HB3 LEU 36 HB2 LEU 36 -10.799 -0.923 -0.251 278 HG LEU 36 HG LEU 36 -12.525 1.155 1.112 279 HD11 LEU 36 HD11 LEU 36 -10.503 1.421 -1.113 280 HD12 LEU 36 HD12 LEU 36 -10.639 2.388 0.356 281 HD13 LEU 36 HD13 LEU 36 -11.841 2.556 -0.925 282 HD21 LEU 36 HD21 LEU 36 -12.782 -0.682 -1.164 283 HD22 LEU 36 HD22 LEU 36 -13.169 0.988 -1.573 284 HD23 LEU 36 HD23 LEU 36 -14.035 0.177 -0.269 285 H LYS 37 H LYS 37 -11.547 -3.749 0.732 286 HA LYS 37 HA LYS 37 -9.664 -4.395 2.974 287 HB2 LYS 37 HB3 LYS 37 -11.742 -5.998 1.466 288 HB3 LYS 37 HB2 LYS 37 -10.544 -6.755 2.516 289 HG2 LYS 37 HG3 LYS 37 -12.128 -6.425 4.125 290 HG3 LYS 37 HG2 LYS 37 -11.461 -4.792 4.158 291 HD2 LYS 37 HD3 LYS 37 -13.500 -4.025 3.592 292 HD3 LYS 37 HD2 LYS 37 -13.291 -4.803 2.022 293 HE2 LYS 37 HE3 LYS 37 -14.181 -6.939 3.049 294 HE3 LYS 37 HE2 LYS 37 -14.583 -5.994 4.497 295 HZ1 LYS 37 HZ1 LYS 37 -15.369 -4.728 2.033 296 HZ2 LYS 37 HZ2 LYS 37 -16.261 -4.972 3.459 297 HZ3 LYS 37 HZ3 LYS 37 -16.156 -6.206 2.297 298 H ALA 38 H ALA 38 -7.680 -5.213 2.406 299 HA ALA 38 HA ALA 38 -7.192 -5.805 -0.496 300 HB1 ALA 38 HB1 ALA 38 -4.844 -4.962 0.114 301 HB2 ALA 38 HB2 ALA 38 -5.552 -4.407 1.630 302 HB3 ALA 38 HB3 ALA 38 -6.122 -3.747 0.098 303 H TYR 39 H TYR 39 -5.345 -7.369 -0.823 304 HA TYR 39 HA TYR 39 -4.897 -9.183 1.515 305 HB2 TYR 39 HB3 TYR 39 -5.609 -10.102 -1.282 306 HB3 TYR 39 HB2 TYR 39 -5.549 -11.078 0.185 307 HD1 TYR 39 HD1 TYR 39 -7.187 -10.556 2.068 308 HD2 TYR 39 HD2 TYR 39 -7.578 -8.935 -1.890 309 HE1 TYR 39 HE1 TYR 39 -9.567 -10.024 2.521 310 HE2 TYR 39 HE2 TYR 39 -9.958 -8.403 -1.437 311 HH TYR 39 HH TYR 39 -11.457 -9.210 1.699 312 H GLY 40 H GLY 40 -2.926 -10.419 1.350 313 HA2 GLY 40 HA3 GLY 40 -0.735 -9.104 0.107 314 HA3 GLY 40 HA2 GLY 40 -0.694 -10.739 0.753 315 H GLU 41 H GLU 41 0.369 -11.809 -0.846 316 HA GLU 41 HA GLU 41 -0.026 -11.368 -3.667 317 HB2 GLU 41 HB3 GLU 41 1.396 -13.396 -3.815 318 HB3 GLU 41 HB2 GLU 41 2.021 -12.256 -2.623 319 HG2 GLU 41 HG3 GLU 41 0.288 -13.773 -1.113 320 HG3 GLU 41 HG2 GLU 41 0.946 -14.966 -2.234 321 H LEU 42 H LEU 42 -0.091 -14.507 -3.917 322 HA LEU 42 HA LEU 42 -1.722 -16.106 -4.485 323 HB2 LEU 42 HB3 LEU 42 -2.197 -16.025 -2.110 324 HB3 LEU 42 HB2 LEU 42 -3.124 -14.537 -2.299 325 HG LEU 42 HG LEU 42 -4.135 -16.561 -4.093 326 HD11 LEU 42 HD11 LEU 42 -4.748 -17.407 -1.334 327 HD12 LEU 42 HD12 LEU 42 -3.098 -17.752 -1.855 328 HD13 LEU 42 HD13 LEU 42 -4.464 -18.384 -2.775 329 HD21 LEU 42 HD21 LEU 42 -6.215 -16.089 -2.665 330 HD22 LEU 42 HD22 LEU 42 -5.493 -14.698 -3.475 331 HD23 LEU 42 HD23 LEU 42 -5.204 -14.966 -1.756 332 H ILE 43 H ILE 43 -3.509 -16.290 -5.923 333 HA ILE 43 HA ILE 43 -4.846 -13.731 -6.718 334 HB ILE 43 HB ILE 43 -4.498 -14.596 -9.099 335 HG12 ILE 43 HG13 ILE 43 -2.375 -16.298 -7.772 336 HG13 ILE 43 HG12 ILE 43 -3.948 -16.942 -8.245 337 HG21 ILE 43 HG21 ILE 43 -1.933 -14.034 -8.942 338 HG22 ILE 43 HG22 ILE 43 -2.311 -13.673 -7.257 339 HG23 ILE 43 HG23 ILE 43 -3.120 -12.790 -8.551 340 HD11 ILE 43 HD11 ILE 43 -2.541 -17.393 -10.100 341 HD12 ILE 43 HD12 ILE 43 -1.786 -15.801 -10.019 342 HD13 ILE 43 HD13 ILE 43 -3.453 -15.961 -10.575 343 H THR 44 H THR 44 -6.387 -14.712 -8.751 344 HA THR 44 HA THR 44 -8.709 -15.691 -7.707 345 HB THR 44 HB THR 44 -8.380 -15.062 -10.045 346 HG1 THR 44 HG1 THR 44 -10.032 -16.654 -9.384 347 HG21 THR 44 HG21 THR 44 -6.104 -16.434 -10.008 348 HG22 THR 44 HG22 THR 44 -6.978 -16.164 -11.515 349 HG23 THR 44 HG23 THR 44 -7.131 -17.705 -10.672 350 H ASN 45 H ASN 45 -5.789 -17.598 -8.245 351 HA ASN 45 HA ASN 45 -6.607 -20.227 -8.267 352 HB2 ASN 45 HB3 ASN 45 -4.373 -18.666 -7.184 353 HB3 ASN 45 HB2 ASN 45 -4.613 -20.194 -6.335 354 HD21 ASN 45 HD21 ASN 45 -5.279 -19.519 -9.794 355 HD22 ASN 45 HD22 ASN 45 -4.164 -20.651 -10.390 356 H ASP 46 H ASP 46 -8.610 -20.593 -7.199 357 HA ASP 46 HA ASP 46 -8.595 -20.297 -4.214 358 HB2 ASP 46 HB3 ASP 46 -10.308 -19.281 -6.082 359 HB3 ASP 46 HB2 ASP 46 -11.114 -20.800 -5.686 360 H LYS 47 H LYS 47 -11.035 -22.029 -4.212 361 HA LYS 47 HA LYS 47 -11.598 -24.314 -4.044 362 HB2 LYS 47 HB3 LYS 47 -9.833 -23.987 -6.312 363 HB3 LYS 47 HB2 LYS 47 -9.525 -25.540 -5.539 364 HG2 LYS 47 HG3 LYS 47 -11.409 -26.362 -6.445 365 HG3 LYS 47 HG2 LYS 47 -12.347 -25.133 -5.594 366 HD2 LYS 47 HD3 LYS 47 -12.855 -24.696 -7.843 367 HD3 LYS 47 HD2 LYS 47 -11.560 -23.548 -7.509 368 HE2 LYS 47 HE3 LYS 47 -10.362 -24.465 -9.197 369 HE3 LYS 47 HE2 LYS 47 -10.328 -25.999 -8.304 370 HZ1 LYS 47 HZ1 LYS 47 -12.369 -25.051 -10.230 371 HZ2 LYS 47 HZ2 LYS 47 -12.689 -26.303 -9.127 372 HZ3 LYS 47 HZ3 LYS 47 -11.461 -26.482 -10.287 373 H TRP 48 H TRP 48 -9.693 -26.504 -4.002 374 HA TRP 48 HA TRP 48 -9.061 -26.963 -1.417 375 HB2 TRP 48 HB3 TRP 48 -7.206 -27.407 -3.775 376 HB3 TRP 48 HB2 TRP 48 -7.182 -28.319 -2.265 377 HD1 TRP 48 HD1 TRP 48 -8.660 -28.366 -5.624 378 HE1 TRP 48 HE1 TRP 48 -10.588 -30.071 -5.759 379 HE3 TRP 48 HE3 TRP 48 -9.363 -29.299 -0.653 380 HZ2 TRP 48 HZ2 TRP 48 -12.215 -31.626 -3.993 381 HZ3 TRP 48 HZ3 TRP 48 -11.107 -30.894 0.092 382 HH2 TRP 48 HH2 TRP 48 -12.531 -32.059 -1.570 383 H THR 49 H THR 49 -6.894 -25.043 -3.555 384 HA THR 49 HA THR 49 -4.860 -24.515 -1.650 385 HB THR 49 HB THR 49 -4.674 -22.368 -3.145 386 HG1 THR 49 HG1 THR 49 -6.053 -22.241 -4.753 387 HG21 THR 49 HG21 THR 49 -3.128 -23.784 -3.973 388 HG22 THR 49 HG22 THR 49 -4.350 -24.295 -5.137 389 HG23 THR 49 HG23 THR 49 -4.138 -25.188 -3.632 390 H ARG 50 H ARG 50 -4.568 -22.799 -0.155 391 HA ARG 50 HA ARG 50 -7.048 -21.246 0.525 392 HB2 ARG 50 HB3 ARG 50 -5.075 -22.842 2.078 393 HB3 ARG 50 HB2 ARG 50 -5.637 -21.353 2.839 394 HG2 ARG 50 HG3 ARG 50 -7.982 -22.068 2.487 395 HG3 ARG 50 HG2 ARG 50 -7.407 -23.571 1.768 396 HD2 ARG 50 HD3 ARG 50 -6.059 -23.288 4.264 397 HD3 ARG 50 HD2 ARG 50 -7.781 -22.978 4.551 398 HE ARG 50 HE ARG 50 -8.275 -25.196 3.846 399 HH11 ARG 50 HH11 ARG 50 -4.991 -24.307 3.210 400 HH12 ARG 50 HH12 ARG 50 -4.510 -25.911 2.783 401 HH21 ARG 50 HH21 ARG 50 -7.648 -27.284 3.280 402 HH22 ARG 50 HH22 ARG 50 -6.007 -27.592 2.823 403 H ASN 51 H ASN 51 -6.080 -19.392 2.227 404 HA ASN 51 HA ASN 51 -4.592 -17.574 0.521 405 HB2 ASN 51 HB3 ASN 51 -6.354 -17.358 2.578 406 HB3 ASN 51 HB2 ASN 51 -4.840 -17.076 3.440 407 HD21 ASN 51 HD21 ASN 51 -4.222 -14.917 3.454 408 HD22 ASN 51 HD22 ASN 51 -4.607 -13.781 2.254 409 H ARG 52 H ARG 52 -2.398 -17.140 0.551 410 HA ARG 52 HA ARG 52 -0.677 -18.899 2.200 411 HB2 ARG 52 HB3 ARG 52 0.093 -16.831 0.124 412 HB3 ARG 52 HB2 ARG 52 1.015 -18.248 0.628 413 HG2 ARG 52 HG3 ARG 52 -1.699 -18.380 -0.717 414 HG3 ARG 52 HG2 ARG 52 -0.163 -18.558 -1.568 415 HD2 ARG 52 HD3 ARG 52 -0.762 -20.283 0.835 416 HD3 ARG 52 HD2 ARG 52 -1.365 -20.732 -0.774 417 HE ARG 52 HE ARG 52 1.434 -20.756 0.059 418 HH11 ARG 52 HH11 ARG 52 -0.809 -20.374 -2.541 419 HH12 ARG 52 HH12 ARG 52 0.323 -20.857 -3.758 420 HH21 ARG 52 HH21 ARG 52 2.918 -21.386 -1.520 421 HH22 ARG 52 HH22 ARG 52 2.432 -21.431 -3.182 422 HA PRO 53 HA PRO 53 0.512 -15.802 5.064 423 HB2 PRO 53 HB3 PRO 53 3.196 -16.303 5.347 424 HB3 PRO 53 HB2 PRO 53 1.928 -17.321 6.058 425 HG2 PRO 53 HG3 PRO 53 3.576 -17.766 3.636 426 HG3 PRO 53 HG2 PRO 53 2.945 -18.934 4.804 427 HD2 PRO 53 HD3 PRO 53 1.873 -18.499 2.313 428 HD3 PRO 53 HD2 PRO 53 0.970 -19.165 3.692 429 H ILE 54 H ILE 54 1.794 -13.808 5.295 430 HA ILE 54 HA ILE 54 2.411 -12.575 2.691 431 HB ILE 54 HB ILE 54 2.203 -11.649 5.565 432 HG12 ILE 54 HG13 ILE 54 0.085 -12.049 4.411 433 HG13 ILE 54 HG12 ILE 54 0.328 -10.307 4.561 434 HG21 ILE 54 HG21 ILE 54 3.413 -10.317 3.194 435 HG22 ILE 54 HG22 ILE 54 3.752 -10.082 4.909 436 HG23 ILE 54 HG23 ILE 54 2.329 -9.336 4.181 437 HD11 ILE 54 HD11 ILE 54 0.144 -11.937 2.163 438 HD12 ILE 54 HD12 ILE 54 1.623 -10.978 2.186 439 HD13 ILE 54 HD13 ILE 54 0.057 -10.184 2.335 440 H VAL 55 H VAL 55 4.450 -13.072 1.911 441 HA VAL 55 HA VAL 55 6.737 -13.219 3.821 442 HB VAL 55 HB VAL 55 6.627 -13.820 0.852 443 HG11 VAL 55 HG11 VAL 55 8.410 -15.535 2.046 444 HG12 VAL 55 HG12 VAL 55 8.615 -14.074 3.012 445 HG13 VAL 55 HG13 VAL 55 8.854 -14.017 1.266 446 HG21 VAL 55 HG21 VAL 55 6.528 -16.252 1.980 447 HG22 VAL 55 HG22 VAL 55 5.067 -15.355 1.567 448 HG23 VAL 55 HG23 VAL 55 5.669 -15.348 3.225 449 H SER 56 H SER 56 8.570 -11.839 3.539 450 HA SER 56 HA SER 56 8.125 -9.542 1.666 451 HB2 SER 56 HB3 SER 56 9.776 -9.112 4.071 452 HB3 SER 56 HB2 SER 56 8.477 -8.121 3.414 453 HG SER 56 HG SER 56 8.401 -9.843 5.443 454 H THR 57 H THR 57 10.006 -8.698 0.643 455 HA THR 57 HA THR 57 12.281 -10.612 0.535 456 HB THR 57 HB THR 57 12.762 -9.325 -1.571 457 HG1 THR 57 HG1 THR 57 11.615 -7.605 -2.038 458 HG21 THR 57 HG21 THR 57 10.774 -11.189 -1.064 459 HG22 THR 57 HG22 THR 57 11.338 -10.697 -2.662 460 HG23 THR 57 HG23 THR 57 9.923 -9.922 -1.949 461 H LYS 58 H LYS 58 14.416 -9.912 0.956 462 HA LYS 58 HA LYS 58 14.724 -7.106 1.971 463 HB2 LYS 58 HB3 LYS 58 16.299 -8.236 3.661 464 HB3 LYS 58 HB2 LYS 58 14.575 -8.533 3.882 465 HG2 LYS 58 HG3 LYS 58 14.788 -10.742 3.437 466 HG3 LYS 58 HG2 LYS 58 15.841 -10.444 2.054 467 HD2 LYS 58 HD3 LYS 58 17.163 -11.624 3.673 468 HD3 LYS 58 HD2 LYS 58 17.696 -9.943 3.715 469 HE2 LYS 58 HE3 LYS 58 17.299 -10.013 5.953 470 HE3 LYS 58 HE2 LYS 58 15.572 -10.044 5.546 471 HZ1 LYS 58 HZ1 LYS 58 15.596 -12.398 5.437 472 HZ2 LYS 58 HZ2 LYS 58 16.361 -11.983 6.896 473 HZ3 LYS 58 HZ3 LYS 58 17.286 -12.465 5.556 474 H LYS 59 H LYS 59 16.362 -6.064 0.912 475 HA LYS 59 HA LYS 59 18.609 -7.702 -0.211 476 HB2 LYS 59 HB3 LYS 59 16.599 -5.984 -1.499 477 HB3 LYS 59 HB2 LYS 59 18.254 -5.589 -1.962 478 HG2 LYS 59 HG3 LYS 59 18.227 -7.346 -3.367 479 HG3 LYS 59 HG2 LYS 59 18.100 -8.410 -1.964 480 HD2 LYS 59 HD3 LYS 59 15.517 -7.363 -2.327 481 HD3 LYS 59 HD2 LYS 59 16.088 -7.759 -3.949 482 HE2 LYS 59 HE3 LYS 59 16.605 -9.774 -1.802 483 HE3 LYS 59 HE2 LYS 59 14.941 -9.619 -2.400 484 HZ1 LYS 59 HZ1 LYS 59 16.270 -9.471 -4.681 485 HZ2 LYS 59 HZ2 LYS 59 15.738 -10.949 -4.033 486 HZ3 LYS 59 HZ3 LYS 59 17.349 -10.455 -3.818 487 H LEU 60 H LEU 60 20.607 -6.842 0.283 488 HA LEU 60 HA LEU 60 20.663 -4.160 1.604 489 HB2 LEU 60 HB3 LEU 60 22.843 -5.053 2.494 490 HB3 LEU 60 HB2 LEU 60 21.448 -6.035 2.939 491 HG LEU 60 HG LEU 60 22.475 -6.902 0.386 492 HD11 LEU 60 HD11 LEU 60 24.479 -7.370 2.560 493 HD12 LEU 60 HD12 LEU 60 24.549 -5.847 1.674 494 HD13 LEU 60 HD13 LEU 60 24.702 -7.378 0.811 495 HD21 LEU 60 HD21 LEU 60 22.119 -8.981 1.323 496 HD22 LEU 60 HD22 LEU 60 21.149 -8.016 2.436 497 HD23 LEU 60 HD23 LEU 60 22.783 -8.504 2.886 498 H ASP 61 H ASP 61 21.848 -2.512 0.674 499 HA ASP 61 HA ASP 61 23.085 -3.036 -1.974 500 HB2 ASP 61 HB3 ASP 61 21.972 -0.736 -0.431 501 HB3 ASP 61 HB2 ASP 61 23.221 -0.369 -1.622 502 H LYS 62 H LYS 62 25.067 -1.232 -2.184 503 HA LYS 62 HA LYS 62 27.306 -2.361 -0.873 504 HB2 LYS 62 HB3 LYS 62 28.457 -0.356 -1.737 505 HB3 LYS 62 HB2 LYS 62 27.318 -0.975 -2.933 506 HG2 LYS 62 HG3 LYS 62 25.898 0.829 -1.240 507 HG3 LYS 62 HG2 LYS 62 27.391 1.626 -1.740 508 HD2 LYS 62 HD3 LYS 62 26.749 0.672 -4.115 509 HD3 LYS 62 HD2 LYS 62 25.125 0.616 -3.429 510 HE2 LYS 62 HE3 LYS 62 26.807 3.118 -3.207 511 HE3 LYS 62 HE2 LYS 62 25.806 2.804 -4.639 512 HZ1 LYS 62 HZ1 LYS 62 24.013 2.218 -2.903 513 HZ2 LYS 62 HZ2 LYS 62 24.329 3.856 -3.223 514 HZ3 LYS 62 HZ3 LYS 62 24.965 3.122 -1.830 515 H GLU 63 H GLU 63 24.988 -0.046 0.285 516 HA GLU 63 HA GLU 63 26.727 1.028 2.400 517 HB2 GLU 63 HB3 GLU 63 23.813 1.270 1.618 518 HB3 GLU 63 HB2 GLU 63 24.468 2.068 3.049 519 HG2 GLU 63 HG3 GLU 63 26.311 2.897 1.326 520 HG3 GLU 63 HG2 GLU 63 25.022 2.610 0.158 521 H GLY 64 H GLY 64 24.855 -1.786 1.962 522 HA2 GLY 64 HA3 GLY 64 24.595 -3.574 3.505 523 HA3 GLY 64 HA2 GLY 64 25.216 -2.524 4.781 524 H ARG 65 H ARG 65 22.801 -1.017 2.930 525 HA ARG 65 HA ARG 65 20.925 -1.131 5.201 526 HB2 ARG 65 HB3 ARG 65 21.597 0.901 3.778 527 HB3 ARG 65 HB2 ARG 65 20.583 0.210 2.511 528 HG2 ARG 65 HG3 ARG 65 18.618 0.493 3.742 529 HG3 ARG 65 HG2 ARG 65 19.475 0.541 5.285 530 HD2 ARG 65 HD3 ARG 65 18.712 2.805 4.709 531 HD3 ARG 65 HD2 ARG 65 20.482 2.745 4.584 532 HE ARG 65 HE ARG 65 19.348 1.973 2.074 533 HH11 ARG 65 HH11 ARG 65 19.780 4.693 4.159 534 HH12 ARG 65 HH12 ARG 65 19.791 5.844 2.866 535 HH21 ARG 65 HH21 ARG 65 19.356 3.466 0.382 536 HH22 ARG 65 HH22 ARG 65 19.552 5.152 0.730 537 H THR 66 H THR 66 19.344 -2.671 5.295 538 HA THR 66 HA THR 66 18.744 -4.346 2.953 539 HB THR 66 HB THR 66 17.851 -4.239 5.845 540 HG1 THR 66 HG1 THR 66 19.048 -6.209 5.855 541 HG21 THR 66 HG21 THR 66 16.022 -5.388 5.179 542 HG22 THR 66 HG22 THR 66 17.133 -6.722 4.862 543 HG23 THR 66 HG23 THR 66 16.668 -5.633 3.555 544 H HIS 67 H HIS 67 16.991 -4.055 1.622 545 HA HIS 67 HA HIS 67 14.975 -1.979 2.402 546 HB2 HIS 67 HB3 HIS 67 15.938 -3.063 -0.265 547 HB3 HIS 67 HB2 HIS 67 14.635 -1.886 -0.096 548 HD1 HIS 67 HD1 HIS 67 17.888 -1.741 -1.114 549 HD2 HIS 67 HD2 HIS 67 15.945 0.210 2.018 550 HE1 HIS 67 HE1 HIS 67 19.272 0.312 -0.581 551 H HIS 68 H HIS 68 12.777 -2.549 2.360 552 HA HIS 68 HA HIS 68 12.185 -5.438 1.798 553 HB2 HIS 68 HB3 HIS 68 11.323 -3.455 3.883 554 HB3 HIS 68 HB2 HIS 68 10.245 -4.791 3.472 555 HD1 HIS 68 HD1 HIS 68 11.234 -7.247 3.806 556 HD2 HIS 68 HD2 HIS 68 13.531 -4.177 5.445 557 HE1 HIS 68 HE1 HIS 68 12.871 -8.346 5.396 558 H TYR 69 H TYR 69 10.518 -5.866 0.372 559 HA TYR 69 HA TYR 69 8.919 -3.529 -0.630 560 HB2 TYR 69 HB3 TYR 69 9.829 -5.965 -2.187 561 HB3 TYR 69 HB2 TYR 69 9.152 -4.472 -2.837 562 HD1 TYR 69 HD1 TYR 69 10.555 -2.671 -3.414 563 HD2 TYR 69 HD2 TYR 69 12.049 -5.805 -0.885 564 HE1 TYR 69 HE1 TYR 69 12.832 -1.696 -3.550 565 HE2 TYR 69 HE2 TYR 69 14.326 -4.831 -1.021 566 HH TYR 69 HH TYR 69 15.473 -3.122 -3.061 567 H MET 70 H MET 70 6.703 -3.863 -0.659 568 HA MET 70 HA MET 70 5.675 -6.659 -0.438 569 HB2 MET 70 HB3 MET 70 5.989 -4.974 1.717 570 HB3 MET 70 HB2 MET 70 4.321 -4.649 1.243 571 HG2 MET 70 HG3 MET 70 3.699 -6.937 1.479 572 HG3 MET 70 HG2 MET 70 5.382 -7.462 1.561 573 HE1 MET 70 HE1 MET 70 6.664 -7.664 3.048 574 HE2 MET 70 HE2 MET 70 5.958 -8.293 4.534 575 HE3 MET 70 HE3 MET 70 6.847 -6.770 4.564 576 H ARG 71 H ARG 71 3.658 -6.930 -1.460 577 HA ARG 71 HA ARG 71 2.263 -4.492 -2.470 578 HB2 ARG 71 HB3 ARG 71 2.217 -5.552 -4.729 579 HB3 ARG 71 HB2 ARG 71 3.861 -5.213 -4.188 580 HG2 ARG 71 HG3 ARG 71 4.138 -7.540 -3.475 581 HG3 ARG 71 HG2 ARG 71 2.469 -7.896 -3.924 582 HD2 ARG 71 HD3 ARG 71 3.144 -8.324 -6.042 583 HD3 ARG 71 HD2 ARG 71 3.762 -6.666 -6.176 584 HE ARG 71 HE ARG 71 5.927 -7.492 -5.709 585 HH11 ARG 71 HH11 ARG 71 3.465 -9.741 -4.812 586 HH12 ARG 71 HH12 ARG 71 4.583 -10.999 -4.404 587 HH21 ARG 71 HH21 ARG 71 7.393 -9.125 -5.180 588 HH22 ARG 71 HH22 ARG 71 6.803 -10.651 -4.613 589 H PHE 72 H PHE 72 0.024 -4.845 -2.864 590 HA PHE 72 HA PHE 72 -1.114 -7.550 -2.555 591 HB2 PHE 72 HB3 PHE 72 -2.601 -6.442 -0.654 592 HB3 PHE 72 HB2 PHE 72 -1.028 -7.133 -0.266 593 HD1 PHE 72 HD1 PHE 72 -2.959 -4.032 -0.661 594 HD2 PHE 72 HD2 PHE 72 0.923 -5.688 0.136 595 HE1 PHE 72 HE1 PHE 72 -2.184 -1.822 0.157 596 HE2 PHE 72 HE2 PHE 72 1.697 -3.479 0.955 597 HZ PHE 72 HZ PHE 72 0.144 -1.547 0.966 598 H HIS 73 H HIS 73 -3.538 -7.460 -2.866 599 HA HIS 73 HA HIS 73 -4.223 -5.269 -4.777 600 HB2 HIS 73 HB3 HIS 73 -5.911 -7.709 -4.350 601 HB3 HIS 73 HB2 HIS 73 -5.545 -6.857 -5.846 602 HD1 HIS 73 HD1 HIS 73 -4.399 -9.640 -3.686 603 HD2 HIS 73 HD2 HIS 73 -2.922 -7.504 -6.947 604 HE1 HIS 73 HE1 HIS 73 -2.448 -10.976 -4.592 605 H VAL 74 H VAL 74 -6.385 -4.297 -4.616 606 HA VAL 74 HA VAL 74 -7.568 -4.472 -1.860 607 HB VAL 74 HB VAL 74 -7.084 -2.107 -3.697 608 HG11 VAL 74 HG11 VAL 74 -9.201 -2.495 -1.848 609 HG12 VAL 74 HG12 VAL 74 -8.740 -0.994 -2.651 610 HG13 VAL 74 HG13 VAL 74 -8.054 -1.398 -1.078 611 HG21 VAL 74 HG21 VAL 74 -5.304 -1.653 -2.368 612 HG22 VAL 74 HG22 VAL 74 -5.464 -3.310 -1.789 613 HG23 VAL 74 HG23 VAL 74 -6.218 -1.988 -0.899 614 H GLU 75 H GLU 75 -9.824 -4.621 -1.795 615 HA GLU 75 HA GLU 75 -11.236 -4.621 -4.445 616 HB2 GLU 75 HB3 GLU 75 -10.869 -6.626 -2.488 617 HB3 GLU 75 HB2 GLU 75 -12.553 -6.116 -2.346 618 HG2 GLU 75 HG3 GLU 75 -12.892 -6.470 -4.746 619 HG3 GLU 75 HG2 GLU 75 -11.196 -6.914 -4.938 620 H SER 76 H SER 76 -12.709 -2.986 -4.599 621 HA SER 76 HA SER 76 -13.890 -1.888 -2.070 622 HB2 SER 76 HB3 SER 76 -13.865 0.224 -3.153 623 HB3 SER 76 HB2 SER 76 -12.343 -0.520 -3.636 624 HG SER 76 HG SER 76 -14.193 0.392 -5.210 625 H LYS 77 H LYS 77 -16.122 -0.798 -2.615 626 HA LYS 77 HA LYS 77 -17.860 -2.874 -3.720 627 HB2 LYS 77 HB3 LYS 77 -18.344 -0.072 -2.654 628 HB3 LYS 77 HB2 LYS 77 -19.613 -1.250 -2.994 629 HG2 LYS 77 HG3 LYS 77 -17.378 -2.172 -1.260 630 HG3 LYS 77 HG2 LYS 77 -18.489 -0.996 -0.556 631 HD2 LYS 77 HD3 LYS 77 -20.180 -2.785 -1.843 632 HD3 LYS 77 HD2 LYS 77 -18.923 -3.822 -1.168 633 HE2 LYS 77 HE3 LYS 77 -20.559 -1.771 0.369 634 HE3 LYS 77 HE2 LYS 77 -20.683 -3.534 0.511 635 HZ1 LYS 77 HZ1 LYS 77 -19.101 -3.315 2.063 636 HZ2 LYS 77 HZ2 LYS 77 -18.673 -1.748 1.561 637 HZ3 LYS 77 HZ3 LYS 77 -18.031 -3.104 0.764 638 H LYS 78 H LYS 78 -16.306 -0.037 -4.951 639 HA LYS 78 HA LYS 78 -18.233 0.187 -7.214 640 HB2 LYS 78 HB3 LYS 78 -16.210 1.878 -5.850 641 HB3 LYS 78 HB2 LYS 78 -16.375 2.129 -7.588 642 HG2 LYS 78 HG3 LYS 78 -18.392 3.124 -7.357 643 HG3 LYS 78 HG2 LYS 78 -18.960 1.886 -6.236 644 HD2 LYS 78 HD3 LYS 78 -17.158 3.149 -4.658 645 HD3 LYS 78 HD2 LYS 78 -17.668 4.498 -5.673 646 HE2 LYS 78 HE3 LYS 78 -19.584 2.662 -4.189 647 HE3 LYS 78 HE2 LYS 78 -19.095 4.273 -3.629 648 HZ1 LYS 78 HZ1 LYS 78 -21.095 4.490 -4.912 649 HZ2 LYS 78 HZ2 LYS 78 -20.425 3.613 -6.203 650 HZ3 LYS 78 HZ3 LYS 78 -19.816 5.148 -5.809 651 H LYS 79 H LYS 79 -14.997 -0.909 -6.435 652 HA LYS 79 HA LYS 79 -14.696 -2.347 -8.904 653 HB2 LYS 79 HB3 LYS 79 -14.161 0.470 -8.942 654 HB3 LYS 79 HB2 LYS 79 -12.637 -0.388 -9.170 655 HG2 LYS 79 HG3 LYS 79 -13.218 -1.041 -11.250 656 HG3 LYS 79 HG2 LYS 79 -14.792 -1.616 -10.697 657 HD2 LYS 79 HD3 LYS 79 -15.032 0.217 -12.343 658 HD3 LYS 79 HD2 LYS 79 -15.671 0.681 -10.766 659 HE2 LYS 79 HE3 LYS 79 -14.293 2.509 -11.682 660 HE3 LYS 79 HE2 LYS 79 -13.486 1.811 -10.264 661 HZ1 LYS 79 HZ1 LYS 79 -11.950 0.742 -11.534 662 HZ2 LYS 79 HZ2 LYS 79 -12.238 2.065 -12.560 663 HZ3 LYS 79 HZ3 LYS 79 -12.989 0.570 -12.864 664 H ILE 80 H ILE 80 -11.960 -2.444 -9.180 665 HA ILE 80 HA ILE 80 -10.971 -3.143 -6.433 666 HB ILE 80 HB ILE 80 -10.589 -4.578 -9.081 667 HG12 ILE 80 HG13 ILE 80 -11.757 -6.316 -7.274 668 HG13 ILE 80 HG12 ILE 80 -12.543 -4.783 -6.894 669 HG21 ILE 80 HG21 ILE 80 -8.744 -4.560 -7.165 670 HG22 ILE 80 HG22 ILE 80 -9.149 -6.050 -8.018 671 HG23 ILE 80 HG23 ILE 80 -9.833 -5.732 -6.423 672 HD11 ILE 80 HD11 ILE 80 -13.180 -6.500 -9.016 673 HD12 ILE 80 HD12 ILE 80 -12.318 -5.157 -9.767 674 HD13 ILE 80 HD13 ILE 80 -13.755 -4.848 -8.793 675 H ALA 81 H ALA 81 -8.787 -2.618 -6.025 676 HA ALA 81 HA ALA 81 -7.282 -1.302 -8.257 677 HB1 ALA 81 HB1 ALA 81 -7.001 -0.203 -5.519 678 HB2 ALA 81 HB2 ALA 81 -8.582 0.029 -6.265 679 HB3 ALA 81 HB3 ALA 81 -7.133 0.644 -7.059 680 H LEU 82 H LEU 82 -4.941 -1.301 -7.916 681 HA LEU 82 HA LEU 82 -4.032 -3.496 -6.085 682 HB2 LEU 82 HB3 LEU 82 -3.874 -3.354 -8.779 683 HB3 LEU 82 HB2 LEU 82 -2.379 -2.515 -8.365 684 HG LEU 82 HG LEU 82 -2.941 -5.033 -6.884 685 HD11 LEU 82 HD11 LEU 82 -3.231 -5.028 -9.663 686 HD12 LEU 82 HD12 LEU 82 -2.910 -6.438 -8.652 687 HD13 LEU 82 HD13 LEU 82 -1.572 -5.567 -9.402 688 HD21 LEU 82 HD21 LEU 82 -0.560 -3.591 -8.056 689 HD22 LEU 82 HD22 LEU 82 -0.429 -5.253 -7.482 690 HD23 LEU 82 HD23 LEU 82 -0.890 -3.969 -6.365 691 H VAL 83 H VAL 83 -2.417 -2.985 -4.595 692 HA VAL 83 HA VAL 83 -1.359 -0.178 -4.685 693 HB VAL 83 HB VAL 83 -2.041 -2.010 -2.366 694 HG11 VAL 83 HG11 VAL 83 -1.066 -0.524 -0.935 695 HG12 VAL 83 HG12 VAL 83 -1.505 0.868 -1.925 696 HG13 VAL 83 HG13 VAL 83 -0.095 -0.105 -2.346 697 HG21 VAL 83 HG21 VAL 83 -3.296 0.610 -3.235 698 HG22 VAL 83 HG22 VAL 83 -3.862 -0.464 -1.957 699 HG23 VAL 83 HG23 VAL 83 -3.955 -0.975 -3.641 700 H HIS 84 H HIS 84 0.834 0.040 -4.672 701 HA HIS 84 HA HIS 84 2.521 -2.317 -3.895 702 HB2 HIS 84 HB3 HIS 84 2.191 -1.861 -6.403 703 HB3 HIS 84 HB2 HIS 84 3.090 -0.366 -6.143 704 HD1 HIS 84 HD1 HIS 84 3.537 -3.975 -6.665 705 HD2 HIS 84 HD2 HIS 84 5.826 -0.839 -5.146 706 HE1 HIS 84 HE1 HIS 84 5.931 -4.799 -6.605 707 H LEU 85 H LEU 85 4.202 -1.728 -2.488 708 HA LEU 85 HA LEU 85 4.893 1.176 -2.293 709 HB2 LEU 85 HB3 LEU 85 4.525 1.114 0.094 710 HB3 LEU 85 HB2 LEU 85 3.081 0.460 -0.682 711 HG LEU 85 HG LEU 85 4.347 -1.839 -0.416 712 HD11 LEU 85 HD11 LEU 85 6.363 -1.548 0.582 713 HD12 LEU 85 HD12 LEU 85 5.438 -1.361 2.072 714 HD13 LEU 85 HD13 LEU 85 5.940 0.063 1.161 715 HD21 LEU 85 HD21 LEU 85 3.064 -2.244 1.527 716 HD22 LEU 85 HD22 LEU 85 2.211 -0.915 0.740 717 HD23 LEU 85 HD23 LEU 85 3.270 -0.594 2.114 718 H GLU 86 H GLU 86 6.978 1.575 -1.396 719 HA GLU 86 HA GLU 86 8.739 -0.834 -1.073 720 HB2 GLU 86 HB3 GLU 86 8.727 1.176 -3.067 721 HB3 GLU 86 HB2 GLU 86 10.103 1.540 -2.025 722 HG2 GLU 86 HG3 GLU 86 10.640 -0.995 -2.212 723 HG3 GLU 86 HG2 GLU 86 9.552 -0.970 -3.600 724 H ALA 87 H ALA 87 9.845 -0.803 0.875 725 HA ALA 87 HA ALA 87 9.988 1.819 2.329 726 HB1 ALA 87 HB1 ALA 87 9.984 0.010 4.313 727 HB2 ALA 87 HB2 ALA 87 9.147 -0.939 3.085 728 HB3 ALA 87 HB3 ALA 87 8.489 0.614 3.599 729 H LYS 88 H LYS 88 11.868 2.152 3.629 730 HA LYS 88 HA LYS 88 14.187 0.365 2.962 731 HB2 LYS 88 HB3 LYS 88 14.433 2.475 1.859 732 HB3 LYS 88 HB2 LYS 88 13.890 3.361 3.283 733 HG2 LYS 88 HG3 LYS 88 15.930 2.412 4.490 734 HG3 LYS 88 HG2 LYS 88 16.502 1.881 2.908 735 HD2 LYS 88 HD3 LYS 88 17.479 4.054 3.393 736 HD3 LYS 88 HD2 LYS 88 16.291 4.247 2.103 737 HE2 LYS 88 HE3 LYS 88 15.076 5.681 3.367 738 HE3 LYS 88 HE2 LYS 88 15.028 4.521 4.710 739 HZ1 LYS 88 HZ1 LYS 88 17.152 5.204 5.442 740 HZ2 LYS 88 HZ2 LYS 88 16.282 6.636 5.167 741 HZ3 LYS 88 HZ3 LYS 88 17.439 6.112 4.040 742 H GLU 89 H GLU 89 15.547 -0.197 4.711 743 HA GLU 89 HA GLU 89 14.396 0.156 7.398 744 HB2 GLU 89 HB3 GLU 89 15.891 -1.593 7.970 745 HB3 GLU 89 HB2 GLU 89 15.447 -1.946 6.301 746 HG2 GLU 89 HG3 GLU 89 17.743 -2.125 6.121 747 HG3 GLU 89 HG2 GLU 89 17.567 -0.399 5.800 748 H SER 90 H SER 90 15.111 1.662 8.866 749 HA SER 90 HA SER 90 17.212 3.559 8.095 750 HB2 SER 90 HB3 SER 90 15.329 3.184 10.427 751 HB3 SER 90 HB2 SER 90 16.549 4.454 10.428 752 HG SER 90 HG SER 90 15.640 5.170 8.432 753 H LYS 91 H LYS 91 19.186 3.872 9.256 754 HA LYS 91 HA LYS 91 20.759 1.717 9.977 755 HB2 LYS 91 HB3 LYS 91 21.017 4.413 9.900 756 HB3 LYS 91 HB2 LYS 91 21.024 4.165 11.647 757 HG2 LYS 91 HG3 LYS 91 22.694 2.276 10.095 758 HG3 LYS 91 HG2 LYS 91 23.246 3.951 10.091 759 HD2 LYS 91 HD3 LYS 91 22.665 2.252 12.535 760 HD3 LYS 91 HD2 LYS 91 24.252 2.790 11.984 761 HE2 LYS 91 HE3 LYS 91 23.094 5.197 12.147 762 HE3 LYS 91 HE2 LYS 91 22.098 4.351 13.348 763 HZ1 LYS 91 HZ1 LYS 91 25.048 4.103 13.292 764 HZ2 LYS 91 HZ2 LYS 91 23.981 3.689 14.549 765 HZ3 LYS 91 HZ3 LYS 91 24.272 5.322 14.181 766 H GLN 92 H GLN 92 21.413 0.865 12.111 767 HA GLN 92 HA GLN 92 20.955 0.025 14.276 768 HB2 GLN 92 HB3 GLN 92 20.561 2.663 14.376 769 HB3 GLN 92 HB2 GLN 92 18.887 2.164 14.621 770 HG2 GLN 92 HG3 GLN 92 19.445 1.939 16.803 771 HG3 GLN 92 HG2 GLN 92 20.279 0.466 16.303 772 HE21 GLN 92 HE21 GLN 92 22.628 0.572 16.022 773 HE22 GLN 92 HE22 GLN 92 23.529 1.869 16.643 774 H ASN 93 H ASN 93 18.563 -0.146 15.680 775 HA ASN 93 HA ASN 93 16.989 -1.941 13.920 776 HB2 ASN 93 HB3 ASN 93 17.201 -1.403 16.889 777 HB3 ASN 93 HB2 ASN 93 15.946 -2.451 16.227 778 HD21 ASN 93 HD21 ASN 93 19.127 -2.463 17.396 779 HD22 ASN 93 HD22 ASN 93 19.633 -3.938 16.726 780 H TYR 94 H TYR 94 16.863 1.125 13.878 781 HA TYR 94 HA TYR 94 14.471 2.104 15.027 782 HB2 TYR 94 HB3 TYR 94 16.429 2.818 13.013 783 HB3 TYR 94 HB2 TYR 94 14.814 3.307 12.497 784 HD1 TYR 94 HD1 TYR 94 13.678 5.122 13.538 785 HD2 TYR 94 HD2 TYR 94 17.273 3.546 15.283 786 HE1 TYR 94 HE1 TYR 94 13.751 7.034 15.116 787 HE2 TYR 94 HE2 TYR 94 17.344 5.457 16.861 788 HH TYR 94 HH TYR 94 14.931 8.070 16.690 789 H GLN 95 H GLN 95 12.647 2.900 13.288 790 HA GLN 95 HA GLN 95 11.386 0.402 12.348 791 HB2 GLN 95 HB3 GLN 95 9.471 2.000 11.979 792 HB3 GLN 95 HB2 GLN 95 10.097 2.021 13.627 793 HG2 GLN 95 HG3 GLN 95 10.561 4.212 13.443 794 HG3 GLN 95 HG2 GLN 95 11.606 3.886 12.060 795 HE21 GLN 95 HE21 GLN 95 10.963 5.256 10.389 796 HE22 GLN 95 HE22 GLN 95 9.354 5.544 9.935 797 HA PRO 96 HA PRO 96 12.344 0.892 8.095 798 HB2 PRO 96 HB3 PRO 96 9.965 0.073 6.951 799 HB3 PRO 96 HB2 PRO 96 11.185 -1.034 7.607 800 HG2 PRO 96 HG3 PRO 96 8.638 -0.098 8.810 801 HG3 PRO 96 HG2 PRO 96 9.431 -1.677 8.925 802 HD2 PRO 96 HD3 PRO 96 9.477 0.173 10.921 803 HD3 PRO 96 HD2 PRO 96 10.767 -1.024 10.666 804 H ASP 97 H ASP 97 11.827 2.266 6.231 805 HA ASP 97 HA ASP 97 9.806 4.404 6.828 806 HB2 ASP 97 HB3 ASP 97 12.608 4.609 5.674 807 HB3 ASP 97 HB2 ASP 97 11.486 5.962 5.821 808 H PHE 98 H PHE 98 8.245 4.300 5.265 809 HA PHE 98 HA PHE 98 8.567 2.928 2.749 810 HB2 PHE 98 HB3 PHE 98 6.524 4.997 3.619 811 HB3 PHE 98 HB2 PHE 98 6.310 3.776 2.363 812 HD1 PHE 98 HD1 PHE 98 6.231 4.462 5.930 813 HD2 PHE 98 HD2 PHE 98 6.320 1.338 2.984 814 HE1 PHE 98 HE1 PHE 98 5.477 2.830 7.638 815 HE2 PHE 98 HE2 PHE 98 5.565 -0.294 4.692 816 HZ PHE 98 HZ PHE 98 5.143 0.452 7.019 817 H ILE 99 H ILE 99 9.195 3.752 0.759 818 HA ILE 99 HA ILE 99 9.807 6.686 0.640 819 HB ILE 99 HB ILE 99 11.498 5.717 -1.156 820 HG12 ILE 99 HG13 ILE 99 11.002 3.333 0.662 821 HG13 ILE 99 HG12 ILE 99 10.623 3.405 -1.060 822 HG21 ILE 99 HG21 ILE 99 13.177 5.491 0.631 823 HG22 ILE 99 HG22 ILE 99 11.890 5.351 1.830 824 HG23 ILE 99 HG23 ILE 99 12.112 6.861 0.946 825 HD11 ILE 99 HD11 ILE 99 13.305 4.214 -0.869 826 HD12 ILE 99 HD12 ILE 99 12.713 2.662 -1.463 827 HD13 ILE 99 HD13 ILE 99 13.160 2.845 0.234 828 H ASN 100 H ASN 100 8.161 4.016 -0.854 829 HA ASN 100 HA ASN 100 7.129 5.878 -2.939 830 HB2 ASN 100 HB3 ASN 100 8.703 3.351 -3.296 831 HB3 ASN 100 HB2 ASN 100 7.473 3.760 -4.490 832 HD21 ASN 100 HD21 ASN 100 10.683 3.993 -4.187 833 HD22 ASN 100 HD22 ASN 100 10.973 5.496 -4.920 834 H MET 101 H MET 101 4.945 5.647 -3.092 835 HA MET 101 HA MET 101 3.687 3.008 -2.559 836 HB2 MET 101 HB3 MET 101 3.982 4.950 -0.595 837 HB3 MET 101 HB2 MET 101 2.347 5.233 -1.194 838 HG2 MET 101 HG3 MET 101 3.133 2.401 -0.714 839 HG3 MET 101 HG2 MET 101 2.875 3.410 0.708 840 HE1 MET 101 HE1 MET 101 -0.365 1.258 0.314 841 HE2 MET 101 HE2 MET 101 1.166 1.478 1.157 842 HE3 MET 101 HE3 MET 101 1.150 0.753 -0.447 843 H TYR 102 H TYR 102 2.304 2.733 -4.273 844 HA TYR 102 HA TYR 102 0.575 5.009 -5.097 845 HB2 TYR 102 HB3 TYR 102 1.271 4.836 -7.398 846 HB3 TYR 102 HB2 TYR 102 2.740 4.950 -6.430 847 HD1 TYR 102 HD1 TYR 102 0.417 2.453 -7.976 848 HD2 TYR 102 HD2 TYR 102 4.397 3.295 -6.599 849 HE1 TYR 102 HE1 TYR 102 1.195 0.290 -8.906 850 HE2 TYR 102 HE2 TYR 102 5.177 1.131 -7.527 851 HH TYR 102 HH TYR 102 2.917 -1.074 -9.193 852 H VAL 103 H VAL 103 -1.226 4.222 -6.520 853 HA VAL 103 HA VAL 103 -1.783 1.302 -6.093 854 HB VAL 103 HB VAL 103 -3.655 3.691 -6.004 855 HG11 VAL 103 HG11 VAL 103 -4.683 1.573 -6.838 856 HG12 VAL 103 HG12 VAL 103 -5.345 2.086 -5.285 857 HG13 VAL 103 HG13 VAL 103 -4.167 0.773 -5.353 858 HG21 VAL 103 HG21 VAL 103 -2.020 2.297 -3.993 859 HG22 VAL 103 HG22 VAL 103 -3.722 2.428 -3.551 860 HG23 VAL 103 HG23 VAL 103 -2.790 3.881 -3.912 861 H ASP 104 H ASP 104 -2.975 0.266 -7.794 862 HA ASP 104 HA ASP 104 -2.849 1.708 -10.412 863 HB2 ASP 104 HB3 ASP 104 -1.618 -0.494 -9.873 864 HB3 ASP 104 HB2 ASP 104 -3.209 -1.253 -9.912 865 H VAL 105 H VAL 105 -4.817 2.536 -11.015 866 HA VAL 105 HA VAL 105 -7.300 1.110 -10.150 867 HB VAL 105 HB VAL 105 -6.874 3.912 -11.234 868 HG11 VAL 105 HG11 VAL 105 -9.170 3.022 -11.483 869 HG12 VAL 105 HG12 VAL 105 -9.111 4.323 -10.293 870 HG13 VAL 105 HG13 VAL 105 -9.204 2.645 -9.761 871 HG21 VAL 105 HG21 VAL 105 -6.917 2.793 -8.426 872 HG22 VAL 105 HG22 VAL 105 -7.282 4.486 -8.756 873 HG23 VAL 105 HG23 VAL 105 -5.698 3.828 -9.169 874 HA PRO 106 HA PRO 106 -7.648 -0.250 -14.376 875 HB2 PRO 106 HB3 PRO 106 -10.458 -0.812 -13.691 876 HB3 PRO 106 HB2 PRO 106 -9.177 -1.938 -14.178 877 HG2 PRO 106 HG3 PRO 106 -10.154 -1.822 -11.665 878 HG3 PRO 106 HG2 PRO 106 -8.490 -2.292 -12.038 879 HD2 PRO 106 HD3 PRO 106 -9.525 0.269 -10.940 880 HD3 PRO 106 HD2 PRO 106 -7.985 -0.563 -10.628 881 H GLY 107 H GLY 107 -8.050 1.111 -16.075 882 HA2 GLY 107 HA3 GLY 107 -9.338 2.542 -17.474 883 HA3 GLY 107 HA2 GLY 107 -10.564 2.632 -16.208 884 H GLU 108 H GLU 108 -8.255 3.276 -14.264 885 HA GLU 108 HA GLU 108 -8.002 6.165 -15.023 886 HB2 GLU 108 HB3 GLU 108 -8.430 4.741 -12.383 887 HB3 GLU 108 HB2 GLU 108 -7.982 6.446 -12.481 888 HG2 GLU 108 HG3 GLU 108 -9.995 6.686 -14.083 889 HG3 GLU 108 HG2 GLU 108 -10.504 5.113 -13.468 890 H LYS 109 H LYS 109 -6.000 7.206 -14.169 891 HA LYS 109 HA LYS 109 -3.665 5.494 -14.535 892 HB2 LYS 109 HB3 LYS 109 -4.324 8.172 -14.825 893 HB3 LYS 109 HB2 LYS 109 -3.261 8.176 -13.416 894 HG2 LYS 109 HG3 LYS 109 -1.446 7.354 -14.608 895 HG3 LYS 109 HG2 LYS 109 -2.465 6.561 -15.811 896 HD2 LYS 109 HD3 LYS 109 -2.051 8.331 -17.148 897 HD3 LYS 109 HD2 LYS 109 -3.104 9.259 -16.077 898 HE2 LYS 109 HE3 LYS 109 -0.658 9.184 -14.718 899 HE3 LYS 109 HE2 LYS 109 -0.215 9.455 -16.415 900 HZ1 LYS 109 HZ1 LYS 109 -2.497 10.891 -15.226 901 HZ2 LYS 109 HZ2 LYS 109 -1.541 11.324 -16.563 902 HZ3 LYS 109 HZ3 LYS 109 -0.920 11.470 -14.988 903 H ARG 110 H ARG 110 -2.179 4.855 -12.924 904 HA ARG 110 HA ARG 110 -3.162 4.356 -10.290 905 HB2 ARG 110 HB3 ARG 110 -0.727 3.786 -9.897 906 HB3 ARG 110 HB2 ARG 110 -1.428 3.021 -11.325 907 HG2 ARG 110 HG3 ARG 110 -0.425 5.588 -12.094 908 HG3 ARG 110 HG2 ARG 110 0.840 4.751 -11.194 909 HD2 ARG 110 HD3 ARG 110 -0.008 2.702 -12.745 910 HD3 ARG 110 HD2 ARG 110 -0.366 4.064 -13.827 911 HE ARG 110 HE ARG 110 1.960 4.478 -13.992 912 HH11 ARG 110 HH11 ARG 110 1.196 2.420 -11.325 913 HH12 ARG 110 HH12 ARG 110 2.851 2.080 -10.948 914 HH21 ARG 110 HH21 ARG 110 4.123 4.034 -13.512 915 HH22 ARG 110 HH22 ARG 110 4.505 2.993 -12.182 916 H TYR 111 H TYR 111 -3.320 5.738 -8.578 917 HA TYR 111 HA TYR 111 -2.008 8.395 -8.726 918 HB2 TYR 111 HB3 TYR 111 -4.501 7.592 -8.053 919 HB3 TYR 111 HB2 TYR 111 -3.751 7.566 -6.457 920 HD1 TYR 111 HD1 TYR 111 -3.857 9.755 -9.511 921 HD2 TYR 111 HD2 TYR 111 -3.774 9.539 -5.223 922 HE1 TYR 111 HE1 TYR 111 -4.041 12.226 -9.383 923 HE2 TYR 111 HE2 TYR 111 -3.959 12.009 -5.094 924 HH TYR 111 HH TYR 111 -4.897 13.864 -6.644 925 H TYR 112 H TYR 112 -0.170 8.800 -7.560 926 HA TYR 112 HA TYR 112 1.024 6.738 -5.888 927 HB2 TYR 112 HB3 TYR 112 2.880 8.223 -5.875 928 HB3 TYR 112 HB2 TYR 112 2.116 8.488 -7.439 929 HD1 TYR 112 HD1 TYR 112 2.861 9.919 -4.158 930 HD2 TYR 112 HD2 TYR 112 0.705 10.497 -7.828 931 HE1 TYR 112 HE1 TYR 112 2.537 12.312 -3.591 932 HE2 TYR 112 HE2 TYR 112 0.382 12.889 -7.261 933 HH TYR 112 HH TYR 112 1.880 14.601 -5.594 934 H LEU 113 H LEU 113 1.018 6.619 -3.661 935 HA LEU 113 HA LEU 113 -0.732 8.503 -2.180 936 HB2 LEU 113 HB3 LEU 113 0.022 5.723 -2.100 937 HB3 LEU 113 HB2 LEU 113 0.373 6.462 -0.538 938 HG LEU 113 HG LEU 113 -1.965 5.544 -0.734 939 HD11 LEU 113 HD11 LEU 113 -1.164 7.578 0.700 940 HD12 LEU 113 HD12 LEU 113 -2.896 7.303 0.507 941 HD13 LEU 113 HD13 LEU 113 -2.086 8.538 -0.457 942 HD21 LEU 113 HD21 LEU 113 -3.465 6.345 -2.296 943 HD22 LEU 113 HD22 LEU 113 -1.977 6.543 -3.222 944 HD23 LEU 113 HD23 LEU 113 -2.687 7.925 -2.387 945 H ILE 114 H ILE 114 2.632 7.351 -2.243 946 HA ILE 114 HA ILE 114 3.343 9.443 -0.216 947 HB ILE 114 HB ILE 114 4.600 6.819 -1.067 948 HG12 ILE 114 HG13 ILE 114 3.355 7.826 1.511 949 HG13 ILE 114 HG12 ILE 114 2.712 6.574 0.448 950 HG21 ILE 114 HG21 ILE 114 6.455 8.249 -0.639 951 HG22 ILE 114 HG22 ILE 114 6.202 7.361 0.864 952 HG23 ILE 114 HG23 ILE 114 5.640 9.026 0.718 953 HD11 ILE 114 HD11 ILE 114 5.466 6.025 1.245 954 HD12 ILE 114 HD12 ILE 114 4.041 4.991 1.357 955 HD13 ILE 114 HD13 ILE 114 4.387 6.156 2.634 956 H LYS 115 H LYS 115 4.499 7.903 -3.238 957 HA LYS 115 HA LYS 115 6.732 9.394 -3.877 958 HB2 LYS 115 HB3 LYS 115 5.288 7.603 -5.161 959 HB3 LYS 115 HB2 LYS 115 4.557 9.019 -5.919 960 HG2 LYS 115 HG3 LYS 115 6.917 9.805 -6.452 961 HG3 LYS 115 HG2 LYS 115 7.472 8.207 -5.952 962 HD2 LYS 115 HD3 LYS 115 7.162 7.789 -8.198 963 HD3 LYS 115 HD2 LYS 115 5.532 7.431 -7.624 964 HE2 LYS 115 HE3 LYS 115 5.436 10.174 -8.006 965 HE3 LYS 115 HE2 LYS 115 6.444 9.618 -9.357 966 HZ1 LYS 115 HZ1 LYS 115 4.805 7.899 -9.824 967 HZ2 LYS 115 HZ2 LYS 115 4.095 9.440 -9.913 968 HZ3 LYS 115 HZ3 LYS 115 3.828 8.455 -8.553 Start of MODEL 8 1 H1 GLY 1 H GLY 1 7.331 -11.658 12.433 2 HA2 GLY 1 HA3 GLY 1 5.064 -12.929 13.668 3 HA3 GLY 1 HA2 GLY 1 6.104 -11.728 14.435 4 H SER 2 H SER 2 5.406 -10.008 11.911 5 HA SER 2 HA SER 2 2.602 -9.278 12.590 6 HB2 SER 2 HB3 SER 2 3.174 -7.179 13.427 7 HB3 SER 2 HB2 SER 2 4.540 -8.134 13.996 8 HG SER 2 HG SER 2 5.662 -6.722 12.911 9 H ASP 3 H ASP 3 4.157 -10.312 10.185 10 HA ASP 3 HA ASP 3 4.567 -8.311 8.223 11 HB2 ASP 3 HB3 ASP 3 3.618 -11.186 8.134 12 HB3 ASP 3 HB2 ASP 3 3.975 -10.268 6.670 13 H THR 4 H THR 4 1.583 -9.914 9.289 14 HA THR 4 HA THR 4 -0.147 -8.891 7.241 15 HB THR 4 HB THR 4 -0.632 -9.692 10.131 16 HG1 THR 4 HG1 THR 4 -0.573 -11.063 7.664 17 HG21 THR 4 HG21 THR 4 -2.387 -8.454 8.318 18 HG22 THR 4 HG22 THR 4 -2.820 -9.279 9.815 19 HG23 THR 4 HG23 THR 4 -2.815 -10.164 8.289 20 H GLN 5 H GLN 5 0.561 -7.706 10.549 21 HA GLN 5 HA GLN 5 -1.101 -5.403 10.500 22 HB2 GLN 5 HB3 GLN 5 1.566 -5.979 11.834 23 HB3 GLN 5 HB2 GLN 5 0.520 -4.624 12.263 24 HG2 GLN 5 HG3 GLN 5 -1.273 -6.659 12.374 25 HG3 GLN 5 HG2 GLN 5 0.198 -7.515 12.838 26 HE21 GLN 5 HE21 GLN 5 0.230 -7.600 15.094 27 HE22 GLN 5 HE22 GLN 5 -0.104 -6.288 16.119 28 H LEU 6 H LEU 6 2.108 -5.984 9.147 29 HA LEU 6 HA LEU 6 2.881 -3.284 8.624 30 HB2 LEU 6 HB3 LEU 6 3.674 -5.993 8.005 31 HB3 LEU 6 HB2 LEU 6 3.814 -4.992 6.559 32 HG LEU 6 HG LEU 6 4.789 -3.621 8.947 33 HD11 LEU 6 HD11 LEU 6 6.871 -5.475 8.303 34 HD12 LEU 6 HD12 LEU 6 5.428 -6.396 8.727 35 HD13 LEU 6 HD13 LEU 6 6.087 -5.216 9.861 36 HD21 LEU 6 HD21 LEU 6 6.145 -4.418 6.352 37 HD22 LEU 6 HD22 LEU 6 6.668 -3.151 7.461 38 HD23 LEU 6 HD23 LEU 6 5.164 -2.966 6.559 39 H PHE 7 H PHE 7 0.996 -5.622 6.704 40 HA PHE 7 HA PHE 7 0.632 -3.780 4.470 41 HB2 PHE 7 HB3 PHE 7 0.279 -5.826 3.570 42 HB3 PHE 7 HB2 PHE 7 0.211 -6.551 5.170 43 HD1 PHE 7 HD1 PHE 7 -1.693 -7.824 5.521 44 HD2 PHE 7 HD2 PHE 7 -1.997 -4.236 3.176 45 HE1 PHE 7 HE1 PHE 7 -4.124 -8.215 5.237 46 HE2 PHE 7 HE2 PHE 7 -4.429 -4.629 2.893 47 HZ PHE 7 HZ PHE 7 -5.493 -6.620 3.925 48 H ASN 8 H ASN 8 -1.256 -4.779 7.310 49 HA ASN 8 HA ASN 8 -3.758 -3.636 6.666 50 HB2 ASN 8 HB3 ASN 8 -2.197 -4.131 9.195 51 HB3 ASN 8 HB2 ASN 8 -3.790 -3.374 9.269 52 HD21 ASN 8 HD21 ASN 8 -3.311 -5.994 10.363 53 HD22 ASN 8 HD22 ASN 8 -4.189 -7.117 9.442 54 H ARG 9 H ARG 9 -1.047 -2.092 8.456 55 HA ARG 9 HA ARG 9 -2.247 0.479 8.715 56 HB2 ARG 9 HB3 ARG 9 0.084 1.193 9.114 57 HB3 ARG 9 HB2 ARG 9 -0.241 -0.342 9.918 58 HG2 ARG 9 HG3 ARG 9 0.737 -1.524 7.943 59 HG3 ARG 9 HG2 ARG 9 1.180 0.044 7.268 60 HD2 ARG 9 HD3 ARG 9 2.139 0.123 9.905 61 HD3 ARG 9 HD2 ARG 9 2.544 -1.502 9.320 62 HE ARG 9 HE ARG 9 3.079 0.545 7.325 63 HH11 ARG 9 HH11 ARG 9 4.232 -1.080 10.147 64 HH12 ARG 9 HH12 ARG 9 5.901 -0.772 9.800 65 HH21 ARG 9 HH21 ARG 9 5.253 0.966 6.873 66 HH22 ARG 9 HH22 ARG 9 6.478 0.385 7.949 67 H ALA 10 H ALA 10 -0.300 -0.942 6.096 68 HA ALA 10 HA ALA 10 -0.011 1.447 4.525 69 HB1 ALA 10 HB1 ALA 10 -0.022 -0.678 2.761 70 HB2 ALA 10 HB2 ALA 10 0.349 -1.469 4.293 71 HB3 ALA 10 HB3 ALA 10 1.377 -0.163 3.702 72 H VAL 11 H VAL 11 -2.387 -1.229 4.371 73 HA VAL 11 HA VAL 11 -3.938 -0.097 2.233 74 HB VAL 11 HB VAL 11 -3.751 -2.466 3.611 75 HG11 VAL 11 HG11 VAL 11 -6.008 -2.896 4.567 76 HG12 VAL 11 HG12 VAL 11 -6.387 -1.183 4.382 77 HG13 VAL 11 HG13 VAL 11 -5.109 -1.688 5.487 78 HG21 VAL 11 HG21 VAL 11 -6.236 -2.562 2.292 79 HG22 VAL 11 HG22 VAL 11 -4.660 -2.983 1.624 80 HG23 VAL 11 HG23 VAL 11 -5.289 -1.347 1.435 81 H SER 12 H SER 12 -3.962 0.322 5.731 82 HA SER 12 HA SER 12 -6.519 1.568 6.029 83 HB2 SER 12 HB3 SER 12 -4.110 1.058 7.530 84 HB3 SER 12 HB2 SER 12 -4.648 2.706 7.837 85 HG SER 12 HG SER 12 -6.022 0.269 8.217 86 H MET 13 H MET 13 -3.293 2.975 5.406 87 HA MET 13 HA MET 13 -4.256 5.710 5.299 88 HB2 MET 13 HB3 MET 13 -1.955 6.074 4.350 89 HB3 MET 13 HB2 MET 13 -1.950 5.145 5.850 90 HG2 MET 13 HG3 MET 13 -1.475 3.132 4.757 91 HG3 MET 13 HG2 MET 13 -2.091 3.716 3.212 92 HE1 MET 13 HE1 MET 13 0.211 4.207 5.997 93 HE2 MET 13 HE2 MET 13 0.633 5.854 5.532 94 HE3 MET 13 HE3 MET 13 1.810 4.559 5.331 95 H VAL 14 H VAL 14 -3.839 3.115 2.952 96 HA VAL 14 HA VAL 14 -4.096 4.750 0.577 97 HB VAL 14 HB VAL 14 -4.382 1.819 1.259 98 HG11 VAL 14 HG11 VAL 14 -5.871 2.318 -0.647 99 HG12 VAL 14 HG12 VAL 14 -4.474 1.375 -1.165 100 HG13 VAL 14 HG13 VAL 14 -4.535 3.109 -1.483 101 HG21 VAL 14 HG21 VAL 14 -2.186 3.476 0.884 102 HG22 VAL 14 HG22 VAL 14 -2.375 2.695 -0.687 103 HG23 VAL 14 HG23 VAL 14 -2.175 1.715 0.766 104 H GLU 15 H GLU 15 -6.407 2.840 2.517 105 HA GLU 15 HA GLU 15 -8.654 3.414 0.745 106 HB2 GLU 15 HB3 GLU 15 -9.898 2.203 2.462 107 HB3 GLU 15 HB2 GLU 15 -8.362 1.380 2.183 108 HG2 GLU 15 HG3 GLU 15 -8.450 1.484 4.523 109 HG3 GLU 15 HG2 GLU 15 -7.485 2.902 4.117 110 H LYS 16 H LYS 16 -7.152 5.022 3.452 111 HA LYS 16 HA LYS 16 -9.549 6.719 3.927 112 HB2 LYS 16 HB3 LYS 16 -8.402 7.345 5.923 113 HB3 LYS 16 HB2 LYS 16 -8.063 5.627 5.717 114 HG2 LYS 16 HG3 LYS 16 -5.912 6.222 4.603 115 HG3 LYS 16 HG2 LYS 16 -6.241 7.923 4.938 116 HD2 LYS 16 HD3 LYS 16 -6.572 7.027 7.413 117 HD3 LYS 16 HD2 LYS 16 -5.539 5.718 6.839 118 HE2 LYS 16 HE3 LYS 16 -3.744 7.205 6.344 119 HE3 LYS 16 HE2 LYS 16 -4.795 8.630 6.455 120 HZ1 LYS 16 HZ1 LYS 16 -4.804 8.570 8.698 121 HZ2 LYS 16 HZ2 LYS 16 -3.337 7.736 8.499 122 HZ3 LYS 16 HZ3 LYS 16 -4.777 6.876 8.771 123 H ASN 17 H ASN 17 -6.604 6.752 2.152 124 HA ASN 17 HA ASN 17 -5.799 9.447 2.166 125 HB2 ASN 17 HB3 ASN 17 -5.364 7.086 0.688 126 HB3 ASN 17 HB2 ASN 17 -5.817 8.305 -0.504 127 HD21 ASN 17 HD21 ASN 17 -4.130 9.629 -1.191 128 HD22 ASN 17 HD22 ASN 17 -2.690 9.897 -0.333 129 H LYS 18 H LYS 18 -7.003 11.262 1.749 130 HA LYS 18 HA LYS 18 -9.636 11.203 0.612 131 HB2 LYS 18 HB3 LYS 18 -9.314 13.688 0.633 132 HB3 LYS 18 HB2 LYS 18 -8.852 12.927 2.154 133 HG2 LYS 18 HG3 LYS 18 -6.607 12.969 0.324 134 HG3 LYS 18 HG2 LYS 18 -7.254 14.595 0.546 135 HD2 LYS 18 HD3 LYS 18 -7.301 13.647 3.113 136 HD3 LYS 18 HD2 LYS 18 -5.869 12.842 2.474 137 HE2 LYS 18 HE3 LYS 18 -4.854 14.828 3.057 138 HE3 LYS 18 HE2 LYS 18 -5.489 15.357 1.487 139 HZ1 LYS 18 HZ1 LYS 18 -7.365 15.405 3.707 140 HZ2 LYS 18 HZ2 LYS 18 -7.157 16.516 2.439 141 HZ3 LYS 18 HZ3 LYS 18 -6.118 16.553 3.783 142 H ASP 19 H ASP 19 -6.444 11.518 -0.819 143 HA ASP 19 HA ASP 19 -7.302 12.650 -3.345 144 HB2 ASP 19 HB3 ASP 19 -4.879 11.315 -2.189 145 HB3 ASP 19 HB2 ASP 19 -4.969 11.522 -3.939 146 H ILE 20 H ILE 20 -6.600 9.316 -2.249 147 HA ILE 20 HA ILE 20 -7.156 8.082 -4.804 148 HB ILE 20 HB ILE 20 -7.213 6.993 -1.970 149 HG12 ILE 20 HG13 ILE 20 -5.080 8.081 -2.492 150 HG13 ILE 20 HG12 ILE 20 -4.864 6.330 -2.483 151 HG21 ILE 20 HG21 ILE 20 -6.451 4.898 -3.368 152 HG22 ILE 20 HG22 ILE 20 -7.238 5.742 -4.701 153 HG23 ILE 20 HG23 ILE 20 -8.166 5.300 -3.268 154 HD11 ILE 20 HD11 ILE 20 -5.609 6.879 -5.106 155 HD12 ILE 20 HD12 ILE 20 -3.967 6.567 -4.544 156 HD13 ILE 20 HD13 ILE 20 -4.550 8.225 -4.687 157 H ARG 21 H ARG 21 -9.123 8.803 -1.933 158 HA ARG 21 HA ARG 21 -11.429 7.289 -2.457 159 HB2 ARG 21 HB3 ARG 21 -10.931 8.732 -0.472 160 HB3 ARG 21 HB2 ARG 21 -11.258 10.153 -1.464 161 HG2 ARG 21 HG3 ARG 21 -13.518 8.851 -1.975 162 HG3 ARG 21 HG2 ARG 21 -13.159 8.088 -0.425 163 HD2 ARG 21 HD3 ARG 21 -13.422 11.074 -0.943 164 HD3 ARG 21 HD2 ARG 21 -14.523 10.059 0.010 165 HE ARG 21 HE ARG 21 -11.910 9.679 1.044 166 HH11 ARG 21 HH11 ARG 21 -14.305 12.143 0.695 167 HH12 ARG 21 HH12 ARG 21 -13.823 12.995 2.124 168 HH21 ARG 21 HH21 ARG 21 -11.279 10.775 2.913 169 HH22 ARG 21 HH22 ARG 21 -12.111 12.221 3.379 170 H SER 22 H SER 22 -10.382 10.346 -3.927 171 HA SER 22 HA SER 22 -12.809 10.921 -5.352 172 HB2 SER 22 HB3 SER 22 -11.493 12.761 -5.513 173 HB3 SER 22 HB2 SER 22 -10.045 11.828 -5.146 174 HG SER 22 HG SER 22 -9.793 11.377 -7.266 175 H LEU 23 H LEU 23 -9.889 9.070 -6.220 176 HA LEU 23 HA LEU 23 -10.734 8.523 -8.947 177 HB2 LEU 23 HB3 LEU 23 -8.794 7.028 -7.151 178 HB3 LEU 23 HB2 LEU 23 -8.801 7.041 -8.915 179 HG LEU 23 HG LEU 23 -8.445 9.537 -7.242 180 HD11 LEU 23 HD11 LEU 23 -6.036 8.891 -8.542 181 HD12 LEU 23 HD12 LEU 23 -6.583 7.386 -7.803 182 HD13 LEU 23 HD13 LEU 23 -6.352 8.823 -6.807 183 HD21 LEU 23 HD21 LEU 23 -9.254 9.867 -9.549 184 HD22 LEU 23 HD22 LEU 23 -7.915 8.896 -10.161 185 HD23 LEU 23 HD23 LEU 23 -7.597 10.447 -9.383 186 H LEU 24 H LEU 24 -10.724 6.654 -5.915 187 HA LEU 24 HA LEU 24 -12.257 4.455 -7.156 188 HB2 LEU 24 HB3 LEU 24 -10.374 4.714 -5.149 189 HB3 LEU 24 HB2 LEU 24 -11.872 4.511 -4.239 190 HG LEU 24 HG LEU 24 -11.824 2.673 -6.463 191 HD11 LEU 24 HD11 LEU 24 -9.905 1.333 -5.892 192 HD12 LEU 24 HD12 LEU 24 -9.535 2.356 -4.504 193 HD13 LEU 24 HD13 LEU 24 -9.330 2.981 -6.141 194 HD21 LEU 24 HD21 LEU 24 -12.360 1.092 -4.751 195 HD22 LEU 24 HD22 LEU 24 -13.099 2.611 -4.243 196 HD23 LEU 24 HD23 LEU 24 -11.588 2.074 -3.506 197 H GLN 25 H GLN 25 -13.135 7.444 -6.127 198 HA GLN 25 HA GLN 25 -15.130 8.365 -5.238 199 HB2 GLN 25 HB3 GLN 25 -16.257 5.746 -6.269 200 HB3 GLN 25 HB2 GLN 25 -17.081 7.303 -6.175 201 HG2 GLN 25 HG3 GLN 25 -15.289 8.196 -7.759 202 HG3 GLN 25 HG2 GLN 25 -14.805 6.519 -8.008 203 HE21 GLN 25 HE21 GLN 25 -15.740 5.708 -9.883 204 HE22 GLN 25 HE22 GLN 25 -17.308 6.065 -10.429 205 H CYS 26 H CYS 26 -13.499 6.573 -3.473 206 HA CYS 26 HA CYS 26 -15.224 4.878 -1.917 207 HB2 CYS 26 HB3 CYS 26 -12.575 5.255 -2.160 208 HB3 CYS 26 HB2 CYS 26 -12.851 6.238 -0.723 209 HG CYS 26 HG CYS 26 -13.556 3.192 -0.884 210 H ASP 27 H ASP 27 -15.358 5.455 0.585 211 HA ASP 27 HA ASP 27 -16.193 8.308 0.928 212 HB2 ASP 27 HB3 ASP 27 -17.782 5.842 0.913 213 HB3 ASP 27 HB2 ASP 27 -18.025 6.801 2.373 214 H ASP 28 H ASP 28 -16.515 8.789 3.331 215 HA ASP 28 HA ASP 28 -15.482 7.057 5.377 216 HB2 ASP 28 HB3 ASP 28 -13.504 7.693 3.743 217 HB3 ASP 28 HB2 ASP 28 -13.522 9.212 4.639 218 H GLY 29 H GLY 29 -17.220 8.011 6.571 219 HA2 GLY 29 HA3 GLY 29 -16.653 10.783 7.513 220 HA3 GLY 29 HA2 GLY 29 -18.286 10.363 6.991 221 H ILE 30 H ILE 30 -17.555 11.210 9.658 222 HA ILE 30 HA ILE 30 -17.224 9.113 11.534 223 HB ILE 30 HB ILE 30 -17.097 11.497 12.065 224 HG12 ILE 30 HG13 ILE 30 -19.510 10.364 13.505 225 HG13 ILE 30 HG12 ILE 30 -17.865 9.806 13.814 226 HG21 ILE 30 HG21 ILE 30 -18.678 12.513 10.638 227 HG22 ILE 30 HG22 ILE 30 -19.391 12.702 12.241 228 HG23 ILE 30 HG23 ILE 30 -19.973 11.436 11.159 229 HD11 ILE 30 HD11 ILE 30 -18.548 11.573 15.415 230 HD12 ILE 30 HD12 ILE 30 -18.805 12.678 14.065 231 HD13 ILE 30 HD13 ILE 30 -17.183 12.085 14.422 232 H THR 31 H THR 31 -20.052 10.120 9.697 233 HA THR 31 HA THR 31 -21.964 8.592 11.299 234 HB THR 31 HB THR 31 -22.414 10.677 9.941 235 HG1 THR 31 HG1 THR 31 -24.292 9.496 8.810 236 HG21 THR 31 HG21 THR 31 -21.001 9.544 7.986 237 HG22 THR 31 HG22 THR 31 -22.296 10.690 7.638 238 HG23 THR 31 HG23 THR 31 -22.594 8.957 7.508 239 H GLY 32 H GLY 32 -19.807 7.936 8.649 240 HA2 GLY 32 HA3 GLY 32 -20.248 5.116 8.751 241 HA3 GLY 32 HA2 GLY 32 -21.141 5.780 7.382 242 H LYS 33 H LYS 33 -18.479 4.153 7.821 243 HA LYS 33 HA LYS 33 -16.847 5.815 5.924 244 HB2 LYS 33 HB3 LYS 33 -16.023 3.906 8.136 245 HB3 LYS 33 HB2 LYS 33 -14.897 4.699 7.033 246 HG2 LYS 33 HG3 LYS 33 -14.886 6.502 8.375 247 HG3 LYS 33 HG2 LYS 33 -16.609 6.718 8.063 248 HD2 LYS 33 HD3 LYS 33 -15.670 4.699 10.092 249 HD3 LYS 33 HD2 LYS 33 -15.829 6.402 10.528 250 HE2 LYS 33 HE3 LYS 33 -18.213 6.193 9.443 251 HE3 LYS 33 HE2 LYS 33 -17.979 4.456 9.718 252 HZ1 LYS 33 HZ1 LYS 33 -18.799 6.214 11.604 253 HZ2 LYS 33 HZ2 LYS 33 -17.132 6.116 11.917 254 HZ3 LYS 33 HZ3 LYS 33 -18.085 4.710 11.926 255 H GLU 34 H GLU 34 -16.000 4.711 4.125 256 HA GLU 34 HA GLU 34 -17.302 2.243 3.326 257 HB2 GLU 34 HB3 GLU 34 -16.561 4.146 1.849 258 HB3 GLU 34 HB2 GLU 34 -14.891 3.663 2.151 259 HG2 GLU 34 HG3 GLU 34 -15.270 2.447 0.227 260 HG3 GLU 34 HG2 GLU 34 -15.855 1.277 1.410 261 H ARG 35 H ARG 35 -16.411 0.154 3.280 262 HA ARG 35 HA ARG 35 -13.796 -0.181 4.708 263 HB2 ARG 35 HB3 ARG 35 -15.590 -1.074 6.002 264 HB3 ARG 35 HB2 ARG 35 -16.348 -1.799 4.583 265 HG2 ARG 35 HG3 ARG 35 -13.582 -2.694 5.021 266 HG3 ARG 35 HG2 ARG 35 -14.681 -3.128 6.332 267 HD2 ARG 35 HD3 ARG 35 -15.682 -3.564 3.553 268 HD3 ARG 35 HD2 ARG 35 -14.434 -4.677 4.151 269 HE ARG 35 HE ARG 35 -16.145 -4.541 6.283 270 HH11 ARG 35 HH11 ARG 35 -16.578 -5.063 2.895 271 HH12 ARG 35 HH12 ARG 35 -17.988 -6.048 3.097 272 HH21 ARG 35 HH21 ARG 35 -17.986 -5.818 6.555 273 HH22 ARG 35 HH22 ARG 35 -18.784 -6.474 5.165 274 H LEU 36 H LEU 36 -12.209 -0.767 3.302 275 HA LEU 36 HA LEU 36 -12.941 -2.370 0.883 276 HB2 LEU 36 HB3 LEU 36 -10.450 -0.738 1.448 277 HB3 LEU 36 HB2 LEU 36 -11.007 -1.332 -0.117 278 HG LEU 36 HG LEU 36 -12.570 0.610 1.605 279 HD11 LEU 36 HD11 LEU 36 -10.254 1.062 -0.004 280 HD12 LEU 36 HD12 LEU 36 -11.263 2.255 0.814 281 HD13 LEU 36 HD13 LEU 36 -11.642 1.763 -0.837 282 HD21 LEU 36 HD21 LEU 36 -12.993 -0.778 -0.993 283 HD22 LEU 36 HD22 LEU 36 -13.473 0.918 -0.923 284 HD23 LEU 36 HD23 LEU 36 -14.175 -0.245 0.202 285 H LYS 37 H LYS 37 -11.746 -4.275 0.437 286 HA LYS 37 HA LYS 37 -10.071 -5.285 2.703 287 HB2 LYS 37 HB3 LYS 37 -12.390 -6.275 1.614 288 HB3 LYS 37 HB2 LYS 37 -11.166 -7.166 0.707 289 HG2 LYS 37 HG3 LYS 37 -11.088 -8.557 2.490 290 HG3 LYS 37 HG2 LYS 37 -10.196 -7.266 3.294 291 HD2 LYS 37 HD3 LYS 37 -12.008 -6.599 4.544 292 HD3 LYS 37 HD2 LYS 37 -13.170 -7.064 3.299 293 HE2 LYS 37 HE3 LYS 37 -13.413 -8.626 5.146 294 HE3 LYS 37 HE2 LYS 37 -12.594 -9.494 3.833 295 HZ1 LYS 37 HZ1 LYS 37 -10.474 -8.529 4.909 296 HZ2 LYS 37 HZ2 LYS 37 -11.202 -9.890 5.621 297 HZ3 LYS 37 HZ3 LYS 37 -11.440 -8.346 6.292 298 H ALA 38 H ALA 38 -8.043 -6.083 2.201 299 HA ALA 38 HA ALA 38 -7.236 -6.301 -0.660 300 HB1 ALA 38 HB1 ALA 38 -5.811 -4.649 1.450 301 HB2 ALA 38 HB2 ALA 38 -6.846 -3.983 0.187 302 HB3 ALA 38 HB3 ALA 38 -5.344 -4.801 -0.245 303 H TYR 39 H TYR 39 -5.212 -7.494 -0.930 304 HA TYR 39 HA TYR 39 -4.177 -8.917 1.476 305 HB2 TYR 39 HB3 TYR 39 -4.352 -11.038 -0.025 306 HB3 TYR 39 HB2 TYR 39 -5.828 -10.440 0.728 307 HD1 TYR 39 HD1 TYR 39 -7.590 -9.423 -0.576 308 HD2 TYR 39 HD2 TYR 39 -3.912 -10.641 -2.430 309 HE1 TYR 39 HE1 TYR 39 -8.625 -9.145 -2.811 310 HE2 TYR 39 HE2 TYR 39 -4.947 -10.363 -4.668 311 HH TYR 39 HH TYR 39 -7.260 -10.381 -5.634 312 H GLY 40 H GLY 40 -2.045 -9.887 1.053 313 HA2 GLY 40 HA3 GLY 40 -0.447 -8.298 -0.773 314 HA3 GLY 40 HA2 GLY 40 0.144 -9.621 0.231 315 H GLU 41 H GLU 41 1.358 -10.036 -1.866 316 HA GLU 41 HA GLU 41 -0.149 -11.144 -4.120 317 HB2 GLU 41 HB3 GLU 41 2.653 -10.556 -3.328 318 HB3 GLU 41 HB2 GLU 41 2.445 -11.850 -4.508 319 HG2 GLU 41 HG3 GLU 41 1.464 -10.435 -6.088 320 HG3 GLU 41 HG2 GLU 41 0.979 -9.252 -4.871 321 H LEU 42 H LEU 42 -0.647 -13.295 -4.425 322 HA LEU 42 HA LEU 42 0.796 -15.552 -3.539 323 HB2 LEU 42 HB3 LEU 42 -0.599 -14.096 -1.466 324 HB3 LEU 42 HB2 LEU 42 -1.269 -15.722 -1.607 325 HG LEU 42 HG LEU 42 1.704 -15.178 -1.450 326 HD11 LEU 42 HD11 LEU 42 0.209 -16.297 0.872 327 HD12 LEU 42 HD12 LEU 42 0.052 -14.565 0.585 328 HD13 LEU 42 HD13 LEU 42 1.646 -15.274 0.847 329 HD21 LEU 42 HD21 LEU 42 0.998 -17.703 -0.428 330 HD22 LEU 42 HD22 LEU 42 1.777 -17.371 -1.974 331 HD23 LEU 42 HD23 LEU 42 0.021 -17.503 -1.881 332 H ILE 43 H ILE 43 -0.093 -17.229 -4.703 333 HA ILE 43 HA ILE 43 -2.279 -17.119 -6.393 334 HB ILE 43 HB ILE 43 -2.334 -19.646 -6.033 335 HG12 ILE 43 HG13 ILE 43 -0.034 -20.063 -4.569 336 HG13 ILE 43 HG12 ILE 43 -0.813 -18.764 -3.669 337 HG21 ILE 43 HG21 ILE 43 0.107 -19.890 -6.739 338 HG22 ILE 43 HG22 ILE 43 0.256 -18.151 -6.490 339 HG23 ILE 43 HG23 ILE 43 -0.862 -18.776 -7.703 340 HD11 ILE 43 HD11 ILE 43 -1.426 -21.295 -3.179 341 HD12 ILE 43 HD12 ILE 43 -2.488 -21.075 -4.569 342 HD13 ILE 43 HD13 ILE 43 -2.672 -20.048 -3.148 343 H THR 44 H THR 44 -4.524 -17.646 -6.202 344 HA THR 44 HA THR 44 -5.710 -18.457 -3.670 345 HB THR 44 HB THR 44 -4.985 -16.113 -3.226 346 HG1 THR 44 HG1 THR 44 -7.709 -15.794 -3.394 347 HG21 THR 44 HG21 THR 44 -7.064 -15.124 -5.135 348 HG22 THR 44 HG22 THR 44 -5.486 -15.580 -5.780 349 HG23 THR 44 HG23 THR 44 -5.607 -14.322 -4.551 350 H ASN 45 H ASN 45 -6.132 -16.966 -6.862 351 HA ASN 45 HA ASN 45 -7.848 -17.262 -8.463 352 HB2 ASN 45 HB3 ASN 45 -7.197 -19.666 -7.588 353 HB3 ASN 45 HB2 ASN 45 -8.782 -19.602 -6.817 354 HD21 ASN 45 HD21 ASN 45 -10.621 -19.928 -8.145 355 HD22 ASN 45 HD22 ASN 45 -10.543 -20.127 -9.828 356 H ASP 46 H ASP 46 -9.416 -15.701 -8.304 357 HA ASP 46 HA ASP 46 -11.202 -14.436 -7.385 358 HB2 ASP 46 HB3 ASP 46 -13.167 -15.781 -7.348 359 HB3 ASP 46 HB2 ASP 46 -12.074 -16.613 -8.452 360 H LYS 47 H LYS 47 -12.991 -15.123 -5.285 361 HA LYS 47 HA LYS 47 -13.146 -14.924 -2.935 362 HB2 LYS 47 HB3 LYS 47 -11.022 -16.900 -3.589 363 HB3 LYS 47 HB2 LYS 47 -11.044 -16.317 -1.924 364 HG2 LYS 47 HG3 LYS 47 -13.002 -17.371 -1.445 365 HG3 LYS 47 HG2 LYS 47 -13.700 -16.993 -3.021 366 HD2 LYS 47 HD3 LYS 47 -13.060 -18.978 -3.905 367 HD3 LYS 47 HD2 LYS 47 -11.460 -18.887 -3.167 368 HE2 LYS 47 HE3 LYS 47 -12.101 -20.351 -1.565 369 HE3 LYS 47 HE2 LYS 47 -13.430 -19.273 -1.094 370 HZ1 LYS 47 HZ1 LYS 47 -14.511 -21.165 -1.882 371 HZ2 LYS 47 HZ2 LYS 47 -13.417 -21.383 -3.165 372 HZ3 LYS 47 HZ3 LYS 47 -14.546 -20.115 -3.214 373 H TRP 48 H TRP 48 -11.069 -14.695 -1.005 374 HA TRP 48 HA TRP 48 -9.635 -12.230 -1.940 375 HB2 TRP 48 HB3 TRP 48 -10.201 -12.284 0.920 376 HB3 TRP 48 HB2 TRP 48 -10.614 -11.057 -0.268 377 HD1 TRP 48 HD1 TRP 48 -12.731 -12.139 -2.017 378 HE1 TRP 48 HE1 TRP 48 -14.990 -13.040 -1.163 379 HE3 TRP 48 HE3 TRP 48 -11.494 -13.182 2.827 380 HZ2 TRP 48 HZ2 TRP 48 -16.124 -14.066 1.254 381 HZ3 TRP 48 HZ3 TRP 48 -13.180 -14.120 4.382 382 HH2 TRP 48 HH2 TRP 48 -15.492 -14.562 3.602 383 H THR 49 H THR 49 -9.495 -13.947 1.182 384 HA THR 49 HA THR 49 -7.036 -15.353 0.679 385 HB THR 49 HB THR 49 -6.345 -12.938 0.418 386 HG1 THR 49 HG1 THR 49 -4.997 -14.713 1.310 387 HG21 THR 49 HG21 THR 49 -7.995 -12.203 2.241 388 HG22 THR 49 HG22 THR 49 -6.398 -11.455 2.273 389 HG23 THR 49 HG23 THR 49 -6.785 -12.757 3.399 390 H ARG 50 H ARG 50 -8.955 -13.562 3.082 391 HA ARG 50 HA ARG 50 -9.592 -14.135 5.275 392 HB2 ARG 50 HB3 ARG 50 -9.002 -16.831 4.025 393 HB3 ARG 50 HB2 ARG 50 -9.813 -16.632 5.579 394 HG2 ARG 50 HG3 ARG 50 -11.753 -15.893 4.626 395 HG3 ARG 50 HG2 ARG 50 -10.912 -15.036 3.333 396 HD2 ARG 50 HD3 ARG 50 -11.316 -16.765 1.930 397 HD3 ARG 50 HD2 ARG 50 -10.433 -17.854 3.019 398 HE ARG 50 HE ARG 50 -12.922 -17.395 4.241 399 HH11 ARG 50 HH11 ARG 50 -11.677 -18.692 1.292 400 HH12 ARG 50 HH12 ARG 50 -12.986 -19.804 1.079 401 HH21 ARG 50 HH21 ARG 50 -14.634 -18.846 3.971 402 HH22 ARG 50 HH22 ARG 50 -14.656 -19.891 2.590 403 H ASN 51 H ASN 51 -8.071 -16.877 6.149 404 HA ASN 51 HA ASN 51 -6.038 -15.450 7.694 405 HB2 ASN 51 HB3 ASN 51 -5.757 -17.641 8.732 406 HB3 ASN 51 HB2 ASN 51 -7.480 -17.329 8.515 407 HD21 ASN 51 HD21 ASN 51 -4.919 -19.513 7.743 408 HD22 ASN 51 HD22 ASN 51 -5.784 -20.487 6.655 409 H ARG 52 H ARG 52 -4.806 -14.743 5.680 410 HA ARG 52 HA ARG 52 -2.932 -16.918 4.806 411 HB2 ARG 52 HB3 ARG 52 -4.745 -15.388 3.301 412 HB3 ARG 52 HB2 ARG 52 -3.168 -14.669 2.978 413 HG2 ARG 52 HG3 ARG 52 -2.883 -16.348 1.486 414 HG3 ARG 52 HG2 ARG 52 -2.631 -17.382 2.892 415 HD2 ARG 52 HD3 ARG 52 -5.267 -17.531 2.902 416 HD3 ARG 52 HD2 ARG 52 -5.093 -17.070 1.196 417 HE ARG 52 HE ARG 52 -3.178 -19.051 1.563 418 HH11 ARG 52 HH11 ARG 52 -6.582 -18.729 2.062 419 HH12 ARG 52 HH12 ARG 52 -6.912 -20.405 1.775 420 HH21 ARG 52 HH21 ARG 52 -3.600 -21.238 1.189 421 HH22 ARG 52 HH22 ARG 52 -5.228 -21.822 1.282 422 HA PRO 53 HA PRO 53 -0.055 -14.149 6.782 423 HB2 PRO 53 HB3 PRO 53 2.203 -15.561 6.097 424 HB3 PRO 53 HB2 PRO 53 1.141 -16.000 7.449 425 HG2 PRO 53 HG3 PRO 53 1.298 -17.151 4.714 426 HG3 PRO 53 HG2 PRO 53 1.009 -17.956 6.264 427 HD2 PRO 53 HD3 PRO 53 -0.966 -17.403 4.474 428 HD3 PRO 53 HD2 PRO 53 -1.236 -17.503 6.229 429 H ILE 54 H ILE 54 1.702 -12.722 6.056 430 HA ILE 54 HA ILE 54 1.683 -12.305 3.088 431 HB ILE 54 HB ILE 54 2.070 -10.465 5.466 432 HG12 ILE 54 HG13 ILE 54 -0.257 -11.056 4.976 433 HG13 ILE 54 HG12 ILE 54 0.039 -9.379 4.514 434 HG21 ILE 54 HG21 ILE 54 2.499 -10.027 2.512 435 HG22 ILE 54 HG22 ILE 54 3.558 -9.587 3.851 436 HG23 ILE 54 HG23 ILE 54 2.065 -8.689 3.577 437 HD11 ILE 54 HD11 ILE 54 0.697 -10.605 2.197 438 HD12 ILE 54 HD12 ILE 54 -0.939 -10.054 2.556 439 HD13 ILE 54 HD13 ILE 54 -0.505 -11.745 2.803 440 H VAL 55 H VAL 55 3.662 -12.305 2.019 441 HA VAL 55 HA VAL 55 6.062 -13.001 3.634 442 HB VAL 55 HB VAL 55 5.488 -13.010 0.653 443 HG11 VAL 55 HG11 VAL 55 7.571 -14.784 1.287 444 HG12 VAL 55 HG12 VAL 55 7.934 -13.314 2.192 445 HG13 VAL 55 HG13 VAL 55 7.722 -13.242 0.442 446 HG21 VAL 55 HG21 VAL 55 5.286 -15.054 2.848 447 HG22 VAL 55 HG22 VAL 55 5.630 -15.566 1.196 448 HG23 VAL 55 HG23 VAL 55 4.138 -14.697 1.557 449 H SER 56 H SER 56 7.892 -11.678 3.661 450 HA SER 56 HA SER 56 7.642 -9.070 2.214 451 HB2 SER 56 HB3 SER 56 8.904 -9.700 4.900 452 HB3 SER 56 HB2 SER 56 8.788 -8.099 4.174 453 HG SER 56 HG SER 56 6.554 -9.765 4.701 454 H THR 57 H THR 57 9.536 -8.290 1.210 455 HA THR 57 HA THR 57 11.687 -10.316 0.873 456 HB THR 57 HB THR 57 12.241 -8.801 -1.082 457 HG1 THR 57 HG1 THR 57 9.752 -7.607 -0.707 458 HG21 THR 57 HG21 THR 57 10.142 -10.640 -0.739 459 HG22 THR 57 HG22 THR 57 10.856 -10.120 -2.267 460 HG23 THR 57 HG23 THR 57 9.439 -9.287 -1.627 461 H LYS 58 H LYS 58 13.867 -9.798 1.313 462 HA LYS 58 HA LYS 58 14.398 -7.121 2.548 463 HB2 LYS 58 HB3 LYS 58 15.685 -8.331 4.291 464 HB3 LYS 58 HB2 LYS 58 13.998 -8.843 4.275 465 HG2 LYS 58 HG3 LYS 58 14.797 -10.705 2.654 466 HG3 LYS 58 HG2 LYS 58 16.415 -10.312 3.235 467 HD2 LYS 58 HD3 LYS 58 15.897 -11.862 4.838 468 HD3 LYS 58 HD2 LYS 58 15.118 -10.476 5.601 469 HE2 LYS 58 HE3 LYS 58 13.240 -11.781 5.577 470 HE3 LYS 58 HE2 LYS 58 13.164 -11.369 3.852 471 HZ1 LYS 58 HZ1 LYS 58 14.924 -13.540 4.794 472 HZ2 LYS 58 HZ2 LYS 58 14.266 -13.293 3.247 473 HZ3 LYS 58 HZ3 LYS 58 13.278 -13.844 4.516 474 H LYS 59 H LYS 59 16.139 -6.174 1.570 475 HA LYS 59 HA LYS 59 18.346 -7.897 0.538 476 HB2 LYS 59 HB3 LYS 59 16.303 -6.554 -0.992 477 HB3 LYS 59 HB2 LYS 59 17.872 -5.834 -1.357 478 HG2 LYS 59 HG3 LYS 59 18.686 -7.754 -2.311 479 HG3 LYS 59 HG2 LYS 59 17.790 -8.802 -1.210 480 HD2 LYS 59 HD3 LYS 59 16.234 -7.170 -3.176 481 HD3 LYS 59 HD2 LYS 59 17.092 -8.592 -3.769 482 HE2 LYS 59 HE3 LYS 59 15.802 -9.358 -1.346 483 HE3 LYS 59 HE2 LYS 59 14.604 -8.511 -2.344 484 HZ1 LYS 59 HZ1 LYS 59 16.240 -10.869 -3.027 485 HZ2 LYS 59 HZ2 LYS 59 15.644 -9.854 -4.253 486 HZ3 LYS 59 HZ3 LYS 59 14.568 -10.650 -3.205 487 H LEU 60 H LEU 60 20.367 -6.877 0.719 488 HA LEU 60 HA LEU 60 20.334 -4.112 1.881 489 HB2 LEU 60 HB3 LEU 60 22.503 -4.866 2.904 490 HB3 LEU 60 HB2 LEU 60 21.121 -5.843 3.402 491 HG LEU 60 HG LEU 60 22.316 -6.858 0.949 492 HD11 LEU 60 HD11 LEU 60 24.065 -6.295 3.319 493 HD12 LEU 60 HD12 LEU 60 24.457 -6.223 1.601 494 HD13 LEU 60 HD13 LEU 60 24.318 -7.784 2.410 495 HD21 LEU 60 HD21 LEU 60 22.561 -8.827 2.781 496 HD22 LEU 60 HD22 LEU 60 21.024 -8.436 2.009 497 HD23 LEU 60 HD23 LEU 60 21.389 -7.807 3.615 498 H ASP 61 H ASP 61 21.700 -2.559 0.961 499 HA ASP 61 HA ASP 61 22.780 -3.182 -1.720 500 HB2 ASP 61 HB3 ASP 61 21.612 -0.981 -0.360 501 HB3 ASP 61 HB2 ASP 61 23.261 -0.501 -0.767 502 H LYS 62 H LYS 62 24.955 -1.589 -1.965 503 HA LYS 62 HA LYS 62 27.080 -3.051 -0.737 504 HB2 LYS 62 HB3 LYS 62 27.390 -1.894 -2.816 505 HB3 LYS 62 HB2 LYS 62 26.867 -0.363 -2.115 506 HG2 LYS 62 HG3 LYS 62 29.196 -1.734 -0.847 507 HG3 LYS 62 HG2 LYS 62 29.460 -0.953 -2.407 508 HD2 LYS 62 HD3 LYS 62 29.076 1.160 -1.574 509 HD3 LYS 62 HD2 LYS 62 27.954 0.586 -0.341 510 HE2 LYS 62 HE3 LYS 62 29.700 -0.092 1.106 511 HE3 LYS 62 HE2 LYS 62 30.901 -0.084 -0.203 512 HZ1 LYS 62 HZ1 LYS 62 29.458 2.291 0.856 513 HZ2 LYS 62 HZ2 LYS 62 30.555 2.307 -0.442 514 HZ3 LYS 62 HZ3 LYS 62 31.092 1.924 1.124 515 H GLU 63 H GLU 63 25.168 -0.386 0.403 516 HA GLU 63 HA GLU 63 27.155 0.478 2.409 517 HB2 GLU 63 HB3 GLU 63 24.282 1.222 1.777 518 HB3 GLU 63 HB2 GLU 63 25.253 2.021 3.014 519 HG2 GLU 63 HG3 GLU 63 26.685 1.826 0.483 520 HG3 GLU 63 HG2 GLU 63 25.161 2.697 0.307 521 H GLY 64 H GLY 64 24.844 -1.990 2.153 522 HA2 GLY 64 HA3 GLY 64 24.426 -3.634 3.843 523 HA3 GLY 64 HA2 GLY 64 25.027 -2.503 5.056 524 H ARG 65 H ARG 65 23.028 -0.696 3.187 525 HA ARG 65 HA ARG 65 20.959 -0.525 5.185 526 HB2 ARG 65 HB3 ARG 65 21.895 0.919 2.999 527 HB3 ARG 65 HB2 ARG 65 20.287 0.405 2.489 528 HG2 ARG 65 HG3 ARG 65 19.224 1.553 4.212 529 HG3 ARG 65 HG2 ARG 65 20.651 1.524 5.249 530 HD2 ARG 65 HD3 ARG 65 21.763 3.083 3.557 531 HD3 ARG 65 HD2 ARG 65 20.156 3.280 2.828 532 HE ARG 65 HE ARG 65 19.646 3.686 5.495 533 HH11 ARG 65 HH11 ARG 65 21.977 4.930 3.270 534 HH12 ARG 65 HH12 ARG 65 22.112 6.460 4.068 535 HH21 ARG 65 HH21 ARG 65 19.821 5.675 6.549 536 HH22 ARG 65 HH22 ARG 65 20.894 6.883 5.921 537 H THR 66 H THR 66 19.317 -1.975 5.466 538 HA THR 66 HA THR 66 18.725 -4.006 3.436 539 HB THR 66 HB THR 66 17.826 -3.322 6.231 540 HG1 THR 66 HG1 THR 66 19.258 -5.354 4.925 541 HG21 THR 66 HG21 THR 66 15.786 -4.057 5.161 542 HG22 THR 66 HG22 THR 66 16.405 -5.395 6.129 543 HG23 THR 66 HG23 THR 66 16.626 -5.397 4.379 544 H HIS 67 H HIS 67 17.089 -3.887 1.954 545 HA HIS 67 HA HIS 67 15.099 -1.658 2.222 546 HB2 HIS 67 HB3 HIS 67 16.303 -3.101 -0.162 547 HB3 HIS 67 HB2 HIS 67 15.008 -1.913 -0.293 548 HD1 HIS 67 HD1 HIS 67 18.370 -1.927 -0.938 549 HD2 HIS 67 HD2 HIS 67 16.098 0.472 1.605 550 HE1 HIS 67 HE1 HIS 67 19.716 0.184 -0.553 551 H HIS 68 H HIS 68 12.895 -2.209 2.032 552 HA HIS 68 HA HIS 68 12.299 -5.138 1.754 553 HB2 HIS 68 HB3 HIS 68 11.475 -3.000 3.648 554 HB3 HIS 68 HB2 HIS 68 10.220 -4.147 3.179 555 HD1 HIS 68 HD1 HIS 68 13.905 -4.419 4.181 556 HD2 HIS 68 HD2 HIS 68 10.261 -6.326 4.861 557 HE1 HIS 68 HE1 HIS 68 14.382 -6.326 5.777 558 H TYR 69 H TYR 69 10.594 -5.705 0.389 559 HA TYR 69 HA TYR 69 9.184 -3.464 -1.028 560 HB2 TYR 69 HB3 TYR 69 10.180 -6.115 -2.129 561 HB3 TYR 69 HB2 TYR 69 9.400 -4.836 -3.060 562 HD1 TYR 69 HD1 TYR 69 10.572 -2.776 -3.610 563 HD2 TYR 69 HD2 TYR 69 12.457 -5.828 -1.245 564 HE1 TYR 69 HE1 TYR 69 12.769 -1.670 -3.934 565 HE2 TYR 69 HE2 TYR 69 14.653 -4.723 -1.569 566 HH TYR 69 HH TYR 69 15.283 -2.528 -3.889 567 H MET 70 H MET 70 6.981 -3.630 -0.796 568 HA MET 70 HA MET 70 5.799 -6.357 -0.409 569 HB2 MET 70 HB3 MET 70 6.156 -4.990 1.711 570 HB3 MET 70 HB2 MET 70 4.982 -3.842 1.069 571 HG2 MET 70 HG3 MET 70 3.214 -5.245 1.425 572 HG3 MET 70 HG2 MET 70 4.148 -6.686 1.024 573 HE1 MET 70 HE1 MET 70 2.024 -6.351 3.022 574 HE2 MET 70 HE2 MET 70 2.397 -4.941 4.011 575 HE3 MET 70 HE3 MET 70 2.485 -6.552 4.719 576 H ARG 71 H ARG 71 3.920 -6.683 -1.578 577 HA ARG 71 HA ARG 71 2.561 -4.305 -2.784 578 HB2 ARG 71 HB3 ARG 71 3.211 -6.846 -4.299 579 HB3 ARG 71 HB2 ARG 71 2.697 -5.293 -4.957 580 HG2 ARG 71 HG3 ARG 71 4.799 -4.260 -4.290 581 HG3 ARG 71 HG2 ARG 71 5.310 -5.746 -3.489 582 HD2 ARG 71 HD3 ARG 71 4.595 -6.486 -6.133 583 HD3 ARG 71 HD2 ARG 71 5.603 -5.032 -6.265 584 HE ARG 71 HE ARG 71 6.934 -6.507 -4.369 585 HH11 ARG 71 HH11 ARG 71 5.666 -7.183 -7.509 586 HH12 ARG 71 HH12 ARG 71 6.863 -8.378 -7.877 587 HH21 ARG 71 HH21 ARG 71 8.502 -8.063 -4.840 588 HH22 ARG 71 HH22 ARG 71 8.465 -8.876 -6.369 589 H PHE 72 H PHE 72 0.308 -4.580 -2.956 590 HA PHE 72 HA PHE 72 -0.866 -7.269 -2.525 591 HB2 PHE 72 HB3 PHE 72 -2.125 -6.435 -0.551 592 HB3 PHE 72 HB2 PHE 72 -0.383 -6.358 -0.283 593 HD1 PHE 72 HD1 PHE 72 -3.443 -4.497 -0.347 594 HD2 PHE 72 HD2 PHE 72 0.811 -4.126 -0.820 595 HE1 PHE 72 HE1 PHE 72 -3.612 -2.056 0.052 596 HE2 PHE 72 HE2 PHE 72 0.641 -1.683 -0.419 597 HZ PHE 72 HZ PHE 72 -1.570 -0.649 0.016 598 H HIS 73 H HIS 73 -3.155 -7.307 -3.072 599 HA HIS 73 HA HIS 73 -3.960 -5.039 -4.839 600 HB2 HIS 73 HB3 HIS 73 -4.926 -7.899 -4.512 601 HB3 HIS 73 HB2 HIS 73 -5.572 -6.759 -5.691 602 HD1 HIS 73 HD1 HIS 73 -4.622 -8.615 -7.447 603 HD2 HIS 73 HD2 HIS 73 -1.762 -6.406 -5.365 604 HE1 HIS 73 HE1 HIS 73 -2.443 -8.897 -8.706 605 H VAL 74 H VAL 74 -6.229 -4.316 -4.725 606 HA VAL 74 HA VAL 74 -7.500 -4.753 -2.042 607 HB VAL 74 HB VAL 74 -7.232 -2.187 -3.643 608 HG11 VAL 74 HG11 VAL 74 -8.034 -2.220 -0.779 609 HG12 VAL 74 HG12 VAL 74 -9.240 -2.775 -1.940 610 HG13 VAL 74 HG13 VAL 74 -8.559 -1.154 -2.081 611 HG21 VAL 74 HG21 VAL 74 -5.328 -3.471 -2.063 612 HG22 VAL 74 HG22 VAL 74 -6.048 -2.286 -0.972 613 HG23 VAL 74 HG23 VAL 74 -5.329 -1.760 -2.494 614 H GLU 75 H GLU 75 -9.815 -4.762 -2.084 615 HA GLU 75 HA GLU 75 -11.045 -4.711 -4.822 616 HB2 GLU 75 HB3 GLU 75 -10.661 -6.865 -3.037 617 HB3 GLU 75 HB2 GLU 75 -12.378 -6.470 -2.948 618 HG2 GLU 75 HG3 GLU 75 -12.222 -6.382 -5.563 619 HG3 GLU 75 HG2 GLU 75 -10.763 -7.344 -5.328 620 H SER 76 H SER 76 -12.502 -3.055 -4.884 621 HA SER 76 HA SER 76 -13.987 -2.357 -2.375 622 HB2 SER 76 HB3 SER 76 -12.340 -0.759 -3.659 623 HB3 SER 76 HB2 SER 76 -13.687 -0.575 -4.780 624 HG SER 76 HG SER 76 -14.290 0.867 -3.355 625 H LYS 77 H LYS 77 -16.197 -1.265 -3.003 626 HA LYS 77 HA LYS 77 -17.736 -3.222 -4.527 627 HB2 LYS 77 HB3 LYS 77 -19.609 -1.723 -3.846 628 HB3 LYS 77 HB2 LYS 77 -18.563 -2.131 -2.485 629 HG2 LYS 77 HG3 LYS 77 -17.639 -0.006 -2.376 630 HG3 LYS 77 HG2 LYS 77 -17.943 0.325 -4.081 631 HD2 LYS 77 HD3 LYS 77 -20.119 0.083 -1.985 632 HD3 LYS 77 HD2 LYS 77 -19.444 1.615 -2.540 633 HE2 LYS 77 HE3 LYS 77 -20.586 1.537 -4.519 634 HE3 LYS 77 HE2 LYS 77 -20.325 -0.209 -4.704 635 HZ1 LYS 77 HZ1 LYS 77 -22.670 0.441 -4.179 636 HZ2 LYS 77 HZ2 LYS 77 -22.125 0.963 -2.657 637 HZ3 LYS 77 HZ3 LYS 77 -21.986 -0.671 -3.098 638 H LYS 78 H LYS 78 -16.097 -0.288 -5.275 639 HA LYS 78 HA LYS 78 -17.774 0.287 -7.655 640 HB2 LYS 78 HB3 LYS 78 -15.673 1.609 -6.016 641 HB3 LYS 78 HB2 LYS 78 -15.707 2.041 -7.725 642 HG2 LYS 78 HG3 LYS 78 -17.539 3.312 -7.429 643 HG3 LYS 78 HG2 LYS 78 -18.395 1.975 -6.660 644 HD2 LYS 78 HD3 LYS 78 -16.899 2.548 -4.590 645 HD3 LYS 78 HD2 LYS 78 -16.695 4.105 -5.392 646 HE2 LYS 78 HE3 LYS 78 -19.474 3.006 -5.139 647 HE3 LYS 78 HE2 LYS 78 -18.715 3.737 -3.710 648 HZ1 LYS 78 HZ1 LYS 78 -18.507 5.075 -6.323 649 HZ2 LYS 78 HZ2 LYS 78 -18.434 5.749 -4.765 650 HZ3 LYS 78 HZ3 LYS 78 -19.925 5.255 -5.410 651 H LYS 79 H LYS 79 -14.666 -1.109 -6.777 652 HA LYS 79 HA LYS 79 -14.314 -2.546 -9.196 653 HB2 LYS 79 HB3 LYS 79 -12.463 -0.971 -10.128 654 HB3 LYS 79 HB2 LYS 79 -14.144 -0.512 -10.397 655 HG2 LYS 79 HG3 LYS 79 -14.092 1.120 -8.681 656 HG3 LYS 79 HG2 LYS 79 -12.614 0.457 -7.981 657 HD2 LYS 79 HD3 LYS 79 -11.442 1.929 -9.216 658 HD3 LYS 79 HD2 LYS 79 -11.978 1.068 -10.660 659 HE2 LYS 79 HE3 LYS 79 -14.038 2.861 -9.568 660 HE3 LYS 79 HE2 LYS 79 -12.574 3.708 -10.107 661 HZ1 LYS 79 HZ1 LYS 79 -12.668 2.616 -12.200 662 HZ2 LYS 79 HZ2 LYS 79 -14.215 3.256 -11.913 663 HZ3 LYS 79 HZ3 LYS 79 -13.927 1.596 -11.695 664 H ILE 80 H ILE 80 -11.687 -2.839 -9.509 665 HA ILE 80 HA ILE 80 -10.641 -3.324 -6.740 666 HB ILE 80 HB ILE 80 -10.197 -4.770 -9.370 667 HG12 ILE 80 HG13 ILE 80 -11.289 -6.400 -7.294 668 HG13 ILE 80 HG12 ILE 80 -12.254 -4.927 -7.386 669 HG21 ILE 80 HG21 ILE 80 -8.446 -5.815 -8.412 670 HG22 ILE 80 HG22 ILE 80 -9.408 -6.204 -6.986 671 HG23 ILE 80 HG23 ILE 80 -8.553 -4.664 -7.080 672 HD11 ILE 80 HD11 ILE 80 -13.215 -5.625 -9.295 673 HD12 ILE 80 HD12 ILE 80 -12.357 -7.156 -9.126 674 HD13 ILE 80 HD13 ILE 80 -11.635 -5.838 -10.048 675 H ALA 81 H ALA 81 -8.537 -2.647 -6.290 676 HA ALA 81 HA ALA 81 -7.036 -1.304 -8.511 677 HB1 ALA 81 HB1 ALA 81 -7.290 0.638 -7.392 678 HB2 ALA 81 HB2 ALA 81 -6.555 -0.078 -5.956 679 HB3 ALA 81 HB3 ALA 81 -8.296 -0.198 -6.210 680 H LEU 82 H LEU 82 -4.696 -1.238 -8.154 681 HA LEU 82 HA LEU 82 -3.737 -3.424 -6.337 682 HB2 LEU 82 HB3 LEU 82 -3.342 -4.040 -8.587 683 HB3 LEU 82 HB2 LEU 82 -2.923 -2.392 -9.055 684 HG LEU 82 HG LEU 82 -0.860 -2.520 -7.728 685 HD11 LEU 82 HD11 LEU 82 -2.231 -4.734 -6.540 686 HD12 LEU 82 HD12 LEU 82 -0.692 -4.020 -6.061 687 HD13 LEU 82 HD13 LEU 82 -0.726 -5.330 -7.240 688 HD21 LEU 82 HD21 LEU 82 -1.366 -3.796 -10.127 689 HD22 LEU 82 HD22 LEU 82 -0.597 -5.065 -9.174 690 HD23 LEU 82 HD23 LEU 82 0.236 -3.533 -9.438 691 H VAL 83 H VAL 83 -2.263 -2.812 -4.763 692 HA VAL 83 HA VAL 83 -1.129 -0.040 -4.967 693 HB VAL 83 HB VAL 83 -1.969 -1.671 -2.551 694 HG11 VAL 83 HG11 VAL 83 -1.735 0.804 -1.596 695 HG12 VAL 83 HG12 VAL 83 -0.573 0.949 -2.913 696 HG13 VAL 83 HG13 VAL 83 -0.344 -0.279 -1.667 697 HG21 VAL 83 HG21 VAL 83 -3.224 0.899 -3.497 698 HG22 VAL 83 HG22 VAL 83 -3.912 -0.354 -2.465 699 HG23 VAL 83 HG23 VAL 83 -3.727 -0.642 -4.195 700 H HIS 84 H HIS 84 1.065 0.022 -5.039 701 HA HIS 84 HA HIS 84 2.609 -2.279 -3.882 702 HB2 HIS 84 HB3 HIS 84 2.741 -2.406 -6.263 703 HB3 HIS 84 HB2 HIS 84 2.933 -0.660 -6.416 704 HD1 HIS 84 HD1 HIS 84 4.886 -2.380 -3.760 705 HD2 HIS 84 HD2 HIS 84 5.500 -1.102 -7.679 706 HE1 HIS 84 HE1 HIS 84 7.384 -2.470 -4.160 707 H LEU 85 H LEU 85 4.024 -1.611 -2.296 708 HA LEU 85 HA LEU 85 4.837 1.279 -2.290 709 HB2 LEU 85 HB3 LEU 85 4.518 1.238 0.124 710 HB3 LEU 85 HB2 LEU 85 3.047 0.649 -0.652 711 HG LEU 85 HG LEU 85 4.199 -1.705 -0.389 712 HD11 LEU 85 HD11 LEU 85 6.006 0.065 1.003 713 HD12 LEU 85 HD12 LEU 85 6.161 -1.669 0.717 714 HD13 LEU 85 HD13 LEU 85 5.302 -1.084 2.142 715 HD21 LEU 85 HD21 LEU 85 2.495 -1.928 1.067 716 HD22 LEU 85 HD22 LEU 85 2.363 -0.171 1.147 717 HD23 LEU 85 HD23 LEU 85 3.396 -1.030 2.289 718 H GLU 86 H GLU 86 6.948 1.712 -1.574 719 HA GLU 86 HA GLU 86 8.729 -0.673 -1.175 720 HB2 GLU 86 HB3 GLU 86 8.756 1.641 -2.970 721 HB3 GLU 86 HB2 GLU 86 10.265 1.481 -2.071 722 HG2 GLU 86 HG3 GLU 86 10.169 -1.015 -2.734 723 HG3 GLU 86 HG2 GLU 86 8.969 -0.513 -3.925 724 H ALA 87 H ALA 87 9.847 -0.643 0.772 725 HA ALA 87 HA ALA 87 9.877 1.952 2.281 726 HB1 ALA 87 HB1 ALA 87 8.937 0.824 4.001 727 HB2 ALA 87 HB2 ALA 87 10.119 -0.478 3.870 728 HB3 ALA 87 HB3 ALA 87 8.668 -0.500 2.867 729 H LYS 88 H LYS 88 11.744 2.375 3.560 730 HA LYS 88 HA LYS 88 14.147 0.680 2.972 731 HB2 LYS 88 HB3 LYS 88 14.290 2.619 1.584 732 HB3 LYS 88 HB2 LYS 88 13.701 3.672 2.869 733 HG2 LYS 88 HG3 LYS 88 15.798 3.013 4.177 734 HG3 LYS 88 HG2 LYS 88 16.394 2.312 2.673 735 HD2 LYS 88 HD3 LYS 88 17.256 4.539 2.732 736 HD3 LYS 88 HD2 LYS 88 15.913 4.575 1.588 737 HE2 LYS 88 HE3 LYS 88 14.525 5.761 3.046 738 HE3 LYS 88 HE2 LYS 88 15.383 5.186 4.489 739 HZ1 LYS 88 HZ1 LYS 88 17.335 6.414 3.079 740 HZ2 LYS 88 HZ2 LYS 88 16.477 7.123 4.363 741 HZ3 LYS 88 HZ3 LYS 88 16.000 7.411 2.758 742 H GLU 89 H GLU 89 15.554 0.418 4.772 743 HA GLU 89 HA GLU 89 14.389 1.111 7.386 744 HB2 GLU 89 HB3 GLU 89 15.927 -0.483 8.215 745 HB3 GLU 89 HB2 GLU 89 15.520 -1.093 6.613 746 HG2 GLU 89 HG3 GLU 89 17.576 -0.348 5.685 747 HG3 GLU 89 HG2 GLU 89 17.914 0.701 7.061 748 H SER 90 H SER 90 15.209 2.634 8.801 749 HA SER 90 HA SER 90 17.541 4.259 7.840 750 HB2 SER 90 HB3 SER 90 14.861 4.885 9.001 751 HB3 SER 90 HB2 SER 90 16.196 5.951 9.430 752 HG SER 90 HG SER 90 15.372 6.750 7.560 753 H LYS 91 H LYS 91 19.245 4.406 9.282 754 HA LYS 91 HA LYS 91 20.449 4.231 11.317 755 HB2 LYS 91 HB3 LYS 91 17.821 5.082 11.913 756 HB3 LYS 91 HB2 LYS 91 18.181 3.807 13.075 757 HG2 LYS 91 HG3 LYS 91 19.741 6.351 12.574 758 HG3 LYS 91 HG2 LYS 91 18.954 5.844 14.067 759 HD2 LYS 91 HD3 LYS 91 20.811 3.803 13.227 760 HD3 LYS 91 HD2 LYS 91 21.634 5.361 13.287 761 HE2 LYS 91 HE3 LYS 91 21.227 5.637 15.578 762 HE3 LYS 91 HE2 LYS 91 19.835 4.535 15.561 763 HZ1 LYS 91 HZ1 LYS 91 22.698 3.824 15.222 764 HZ2 LYS 91 HZ2 LYS 91 21.422 2.748 14.904 765 HZ3 LYS 91 HZ3 LYS 91 21.663 3.342 16.477 766 H GLN 92 H GLN 92 19.451 2.580 13.594 767 HA GLN 92 HA GLN 92 20.493 0.045 12.857 768 HB2 GLN 92 HB3 GLN 92 19.720 -0.610 15.048 769 HB3 GLN 92 HB2 GLN 92 20.195 1.085 15.151 770 HG2 GLN 92 HG3 GLN 92 17.946 1.833 15.133 771 HG3 GLN 92 HG2 GLN 92 17.346 0.276 14.560 772 HE21 GLN 92 HE21 GLN 92 19.694 0.877 17.209 773 HE22 GLN 92 HE22 GLN 92 18.738 0.172 18.422 774 H ASN 93 H ASN 93 18.816 -1.955 13.521 775 HA ASN 93 HA ASN 93 17.071 -2.186 11.219 776 HB2 ASN 93 HB3 ASN 93 18.438 -3.921 12.666 777 HB3 ASN 93 HB2 ASN 93 16.961 -3.972 13.631 778 HD21 ASN 93 HD21 ASN 93 14.979 -3.729 11.658 779 HD22 ASN 93 HD22 ASN 93 15.061 -5.054 10.602 780 H TYR 94 H TYR 94 15.912 -0.043 12.083 781 HA TYR 94 HA TYR 94 13.839 -0.624 14.124 782 HB2 TYR 94 HB3 TYR 94 15.328 1.591 13.336 783 HB3 TYR 94 HB2 TYR 94 13.723 1.922 12.682 784 HD1 TYR 94 HD1 TYR 94 12.165 2.947 14.079 785 HD2 TYR 94 HD2 TYR 94 15.306 0.589 15.814 786 HE1 TYR 94 HE1 TYR 94 11.365 3.551 16.347 787 HE2 TYR 94 HE2 TYR 94 14.507 1.193 18.083 788 HH TYR 94 HH TYR 94 11.627 2.268 18.790 789 H GLN 95 H GLN 95 11.817 1.064 12.996 790 HA GLN 95 HA GLN 95 10.480 -0.830 11.236 791 HB2 GLN 95 HB3 GLN 95 9.852 1.996 12.156 792 HB3 GLN 95 HB2 GLN 95 8.713 0.949 11.310 793 HG2 GLN 95 HG3 GLN 95 8.244 -0.218 13.187 794 HG3 GLN 95 HG2 GLN 95 9.952 -0.386 13.596 795 HE21 GLN 95 HE21 GLN 95 7.779 2.490 13.304 796 HE22 GLN 95 HE22 GLN 95 8.154 3.108 14.841 797 HA PRO 96 HA PRO 96 12.232 0.775 7.474 798 HB2 PRO 96 HB3 PRO 96 9.916 -0.540 6.188 799 HB3 PRO 96 HB2 PRO 96 11.647 -0.846 5.961 800 HG2 PRO 96 HG3 PRO 96 10.032 -2.559 7.263 801 HG3 PRO 96 HG2 PRO 96 11.743 -2.359 7.666 802 HD2 PRO 96 HD3 PRO 96 9.338 -1.365 9.103 803 HD3 PRO 96 HD2 PRO 96 10.909 -1.896 9.746 804 H ASP 97 H ASP 97 11.611 2.414 5.910 805 HA ASP 97 HA ASP 97 8.996 3.756 6.530 806 HB2 ASP 97 HB3 ASP 97 11.603 5.000 5.604 807 HB3 ASP 97 HB2 ASP 97 10.174 5.850 6.191 808 H PHE 98 H PHE 98 7.634 3.871 4.789 809 HA PHE 98 HA PHE 98 8.238 2.835 2.208 810 HB2 PHE 98 HB3 PHE 98 6.149 4.831 3.141 811 HB3 PHE 98 HB2 PHE 98 6.083 3.941 1.620 812 HD1 PHE 98 HD1 PHE 98 7.288 1.330 2.724 813 HD2 PHE 98 HD2 PHE 98 4.154 3.906 4.136 814 HE1 PHE 98 HE1 PHE 98 6.235 -0.589 3.884 815 HE2 PHE 98 HE2 PHE 98 3.100 1.984 5.298 816 HZ PHE 98 HZ PHE 98 4.141 -0.263 5.171 817 H ILE 99 H ILE 99 9.035 3.818 0.354 818 HA ILE 99 HA ILE 99 9.751 6.727 0.559 819 HB ILE 99 HB ILE 99 11.606 5.904 -1.095 820 HG12 ILE 99 HG13 ILE 99 10.832 3.297 0.257 821 HG13 ILE 99 HG12 ILE 99 10.558 3.667 -1.447 822 HG21 ILE 99 HG21 ILE 99 11.429 5.385 1.864 823 HG22 ILE 99 HG22 ILE 99 12.344 6.626 1.009 824 HG23 ILE 99 HG23 ILE 99 12.888 4.950 0.974 825 HD11 ILE 99 HD11 ILE 99 12.891 2.571 -0.303 826 HD12 ILE 99 HD12 ILE 99 13.303 4.232 -0.733 827 HD13 ILE 99 HD13 ILE 99 12.682 3.131 -1.963 828 H ASN 100 H ASN 100 8.285 4.191 -1.330 829 HA ASN 100 HA ASN 100 7.340 6.218 -3.293 830 HB2 ASN 100 HB3 ASN 100 8.962 3.724 -3.857 831 HB3 ASN 100 HB2 ASN 100 7.992 4.510 -5.103 832 HD21 ASN 100 HD21 ASN 100 11.103 4.387 -4.011 833 HD22 ASN 100 HD22 ASN 100 11.617 5.954 -4.414 834 H MET 101 H MET 101 5.164 5.853 -3.655 835 HA MET 101 HA MET 101 4.120 3.071 -3.512 836 HB2 MET 101 HB3 MET 101 4.098 4.133 -1.228 837 HB3 MET 101 HB2 MET 101 3.007 5.362 -1.868 838 HG2 MET 101 HG3 MET 101 1.288 3.789 -2.281 839 HG3 MET 101 HG2 MET 101 2.394 2.423 -2.150 840 HE1 MET 101 HE1 MET 101 0.870 1.335 -1.082 841 HE2 MET 101 HE2 MET 101 -0.290 2.053 0.033 842 HE3 MET 101 HE3 MET 101 1.039 1.083 0.661 843 H TYR 102 H TYR 102 2.577 2.774 -5.064 844 HA TYR 102 HA TYR 102 0.908 5.064 -5.956 845 HB2 TYR 102 HB3 TYR 102 1.609 4.830 -8.252 846 HB3 TYR 102 HB2 TYR 102 3.075 4.944 -7.280 847 HD1 TYR 102 HD1 TYR 102 0.797 2.567 -9.011 848 HD2 TYR 102 HD2 TYR 102 4.632 3.145 -7.163 849 HE1 TYR 102 HE1 TYR 102 1.548 0.370 -9.883 850 HE2 TYR 102 HE2 TYR 102 5.382 0.947 -8.034 851 HH TYR 102 HH TYR 102 3.168 -1.286 -9.538 852 H VAL 103 H VAL 103 -1.011 4.324 -7.122 853 HA VAL 103 HA VAL 103 -1.518 1.384 -6.807 854 HB VAL 103 HB VAL 103 -2.688 2.987 -5.236 855 HG11 VAL 103 HG11 VAL 103 -4.049 3.829 -7.811 856 HG12 VAL 103 HG12 VAL 103 -2.971 4.834 -6.843 857 HG13 VAL 103 HG13 VAL 103 -4.530 4.330 -6.190 858 HG21 VAL 103 HG21 VAL 103 -4.382 1.386 -7.177 859 HG22 VAL 103 HG22 VAL 103 -4.948 1.985 -5.618 860 HG23 VAL 103 HG23 VAL 103 -3.652 0.790 -5.686 861 H ASP 104 H ASP 104 -2.484 0.338 -8.560 862 HA ASP 104 HA ASP 104 -2.751 1.951 -11.064 863 HB2 ASP 104 HB3 ASP 104 -1.238 -0.192 -10.591 864 HB3 ASP 104 HB2 ASP 104 -2.738 -1.045 -10.953 865 H VAL 105 H VAL 105 -4.863 2.503 -11.475 866 HA VAL 105 HA VAL 105 -7.017 0.589 -10.655 867 HB VAL 105 HB VAL 105 -7.290 3.513 -11.388 868 HG11 VAL 105 HG11 VAL 105 -8.922 1.561 -9.740 869 HG12 VAL 105 HG12 VAL 105 -9.384 2.310 -11.268 870 HG13 VAL 105 HG13 VAL 105 -9.245 3.292 -9.810 871 HG21 VAL 105 HG21 VAL 105 -6.226 2.230 -8.908 872 HG22 VAL 105 HG22 VAL 105 -7.326 3.595 -8.707 873 HG23 VAL 105 HG23 VAL 105 -5.831 3.794 -9.621 874 HA PRO 106 HA PRO 106 -7.489 -0.158 -15.001 875 HB2 PRO 106 HB3 PRO 106 -9.945 -1.426 -14.803 876 HB3 PRO 106 HB2 PRO 106 -8.383 -2.221 -14.536 877 HG2 PRO 106 HG3 PRO 106 -10.366 -1.240 -12.568 878 HG3 PRO 106 HG2 PRO 106 -9.268 -2.625 -12.477 879 HD2 PRO 106 HD3 PRO 106 -8.862 -0.268 -11.155 880 HD3 PRO 106 HD2 PRO 106 -7.557 -1.377 -11.631 881 H GLY 107 H GLY 107 -8.232 1.336 -16.458 882 HA2 GLY 107 HA3 GLY 107 -9.842 2.694 -17.563 883 HA3 GLY 107 HA2 GLY 107 -10.966 2.391 -16.241 884 H GLU 108 H GLU 108 -8.601 3.174 -14.372 885 HA GLU 108 HA GLU 108 -9.045 6.128 -14.639 886 HB2 GLU 108 HB3 GLU 108 -9.280 4.171 -12.488 887 HB3 GLU 108 HB2 GLU 108 -8.244 5.524 -12.028 888 HG2 GLU 108 HG3 GLU 108 -9.949 7.108 -12.358 889 HG3 GLU 108 HG2 GLU 108 -10.888 6.020 -13.381 890 H LYS 109 H LYS 109 -7.219 7.471 -13.807 891 HA LYS 109 HA LYS 109 -4.646 6.500 -14.814 892 HB2 LYS 109 HB3 LYS 109 -5.743 8.837 -14.975 893 HB3 LYS 109 HB2 LYS 109 -5.221 9.056 -13.306 894 HG2 LYS 109 HG3 LYS 109 -3.038 9.291 -13.890 895 HG3 LYS 109 HG2 LYS 109 -3.128 8.006 -15.096 896 HD2 LYS 109 HD3 LYS 109 -4.731 10.028 -16.151 897 HD3 LYS 109 HD2 LYS 109 -3.361 10.891 -15.454 898 HE2 LYS 109 HE3 LYS 109 -2.434 8.518 -16.839 899 HE3 LYS 109 HE2 LYS 109 -3.398 9.538 -17.926 900 HZ1 LYS 109 HZ1 LYS 109 -1.376 10.590 -18.030 901 HZ2 LYS 109 HZ2 LYS 109 -0.958 10.208 -16.429 902 HZ3 LYS 109 HZ3 LYS 109 -2.089 11.437 -16.746 903 H ARG 110 H ARG 110 -3.097 5.532 -13.551 904 HA ARG 110 HA ARG 110 -3.415 4.786 -10.861 905 HB2 ARG 110 HB3 ARG 110 -0.980 4.367 -10.978 906 HB3 ARG 110 HB2 ARG 110 -1.770 3.874 -12.476 907 HG2 ARG 110 HG3 ARG 110 -1.146 6.582 -12.852 908 HG3 ARG 110 HG2 ARG 110 0.274 5.896 -12.061 909 HD2 ARG 110 HD3 ARG 110 -0.334 3.937 -13.901 910 HD3 ARG 110 HD2 ARG 110 -0.754 5.420 -14.781 911 HE ARG 110 HE ARG 110 1.530 6.047 -14.727 912 HH11 ARG 110 HH11 ARG 110 0.826 3.495 -12.507 913 HH12 ARG 110 HH12 ARG 110 2.487 3.218 -12.102 914 HH21 ARG 110 HH21 ARG 110 3.698 5.693 -14.203 915 HH22 ARG 110 HH22 ARG 110 4.108 4.459 -13.058 916 H TYR 111 H TYR 111 -2.997 5.812 -8.909 917 HA TYR 111 HA TYR 111 -2.003 8.642 -9.057 918 HB2 TYR 111 HB3 TYR 111 -4.454 7.725 -8.289 919 HB3 TYR 111 HB2 TYR 111 -3.610 7.724 -6.740 920 HD1 TYR 111 HD1 TYR 111 -4.130 9.886 -9.759 921 HD2 TYR 111 HD2 TYR 111 -3.457 9.713 -5.520 922 HE1 TYR 111 HE1 TYR 111 -4.384 12.349 -9.618 923 HE2 TYR 111 HE2 TYR 111 -3.711 12.176 -5.380 924 HH TYR 111 HH TYR 111 -3.673 14.185 -8.107 925 H TYR 112 H TYR 112 -0.137 9.028 -7.930 926 HA TYR 112 HA TYR 112 1.096 6.876 -6.364 927 HB2 TYR 112 HB3 TYR 112 3.013 8.294 -6.458 928 HB3 TYR 112 HB2 TYR 112 2.189 8.534 -7.997 929 HD1 TYR 112 HD1 TYR 112 2.729 9.978 -4.615 930 HD2 TYR 112 HD2 TYR 112 1.235 10.648 -8.587 931 HE1 TYR 112 HE1 TYR 112 2.521 12.402 -4.129 932 HE2 TYR 112 HE2 TYR 112 1.026 13.071 -8.099 933 HH TYR 112 HH TYR 112 0.717 14.477 -5.883 934 H LEU 113 H LEU 113 1.332 6.852 -4.119 935 HA LEU 113 HA LEU 113 -0.261 8.875 -2.609 936 HB2 LEU 113 HB3 LEU 113 -0.198 6.119 -2.613 937 HB3 LEU 113 HB2 LEU 113 0.818 6.510 -1.224 938 HG LEU 113 HG LEU 113 -1.246 8.262 -0.868 939 HD11 LEU 113 HD11 LEU 113 -2.913 7.633 -2.281 940 HD12 LEU 113 HD12 LEU 113 -3.154 6.304 -1.147 941 HD13 LEU 113 HD13 LEU 113 -2.175 6.061 -2.594 942 HD21 LEU 113 HD21 LEU 113 -1.918 6.815 0.935 943 HD22 LEU 113 HD22 LEU 113 -0.178 6.605 0.736 944 HD23 LEU 113 HD23 LEU 113 -1.290 5.391 0.104 945 H ILE 114 H ILE 114 2.991 7.581 -2.992 946 HA ILE 114 HA ILE 114 3.937 9.349 -0.763 947 HB ILE 114 HB ILE 114 4.961 6.818 -2.059 948 HG12 ILE 114 HG13 ILE 114 4.318 7.566 0.812 949 HG13 ILE 114 HG12 ILE 114 3.266 6.634 -0.254 950 HG21 ILE 114 HG21 ILE 114 6.932 7.023 -0.560 951 HG22 ILE 114 HG22 ILE 114 6.392 8.638 -0.097 952 HG23 ILE 114 HG23 ILE 114 6.881 8.314 -1.760 953 HD11 ILE 114 HD11 ILE 114 5.629 5.265 -0.488 954 HD12 ILE 114 HD12 ILE 114 4.331 4.829 0.625 955 HD13 ILE 114 HD13 ILE 114 5.695 5.794 1.193 956 H LYS 115 H LYS 115 4.820 8.236 -4.057 957 HA LYS 115 HA LYS 115 7.033 9.774 -4.640 958 HB2 LYS 115 HB3 LYS 115 4.550 9.326 -6.328 959 HB3 LYS 115 HB2 LYS 115 6.121 9.813 -6.965 960 HG2 LYS 115 HG3 LYS 115 6.743 7.621 -5.388 961 HG3 LYS 115 HG2 LYS 115 5.201 7.164 -6.115 962 HD2 LYS 115 HD3 LYS 115 7.256 8.417 -7.887 963 HD3 LYS 115 HD2 LYS 115 7.512 6.745 -7.384 964 HE2 LYS 115 HE3 LYS 115 6.043 6.087 -8.975 965 HE3 LYS 115 HE2 LYS 115 4.767 6.981 -8.124 966 HZ1 LYS 115 HZ1 LYS 115 4.845 8.098 -10.120 967 HZ2 LYS 115 HZ2 LYS 115 6.519 7.882 -10.312 968 HZ3 LYS 115 HZ3 LYS 115 5.927 9.021 -9.199 Start of MODEL 9 1 H1 GLY 1 H GLY 1 1.388 -11.093 12.822 2 HA2 GLY 1 HA3 GLY 1 3.249 -12.813 13.688 3 HA3 GLY 1 HA2 GLY 1 3.535 -12.937 11.951 4 H SER 2 H SER 2 3.689 -10.643 10.865 5 HA SER 2 HA SER 2 4.704 -8.463 12.506 6 HB2 SER 2 HB3 SER 2 7.043 -8.707 11.937 7 HB3 SER 2 HB2 SER 2 6.497 -10.253 12.580 8 HG SER 2 HG SER 2 7.710 -10.006 10.395 9 H ASP 3 H ASP 3 5.411 -9.839 9.264 10 HA ASP 3 HA ASP 3 5.446 -7.355 7.877 11 HB2 ASP 3 HB3 ASP 3 4.980 -8.921 5.900 12 HB3 ASP 3 HB2 ASP 3 6.372 -9.335 6.901 13 H THR 4 H THR 4 2.769 -9.578 8.615 14 HA THR 4 HA THR 4 0.742 -8.510 6.976 15 HB THR 4 HB THR 4 0.673 -9.590 9.811 16 HG1 THR 4 HG1 THR 4 1.514 -10.856 7.956 17 HG21 THR 4 HG21 THR 4 -1.434 -8.581 8.045 18 HG22 THR 4 HG22 THR 4 -1.495 -8.953 9.768 19 HG23 THR 4 HG23 THR 4 -1.718 -10.237 8.580 20 H GLN 5 H GLN 5 1.555 -7.538 10.336 21 HA GLN 5 HA GLN 5 -0.292 -5.412 10.596 22 HB2 GLN 5 HB3 GLN 5 2.542 -5.685 11.657 23 HB3 GLN 5 HB2 GLN 5 1.293 -4.641 12.336 24 HG2 GLN 5 HG3 GLN 5 -0.124 -6.798 12.529 25 HG3 GLN 5 HG2 GLN 5 1.400 -7.655 12.298 26 HE21 GLN 5 HE21 GLN 5 2.378 -8.178 14.252 27 HE22 GLN 5 HE22 GLN 5 2.275 -7.259 15.675 28 H LEU 6 H LEU 6 2.815 -5.552 8.936 29 HA LEU 6 HA LEU 6 3.262 -2.743 8.601 30 HB2 LEU 6 HB3 LEU 6 4.580 -5.063 8.082 31 HB3 LEU 6 HB2 LEU 6 4.059 -4.630 6.453 32 HG LEU 6 HG LEU 6 4.939 -2.221 7.265 33 HD11 LEU 6 HD11 LEU 6 7.254 -3.450 8.375 34 HD12 LEU 6 HD12 LEU 6 5.862 -4.053 9.273 35 HD13 LEU 6 HD13 LEU 6 6.151 -2.318 9.158 36 HD21 LEU 6 HD21 LEU 6 7.203 -3.905 6.480 37 HD22 LEU 6 HD22 LEU 6 6.440 -2.576 5.607 38 HD23 LEU 6 HD23 LEU 6 5.765 -4.203 5.503 39 H PHE 7 H PHE 7 1.496 -5.127 6.622 40 HA PHE 7 HA PHE 7 0.848 -3.215 4.523 41 HB2 PHE 7 HB3 PHE 7 0.521 -5.221 3.530 42 HB3 PHE 7 HB2 PHE 7 0.695 -6.029 5.082 43 HD1 PHE 7 HD1 PHE 7 -1.071 -7.417 5.678 44 HD2 PHE 7 HD2 PHE 7 -1.884 -3.891 3.360 45 HE1 PHE 7 HE1 PHE 7 -3.481 -7.998 5.638 46 HE2 PHE 7 HE2 PHE 7 -4.293 -4.475 3.320 47 HZ PHE 7 HZ PHE 7 -5.092 -6.528 4.458 48 H ASN 8 H ASN 8 -0.797 -4.465 7.413 49 HA ASN 8 HA ASN 8 -3.405 -3.481 6.979 50 HB2 ASN 8 HB3 ASN 8 -1.632 -4.064 9.317 51 HB3 ASN 8 HB2 ASN 8 -3.153 -3.228 9.629 52 HD21 ASN 8 HD21 ASN 8 -1.752 -6.265 8.443 53 HD22 ASN 8 HD22 ASN 8 -3.199 -7.149 8.483 54 H ARG 9 H ARG 9 -0.610 -1.798 8.462 55 HA ARG 9 HA ARG 9 -2.056 0.681 8.858 56 HB2 ARG 9 HB3 ARG 9 0.168 1.496 9.497 57 HB3 ARG 9 HB2 ARG 9 -0.098 -0.109 10.178 58 HG2 ARG 9 HG3 ARG 9 1.205 -1.137 8.402 59 HG3 ARG 9 HG2 ARG 9 1.371 0.415 7.578 60 HD2 ARG 9 HD3 ARG 9 2.244 0.452 10.401 61 HD3 ARG 9 HD2 ARG 9 3.229 -0.570 9.335 62 HE ARG 9 HE ARG 9 2.912 1.677 7.814 63 HH11 ARG 9 HH11 ARG 9 3.806 1.151 11.112 64 HH12 ARG 9 HH12 ARG 9 4.801 2.565 11.199 65 HH21 ARG 9 HH21 ARG 9 4.211 3.519 7.922 66 HH22 ARG 9 HH22 ARG 9 5.031 3.901 9.398 67 H ALA 10 H ALA 10 0.090 -0.583 6.327 68 HA ALA 10 HA ALA 10 0.454 1.868 4.880 69 HB1 ALA 10 HB1 ALA 10 1.917 0.143 4.316 70 HB2 ALA 10 HB2 ALA 10 0.761 0.030 2.989 71 HB3 ALA 10 HB3 ALA 10 0.647 -1.080 4.355 72 H VAL 11 H VAL 11 -1.996 -0.716 4.620 73 HA VAL 11 HA VAL 11 -3.350 0.438 2.349 74 HB VAL 11 HB VAL 11 -3.273 -1.952 3.668 75 HG11 VAL 11 HG11 VAL 11 -5.587 -2.360 4.529 76 HG12 VAL 11 HG12 VAL 11 -5.895 -0.627 4.418 77 HG13 VAL 11 HG13 VAL 11 -4.666 -1.235 5.528 78 HG21 VAL 11 HG21 VAL 11 -4.210 -2.489 1.710 79 HG22 VAL 11 HG22 VAL 11 -4.600 -0.792 1.437 80 HG23 VAL 11 HG23 VAL 11 -5.755 -1.842 2.258 81 H SER 12 H SER 12 -3.702 0.744 5.858 82 HA SER 12 HA SER 12 -6.224 1.960 6.067 83 HB2 SER 12 HB3 SER 12 -4.119 1.377 7.705 84 HB3 SER 12 HB2 SER 12 -4.026 3.136 7.668 85 HG SER 12 HG SER 12 -5.426 2.462 9.307 86 H MET 13 H MET 13 -3.077 3.578 5.495 87 HA MET 13 HA MET 13 -4.260 6.204 5.169 88 HB2 MET 13 HB3 MET 13 -2.017 6.851 4.641 89 HB3 MET 13 HB2 MET 13 -1.873 5.557 5.829 90 HG2 MET 13 HG3 MET 13 -0.441 4.638 4.324 91 HG3 MET 13 HG2 MET 13 -1.908 4.135 3.489 92 HE1 MET 13 HE1 MET 13 0.103 8.121 3.022 93 HE2 MET 13 HE2 MET 13 1.289 6.820 3.024 94 HE3 MET 13 HE3 MET 13 0.153 6.968 4.362 95 H VAL 14 H VAL 14 -3.545 3.527 3.001 96 HA VAL 14 HA VAL 14 -3.819 5.047 0.540 97 HB VAL 14 HB VAL 14 -3.766 2.141 1.356 98 HG11 VAL 14 HG11 VAL 14 -3.455 2.293 -1.438 99 HG12 VAL 14 HG12 VAL 14 -4.887 3.256 -1.072 100 HG13 VAL 14 HG13 VAL 14 -4.803 1.570 -0.561 101 HG21 VAL 14 HG21 VAL 14 -1.770 2.558 -0.446 102 HG22 VAL 14 HG22 VAL 14 -1.571 2.780 1.292 103 HG23 VAL 14 HG23 VAL 14 -1.903 4.169 0.258 104 H GLU 15 H GLU 15 -5.990 2.883 2.390 105 HA GLU 15 HA GLU 15 -8.209 3.234 0.529 106 HB2 GLU 15 HB3 GLU 15 -9.367 1.836 2.126 107 HB3 GLU 15 HB2 GLU 15 -7.709 1.244 2.016 108 HG2 GLU 15 HG3 GLU 15 -7.228 2.834 4.006 109 HG3 GLU 15 HG2 GLU 15 -8.980 2.870 4.213 110 H LYS 16 H LYS 16 -7.019 4.931 3.341 111 HA LYS 16 HA LYS 16 -9.586 6.401 3.672 112 HB2 LYS 16 HB3 LYS 16 -8.668 7.055 5.767 113 HB3 LYS 16 HB2 LYS 16 -8.116 5.396 5.545 114 HG2 LYS 16 HG3 LYS 16 -6.080 6.320 6.043 115 HG3 LYS 16 HG2 LYS 16 -6.093 6.707 4.322 116 HD2 LYS 16 HD3 LYS 16 -5.952 8.885 4.867 117 HD3 LYS 16 HD2 LYS 16 -7.559 8.763 5.584 118 HE2 LYS 16 HE3 LYS 16 -6.732 8.775 7.710 119 HE3 LYS 16 HE2 LYS 16 -5.388 7.697 7.286 120 HZ1 LYS 16 HZ1 LYS 16 -5.609 10.611 6.792 121 HZ2 LYS 16 HZ2 LYS 16 -4.476 9.635 5.984 122 HZ3 LYS 16 HZ3 LYS 16 -4.414 9.793 7.675 123 H ASN 17 H ASN 17 -6.541 6.698 2.120 124 HA ASN 17 HA ASN 17 -5.849 9.389 2.192 125 HB2 ASN 17 HB3 ASN 17 -5.305 7.126 0.663 126 HB3 ASN 17 HB2 ASN 17 -5.909 8.287 -0.520 127 HD21 ASN 17 HD21 ASN 17 -4.594 10.127 -1.004 128 HD22 ASN 17 HD22 ASN 17 -3.051 10.358 -0.337 129 H LYS 18 H LYS 18 -7.063 11.208 1.849 130 HA LYS 18 HA LYS 18 -9.712 11.192 0.749 131 HB2 LYS 18 HB3 LYS 18 -9.395 13.665 0.847 132 HB3 LYS 18 HB2 LYS 18 -8.853 12.869 2.326 133 HG2 LYS 18 HG3 LYS 18 -6.540 12.786 0.999 134 HG3 LYS 18 HG2 LYS 18 -7.242 14.179 0.176 135 HD2 LYS 18 HD3 LYS 18 -7.131 15.503 2.036 136 HD3 LYS 18 HD2 LYS 18 -7.498 14.170 3.131 137 HE2 LYS 18 HE3 LYS 18 -5.257 13.441 3.200 138 HE3 LYS 18 HE2 LYS 18 -4.840 14.291 1.698 139 HZ1 LYS 18 HZ1 LYS 18 -4.111 15.845 3.160 140 HZ2 LYS 18 HZ2 LYS 18 -5.159 15.346 4.401 141 HZ3 LYS 18 HZ3 LYS 18 -5.740 16.317 3.133 142 H ASP 19 H ASP 19 -6.528 11.702 -0.691 143 HA ASP 19 HA ASP 19 -7.431 12.812 -3.197 144 HB2 ASP 19 HB3 ASP 19 -4.958 11.177 -2.542 145 HB3 ASP 19 HB2 ASP 19 -5.138 12.317 -3.876 146 H ILE 20 H ILE 20 -6.697 9.483 -2.128 147 HA ILE 20 HA ILE 20 -7.208 8.267 -4.705 148 HB ILE 20 HB ILE 20 -7.224 7.165 -1.874 149 HG12 ILE 20 HG13 ILE 20 -5.108 8.272 -2.459 150 HG13 ILE 20 HG12 ILE 20 -4.884 6.522 -2.419 151 HG21 ILE 20 HG21 ILE 20 -8.289 5.780 -3.775 152 HG22 ILE 20 HG22 ILE 20 -7.022 5.003 -2.826 153 HG23 ILE 20 HG23 ILE 20 -6.656 5.651 -4.425 154 HD11 ILE 20 HD11 ILE 20 -5.328 6.531 -4.928 155 HD12 ILE 20 HD12 ILE 20 -3.813 7.277 -4.421 156 HD13 ILE 20 HD13 ILE 20 -5.191 8.288 -4.855 157 H ARG 21 H ARG 21 -9.194 8.970 -1.852 158 HA ARG 21 HA ARG 21 -11.471 7.395 -2.401 159 HB2 ARG 21 HB3 ARG 21 -10.880 10.001 -1.049 160 HB3 ARG 21 HB2 ARG 21 -12.570 9.558 -1.294 161 HG2 ARG 21 HG3 ARG 21 -12.305 7.515 -0.068 162 HG3 ARG 21 HG2 ARG 21 -10.551 7.687 -0.037 163 HD2 ARG 21 HD3 ARG 21 -10.908 8.602 2.030 164 HD3 ARG 21 HD2 ARG 21 -11.375 10.053 1.127 165 HE ARG 21 HE ARG 21 -13.225 8.123 2.375 166 HH11 ARG 21 HH11 ARG 21 -12.728 10.723 0.142 167 HH12 ARG 21 HH12 ARG 21 -14.392 11.190 0.129 168 HH21 ARG 21 HH21 ARG 21 -15.389 8.733 2.356 169 HH22 ARG 21 HH22 ARG 21 -15.895 10.070 1.376 170 H SER 22 H SER 22 -10.507 10.537 -3.762 171 HA SER 22 HA SER 22 -12.939 11.109 -5.163 172 HB2 SER 22 HB3 SER 22 -11.542 12.931 -5.105 173 HB3 SER 22 HB2 SER 22 -10.088 11.938 -5.163 174 HG SER 22 HG SER 22 -10.321 11.737 -7.347 175 H LEU 23 H LEU 23 -10.067 9.208 -6.039 176 HA LEU 23 HA LEU 23 -10.877 8.761 -8.795 177 HB2 LEU 23 HB3 LEU 23 -9.016 7.135 -7.033 178 HB3 LEU 23 HB2 LEU 23 -8.986 7.243 -8.793 179 HG LEU 23 HG LEU 23 -8.500 9.569 -6.912 180 HD11 LEU 23 HD11 LEU 23 -6.153 9.372 -7.639 181 HD12 LEU 23 HD12 LEU 23 -6.566 7.946 -8.592 182 HD13 LEU 23 HD13 LEU 23 -6.685 7.897 -6.833 183 HD21 LEU 23 HD21 LEU 23 -9.446 9.778 -9.403 184 HD22 LEU 23 HD22 LEU 23 -7.747 9.538 -9.805 185 HD23 LEU 23 HD23 LEU 23 -8.229 10.896 -8.790 186 H LEU 24 H LEU 24 -11.094 6.884 -5.777 187 HA LEU 24 HA LEU 24 -12.445 4.626 -7.050 188 HB2 LEU 24 HB3 LEU 24 -11.477 5.482 -4.381 189 HB3 LEU 24 HB2 LEU 24 -12.838 4.362 -4.367 190 HG LEU 24 HG LEU 24 -10.784 3.074 -4.340 191 HD11 LEU 24 HD11 LEU 24 -12.829 2.665 -6.073 192 HD12 LEU 24 HD12 LEU 24 -11.457 1.567 -5.926 193 HD13 LEU 24 HD13 LEU 24 -11.484 2.777 -7.209 194 HD21 LEU 24 HD21 LEU 24 -9.251 3.287 -6.380 195 HD22 LEU 24 HD22 LEU 24 -9.187 4.618 -5.223 196 HD23 LEU 24 HD23 LEU 24 -10.091 4.799 -6.728 197 H GLN 25 H GLN 25 -13.458 7.712 -6.001 198 HA GLN 25 HA GLN 25 -15.614 8.639 -5.683 199 HB2 GLN 25 HB3 GLN 25 -16.512 6.088 -7.050 200 HB3 GLN 25 HB2 GLN 25 -17.269 7.679 -7.132 201 HG2 GLN 25 HG3 GLN 25 -15.095 8.512 -8.182 202 HG3 GLN 25 HG2 GLN 25 -14.637 6.817 -8.346 203 HE21 GLN 25 HE21 GLN 25 -15.806 5.508 -9.903 204 HE22 GLN 25 HE22 GLN 25 -16.863 6.197 -11.039 205 H CYS 26 H CYS 26 -14.488 6.839 -3.621 206 HA CYS 26 HA CYS 26 -16.311 4.951 -2.576 207 HB2 CYS 26 HB3 CYS 26 -14.339 6.870 -1.306 208 HB3 CYS 26 HB2 CYS 26 -15.132 5.578 -0.405 209 HG CYS 26 HG CYS 26 -12.754 5.188 -2.175 210 H ASP 27 H ASP 27 -16.885 5.949 0.042 211 HA ASP 27 HA ASP 27 -18.560 8.355 -0.230 212 HB2 ASP 27 HB3 ASP 27 -19.525 5.721 -0.802 213 HB3 ASP 27 HB2 ASP 27 -20.287 6.265 0.693 214 H ASP 28 H ASP 28 -19.803 8.668 1.922 215 HA ASP 28 HA ASP 28 -18.938 7.220 4.281 216 HB2 ASP 28 HB3 ASP 28 -17.453 8.958 5.146 217 HB3 ASP 28 HB2 ASP 28 -16.896 8.466 3.548 218 H GLY 29 H GLY 29 -21.120 7.302 4.955 219 HA2 GLY 29 HA3 GLY 29 -22.013 9.875 6.058 220 HA3 GLY 29 HA2 GLY 29 -23.036 9.235 4.772 221 H ILE 30 H ILE 30 -24.084 9.553 7.325 222 HA ILE 30 HA ILE 30 -23.905 7.247 9.021 223 HB ILE 30 HB ILE 30 -24.798 9.471 9.648 224 HG12 ILE 30 HG13 ILE 30 -26.817 8.672 10.849 225 HG13 ILE 30 HG12 ILE 30 -26.832 7.225 9.840 226 HG21 ILE 30 HG21 ILE 30 -26.501 10.484 8.532 227 HG22 ILE 30 HG22 ILE 30 -27.427 8.988 8.403 228 HG23 ILE 30 HG23 ILE 30 -26.136 9.327 7.251 229 HD11 ILE 30 HD11 ILE 30 -25.277 6.236 11.134 230 HD12 ILE 30 HD12 ILE 30 -25.421 7.592 12.252 231 HD13 ILE 30 HD13 ILE 30 -24.202 7.626 10.977 232 H THR 31 H THR 31 -25.522 7.783 5.994 233 HA THR 31 HA THR 31 -27.349 5.473 6.405 234 HB THR 31 HB THR 31 -28.279 7.495 5.443 235 HG1 THR 31 HG1 THR 31 -29.220 6.532 3.785 236 HG21 THR 31 HG21 THR 31 -25.795 7.363 3.790 237 HG22 THR 31 HG22 THR 31 -26.570 8.757 4.542 238 HG23 THR 31 HG23 THR 31 -27.237 8.070 3.062 239 H GLY 32 H GLY 32 -24.328 6.282 4.874 240 HA2 GLY 32 HA3 GLY 32 -23.990 3.505 4.027 241 HA3 GLY 32 HA2 GLY 32 -24.109 4.639 2.682 242 H LYS 33 H LYS 33 -21.926 3.104 4.623 243 HA LYS 33 HA LYS 33 -19.901 5.299 4.313 244 HB2 LYS 33 HB3 LYS 33 -20.309 3.107 6.360 245 HB3 LYS 33 HB2 LYS 33 -18.784 3.983 6.226 246 HG2 LYS 33 HG3 LYS 33 -19.643 5.688 7.413 247 HG3 LYS 33 HG2 LYS 33 -20.918 5.892 6.212 248 HD2 LYS 33 HD3 LYS 33 -22.455 4.914 7.545 249 HD3 LYS 33 HD2 LYS 33 -21.381 3.564 7.910 250 HE2 LYS 33 HE3 LYS 33 -20.140 5.153 9.493 251 HE3 LYS 33 HE2 LYS 33 -21.521 6.251 9.302 252 HZ1 LYS 33 HZ1 LYS 33 -21.576 3.440 10.256 253 HZ2 LYS 33 HZ2 LYS 33 -22.972 4.311 9.832 254 HZ3 LYS 33 HZ3 LYS 33 -22.005 4.828 11.130 255 H GLU 34 H GLU 34 -18.216 4.809 2.944 256 HA GLU 34 HA GLU 34 -18.146 2.277 1.526 257 HB2 GLU 34 HB3 GLU 34 -17.470 4.206 0.349 258 HB3 GLU 34 HB2 GLU 34 -16.467 4.777 1.681 259 HG2 GLU 34 HG3 GLU 34 -15.703 2.133 0.603 260 HG3 GLU 34 HG2 GLU 34 -15.490 3.480 -0.516 261 H ARG 35 H ARG 35 -16.867 0.498 1.920 262 HA ARG 35 HA ARG 35 -14.831 0.683 4.118 263 HB2 ARG 35 HB3 ARG 35 -17.230 -0.519 4.359 264 HB3 ARG 35 HB2 ARG 35 -16.337 -1.846 3.616 265 HG2 ARG 35 HG3 ARG 35 -15.441 -0.334 6.089 266 HG3 ARG 35 HG2 ARG 35 -16.229 -1.912 6.106 267 HD2 ARG 35 HD3 ARG 35 -14.280 -2.543 4.409 268 HD3 ARG 35 HD2 ARG 35 -13.456 -1.196 5.221 269 HE ARG 35 HE ARG 35 -13.347 -2.526 7.168 270 HH11 ARG 35 HH11 ARG 35 -15.776 -3.652 4.985 271 HH12 ARG 35 HH12 ARG 35 -16.163 -5.048 5.931 272 HH21 ARG 35 HH21 ARG 35 -13.843 -4.345 8.411 273 HH22 ARG 35 HH22 ARG 35 -15.070 -5.441 7.869 274 H LEU 36 H LEU 36 -12.835 0.159 3.298 275 HA LEU 36 HA LEU 36 -12.729 -1.543 0.838 276 HB2 LEU 36 HB3 LEU 36 -10.753 0.423 2.038 277 HB3 LEU 36 HB2 LEU 36 -10.571 -0.396 0.485 278 HG LEU 36 HG LEU 36 -12.911 1.398 1.181 279 HD11 LEU 36 HD11 LEU 36 -11.456 3.101 0.878 280 HD12 LEU 36 HD12 LEU 36 -11.409 2.615 -0.817 281 HD13 LEU 36 HD13 LEU 36 -10.190 2.013 0.307 282 HD21 LEU 36 HD21 LEU 36 -13.723 0.199 -0.593 283 HD22 LEU 36 HD22 LEU 36 -12.115 -0.288 -1.128 284 HD23 LEU 36 HD23 LEU 36 -12.728 1.316 -1.529 285 H LYS 37 H LYS 37 -11.427 -3.379 0.821 286 HA LYS 37 HA LYS 37 -9.929 -4.042 3.331 287 HB2 LYS 37 HB3 LYS 37 -11.965 -5.630 1.754 288 HB3 LYS 37 HB2 LYS 37 -10.824 -6.418 2.844 289 HG2 LYS 37 HG3 LYS 37 -11.915 -4.205 4.252 290 HG3 LYS 37 HG2 LYS 37 -13.267 -5.054 3.499 291 HD2 LYS 37 HD3 LYS 37 -12.997 -6.190 5.544 292 HD3 LYS 37 HD2 LYS 37 -12.124 -7.210 4.399 293 HE2 LYS 37 HE3 LYS 37 -10.022 -6.523 5.183 294 HE3 LYS 37 HE2 LYS 37 -10.664 -5.013 5.862 295 HZ1 LYS 37 HZ1 LYS 37 -11.845 -6.225 7.519 296 HZ2 LYS 37 HZ2 LYS 37 -10.238 -6.775 7.549 297 HZ3 LYS 37 HZ3 LYS 37 -11.447 -7.715 6.812 298 H ALA 38 H ALA 38 -7.845 -4.680 2.858 299 HA ALA 38 HA ALA 38 -7.263 -5.544 0.041 300 HB1 ALA 38 HB1 ALA 38 -5.573 -4.006 2.039 301 HB2 ALA 38 HB2 ALA 38 -6.411 -3.309 0.653 302 HB3 ALA 38 HB3 ALA 38 -5.077 -4.435 0.402 303 H TYR 39 H TYR 39 -5.344 -7.006 -0.121 304 HA TYR 39 HA TYR 39 -4.473 -8.420 2.311 305 HB2 TYR 39 HB3 TYR 39 -5.381 -10.604 1.301 306 HB3 TYR 39 HB2 TYR 39 -6.582 -9.504 1.977 307 HD1 TYR 39 HD1 TYR 39 -4.823 -10.258 -1.248 308 HD2 TYR 39 HD2 TYR 39 -8.400 -8.844 0.663 309 HE1 TYR 39 HE1 TYR 39 -5.949 -10.128 -3.453 310 HE2 TYR 39 HE2 TYR 39 -9.526 -8.714 -1.542 311 HH TYR 39 HH TYR 39 -9.178 -8.739 -3.787 312 H GLY 40 H GLY 40 -2.956 -10.294 1.603 313 HA2 GLY 40 HA3 GLY 40 -1.525 -9.466 -0.881 314 HA3 GLY 40 HA2 GLY 40 -0.722 -10.152 0.533 315 H GLU 41 H GLU 41 -0.267 -11.370 -1.844 316 HA GLU 41 HA GLU 41 -1.824 -13.918 -1.596 317 HB2 GLU 41 HB3 GLU 41 -0.824 -12.665 -4.167 318 HB3 GLU 41 HB2 GLU 41 -1.938 -14.023 -4.001 319 HG2 GLU 41 HG3 GLU 41 -3.142 -12.006 -2.511 320 HG3 GLU 41 HG2 GLU 41 -2.488 -11.155 -3.910 321 H LEU 42 H LEU 42 -0.300 -15.198 -3.684 322 HA LEU 42 HA LEU 42 1.686 -16.459 -3.898 323 HB2 LEU 42 HB3 LEU 42 2.304 -13.638 -3.451 324 HB3 LEU 42 HB2 LEU 42 3.619 -14.691 -2.929 325 HG LEU 42 HG LEU 42 2.806 -15.807 -5.345 326 HD11 LEU 42 HD11 LEU 42 1.525 -14.042 -6.166 327 HD12 LEU 42 HD12 LEU 42 3.121 -13.621 -6.785 328 HD13 LEU 42 HD13 LEU 42 2.496 -12.821 -5.342 329 HD21 LEU 42 HD21 LEU 42 5.065 -15.758 -5.348 330 HD22 LEU 42 HD22 LEU 42 5.096 -14.414 -4.206 331 HD23 LEU 42 HD23 LEU 42 4.948 -14.098 -5.936 332 H ILE 43 H ILE 43 1.352 -18.052 -2.281 333 HA ILE 43 HA ILE 43 2.490 -17.435 0.427 334 HB ILE 43 HB ILE 43 0.926 -19.150 1.222 335 HG12 ILE 43 HG13 ILE 43 -0.325 -19.407 -1.478 336 HG13 ILE 43 HG12 ILE 43 1.165 -20.305 -1.189 337 HG21 ILE 43 HG21 ILE 43 0.237 -16.665 0.317 338 HG22 ILE 43 HG22 ILE 43 -0.867 -17.744 1.170 339 HG23 ILE 43 HG23 ILE 43 -0.885 -17.677 -0.593 340 HD11 ILE 43 HD11 ILE 43 -1.127 -20.401 0.772 341 HD12 ILE 43 HD12 ILE 43 0.219 -21.528 0.601 342 HD13 ILE 43 HD13 ILE 43 -1.057 -21.489 -0.615 343 H THR 44 H THR 44 2.955 -19.900 1.409 344 HA THR 44 HA THR 44 4.970 -21.045 -0.487 345 HB THR 44 HB THR 44 4.706 -21.141 2.538 346 HG1 THR 44 HG1 THR 44 6.560 -19.761 2.368 347 HG21 THR 44 HG21 THR 44 7.014 -22.006 0.778 348 HG22 THR 44 HG22 THR 44 5.846 -23.118 1.493 349 HG23 THR 44 HG23 THR 44 6.902 -22.161 2.531 350 H ASN 45 H ASN 45 2.960 -22.219 -1.424 351 HA ASN 45 HA ASN 45 2.941 -24.945 -0.621 352 HB2 ASN 45 HB3 ASN 45 1.356 -23.136 0.950 353 HB3 ASN 45 HB2 ASN 45 0.270 -24.211 0.069 354 HD21 ASN 45 HD21 ASN 45 0.961 -26.645 0.190 355 HD22 ASN 45 HD22 ASN 45 1.562 -27.186 1.683 356 H ASP 46 H ASP 46 1.002 -26.079 -1.700 357 HA ASP 46 HA ASP 46 0.555 -24.832 -4.355 358 HB2 ASP 46 HB3 ASP 46 1.033 -27.448 -3.259 359 HB3 ASP 46 HB2 ASP 46 -0.466 -27.469 -4.185 360 H LYS 47 H LYS 47 -0.933 -24.268 -1.774 361 HA LYS 47 HA LYS 47 -3.693 -25.124 -2.500 362 HB2 LYS 47 HB3 LYS 47 -2.589 -23.643 -0.090 363 HB3 LYS 47 HB2 LYS 47 -4.213 -24.315 -0.236 364 HG2 LYS 47 HG3 LYS 47 -1.836 -26.099 -0.652 365 HG3 LYS 47 HG2 LYS 47 -2.345 -25.698 0.988 366 HD2 LYS 47 HD3 LYS 47 -4.484 -26.534 -0.906 367 HD3 LYS 47 HD2 LYS 47 -3.367 -27.790 -0.368 368 HE2 LYS 47 HE3 LYS 47 -3.891 -27.367 1.956 369 HE3 LYS 47 HE2 LYS 47 -4.835 -25.925 1.529 370 HZ1 LYS 47 HZ1 LYS 47 -5.421 -28.623 0.445 371 HZ2 LYS 47 HZ2 LYS 47 -6.389 -27.230 0.344 372 HZ3 LYS 47 HZ3 LYS 47 -6.173 -28.011 1.838 373 H TRP 48 H TRP 48 -5.054 -22.939 -1.342 374 HA TRP 48 HA TRP 48 -4.583 -20.844 -3.421 375 HB2 TRP 48 HB3 TRP 48 -6.970 -20.944 -1.599 376 HB3 TRP 48 HB2 TRP 48 -6.883 -20.451 -3.287 377 HD1 TRP 48 HD1 TRP 48 -8.323 -23.063 -1.371 378 HE1 TRP 48 HE1 TRP 48 -8.577 -25.257 -2.696 379 HE3 TRP 48 HE3 TRP 48 -5.186 -22.098 -5.286 380 HZ2 TRP 48 HZ2 TRP 48 -7.583 -26.447 -5.098 381 HZ3 TRP 48 HZ3 TRP 48 -4.860 -23.780 -7.077 382 HH2 TRP 48 HH2 TRP 48 -6.054 -25.952 -6.988 383 H THR 49 H THR 49 -5.623 -21.000 0.004 384 HA THR 49 HA THR 49 -3.645 -19.320 1.102 385 HB THR 49 HB THR 49 -4.261 -17.552 -0.331 386 HG1 THR 49 HG1 THR 49 -6.032 -17.102 1.814 387 HG21 THR 49 HG21 THR 49 -6.843 -16.974 -0.419 388 HG22 THR 49 HG22 THR 49 -7.016 -18.675 0.009 389 HG23 THR 49 HG23 THR 49 -6.171 -18.220 -1.470 390 H ARG 50 H ARG 50 -4.055 -18.945 3.320 391 HA ARG 50 HA ARG 50 -6.769 -19.532 4.383 392 HB2 ARG 50 HB3 ARG 50 -4.612 -21.397 4.225 393 HB3 ARG 50 HB2 ARG 50 -4.823 -20.974 5.925 394 HG2 ARG 50 HG3 ARG 50 -7.425 -21.265 5.110 395 HG3 ARG 50 HG2 ARG 50 -6.610 -22.483 4.128 396 HD2 ARG 50 HD3 ARG 50 -5.489 -22.686 6.728 397 HD3 ARG 50 HD2 ARG 50 -7.251 -22.602 6.933 398 HE ARG 50 HE ARG 50 -5.810 -24.784 5.678 399 HH11 ARG 50 HH11 ARG 50 -8.691 -22.879 5.622 400 HH12 ARG 50 HH12 ARG 50 -9.654 -24.126 4.903 401 HH21 ARG 50 HH21 ARG 50 -7.056 -26.415 4.743 402 HH22 ARG 50 HH22 ARG 50 -8.730 -26.125 4.406 403 H ASN 51 H ASN 51 -5.816 -17.032 4.489 404 HA ASN 51 HA ASN 51 -5.300 -15.288 5.998 405 HB2 ASN 51 HB3 ASN 51 -6.335 -17.566 7.484 406 HB3 ASN 51 HB2 ASN 51 -5.207 -16.629 8.463 407 HD21 ASN 51 HD21 ASN 51 -8.404 -16.839 8.050 408 HD22 ASN 51 HD22 ASN 51 -8.859 -15.207 8.162 409 H ARG 52 H ARG 52 -3.156 -16.942 4.777 410 HA ARG 52 HA ARG 52 -1.098 -17.407 6.779 411 HB2 ARG 52 HB3 ARG 52 -1.572 -17.741 3.935 412 HB3 ARG 52 HB2 ARG 52 0.049 -17.104 4.223 413 HG2 ARG 52 HG3 ARG 52 0.712 -18.962 5.453 414 HG3 ARG 52 HG2 ARG 52 -0.940 -19.371 5.918 415 HD2 ARG 52 HD3 ARG 52 -1.130 -20.773 4.152 416 HD3 ARG 52 HD2 ARG 52 -0.661 -19.480 3.031 417 HE ARG 52 HE ARG 52 1.534 -20.345 3.064 418 HH11 ARG 52 HH11 ARG 52 -0.279 -21.365 5.822 419 HH12 ARG 52 HH12 ARG 52 0.974 -22.395 6.426 420 HH21 ARG 52 HH21 ARG 52 3.176 -21.683 3.845 421 HH22 ARG 52 HH22 ARG 52 2.927 -22.576 5.309 422 HA PRO 53 HA PRO 53 0.579 -13.375 7.138 423 HB2 PRO 53 HB3 PRO 53 3.265 -13.946 7.320 424 HB3 PRO 53 HB2 PRO 53 2.114 -14.208 8.645 425 HG2 PRO 53 HG3 PRO 53 3.260 -16.161 6.719 426 HG3 PRO 53 HG2 PRO 53 2.896 -16.353 8.441 427 HD2 PRO 53 HD3 PRO 53 1.314 -17.345 6.462 428 HD3 PRO 53 HD2 PRO 53 0.694 -16.856 8.055 429 H ILE 54 H ILE 54 1.903 -11.785 5.976 430 HA ILE 54 HA ILE 54 2.097 -12.351 3.096 431 HB ILE 54 HB ILE 54 2.564 -9.893 4.819 432 HG12 ILE 54 HG13 ILE 54 0.244 -10.524 4.842 433 HG13 ILE 54 HG12 ILE 54 0.392 -9.204 3.682 434 HG21 ILE 54 HG21 ILE 54 2.493 -10.241 1.808 435 HG22 ILE 54 HG22 ILE 54 3.857 -9.679 2.777 436 HG23 ILE 54 HG23 ILE 54 2.413 -8.678 2.622 437 HD11 ILE 54 HD11 ILE 54 0.857 -11.304 2.042 438 HD12 ILE 54 HD12 ILE 54 -0.755 -10.647 2.327 439 HD13 ILE 54 HD13 ILE 54 -0.214 -12.072 3.215 440 H VAL 55 H VAL 55 4.043 -12.533 1.985 441 HA VAL 55 HA VAL 55 6.486 -12.843 3.641 442 HB VAL 55 HB VAL 55 5.784 -14.606 2.062 443 HG11 VAL 55 HG11 VAL 55 6.145 -13.942 -0.442 444 HG12 VAL 55 HG12 VAL 55 5.881 -12.297 0.135 445 HG13 VAL 55 HG13 VAL 55 4.623 -13.516 0.341 446 HG21 VAL 55 HG21 VAL 55 7.924 -15.057 1.328 447 HG22 VAL 55 HG22 VAL 55 8.294 -13.738 2.438 448 HG23 VAL 55 HG23 VAL 55 8.168 -13.425 0.707 449 H SER 56 H SER 56 8.319 -11.553 3.350 450 HA SER 56 HA SER 56 8.038 -9.239 1.460 451 HB2 SER 56 HB3 SER 56 9.699 -8.479 3.575 452 HB3 SER 56 HB2 SER 56 8.007 -8.033 3.374 453 HG SER 56 HG SER 56 9.126 -10.189 4.828 454 H THR 57 H THR 57 9.991 -8.504 0.485 455 HA THR 57 HA THR 57 12.128 -10.571 0.372 456 HB THR 57 HB THR 57 12.687 -9.417 -1.731 457 HG1 THR 57 HG1 THR 57 10.534 -7.687 -1.118 458 HG21 THR 57 HG21 THR 57 10.623 -9.872 -2.937 459 HG22 THR 57 HG22 THR 57 9.691 -9.762 -1.443 460 HG23 THR 57 HG23 THR 57 10.830 -11.089 -1.678 461 H LYS 58 H LYS 58 14.316 -10.008 0.769 462 HA LYS 58 HA LYS 58 14.811 -7.257 1.857 463 HB2 LYS 58 HB3 LYS 58 16.089 -8.318 3.658 464 HB3 LYS 58 HB2 LYS 58 14.463 -9.002 3.620 465 HG2 LYS 58 HG3 LYS 58 15.559 -10.999 3.606 466 HG3 LYS 58 HG2 LYS 58 15.761 -10.663 1.886 467 HD2 LYS 58 HD3 LYS 58 17.957 -11.123 2.593 468 HD3 LYS 58 HD2 LYS 58 17.893 -9.360 2.626 469 HE2 LYS 58 HE3 LYS 58 17.265 -9.520 5.081 470 HE3 LYS 58 HE2 LYS 58 17.636 -11.252 4.985 471 HZ1 LYS 58 HZ1 LYS 58 19.433 -9.040 5.076 472 HZ2 LYS 58 HZ2 LYS 58 19.713 -9.990 3.696 473 HZ3 LYS 58 HZ3 LYS 58 19.763 -10.694 5.240 474 H LYS 59 H LYS 59 16.538 -6.315 0.833 475 HA LYS 59 HA LYS 59 18.724 -8.063 -0.208 476 HB2 LYS 59 HB3 LYS 59 16.794 -6.342 -1.682 477 HB3 LYS 59 HB2 LYS 59 18.471 -6.280 -2.225 478 HG2 LYS 59 HG3 LYS 59 18.525 -8.607 -2.689 479 HG3 LYS 59 HG2 LYS 59 17.055 -8.907 -1.760 480 HD2 LYS 59 HD3 LYS 59 16.602 -6.951 -3.870 481 HD3 LYS 59 HD2 LYS 59 17.204 -8.477 -4.518 482 HE2 LYS 59 HE3 LYS 59 15.004 -9.115 -4.393 483 HE3 LYS 59 HE2 LYS 59 15.359 -9.353 -2.670 484 HZ1 LYS 59 HZ1 LYS 59 13.450 -7.828 -3.122 485 HZ2 LYS 59 HZ2 LYS 59 14.548 -6.745 -3.832 486 HZ3 LYS 59 HZ3 LYS 59 14.687 -7.141 -2.187 487 H LEU 60 H LEU 60 20.650 -7.217 0.469 488 HA LEU 60 HA LEU 60 20.726 -4.359 1.334 489 HB2 LEU 60 HB3 LEU 60 22.766 -5.151 2.545 490 HB3 LEU 60 HB2 LEU 60 21.328 -6.081 2.967 491 HG LEU 60 HG LEU 60 22.730 -7.173 0.641 492 HD11 LEU 60 HD11 LEU 60 24.524 -6.142 2.331 493 HD12 LEU 60 HD12 LEU 60 24.783 -7.707 1.560 494 HD13 LEU 60 HD13 LEU 60 24.180 -7.629 3.215 495 HD21 LEU 60 HD21 LEU 60 22.273 -9.234 1.743 496 HD22 LEU 60 HD22 LEU 60 20.900 -8.197 2.132 497 HD23 LEU 60 HD23 LEU 60 22.175 -8.455 3.323 498 H ASP 61 H ASP 61 22.123 -2.912 0.333 499 HA ASP 61 HA ASP 61 23.430 -3.810 -2.172 500 HB2 ASP 61 HB3 ASP 61 23.668 -1.327 -2.467 501 HB3 ASP 61 HB2 ASP 61 22.001 -1.830 -2.184 502 H LYS 62 H LYS 62 25.580 -2.220 -2.443 503 HA LYS 62 HA LYS 62 27.598 -3.405 -0.781 504 HB2 LYS 62 HB3 LYS 62 29.067 -1.900 -2.018 505 HB3 LYS 62 HB2 LYS 62 27.833 -2.512 -3.120 506 HG2 LYS 62 HG3 LYS 62 26.667 -0.237 -2.002 507 HG3 LYS 62 HG2 LYS 62 28.348 0.229 -2.266 508 HD2 LYS 62 HD3 LYS 62 27.136 -1.288 -4.490 509 HD3 LYS 62 HD2 LYS 62 26.417 0.296 -4.204 510 HE2 LYS 62 HE3 LYS 62 28.323 0.451 -5.794 511 HE3 LYS 62 HE2 LYS 62 28.684 1.324 -4.291 512 HZ1 LYS 62 HZ1 LYS 62 29.327 -1.542 -4.546 513 HZ2 LYS 62 HZ2 LYS 62 30.007 -0.384 -3.506 514 HZ3 LYS 62 HZ3 LYS 62 30.395 -0.377 -5.161 515 H GLU 63 H GLU 63 25.441 -0.832 -0.190 516 HA GLU 63 HA GLU 63 27.221 0.676 1.609 517 HB2 GLU 63 HB3 GLU 63 24.233 0.827 1.098 518 HB3 GLU 63 HB2 GLU 63 25.221 2.066 1.872 519 HG2 GLU 63 HG3 GLU 63 26.416 2.513 -0.150 520 HG3 GLU 63 HG2 GLU 63 25.766 1.071 -0.931 521 H GLY 64 H GLY 64 25.178 -2.061 1.813 522 HA2 GLY 64 HA3 GLY 64 24.996 -3.466 3.751 523 HA3 GLY 64 HA2 GLY 64 25.509 -2.107 4.752 524 H ARG 65 H ARG 65 23.208 -1.041 2.562 525 HA ARG 65 HA ARG 65 21.138 -0.985 4.693 526 HB2 ARG 65 HB3 ARG 65 22.096 0.721 2.619 527 HB3 ARG 65 HB2 ARG 65 20.411 0.347 2.255 528 HG2 ARG 65 HG3 ARG 65 20.630 2.350 3.714 529 HG3 ARG 65 HG2 ARG 65 19.741 1.047 4.503 530 HD2 ARG 65 HD3 ARG 65 21.229 1.550 6.212 531 HD3 ARG 65 HD2 ARG 65 22.238 0.402 5.310 532 HE ARG 65 HE ARG 65 22.625 2.893 4.074 533 HH11 ARG 65 HH11 ARG 65 23.044 1.447 7.183 534 HH12 ARG 65 HH12 ARG 65 24.384 2.456 7.614 535 HH21 ARG 65 HH21 ARG 65 24.364 4.221 4.630 536 HH22 ARG 65 HH22 ARG 65 25.132 4.024 6.171 537 H THR 66 H THR 66 19.439 -2.399 4.622 538 HA THR 66 HA THR 66 19.064 -4.083 2.208 539 HB THR 66 HB THR 66 18.004 -4.107 5.048 540 HG1 THR 66 HG1 THR 66 19.290 -6.006 5.101 541 HG21 THR 66 HG21 THR 66 16.922 -6.215 4.521 542 HG22 THR 66 HG22 THR 66 17.536 -6.159 2.870 543 HG23 THR 66 HG23 THR 66 16.332 -4.986 3.403 544 H HIS 67 H HIS 67 17.199 -3.998 0.945 545 HA HIS 67 HA HIS 67 15.313 -1.743 1.511 546 HB2 HIS 67 HB3 HIS 67 15.914 -3.333 -1.009 547 HB3 HIS 67 HB2 HIS 67 14.867 -1.917 -0.916 548 HD1 HIS 67 HD1 HIS 67 17.892 -2.443 -2.297 549 HD2 HIS 67 HD2 HIS 67 16.815 0.060 0.857 550 HE1 HIS 67 HE1 HIS 67 19.688 -0.662 -2.150 551 H HIS 68 H HIS 68 13.064 -2.162 1.553 552 HA HIS 68 HA HIS 68 12.296 -5.065 1.626 553 HB2 HIS 68 HB3 HIS 68 12.300 -3.655 3.753 554 HB3 HIS 68 HB2 HIS 68 10.991 -2.717 3.034 555 HD1 HIS 68 HD1 HIS 68 8.751 -4.059 2.484 556 HD2 HIS 68 HD2 HIS 68 11.516 -6.116 4.829 557 HE1 HIS 68 HE1 HIS 68 7.506 -6.009 3.515 558 H TYR 69 H TYR 69 10.617 -5.683 0.296 559 HA TYR 69 HA TYR 69 9.090 -3.520 -1.120 560 HB2 TYR 69 HB3 TYR 69 10.078 -6.193 -2.169 561 HB3 TYR 69 HB2 TYR 69 9.212 -4.975 -3.104 562 HD1 TYR 69 HD1 TYR 69 10.302 -2.940 -3.848 563 HD2 TYR 69 HD2 TYR 69 12.389 -5.788 -1.401 564 HE1 TYR 69 HE1 TYR 69 12.447 -1.802 -4.352 565 HE2 TYR 69 HE2 TYR 69 14.534 -4.649 -1.903 566 HH TYR 69 HH TYR 69 14.631 -1.752 -3.984 567 H MET 70 H MET 70 6.954 -3.674 -0.561 568 HA MET 70 HA MET 70 5.758 -6.401 -0.248 569 HB2 MET 70 HB3 MET 70 6.452 -5.174 1.919 570 HB3 MET 70 HB2 MET 70 5.131 -4.061 1.561 571 HG2 MET 70 HG3 MET 70 3.494 -5.739 1.779 572 HG3 MET 70 HG2 MET 70 4.670 -7.038 1.581 573 HE1 MET 70 HE1 MET 70 3.184 -7.814 4.577 574 HE2 MET 70 HE2 MET 70 2.471 -6.824 3.308 575 HE3 MET 70 HE3 MET 70 2.606 -6.183 4.943 576 H ARG 71 H ARG 71 3.674 -6.543 -1.126 577 HA ARG 71 HA ARG 71 2.224 -4.040 -1.805 578 HB2 ARG 71 HB3 ARG 71 2.046 -4.885 -4.189 579 HB3 ARG 71 HB2 ARG 71 3.671 -4.392 -3.707 580 HG2 ARG 71 HG3 ARG 71 4.273 -6.725 -3.257 581 HG3 ARG 71 HG2 ARG 71 2.636 -7.243 -3.664 582 HD2 ARG 71 HD3 ARG 71 3.047 -7.135 -5.904 583 HD3 ARG 71 HD2 ARG 71 3.917 -5.595 -5.753 584 HE ARG 71 HE ARG 71 5.367 -7.853 -4.597 585 HH11 ARG 71 HH11 ARG 71 4.649 -6.016 -7.433 586 HH12 ARG 71 HH12 ARG 71 6.119 -6.446 -8.239 587 HH21 ARG 71 HH21 ARG 71 7.288 -8.417 -5.637 588 HH22 ARG 71 HH22 ARG 71 7.613 -7.803 -7.224 589 H PHE 72 H PHE 72 -0.019 -4.393 -2.122 590 HA PHE 72 HA PHE 72 -1.067 -7.168 -2.050 591 HB2 PHE 72 HB3 PHE 72 -2.554 -6.343 -0.079 592 HB3 PHE 72 HB2 PHE 72 -0.880 -6.765 0.278 593 HD1 PHE 72 HD1 PHE 72 0.620 -5.161 1.159 594 HD2 PHE 72 HD2 PHE 72 -3.119 -3.890 -0.531 595 HE1 PHE 72 HE1 PHE 72 1.026 -2.861 1.992 596 HE2 PHE 72 HE2 PHE 72 -2.712 -1.589 0.301 597 HZ PHE 72 HZ PHE 72 -0.640 -1.075 1.562 598 H HIS 73 H HIS 73 -3.372 -7.218 -2.615 599 HA HIS 73 HA HIS 73 -4.148 -4.920 -4.318 600 HB2 HIS 73 HB3 HIS 73 -5.471 -7.615 -3.877 601 HB3 HIS 73 HB2 HIS 73 -5.732 -6.520 -5.235 602 HD1 HIS 73 HD1 HIS 73 -4.329 -6.970 -7.245 603 HD2 HIS 73 HD2 HIS 73 -2.578 -8.499 -3.784 604 HE1 HIS 73 HE1 HIS 73 -2.235 -8.190 -7.981 605 H VAL 74 H VAL 74 -6.250 -3.917 -4.108 606 HA VAL 74 HA VAL 74 -7.539 -4.272 -1.420 607 HB VAL 74 HB VAL 74 -7.185 -1.702 -2.996 608 HG11 VAL 74 HG11 VAL 74 -9.065 -1.747 -1.386 609 HG12 VAL 74 HG12 VAL 74 -7.792 -0.650 -0.852 610 HG13 VAL 74 HG13 VAL 74 -7.954 -2.242 -0.110 611 HG21 VAL 74 HG21 VAL 74 -5.583 -1.418 -0.825 612 HG22 VAL 74 HG22 VAL 74 -4.994 -1.994 -2.384 613 HG23 VAL 74 HG23 VAL 74 -5.398 -3.148 -1.113 614 H GLU 75 H GLU 75 -9.731 -4.652 -1.559 615 HA GLU 75 HA GLU 75 -11.019 -4.373 -4.238 616 HB2 GLU 75 HB3 GLU 75 -10.884 -6.403 -2.343 617 HB3 GLU 75 HB2 GLU 75 -12.494 -5.723 -2.099 618 HG2 GLU 75 HG3 GLU 75 -12.642 -5.820 -4.713 619 HG3 GLU 75 HG2 GLU 75 -11.335 -6.994 -4.564 620 H SER 76 H SER 76 -12.395 -2.674 -4.521 621 HA SER 76 HA SER 76 -13.526 -1.332 -2.095 622 HB2 SER 76 HB3 SER 76 -12.363 0.305 -3.236 623 HB3 SER 76 HB2 SER 76 -12.549 -0.505 -4.788 624 HG SER 76 HG SER 76 -13.807 1.482 -4.441 625 H LYS 77 H LYS 77 -15.756 -0.314 -2.565 626 HA LYS 77 HA LYS 77 -17.572 -2.394 -3.498 627 HB2 LYS 77 HB3 LYS 77 -17.775 0.411 -2.410 628 HB3 LYS 77 HB2 LYS 77 -19.211 -0.421 -3.008 629 HG2 LYS 77 HG3 LYS 77 -18.916 -2.221 -1.431 630 HG3 LYS 77 HG2 LYS 77 -17.340 -1.600 -0.940 631 HD2 LYS 77 HD3 LYS 77 -18.249 -0.045 0.442 632 HD3 LYS 77 HD2 LYS 77 -19.524 0.361 -0.707 633 HE2 LYS 77 HE3 LYS 77 -20.414 -0.703 1.391 634 HE3 LYS 77 HE2 LYS 77 -20.779 -1.661 -0.060 635 HZ1 LYS 77 HZ1 LYS 77 -18.840 -3.001 0.331 636 HZ2 LYS 77 HZ2 LYS 77 -19.791 -3.007 1.738 637 HZ3 LYS 77 HZ3 LYS 77 -18.388 -2.052 1.661 638 H LYS 78 H LYS 78 -15.963 0.275 -4.977 639 HA LYS 78 HA LYS 78 -17.929 0.367 -7.222 640 HB2 LYS 78 HB3 LYS 78 -15.915 2.160 -5.979 641 HB3 LYS 78 HB2 LYS 78 -16.082 2.295 -7.730 642 HG2 LYS 78 HG3 LYS 78 -17.968 3.486 -7.455 643 HG3 LYS 78 HG2 LYS 78 -18.704 2.118 -6.621 644 HD2 LYS 78 HD3 LYS 78 -17.033 3.130 -4.685 645 HD3 LYS 78 HD2 LYS 78 -17.568 4.595 -5.511 646 HE2 LYS 78 HE3 LYS 78 -19.681 2.576 -4.928 647 HE3 LYS 78 HE2 LYS 78 -19.021 3.463 -3.539 648 HZ1 LYS 78 HZ1 LYS 78 -20.908 4.482 -5.073 649 HZ2 LYS 78 HZ2 LYS 78 -19.556 4.989 -5.968 650 HZ3 LYS 78 HZ3 LYS 78 -19.722 5.448 -4.341 651 H LYS 79 H LYS 79 -14.606 -0.515 -6.426 652 HA LYS 79 HA LYS 79 -14.351 -2.101 -8.853 653 HB2 LYS 79 HB3 LYS 79 -13.784 0.681 -8.949 654 HB3 LYS 79 HB2 LYS 79 -12.233 -0.155 -9.013 655 HG2 LYS 79 HG3 LYS 79 -12.857 -1.393 -10.942 656 HG3 LYS 79 HG2 LYS 79 -14.562 -0.987 -10.747 657 HD2 LYS 79 HD3 LYS 79 -12.364 1.006 -11.373 658 HD3 LYS 79 HD2 LYS 79 -13.498 0.347 -12.551 659 HE2 LYS 79 HE3 LYS 79 -15.197 1.230 -10.565 660 HE3 LYS 79 HE2 LYS 79 -13.920 2.462 -10.550 661 HZ1 LYS 79 HZ1 LYS 79 -15.578 1.564 -12.829 662 HZ2 LYS 79 HZ2 LYS 79 -14.089 2.344 -13.073 663 HZ3 LYS 79 HZ3 LYS 79 -15.345 3.142 -12.253 664 H ILE 80 H ILE 80 -11.588 -2.215 -9.055 665 HA ILE 80 HA ILE 80 -10.694 -2.959 -6.287 666 HB ILE 80 HB ILE 80 -10.020 -4.399 -8.866 667 HG12 ILE 80 HG13 ILE 80 -12.187 -5.132 -6.874 668 HG13 ILE 80 HG12 ILE 80 -12.504 -4.350 -8.423 669 HG21 ILE 80 HG21 ILE 80 -9.598 -6.268 -7.220 670 HG22 ILE 80 HG22 ILE 80 -9.850 -5.101 -5.922 671 HG23 ILE 80 HG23 ILE 80 -8.509 -4.891 -7.048 672 HD11 ILE 80 HD11 ILE 80 -10.985 -6.377 -9.304 673 HD12 ILE 80 HD12 ILE 80 -12.728 -6.541 -9.094 674 HD13 ILE 80 HD13 ILE 80 -11.630 -7.142 -7.852 675 H ALA 81 H ALA 81 -8.557 -2.373 -5.803 676 HA ALA 81 HA ALA 81 -6.943 -1.154 -8.015 677 HB1 ALA 81 HB1 ALA 81 -6.792 0.821 -6.858 678 HB2 ALA 81 HB2 ALA 81 -6.780 0.014 -5.290 679 HB3 ALA 81 HB3 ALA 81 -8.304 0.264 -6.141 680 H LEU 82 H LEU 82 -4.621 -1.189 -7.597 681 HA LEU 82 HA LEU 82 -3.815 -3.308 -5.629 682 HB2 LEU 82 HB3 LEU 82 -3.491 -3.034 -8.423 683 HB3 LEU 82 HB2 LEU 82 -1.899 -2.729 -7.727 684 HG LEU 82 HG LEU 82 -3.648 -5.156 -7.232 685 HD11 LEU 82 HD11 LEU 82 -2.585 -5.478 -9.305 686 HD12 LEU 82 HD12 LEU 82 -1.468 -6.235 -8.168 687 HD13 LEU 82 HD13 LEU 82 -1.129 -4.621 -8.795 688 HD21 LEU 82 HD21 LEU 82 -1.052 -5.543 -6.208 689 HD22 LEU 82 HD22 LEU 82 -2.537 -5.350 -5.277 690 HD23 LEU 82 HD23 LEU 82 -1.542 -3.943 -5.651 691 H VAL 83 H VAL 83 -2.209 -2.752 -4.143 692 HA VAL 83 HA VAL 83 -1.097 0.025 -4.362 693 HB VAL 83 HB VAL 83 -1.598 -1.729 -1.937 694 HG11 VAL 83 HG11 VAL 83 -0.399 0.966 -2.378 695 HG12 VAL 83 HG12 VAL 83 -0.025 -0.243 -1.149 696 HG13 VAL 83 HG13 VAL 83 -1.455 0.774 -0.979 697 HG21 VAL 83 HG21 VAL 83 -3.545 -0.657 -3.443 698 HG22 VAL 83 HG22 VAL 83 -3.136 0.769 -2.489 699 HG23 VAL 83 HG23 VAL 83 -3.653 -0.713 -1.684 700 H HIS 84 H HIS 84 1.090 0.189 -4.533 701 HA HIS 84 HA HIS 84 2.781 -2.148 -3.705 702 HB2 HIS 84 HB3 HIS 84 3.004 -0.355 -6.148 703 HB3 HIS 84 HB2 HIS 84 4.153 -1.622 -5.721 704 HD1 HIS 84 HD1 HIS 84 3.700 -3.793 -6.842 705 HD2 HIS 84 HD2 HIS 84 0.199 -1.589 -6.325 706 HE1 HIS 84 HE1 HIS 84 1.835 -5.156 -7.881 707 H LEU 85 H LEU 85 4.254 -1.489 -2.168 708 HA LEU 85 HA LEU 85 5.160 1.370 -2.239 709 HB2 LEU 85 HB3 LEU 85 4.970 1.359 0.206 710 HB3 LEU 85 HB2 LEU 85 3.428 0.886 -0.510 711 HG LEU 85 HG LEU 85 4.667 -1.539 -0.294 712 HD11 LEU 85 HD11 LEU 85 5.435 0.046 2.174 713 HD12 LEU 85 HD12 LEU 85 6.569 -0.434 0.911 714 HD13 LEU 85 HD13 LEU 85 5.752 -1.663 1.877 715 HD21 LEU 85 HD21 LEU 85 2.416 -0.327 0.685 716 HD22 LEU 85 HD22 LEU 85 3.298 -0.664 2.175 717 HD23 LEU 85 HD23 LEU 85 2.895 -1.980 1.071 718 H GLU 86 H GLU 86 7.317 1.721 -1.555 719 HA GLU 86 HA GLU 86 8.998 -0.746 -1.224 720 HB2 GLU 86 HB3 GLU 86 9.068 1.557 -3.040 721 HB3 GLU 86 HB2 GLU 86 10.610 1.291 -2.224 722 HG2 GLU 86 HG3 GLU 86 10.813 -0.099 -4.092 723 HG3 GLU 86 HG2 GLU 86 10.208 -1.220 -2.872 724 H ALA 87 H ALA 87 10.368 -0.709 0.579 725 HA ALA 87 HA ALA 87 10.685 1.906 2.012 726 HB1 ALA 87 HB1 ALA 87 9.705 1.052 3.893 727 HB2 ALA 87 HB2 ALA 87 10.379 -0.557 3.630 728 HB3 ALA 87 HB3 ALA 87 8.940 -0.050 2.747 729 H LYS 88 H LYS 88 12.621 2.089 3.227 730 HA LYS 88 HA LYS 88 14.657 -0.066 2.754 731 HB2 LYS 88 HB3 LYS 88 16.240 1.977 2.852 732 HB3 LYS 88 HB2 LYS 88 15.228 1.824 1.415 733 HG2 LYS 88 HG3 LYS 88 13.618 3.406 2.322 734 HG3 LYS 88 HG2 LYS 88 14.506 3.488 3.843 735 HD2 LYS 88 HD3 LYS 88 15.670 4.267 1.155 736 HD3 LYS 88 HD2 LYS 88 14.985 5.415 2.307 737 HE2 LYS 88 HE3 LYS 88 16.989 5.491 3.356 738 HE3 LYS 88 HE2 LYS 88 16.811 3.770 3.755 739 HZ1 LYS 88 HZ1 LYS 88 17.616 3.228 1.523 740 HZ2 LYS 88 HZ2 LYS 88 18.777 4.102 2.403 741 HZ3 LYS 88 HZ3 LYS 88 17.858 4.876 1.202 742 H GLU 89 H GLU 89 15.933 -0.614 4.572 743 HA GLU 89 HA GLU 89 14.898 0.360 7.177 744 HB2 GLU 89 HB3 GLU 89 16.239 -1.591 8.001 745 HB3 GLU 89 HB2 GLU 89 15.059 -2.035 6.768 746 HG2 GLU 89 HG3 GLU 89 16.701 -2.839 5.464 747 HG3 GLU 89 HG2 GLU 89 17.487 -1.259 5.461 748 H SER 90 H SER 90 16.058 1.700 8.487 749 HA SER 90 HA SER 90 18.660 2.741 7.567 750 HB2 SER 90 HB3 SER 90 16.605 3.386 9.667 751 HB3 SER 90 HB2 SER 90 18.210 4.100 9.781 752 HG SER 90 HG SER 90 17.532 5.459 8.339 753 H LYS 91 H LYS 91 20.589 2.600 8.879 754 HA LYS 91 HA LYS 91 21.439 0.236 9.917 755 HB2 LYS 91 HB3 LYS 91 23.171 1.475 10.894 756 HB3 LYS 91 HB2 LYS 91 22.530 2.613 9.714 757 HG2 LYS 91 HG3 LYS 91 21.569 2.568 12.587 758 HG3 LYS 91 HG2 LYS 91 22.950 3.529 12.070 759 HD2 LYS 91 HD3 LYS 91 21.632 4.854 10.612 760 HD3 LYS 91 HD2 LYS 91 20.280 3.723 10.675 761 HE2 LYS 91 HE3 LYS 91 19.464 5.190 12.244 762 HE3 LYS 91 HE2 LYS 91 20.578 4.343 13.335 763 HZ1 LYS 91 HZ1 LYS 91 21.132 6.792 11.748 764 HZ2 LYS 91 HZ2 LYS 91 22.336 5.899 12.549 765 HZ3 LYS 91 HZ3 LYS 91 21.100 6.652 13.438 766 H GLN 92 H GLN 92 19.253 2.454 11.574 767 HA GLN 92 HA GLN 92 19.377 1.450 14.217 768 HB2 GLN 92 HB3 GLN 92 18.136 3.430 13.684 769 HB3 GLN 92 HB2 GLN 92 17.155 2.572 12.494 770 HG2 GLN 92 HG3 GLN 92 16.142 1.219 14.277 771 HG3 GLN 92 HG2 GLN 92 17.143 2.033 15.479 772 HE21 GLN 92 HE21 GLN 92 16.613 4.260 16.029 773 HE22 GLN 92 HE22 GLN 92 15.149 4.972 15.546 774 H ASN 93 H ASN 93 17.720 -0.012 15.260 775 HA ASN 93 HA ASN 93 17.256 -2.403 13.535 776 HB2 ASN 93 HB3 ASN 93 18.600 -2.519 15.652 777 HB3 ASN 93 HB2 ASN 93 17.153 -2.052 16.547 778 HD21 ASN 93 HD21 ASN 93 15.502 -3.653 16.859 779 HD22 ASN 93 HD22 ASN 93 15.688 -5.269 16.374 780 H TYR 94 H TYR 94 15.391 -0.527 12.912 781 HA TYR 94 HA TYR 94 12.946 -1.468 14.373 782 HB2 TYR 94 HB3 TYR 94 14.104 1.161 14.103 783 HB3 TYR 94 HB2 TYR 94 12.515 1.134 13.338 784 HD1 TYR 94 HD1 TYR 94 10.676 -0.246 14.740 785 HD2 TYR 94 HD2 TYR 94 14.182 1.617 16.382 786 HE1 TYR 94 HE1 TYR 94 9.601 -0.191 16.975 787 HE2 TYR 94 HE2 TYR 94 13.107 1.673 18.616 788 HH TYR 94 HH TYR 94 10.538 -0.131 19.464 789 H GLN 95 H GLN 95 11.126 -0.062 12.706 790 HA GLN 95 HA GLN 95 11.082 -1.820 10.370 791 HB2 GLN 95 HB3 GLN 95 9.356 0.486 11.328 792 HB3 GLN 95 HB2 GLN 95 8.943 -0.561 9.970 793 HG2 GLN 95 HG3 GLN 95 8.458 -2.355 11.321 794 HG3 GLN 95 HG2 GLN 95 9.659 -1.902 12.532 795 HE21 GLN 95 HE21 GLN 95 7.467 -2.484 13.836 796 HE22 GLN 95 HE22 GLN 95 6.504 -1.138 14.214 797 HA PRO 96 HA PRO 96 13.086 0.942 7.588 798 HB2 PRO 96 HB3 PRO 96 11.990 0.038 5.236 799 HB3 PRO 96 HB2 PRO 96 13.267 -0.825 6.115 800 HG2 PRO 96 HG3 PRO 96 10.352 -1.365 6.005 801 HG3 PRO 96 HG2 PRO 96 11.708 -2.494 6.118 802 HD2 PRO 96 HD3 PRO 96 10.109 -1.786 8.231 803 HD3 PRO 96 HD2 PRO 96 11.775 -2.382 8.392 804 H ASP 97 H ASP 97 12.602 2.895 6.462 805 HA ASP 97 HA ASP 97 9.849 3.906 6.823 806 HB2 ASP 97 HB3 ASP 97 12.584 4.978 6.235 807 HB3 ASP 97 HB2 ASP 97 11.192 5.966 5.789 808 H PHE 98 H PHE 98 8.387 3.951 5.167 809 HA PHE 98 HA PHE 98 8.843 2.810 2.606 810 HB2 PHE 98 HB3 PHE 98 6.804 4.858 3.543 811 HB3 PHE 98 HB2 PHE 98 6.646 3.857 2.101 812 HD1 PHE 98 HD1 PHE 98 5.211 4.093 5.086 813 HD2 PHE 98 HD2 PHE 98 7.629 1.252 2.960 814 HE1 PHE 98 HE1 PHE 98 4.261 2.258 6.458 815 HE2 PHE 98 HE2 PHE 98 6.682 -0.583 4.332 816 HZ PHE 98 HZ PHE 98 4.996 -0.080 6.081 817 H ILE 99 H ILE 99 9.543 3.699 0.665 818 HA ILE 99 HA ILE 99 10.231 6.620 0.683 819 HB ILE 99 HB ILE 99 11.941 5.678 -1.119 820 HG12 ILE 99 HG13 ILE 99 11.343 3.255 0.612 821 HG13 ILE 99 HG12 ILE 99 11.071 3.380 -1.128 822 HG21 ILE 99 HG21 ILE 99 12.281 5.229 1.860 823 HG22 ILE 99 HG22 ILE 99 12.531 6.760 1.021 824 HG23 ILE 99 HG23 ILE 99 13.587 5.388 0.685 825 HD11 ILE 99 HD11 ILE 99 13.781 3.683 0.201 826 HD12 ILE 99 HD12 ILE 99 13.456 3.631 -1.532 827 HD13 ILE 99 HD13 ILE 99 13.202 2.192 -0.544 828 H ASN 100 H ASN 100 8.601 4.021 -0.930 829 HA ASN 100 HA ASN 100 7.632 5.947 -2.994 830 HB2 ASN 100 HB3 ASN 100 9.148 3.401 -3.330 831 HB3 ASN 100 HB2 ASN 100 7.864 3.732 -4.489 832 HD21 ASN 100 HD21 ASN 100 10.863 3.791 -4.900 833 HD22 ASN 100 HD22 ASN 100 11.196 5.349 -5.487 834 H MET 101 H MET 101 5.434 5.804 -3.146 835 HA MET 101 HA MET 101 4.076 3.223 -2.575 836 HB2 MET 101 HB3 MET 101 4.431 5.256 -0.669 837 HB3 MET 101 HB2 MET 101 2.765 5.437 -1.218 838 HG2 MET 101 HG3 MET 101 3.080 2.683 -0.956 839 HG3 MET 101 HG2 MET 101 3.949 3.339 0.430 840 HE1 MET 101 HE1 MET 101 0.248 2.014 1.144 841 HE2 MET 101 HE2 MET 101 1.670 1.500 0.240 842 HE3 MET 101 HE3 MET 101 0.306 2.221 -0.612 843 H TYR 102 H TYR 102 2.710 2.972 -4.290 844 HA TYR 102 HA TYR 102 0.998 5.259 -5.120 845 HB2 TYR 102 HB3 TYR 102 1.682 5.026 -7.439 846 HB3 TYR 102 HB2 TYR 102 3.137 5.221 -6.461 847 HD1 TYR 102 HD1 TYR 102 1.069 2.824 -8.367 848 HD2 TYR 102 HD2 TYR 102 4.691 3.391 -6.127 849 HE1 TYR 102 HE1 TYR 102 1.926 0.653 -9.203 850 HE2 TYR 102 HE2 TYR 102 5.547 1.218 -6.963 851 HH TYR 102 HH TYR 102 3.691 -0.705 -9.312 852 H VAL 103 H VAL 103 -0.880 4.503 -6.383 853 HA VAL 103 HA VAL 103 -1.389 1.562 -6.051 854 HB VAL 103 HB VAL 103 -3.338 3.881 -5.887 855 HG11 VAL 103 HG11 VAL 103 -3.973 1.360 -6.484 856 HG12 VAL 103 HG12 VAL 103 -4.978 2.325 -5.403 857 HG13 VAL 103 HG13 VAL 103 -3.828 1.165 -4.738 858 HG21 VAL 103 HG21 VAL 103 -3.310 3.188 -3.404 859 HG22 VAL 103 HG22 VAL 103 -1.919 4.099 -3.991 860 HG23 VAL 103 HG23 VAL 103 -1.803 2.353 -3.778 861 H ASP 104 H ASP 104 -2.606 0.558 -7.739 862 HA ASP 104 HA ASP 104 -2.730 2.140 -10.283 863 HB2 ASP 104 HB3 ASP 104 -1.163 0.336 -10.425 864 HB3 ASP 104 HB2 ASP 104 -2.270 -0.778 -9.621 865 H VAL 105 H VAL 105 -4.816 2.665 -10.818 866 HA VAL 105 HA VAL 105 -7.020 0.858 -9.898 867 HB VAL 105 HB VAL 105 -7.045 3.764 -10.774 868 HG11 VAL 105 HG11 VAL 105 -9.108 1.912 -9.567 869 HG12 VAL 105 HG12 VAL 105 -9.233 2.866 -11.045 870 HG13 VAL 105 HG13 VAL 105 -9.257 3.667 -9.474 871 HG21 VAL 105 HG21 VAL 105 -7.556 3.847 -8.134 872 HG22 VAL 105 HG22 VAL 105 -5.916 3.945 -8.773 873 HG23 VAL 105 HG23 VAL 105 -6.536 2.409 -8.166 874 HA PRO 106 HA PRO 106 -7.348 -0.270 -14.200 875 HB2 PRO 106 HB3 PRO 106 -9.964 -1.380 -13.409 876 HB3 PRO 106 HB2 PRO 106 -8.546 -2.214 -14.068 877 HG2 PRO 106 HG3 PRO 106 -9.330 -2.471 -11.502 878 HG3 PRO 106 HG2 PRO 106 -7.639 -2.586 -12.012 879 HD2 PRO 106 HD3 PRO 106 -9.050 -0.358 -10.638 880 HD3 PRO 106 HD2 PRO 106 -7.364 -0.901 -10.487 881 H GLY 107 H GLY 107 -8.104 1.081 -15.782 882 HA2 GLY 107 HA3 GLY 107 -9.738 2.321 -16.997 883 HA3 GLY 107 HA2 GLY 107 -10.838 2.169 -15.626 884 H GLU 108 H GLU 108 -8.467 3.075 -13.868 885 HA GLU 108 HA GLU 108 -8.742 6.003 -14.462 886 HB2 GLU 108 HB3 GLU 108 -8.593 4.428 -11.875 887 HB3 GLU 108 HB2 GLU 108 -8.523 6.189 -11.943 888 HG2 GLU 108 HG3 GLU 108 -10.776 4.676 -13.257 889 HG3 GLU 108 HG2 GLU 108 -10.835 5.084 -11.543 890 H LYS 109 H LYS 109 -6.849 7.313 -13.915 891 HA LYS 109 HA LYS 109 -4.318 6.010 -14.520 892 HB2 LYS 109 HB3 LYS 109 -5.466 8.595 -14.533 893 HB3 LYS 109 HB2 LYS 109 -4.103 8.678 -13.416 894 HG2 LYS 109 HG3 LYS 109 -2.700 8.756 -15.171 895 HG3 LYS 109 HG2 LYS 109 -3.243 7.146 -15.645 896 HD2 LYS 109 HD3 LYS 109 -5.315 8.541 -16.600 897 HD3 LYS 109 HD2 LYS 109 -4.096 9.815 -16.675 898 HE2 LYS 109 HE3 LYS 109 -2.593 8.075 -17.853 899 HE3 LYS 109 HE2 LYS 109 -4.082 7.134 -18.076 900 HZ1 LYS 109 HZ1 LYS 109 -3.315 9.685 -19.246 901 HZ2 LYS 109 HZ2 LYS 109 -4.932 9.562 -18.739 902 HZ3 LYS 109 HZ3 LYS 109 -4.308 8.461 -19.873 903 H ARG 110 H ARG 110 -2.816 5.254 -13.055 904 HA ARG 110 HA ARG 110 -3.435 4.879 -10.303 905 HB2 ARG 110 HB3 ARG 110 -1.026 4.215 -10.201 906 HB3 ARG 110 HB2 ARG 110 -1.867 3.503 -11.577 907 HG2 ARG 110 HG3 ARG 110 -0.873 5.003 -13.111 908 HG3 ARG 110 HG2 ARG 110 -0.382 6.116 -11.834 909 HD2 ARG 110 HD3 ARG 110 1.601 4.904 -12.531 910 HD3 ARG 110 HD2 ARG 110 1.121 4.252 -10.949 911 HE ARG 110 HE ARG 110 -0.109 2.901 -13.250 912 HH11 ARG 110 HH11 ARG 110 2.506 3.050 -10.992 913 HH12 ARG 110 HH12 ARG 110 2.910 1.376 -11.158 914 HH21 ARG 110 HH21 ARG 110 0.412 0.717 -13.465 915 HH22 ARG 110 HH22 ARG 110 1.730 0.058 -12.555 916 H TYR 111 H TYR 111 -2.835 6.035 -8.465 917 HA TYR 111 HA TYR 111 -1.580 8.724 -8.920 918 HB2 TYR 111 HB3 TYR 111 -4.099 8.382 -8.280 919 HB3 TYR 111 HB2 TYR 111 -3.462 8.038 -6.673 920 HD1 TYR 111 HD1 TYR 111 -3.288 9.836 -5.208 921 HD2 TYR 111 HD2 TYR 111 -2.922 10.531 -9.432 922 HE1 TYR 111 HE1 TYR 111 -3.039 12.268 -4.787 923 HE2 TYR 111 HE2 TYR 111 -2.673 12.962 -9.010 924 HH TYR 111 HH TYR 111 -3.518 14.444 -6.247 925 H TYR 112 H TYR 112 0.233 9.142 -7.692 926 HA TYR 112 HA TYR 112 1.313 7.048 -5.956 927 HB2 TYR 112 HB3 TYR 112 2.145 9.789 -6.908 928 HB3 TYR 112 HB2 TYR 112 3.100 8.916 -5.709 929 HD1 TYR 112 HD1 TYR 112 1.536 8.501 -9.084 930 HD2 TYR 112 HD2 TYR 112 4.666 7.306 -6.398 931 HE1 TYR 112 HE1 TYR 112 2.572 7.156 -10.892 932 HE2 TYR 112 HE2 TYR 112 5.702 5.959 -8.205 933 HH TYR 112 HH TYR 112 4.852 6.277 -11.449 934 H LEU 113 H LEU 113 1.595 7.205 -3.686 935 HA LEU 113 HA LEU 113 -0.169 9.201 -2.336 936 HB2 LEU 113 HB3 LEU 113 0.104 6.460 -2.164 937 HB3 LEU 113 HB2 LEU 113 1.045 7.017 -0.781 938 HG LEU 113 HG LEU 113 -1.336 6.658 -0.184 939 HD11 LEU 113 HD11 LEU 113 -1.138 8.360 1.283 940 HD12 LEU 113 HD12 LEU 113 -1.333 9.558 0.004 941 HD13 LEU 113 HD13 LEU 113 0.264 8.898 0.359 942 HD21 LEU 113 HD21 LEU 113 -2.087 9.049 -1.827 943 HD22 LEU 113 HD22 LEU 113 -3.092 7.704 -1.285 944 HD23 LEU 113 HD23 LEU 113 -1.975 7.484 -2.632 945 H ILE 114 H ILE 114 3.127 7.837 -2.208 946 HA ILE 114 HA ILE 114 3.910 10.021 -0.315 947 HB ILE 114 HB ILE 114 5.032 7.305 -1.044 948 HG12 ILE 114 HG13 ILE 114 4.121 8.489 1.598 949 HG13 ILE 114 HG12 ILE 114 3.125 7.454 0.573 950 HG21 ILE 114 HG21 ILE 114 6.859 9.001 -0.760 951 HG22 ILE 114 HG22 ILE 114 6.878 7.742 0.474 952 HG23 ILE 114 HG23 ILE 114 6.236 9.340 0.855 953 HD11 ILE 114 HD11 ILE 114 4.187 5.581 1.261 954 HD12 ILE 114 HD12 ILE 114 4.856 6.574 2.556 955 HD13 ILE 114 HD13 ILE 114 5.776 6.321 1.072 956 H LYS 115 H LYS 115 5.628 8.169 -2.853 957 HA LYS 115 HA LYS 115 7.324 8.920 -4.322 958 HB2 LYS 115 HB3 LYS 115 6.277 10.259 -5.996 959 HB3 LYS 115 HB2 LYS 115 4.997 9.292 -5.282 960 HG2 LYS 115 HG3 LYS 115 4.095 11.109 -4.110 961 HG3 LYS 115 HG2 LYS 115 5.592 12.036 -4.190 962 HD2 LYS 115 HD3 LYS 115 5.213 12.730 -6.365 963 HD3 LYS 115 HD2 LYS 115 4.236 11.316 -6.758 964 HE2 LYS 115 HE3 LYS 115 2.451 12.716 -6.487 965 HE3 LYS 115 HE2 LYS 115 2.762 12.544 -4.747 966 HZ1 LYS 115 HZ1 LYS 115 4.237 14.403 -4.804 967 HZ2 LYS 115 HZ2 LYS 115 2.781 14.887 -5.533 968 HZ3 LYS 115 HZ3 LYS 115 4.133 14.517 -6.493 Start of MODEL 10 1 H1 GLY 1 H GLY 1 8.940 -12.336 11.484 2 HA2 GLY 1 HA3 GLY 1 8.463 -11.027 9.286 3 HA3 GLY 1 HA2 GLY 1 7.049 -11.784 10.022 4 H SER 2 H SER 2 5.667 -10.445 11.375 5 HA SER 2 HA SER 2 4.463 -8.452 11.778 6 HB2 SER 2 HB3 SER 2 6.768 -6.688 11.614 7 HB3 SER 2 HB2 SER 2 5.827 -7.150 13.028 8 HG SER 2 HG SER 2 7.047 -9.142 12.994 9 H ASP 3 H ASP 3 5.437 -9.244 8.890 10 HA ASP 3 HA ASP 3 5.606 -6.704 7.468 11 HB2 ASP 3 HB3 ASP 3 5.358 -8.276 5.499 12 HB3 ASP 3 HB2 ASP 3 6.658 -8.712 6.610 13 H THR 4 H THR 4 3.029 -8.945 8.358 14 HA THR 4 HA THR 4 0.981 -8.132 6.584 15 HB THR 4 HB THR 4 0.965 -9.023 9.483 16 HG1 THR 4 HG1 THR 4 0.927 -10.977 8.644 17 HG21 THR 4 HG21 THR 4 -1.447 -9.785 8.394 18 HG22 THR 4 HG22 THR 4 -1.218 -8.177 7.707 19 HG23 THR 4 HG23 THR 4 -1.212 -8.397 9.456 20 H GLN 5 H GLN 5 1.860 -6.770 9.780 21 HA GLN 5 HA GLN 5 -0.168 -4.777 9.912 22 HB2 GLN 5 HB3 GLN 5 2.628 -5.083 11.010 23 HB3 GLN 5 HB2 GLN 5 1.642 -3.676 11.406 24 HG2 GLN 5 HG3 GLN 5 -0.191 -5.462 11.983 25 HG3 GLN 5 HG2 GLN 5 1.183 -6.562 12.107 26 HE21 GLN 5 HE21 GLN 5 1.873 -6.713 14.238 27 HE22 GLN 5 HE22 GLN 5 1.907 -5.432 15.350 28 H LEU 6 H LEU 6 2.966 -4.798 8.260 29 HA LEU 6 HA LEU 6 3.189 -2.011 7.697 30 HB2 LEU 6 HB3 LEU 6 4.423 -4.508 7.011 31 HB3 LEU 6 HB2 LEU 6 4.188 -3.578 5.530 32 HG LEU 6 HG LEU 6 5.074 -1.718 7.447 33 HD11 LEU 6 HD11 LEU 6 6.228 -4.424 7.837 34 HD12 LEU 6 HD12 LEU 6 6.111 -3.076 8.967 35 HD13 LEU 6 HD13 LEU 6 7.388 -3.098 7.751 36 HD21 LEU 6 HD21 LEU 6 5.554 -2.214 4.875 37 HD22 LEU 6 HD22 LEU 6 6.983 -3.011 5.534 38 HD23 LEU 6 HD23 LEU 6 6.703 -1.297 5.849 39 H PHE 7 H PHE 7 1.548 -4.635 5.924 40 HA PHE 7 HA PHE 7 0.705 -2.896 3.742 41 HB2 PHE 7 HB3 PHE 7 0.577 -4.987 2.882 42 HB3 PHE 7 HB2 PHE 7 0.753 -5.689 4.485 43 HD1 PHE 7 HD1 PHE 7 -1.894 -3.801 2.590 44 HD2 PHE 7 HD2 PHE 7 -0.943 -7.143 5.115 45 HE1 PHE 7 HE1 PHE 7 -4.269 -4.514 2.543 46 HE2 PHE 7 HE2 PHE 7 -3.317 -7.857 5.066 47 HZ PHE 7 HZ PHE 7 -4.979 -6.541 3.782 48 H ASN 8 H ASN 8 -0.746 -4.103 6.749 49 HA ASN 8 HA ASN 8 -3.441 -3.349 6.335 50 HB2 ASN 8 HB3 ASN 8 -1.587 -3.652 8.676 51 HB3 ASN 8 HB2 ASN 8 -3.205 -3.005 8.950 52 HD21 ASN 8 HD21 ASN 8 -1.416 -5.889 7.923 53 HD22 ASN 8 HD22 ASN 8 -2.741 -6.948 7.989 54 H ARG 9 H ARG 9 -0.821 -1.423 7.872 55 HA ARG 9 HA ARG 9 -2.407 0.958 8.160 56 HB2 ARG 9 HB3 ARG 9 -0.194 1.987 8.585 57 HB3 ARG 9 HB2 ARG 9 -0.356 0.450 9.431 58 HG2 ARG 9 HG3 ARG 9 1.100 -0.656 7.973 59 HG3 ARG 9 HG2 ARG 9 0.860 0.521 6.683 60 HD2 ARG 9 HD3 ARG 9 2.011 1.587 9.210 61 HD3 ARG 9 HD2 ARG 9 3.066 0.543 8.236 62 HE ARG 9 HE ARG 9 1.974 2.179 6.332 63 HH11 ARG 9 HH11 ARG 9 3.438 2.756 9.410 64 HH12 ARG 9 HH12 ARG 9 4.063 4.306 8.963 65 HH21 ARG 9 HH21 ARG 9 2.799 4.195 5.741 66 HH22 ARG 9 HH22 ARG 9 3.705 5.119 6.892 67 H ALA 10 H ALA 10 -0.404 -0.308 5.547 68 HA ALA 10 HA ALA 10 -0.279 2.097 3.967 69 HB1 ALA 10 HB1 ALA 10 0.469 -0.692 3.856 70 HB2 ALA 10 HB2 ALA 10 1.149 0.664 2.954 71 HB3 ALA 10 HB3 ALA 10 -0.244 -0.210 2.315 72 H VAL 11 H VAL 11 -2.393 -0.786 3.756 73 HA VAL 11 HA VAL 11 -4.078 0.232 1.677 74 HB VAL 11 HB VAL 11 -3.631 -2.130 2.940 75 HG11 VAL 11 HG11 VAL 11 -4.966 -1.294 4.931 76 HG12 VAL 11 HG12 VAL 11 -5.528 -2.817 4.242 77 HG13 VAL 11 HG13 VAL 11 -6.389 -1.318 3.890 78 HG21 VAL 11 HG21 VAL 11 -5.371 -1.099 0.923 79 HG22 VAL 11 HG22 VAL 11 -6.254 -2.312 1.849 80 HG23 VAL 11 HG23 VAL 11 -4.723 -2.732 1.081 81 H SER 12 H SER 12 -4.180 0.484 5.208 82 HA SER 12 HA SER 12 -6.820 1.530 5.493 83 HB2 SER 12 HB3 SER 12 -5.270 0.641 7.267 84 HB3 SER 12 HB2 SER 12 -4.332 2.126 7.125 85 HG SER 12 HG SER 12 -5.745 2.613 8.679 86 H MET 13 H MET 13 -3.681 3.218 5.136 87 HA MET 13 HA MET 13 -4.878 5.858 5.129 88 HB2 MET 13 HB3 MET 13 -2.592 6.536 4.471 89 HB3 MET 13 HB2 MET 13 -2.550 5.376 5.796 90 HG2 MET 13 HG3 MET 13 -1.562 3.763 4.523 91 HG3 MET 13 HG2 MET 13 -2.487 4.189 3.087 92 HE1 MET 13 HE1 MET 13 1.431 4.085 3.291 93 HE2 MET 13 HE2 MET 13 0.348 3.729 4.635 94 HE3 MET 13 HE3 MET 13 1.388 5.150 4.704 95 H VAL 14 H VAL 14 -4.135 3.464 2.658 96 HA VAL 14 HA VAL 14 -4.382 5.237 0.380 97 HB VAL 14 HB VAL 14 -4.603 2.238 0.776 98 HG11 VAL 14 HG11 VAL 14 -5.134 2.006 -1.400 99 HG12 VAL 14 HG12 VAL 14 -3.833 3.097 -1.882 100 HG13 VAL 14 HG13 VAL 14 -5.417 3.747 -1.457 101 HG21 VAL 14 HG21 VAL 14 -2.425 3.868 1.048 102 HG22 VAL 14 HG22 VAL 14 -2.333 3.469 -0.668 103 HG23 VAL 14 HG23 VAL 14 -2.334 2.182 0.537 104 H GLU 15 H GLU 15 -6.649 3.049 2.064 105 HA GLU 15 HA GLU 15 -8.840 3.581 0.216 106 HB2 GLU 15 HB3 GLU 15 -10.080 2.192 1.777 107 HB3 GLU 15 HB2 GLU 15 -8.466 1.504 1.595 108 HG2 GLU 15 HG3 GLU 15 -8.307 1.599 3.844 109 HG3 GLU 15 HG2 GLU 15 -8.169 3.346 3.657 110 H LYS 16 H LYS 16 -7.555 5.154 3.040 111 HA LYS 16 HA LYS 16 -10.071 6.699 3.452 112 HB2 LYS 16 HB3 LYS 16 -9.075 7.283 5.560 113 HB3 LYS 16 HB2 LYS 16 -8.734 5.571 5.308 114 HG2 LYS 16 HG3 LYS 16 -6.591 6.190 5.774 115 HG3 LYS 16 HG2 LYS 16 -6.578 6.685 4.080 116 HD2 LYS 16 HD3 LYS 16 -7.496 8.947 4.934 117 HD3 LYS 16 HD2 LYS 16 -6.981 8.401 6.529 118 HE2 LYS 16 HE3 LYS 16 -4.739 7.839 5.079 119 HE3 LYS 16 HE2 LYS 16 -5.336 9.277 4.226 120 HZ1 LYS 16 HZ1 LYS 16 -5.787 9.952 6.771 121 HZ2 LYS 16 HZ2 LYS 16 -4.370 10.365 5.929 122 HZ3 LYS 16 HZ3 LYS 16 -4.387 9.013 6.958 123 H ASN 17 H ASN 17 -6.974 6.957 1.957 124 HA ASN 17 HA ASN 17 -6.331 9.690 2.194 125 HB2 ASN 17 HB3 ASN 17 -5.393 7.517 0.857 126 HB3 ASN 17 HB2 ASN 17 -6.088 8.430 -0.483 127 HD21 ASN 17 HD21 ASN 17 -4.690 9.940 -1.379 128 HD22 ASN 17 HD22 ASN 17 -3.393 10.674 -0.569 129 H LYS 18 H LYS 18 -7.560 11.463 1.698 130 HA LYS 18 HA LYS 18 -10.084 11.460 0.454 131 HB2 LYS 18 HB3 LYS 18 -9.577 13.917 0.148 132 HB3 LYS 18 HB2 LYS 18 -9.240 13.313 1.770 133 HG2 LYS 18 HG3 LYS 18 -6.843 12.842 0.647 134 HG3 LYS 18 HG2 LYS 18 -7.350 14.205 -0.350 135 HD2 LYS 18 HD3 LYS 18 -7.823 15.508 1.714 136 HD3 LYS 18 HD2 LYS 18 -7.228 14.157 2.679 137 HE2 LYS 18 HE3 LYS 18 -5.313 14.856 0.601 138 HE3 LYS 18 HE2 LYS 18 -5.673 16.248 1.644 139 HZ1 LYS 18 HZ1 LYS 18 -5.160 15.038 3.563 140 HZ2 LYS 18 HZ2 LYS 18 -3.922 14.621 2.476 141 HZ3 LYS 18 HZ3 LYS 18 -5.207 13.546 2.756 142 H ASP 19 H ASP 19 -6.875 12.004 -1.020 143 HA ASP 19 HA ASP 19 -7.768 12.614 -3.659 144 HB2 ASP 19 HB3 ASP 19 -5.272 11.412 -2.449 145 HB3 ASP 19 HB2 ASP 19 -5.399 11.718 -4.182 146 H ILE 20 H ILE 20 -6.910 9.484 -2.151 147 HA ILE 20 HA ILE 20 -7.451 7.944 -4.560 148 HB ILE 20 HB ILE 20 -7.262 7.147 -1.635 149 HG12 ILE 20 HG13 ILE 20 -5.274 8.379 -2.424 150 HG13 ILE 20 HG12 ILE 20 -4.895 6.674 -2.177 151 HG21 ILE 20 HG21 ILE 20 -7.010 4.935 -2.357 152 HG22 ILE 20 HG22 ILE 20 -6.553 5.418 -3.990 153 HG23 ILE 20 HG23 ILE 20 -8.234 5.541 -3.472 154 HD11 ILE 20 HD11 ILE 20 -5.845 6.899 -4.834 155 HD12 ILE 20 HD12 ILE 20 -4.194 6.565 -4.313 156 HD13 ILE 20 HD13 ILE 20 -4.709 8.227 -4.599 157 H ARG 21 H ARG 21 -9.292 8.824 -1.651 158 HA ARG 21 HA ARG 21 -11.505 7.112 -1.843 159 HB2 ARG 21 HB3 ARG 21 -11.124 8.729 -0.043 160 HB3 ARG 21 HB2 ARG 21 -11.345 10.069 -1.167 161 HG2 ARG 21 HG3 ARG 21 -13.660 8.820 -1.623 162 HG3 ARG 21 HG2 ARG 21 -13.381 8.233 0.018 163 HD2 ARG 21 HD3 ARG 21 -14.683 10.340 0.059 164 HD3 ARG 21 HD2 ARG 21 -13.081 10.594 0.780 165 HE ARG 21 HE ARG 21 -12.733 11.092 -1.946 166 HH11 ARG 21 HH11 ARG 21 -14.704 12.277 0.632 167 HH12 ARG 21 HH12 ARG 21 -14.827 13.874 -0.026 168 HH21 ARG 21 HH21 ARG 21 -12.898 13.164 -2.818 169 HH22 ARG 21 HH22 ARG 21 -13.806 14.376 -1.978 170 H SER 22 H SER 22 -10.876 10.137 -3.623 171 HA SER 22 HA SER 22 -13.383 10.205 -5.038 172 HB2 SER 22 HB3 SER 22 -12.458 12.186 -5.625 173 HB3 SER 22 HB2 SER 22 -11.004 11.709 -4.754 174 HG SER 22 HG SER 22 -10.357 12.064 -6.815 175 H LEU 23 H LEU 23 -10.306 8.577 -5.617 176 HA LEU 23 HA LEU 23 -10.783 7.871 -8.376 177 HB2 LEU 23 HB3 LEU 23 -9.132 6.393 -6.305 178 HB3 LEU 23 HB2 LEU 23 -8.860 6.455 -8.047 179 HG LEU 23 HG LEU 23 -8.497 8.676 -6.028 180 HD11 LEU 23 HD11 LEU 23 -6.290 8.310 -6.350 181 HD12 LEU 23 HD12 LEU 23 -6.483 8.238 -8.102 182 HD13 LEU 23 HD13 LEU 23 -6.763 6.797 -7.124 183 HD21 LEU 23 HD21 LEU 23 -9.308 10.064 -7.638 184 HD22 LEU 23 HD22 LEU 23 -9.235 8.813 -8.879 185 HD23 LEU 23 HD23 LEU 23 -7.789 9.736 -8.470 186 H LEU 24 H LEU 24 -11.426 6.251 -5.274 187 HA LEU 24 HA LEU 24 -12.563 3.876 -6.587 188 HB2 LEU 24 HB3 LEU 24 -11.721 4.797 -3.931 189 HB3 LEU 24 HB2 LEU 24 -13.193 3.829 -3.882 190 HG LEU 24 HG LEU 24 -11.112 2.453 -3.694 191 HD11 LEU 24 HD11 LEU 24 -11.748 0.833 -5.495 192 HD12 LEU 24 HD12 LEU 24 -12.808 2.066 -6.178 193 HD13 LEU 24 HD13 LEU 24 -13.131 1.418 -4.570 194 HD21 LEU 24 HD21 LEU 24 -9.660 3.823 -5.123 195 HD22 LEU 24 HD22 LEU 24 -10.673 3.464 -6.523 196 HD23 LEU 24 HD23 LEU 24 -9.743 2.179 -5.753 197 H GLN 25 H GLN 25 -13.681 6.983 -5.751 198 HA GLN 25 HA GLN 25 -15.852 7.914 -5.633 199 HB2 GLN 25 HB3 GLN 25 -16.557 5.355 -7.102 200 HB3 GLN 25 HB2 GLN 25 -17.382 6.910 -7.213 201 HG2 GLN 25 HG3 GLN 25 -15.393 7.922 -8.219 202 HG3 GLN 25 HG2 GLN 25 -14.510 6.411 -8.046 203 HE21 GLN 25 HE21 GLN 25 -15.430 4.511 -9.274 204 HE22 GLN 25 HE22 GLN 25 -16.245 4.800 -10.736 205 H CYS 26 H CYS 26 -15.056 6.383 -3.346 206 HA CYS 26 HA CYS 26 -17.595 4.976 -2.594 207 HB2 CYS 26 HB3 CYS 26 -16.193 3.726 -1.054 208 HB3 CYS 26 HB2 CYS 26 -15.407 3.719 -2.633 209 HG CYS 26 HG CYS 26 -14.358 6.062 -1.102 210 H ASP 27 H ASP 27 -17.405 5.049 0.131 211 HA ASP 27 HA ASP 27 -17.851 7.924 0.718 212 HB2 ASP 27 HB3 ASP 27 -18.549 5.262 1.917 213 HB3 ASP 27 HB2 ASP 27 -18.612 6.699 2.939 214 H ASP 28 H ASP 28 -17.038 8.669 2.940 215 HA ASP 28 HA ASP 28 -14.875 7.407 4.304 216 HB2 ASP 28 HB3 ASP 28 -14.300 8.741 1.752 217 HB3 ASP 28 HB2 ASP 28 -13.295 9.330 3.078 218 H GLY 29 H GLY 29 -16.187 8.438 5.987 219 HA2 GLY 29 HA3 GLY 29 -15.581 11.353 6.270 220 HA3 GLY 29 HA2 GLY 29 -17.142 10.681 6.747 221 H ILE 30 H ILE 30 -15.078 12.032 8.418 222 HA ILE 30 HA ILE 30 -13.572 10.285 10.033 223 HB ILE 30 HB ILE 30 -13.343 12.635 10.262 224 HG12 ILE 30 HG13 ILE 30 -13.443 11.162 12.424 225 HG13 ILE 30 HG12 ILE 30 -13.420 12.915 12.588 226 HG21 ILE 30 HG21 ILE 30 -15.302 13.606 9.486 227 HG22 ILE 30 HG22 ILE 30 -15.459 13.904 11.217 228 HG23 ILE 30 HG23 ILE 30 -16.331 12.566 10.470 229 HD11 ILE 30 HD11 ILE 30 -15.478 12.945 13.518 230 HD12 ILE 30 HD12 ILE 30 -15.322 11.197 13.680 231 HD13 ILE 30 HD13 ILE 30 -16.135 11.882 12.274 232 H THR 31 H THR 31 -17.046 10.838 9.974 233 HA THR 31 HA THR 31 -17.471 9.378 12.506 234 HB THR 31 HB THR 31 -18.733 11.444 11.536 235 HG1 THR 31 HG1 THR 31 -20.384 10.881 12.791 236 HG21 THR 31 HG21 THR 31 -19.172 9.746 9.424 237 HG22 THR 31 HG22 THR 31 -20.150 11.170 9.783 238 HG23 THR 31 HG23 THR 31 -20.671 9.578 10.338 239 H GLY 32 H GLY 32 -17.151 8.603 9.178 240 HA2 GLY 32 HA3 GLY 32 -17.546 5.808 9.610 241 HA3 GLY 32 HA2 GLY 32 -19.009 6.479 8.888 242 H LYS 33 H LYS 33 -16.320 4.890 8.049 243 HA LYS 33 HA LYS 33 -16.062 6.319 5.420 244 HB2 LYS 33 HB3 LYS 33 -14.106 4.716 7.096 245 HB3 LYS 33 HB2 LYS 33 -13.767 5.221 5.441 246 HG2 LYS 33 HG3 LYS 33 -12.945 7.113 6.379 247 HG3 LYS 33 HG2 LYS 33 -14.635 7.566 6.603 248 HD2 LYS 33 HD3 LYS 33 -13.387 7.761 8.722 249 HD3 LYS 33 HD2 LYS 33 -14.623 6.508 8.834 250 HE2 LYS 33 HE3 LYS 33 -12.277 5.901 9.735 251 HE3 LYS 33 HE2 LYS 33 -12.999 4.754 8.590 252 HZ1 LYS 33 HZ1 LYS 33 -10.623 5.625 8.140 253 HZ2 LYS 33 HZ2 LYS 33 -11.408 7.033 7.607 254 HZ3 LYS 33 HZ3 LYS 33 -11.722 5.543 6.852 255 H GLU 34 H GLU 34 -15.640 4.819 3.571 256 HA GLU 34 HA GLU 34 -17.406 2.514 3.626 257 HB2 GLU 34 HB3 GLU 34 -17.114 3.882 1.635 258 HB3 GLU 34 HB2 GLU 34 -15.376 3.585 1.639 259 HG2 GLU 34 HG3 GLU 34 -16.717 2.166 0.007 260 HG3 GLU 34 HG2 GLU 34 -15.686 1.263 1.118 261 H ARG 35 H ARG 35 -16.809 0.319 3.718 262 HA ARG 35 HA ARG 35 -14.106 -0.225 4.795 263 HB2 ARG 35 HB3 ARG 35 -16.304 -1.036 5.780 264 HB3 ARG 35 HB2 ARG 35 -16.450 -2.098 4.378 265 HG2 ARG 35 HG3 ARG 35 -13.833 -2.496 5.299 266 HG3 ARG 35 HG2 ARG 35 -14.818 -2.425 6.762 267 HD2 ARG 35 HD3 ARG 35 -16.266 -4.190 5.969 268 HD3 ARG 35 HD2 ARG 35 -15.509 -4.156 4.363 269 HE ARG 35 HE ARG 35 -13.562 -4.573 6.483 270 HH11 ARG 35 HH11 ARG 35 -15.930 -6.038 4.439 271 HH12 ARG 35 HH12 ARG 35 -15.202 -7.606 4.500 272 HH21 ARG 35 HH21 ARG 35 -12.611 -6.622 6.581 273 HH22 ARG 35 HH22 ARG 35 -13.327 -7.938 5.711 274 H LEU 36 H LEU 36 -12.539 -0.678 3.327 275 HA LEU 36 HA LEU 36 -13.276 -2.171 0.839 276 HB2 LEU 36 HB3 LEU 36 -10.916 -0.390 1.533 277 HB3 LEU 36 HB2 LEU 36 -11.194 -1.143 -0.040 278 HG LEU 36 HG LEU 36 -13.303 0.588 1.236 279 HD11 LEU 36 HD11 LEU 36 -10.717 1.394 0.101 280 HD12 LEU 36 HD12 LEU 36 -11.851 2.318 1.087 281 HD13 LEU 36 HD13 LEU 36 -12.101 2.183 -0.654 282 HD21 LEU 36 HD21 LEU 36 -13.352 0.923 -1.492 283 HD22 LEU 36 HD22 LEU 36 -14.333 -0.249 -0.612 284 HD23 LEU 36 HD23 LEU 36 -12.810 -0.749 -1.346 285 H LYS 37 H LYS 37 -12.042 -4.045 0.322 286 HA LYS 37 HA LYS 37 -10.438 -5.121 2.612 287 HB2 LYS 37 HB3 LYS 37 -12.617 -6.082 0.995 288 HB3 LYS 37 HB2 LYS 37 -11.228 -7.154 0.804 289 HG2 LYS 37 HG3 LYS 37 -11.229 -6.652 3.521 290 HG3 LYS 37 HG2 LYS 37 -12.950 -6.736 3.143 291 HD2 LYS 37 HD3 LYS 37 -12.318 -8.982 3.601 292 HD3 LYS 37 HD2 LYS 37 -12.394 -8.880 1.843 293 HE2 LYS 37 HE3 LYS 37 -9.774 -8.094 2.471 294 HE3 LYS 37 HE2 LYS 37 -10.102 -9.483 3.526 295 HZ1 LYS 37 HZ1 LYS 37 -11.082 -10.596 1.538 296 HZ2 LYS 37 HZ2 LYS 37 -9.405 -10.342 1.435 297 HZ3 LYS 37 HZ3 LYS 37 -10.474 -9.331 0.585 298 H ALA 38 H ALA 38 -8.337 -5.579 2.252 299 HA ALA 38 HA ALA 38 -7.361 -6.002 -0.542 300 HB1 ALA 38 HB1 ALA 38 -5.456 -4.495 0.032 301 HB2 ALA 38 HB2 ALA 38 -6.211 -4.172 1.593 302 HB3 ALA 38 HB3 ALA 38 -7.004 -3.653 0.106 303 H TYR 39 H TYR 39 -5.456 -7.365 -0.617 304 HA TYR 39 HA TYR 39 -4.329 -8.386 1.913 305 HB2 TYR 39 HB3 TYR 39 -5.007 -10.738 1.281 306 HB3 TYR 39 HB2 TYR 39 -6.360 -9.692 1.709 307 HD1 TYR 39 HD1 TYR 39 -7.583 -8.472 -0.209 308 HD2 TYR 39 HD2 TYR 39 -4.941 -11.802 -0.820 309 HE1 TYR 39 HE1 TYR 39 -8.599 -8.869 -2.436 310 HE2 TYR 39 HE2 TYR 39 -5.956 -12.199 -3.047 311 HH TYR 39 HH TYR 39 -8.703 -11.302 -4.001 312 H GLY 40 H GLY 40 -2.567 -10.029 1.415 313 HA2 GLY 40 HA3 GLY 40 -1.385 -9.502 -1.280 314 HA3 GLY 40 HA2 GLY 40 -0.411 -9.638 0.187 315 H GLU 41 H GLU 41 -0.336 -11.286 -2.276 316 HA GLU 41 HA GLU 41 -0.464 -13.931 -0.943 317 HB2 GLU 41 HB3 GLU 41 -1.966 -14.839 -2.582 318 HB3 GLU 41 HB2 GLU 41 -2.686 -13.322 -2.043 319 HG2 GLU 41 HG3 GLU 41 -1.901 -12.162 -4.002 320 HG3 GLU 41 HG2 GLU 41 -0.923 -13.543 -4.495 321 H LEU 42 H LEU 42 0.587 -15.623 -2.346 322 HA LEU 42 HA LEU 42 2.396 -14.510 -4.447 323 HB2 LEU 42 HB3 LEU 42 3.053 -15.293 -1.748 324 HB3 LEU 42 HB2 LEU 42 3.858 -16.377 -2.884 325 HG LEU 42 HG LEU 42 4.270 -13.961 -4.091 326 HD11 LEU 42 HD11 LEU 42 5.221 -12.745 -1.861 327 HD12 LEU 42 HD12 LEU 42 3.779 -13.515 -1.200 328 HD13 LEU 42 HD13 LEU 42 3.638 -12.393 -2.553 329 HD21 LEU 42 HD21 LEU 42 5.956 -15.716 -3.636 330 HD22 LEU 42 HD22 LEU 42 5.988 -15.240 -1.939 331 HD23 LEU 42 HD23 LEU 42 6.559 -14.123 -3.179 332 H ILE 43 H ILE 43 3.717 -16.601 -5.322 333 HA ILE 43 HA ILE 43 1.871 -18.307 -6.624 334 HB ILE 43 HB ILE 43 3.934 -19.645 -7.106 335 HG12 ILE 43 HG13 ILE 43 5.944 -18.063 -6.010 336 HG13 ILE 43 HG12 ILE 43 4.785 -18.232 -4.693 337 HG21 ILE 43 HG21 ILE 43 5.070 -16.996 -7.412 338 HG22 ILE 43 HG22 ILE 43 3.345 -16.980 -7.779 339 HG23 ILE 43 HG23 ILE 43 4.421 -18.076 -8.645 340 HD11 ILE 43 HD11 ILE 43 4.773 -20.713 -5.110 341 HD12 ILE 43 HD12 ILE 43 6.333 -20.092 -4.567 342 HD13 ILE 43 HD13 ILE 43 6.080 -20.472 -6.270 343 H THR 44 H THR 44 1.610 -20.656 -6.328 344 HA THR 44 HA THR 44 2.353 -21.965 -3.842 345 HB THR 44 HB THR 44 -0.416 -20.797 -4.235 346 HG1 THR 44 HG1 THR 44 0.942 -20.727 -1.827 347 HG21 THR 44 HG21 THR 44 -1.333 -22.488 -3.076 348 HG22 THR 44 HG22 THR 44 -0.138 -22.296 -1.793 349 HG23 THR 44 HG23 THR 44 0.207 -23.344 -3.169 350 H ASN 45 H ASN 45 0.133 -21.805 -6.604 351 HA ASN 45 HA ASN 45 0.787 -24.427 -7.561 352 HB2 ASN 45 HB3 ASN 45 -1.333 -25.555 -6.880 353 HB3 ASN 45 HB2 ASN 45 -0.358 -25.085 -5.488 354 HD21 ASN 45 HD21 ASN 45 -2.513 -25.132 -4.294 355 HD22 ASN 45 HD22 ASN 45 -3.512 -23.763 -4.383 356 H ASP 46 H ASP 46 -2.319 -24.652 -8.178 357 HA ASP 46 HA ASP 46 -2.207 -22.773 -10.495 358 HB2 ASP 46 HB3 ASP 46 -3.520 -25.417 -9.911 359 HB3 ASP 46 HB2 ASP 46 -4.042 -24.432 -11.277 360 H LYS 47 H LYS 47 -3.148 -22.320 -7.653 361 HA LYS 47 HA LYS 47 -5.973 -21.505 -8.245 362 HB2 LYS 47 HB3 LYS 47 -4.650 -21.883 -5.546 363 HB3 LYS 47 HB2 LYS 47 -6.378 -21.820 -5.900 364 HG2 LYS 47 HG3 LYS 47 -4.518 -23.955 -6.978 365 HG3 LYS 47 HG2 LYS 47 -5.497 -24.151 -5.524 366 HD2 LYS 47 HD3 LYS 47 -6.951 -23.184 -7.919 367 HD3 LYS 47 HD2 LYS 47 -6.356 -24.842 -8.008 368 HE2 LYS 47 HE3 LYS 47 -7.404 -24.757 -5.456 369 HE3 LYS 47 HE2 LYS 47 -8.535 -23.736 -6.365 370 HZ1 LYS 47 HZ1 LYS 47 -7.569 -26.243 -7.561 371 HZ2 LYS 47 HZ2 LYS 47 -9.025 -25.411 -7.837 372 HZ3 LYS 47 HZ3 LYS 47 -8.813 -26.309 -6.411 373 H TRP 48 H TRP 48 -6.032 -19.805 -5.860 374 HA TRP 48 HA TRP 48 -3.972 -17.785 -5.982 375 HB2 TRP 48 HB3 TRP 48 -5.900 -16.157 -7.022 376 HB3 TRP 48 HB2 TRP 48 -4.655 -16.932 -7.996 377 HD1 TRP 48 HD1 TRP 48 -8.279 -17.576 -6.811 378 HE1 TRP 48 HE1 TRP 48 -9.473 -18.980 -8.615 379 HE3 TRP 48 HE3 TRP 48 -4.391 -18.375 -10.023 380 HZ2 TRP 48 HZ2 TRP 48 -8.858 -20.270 -11.095 381 HZ3 TRP 48 HZ3 TRP 48 -4.721 -19.692 -12.095 382 HH2 TRP 48 HH2 TRP 48 -6.947 -20.640 -12.634 383 H THR 49 H THR 49 -7.347 -18.589 -5.258 384 HA THR 49 HA THR 49 -7.907 -16.452 -3.446 385 HB THR 49 HB THR 49 -9.032 -19.133 -2.882 386 HG1 THR 49 HG1 THR 49 -10.214 -18.664 -5.039 387 HG21 THR 49 HG21 THR 49 -10.931 -17.280 -3.877 388 HG22 THR 49 HG22 THR 49 -9.806 -16.364 -2.874 389 HG23 THR 49 HG23 THR 49 -10.664 -17.749 -2.197 390 H ARG 50 H ARG 50 -8.644 -18.415 -1.214 391 HA ARG 50 HA ARG 50 -7.715 -19.073 0.853 392 HB2 ARG 50 HB3 ARG 50 -5.462 -19.621 -1.097 393 HB3 ARG 50 HB2 ARG 50 -5.473 -20.195 0.569 394 HG2 ARG 50 HG3 ARG 50 -7.907 -20.754 -1.047 395 HG3 ARG 50 HG2 ARG 50 -6.453 -21.659 -1.470 396 HD2 ARG 50 HD3 ARG 50 -6.227 -22.210 1.020 397 HD3 ARG 50 HD2 ARG 50 -7.879 -21.588 1.201 398 HE ARG 50 HE ARG 50 -7.585 -23.492 -1.000 399 HH11 ARG 50 HH11 ARG 50 -8.186 -23.007 2.368 400 HH12 ARG 50 HH12 ARG 50 -9.042 -24.499 2.559 401 HH21 ARG 50 HH21 ARG 50 -8.681 -25.446 -0.754 402 HH22 ARG 50 HH22 ARG 50 -9.323 -25.879 0.796 403 H ASN 51 H ASN 51 -7.300 -17.431 2.290 404 HA ASN 51 HA ASN 51 -5.501 -15.219 1.625 405 HB2 ASN 51 HB3 ASN 51 -6.181 -14.499 3.934 406 HB3 ASN 51 HB2 ASN 51 -7.553 -14.868 2.888 407 HD21 ASN 51 HD21 ASN 51 -6.639 -15.282 5.996 408 HD22 ASN 51 HD22 ASN 51 -7.353 -16.785 6.332 409 H ARG 52 H ARG 52 -3.328 -15.700 1.660 410 HA ARG 52 HA ARG 52 -2.260 -17.405 3.875 411 HB2 ARG 52 HB3 ARG 52 -0.359 -17.692 2.355 412 HB3 ARG 52 HB2 ARG 52 -1.854 -17.994 1.469 413 HG2 ARG 52 HG3 ARG 52 -1.324 -16.369 0.012 414 HG3 ARG 52 HG2 ARG 52 -1.302 -15.194 1.327 415 HD2 ARG 52 HD3 ARG 52 0.892 -15.117 0.344 416 HD3 ARG 52 HD2 ARG 52 1.078 -16.062 1.836 417 HE ARG 52 HE ARG 52 0.340 -17.796 -0.334 418 HH11 ARG 52 HH11 ARG 52 2.944 -15.930 0.959 419 HH12 ARG 52 HH12 ARG 52 4.174 -16.950 0.291 420 HH21 ARG 52 HH21 ARG 52 1.935 -19.129 -1.208 421 HH22 ARG 52 HH22 ARG 52 3.604 -18.758 -0.935 422 HA PRO 53 HA PRO 53 -0.224 -14.046 5.812 423 HB2 PRO 53 HB3 PRO 53 2.353 -15.016 6.123 424 HB3 PRO 53 HB2 PRO 53 0.989 -15.458 7.168 425 HG2 PRO 53 HG3 PRO 53 2.184 -16.941 4.888 426 HG3 PRO 53 HG2 PRO 53 1.552 -17.552 6.426 427 HD2 PRO 53 HD3 PRO 53 0.166 -17.746 4.122 428 HD3 PRO 53 HD2 PRO 53 -0.635 -17.518 5.693 429 H ILE 54 H ILE 54 1.427 -12.365 5.399 430 HA ILE 54 HA ILE 54 2.056 -12.172 2.506 431 HB ILE 54 HB ILE 54 2.264 -10.185 4.793 432 HG12 ILE 54 HG13 ILE 54 -0.040 -10.817 4.510 433 HG13 ILE 54 HG12 ILE 54 0.163 -9.277 3.671 434 HG21 ILE 54 HG21 ILE 54 2.104 -8.586 2.752 435 HG22 ILE 54 HG22 ILE 54 2.584 -9.989 1.797 436 HG23 ILE 54 HG23 ILE 54 3.652 -9.373 3.059 437 HD11 ILE 54 HD11 ILE 54 -0.406 -11.957 2.571 438 HD12 ILE 54 HD12 ILE 54 0.820 -11.042 1.693 439 HD13 ILE 54 HD13 ILE 54 -0.794 -10.366 1.920 440 H VAL 55 H VAL 55 4.110 -12.410 1.740 441 HA VAL 55 HA VAL 55 6.291 -12.732 3.740 442 HB VAL 55 HB VAL 55 5.642 -14.516 2.035 443 HG11 VAL 55 HG11 VAL 55 5.678 -12.399 0.281 444 HG12 VAL 55 HG12 VAL 55 5.750 -14.096 -0.194 445 HG13 VAL 55 HG13 VAL 55 7.237 -13.160 -0.037 446 HG21 VAL 55 HG21 VAL 55 7.979 -14.071 3.182 447 HG22 VAL 55 HG22 VAL 55 8.473 -13.641 1.545 448 HG23 VAL 55 HG23 VAL 55 7.848 -15.256 1.882 449 H SER 56 H SER 56 8.300 -11.595 3.401 450 HA SER 56 HA SER 56 8.131 -9.297 1.479 451 HB2 SER 56 HB3 SER 56 9.539 -9.050 4.101 452 HB3 SER 56 HB2 SER 56 8.652 -7.830 3.194 453 HG SER 56 HG SER 56 7.799 -9.516 5.138 454 H THR 57 H THR 57 10.133 -8.630 0.578 455 HA THR 57 HA THR 57 12.295 -10.671 0.768 456 HB THR 57 HB THR 57 13.020 -9.555 -1.369 457 HG1 THR 57 HG1 THR 57 11.081 -8.196 -2.139 458 HG21 THR 57 HG21 THR 57 10.115 -10.413 -1.254 459 HG22 THR 57 HG22 THR 57 11.501 -11.492 -1.412 460 HG23 THR 57 HG23 THR 57 11.112 -10.361 -2.708 461 H LYS 58 H LYS 58 14.435 -10.017 1.315 462 HA LYS 58 HA LYS 58 14.726 -7.170 2.220 463 HB2 LYS 58 HB3 LYS 58 16.102 -8.198 4.092 464 HB3 LYS 58 HB2 LYS 58 14.381 -8.580 4.145 465 HG2 LYS 58 HG3 LYS 58 14.775 -10.752 3.130 466 HG3 LYS 58 HG2 LYS 58 16.480 -10.368 2.883 467 HD2 LYS 58 HD3 LYS 58 16.500 -11.657 4.854 468 HD3 LYS 58 HD2 LYS 58 16.543 -10.000 5.455 469 HE2 LYS 58 HE3 LYS 58 14.469 -10.169 6.396 470 HE3 LYS 58 HE2 LYS 58 13.817 -11.068 5.012 471 HZ1 LYS 58 HZ1 LYS 58 14.489 -13.044 5.849 472 HZ2 LYS 58 HZ2 LYS 58 14.361 -12.227 7.334 473 HZ3 LYS 58 HZ3 LYS 58 15.876 -12.401 6.583 474 H LYS 59 H LYS 59 16.421 -6.195 1.207 475 HA LYS 59 HA LYS 59 18.699 -7.907 0.262 476 HB2 LYS 59 HB3 LYS 59 16.950 -5.919 -1.051 477 HB3 LYS 59 HB2 LYS 59 18.671 -5.699 -1.375 478 HG2 LYS 59 HG3 LYS 59 17.760 -7.194 -3.058 479 HG3 LYS 59 HG2 LYS 59 18.807 -8.127 -1.989 480 HD2 LYS 59 HD3 LYS 59 17.092 -9.396 -1.241 481 HD3 LYS 59 HD2 LYS 59 16.042 -7.993 -1.032 482 HE2 LYS 59 HE3 LYS 59 14.901 -8.944 -2.790 483 HE3 LYS 59 HE2 LYS 59 16.149 -8.139 -3.761 484 HZ1 LYS 59 HZ1 LYS 59 17.513 -10.083 -3.657 485 HZ2 LYS 59 HZ2 LYS 59 15.976 -10.560 -4.200 486 HZ3 LYS 59 HZ3 LYS 59 16.439 -10.855 -2.593 487 H LEU 60 H LEU 60 20.714 -7.199 0.945 488 HA LEU 60 HA LEU 60 20.823 -4.518 2.290 489 HB2 LEU 60 HB3 LEU 60 22.571 -5.682 3.725 490 HB3 LEU 60 HB2 LEU 60 20.929 -6.304 3.902 491 HG LEU 60 HG LEU 60 22.505 -7.581 1.757 492 HD11 LEU 60 HD11 LEU 60 24.346 -7.967 3.004 493 HD12 LEU 60 HD12 LEU 60 23.331 -8.977 4.033 494 HD13 LEU 60 HD13 LEU 60 23.593 -7.281 4.443 495 HD21 LEU 60 HD21 LEU 60 21.403 -9.273 3.846 496 HD22 LEU 60 HD22 LEU 60 20.958 -9.179 2.142 497 HD23 LEU 60 HD23 LEU 60 20.216 -8.085 3.310 498 H ASP 61 H ASP 61 22.467 -3.173 1.657 499 HA ASP 61 HA ASP 61 24.255 -4.090 -0.534 500 HB2 ASP 61 HB3 ASP 61 22.962 -1.622 0.380 501 HB3 ASP 61 HB2 ASP 61 24.652 -1.378 -0.061 502 H LYS 62 H LYS 62 26.389 -2.336 -0.146 503 HA LYS 62 HA LYS 62 27.982 -3.720 1.820 504 HB2 LYS 62 HB3 LYS 62 29.645 -1.978 1.171 505 HB3 LYS 62 HB2 LYS 62 28.865 -2.702 -0.236 506 HG2 LYS 62 HG3 LYS 62 27.214 -0.547 0.544 507 HG3 LYS 62 HG2 LYS 62 28.869 0.060 0.605 508 HD2 LYS 62 HD3 LYS 62 28.558 -1.568 -1.742 509 HD3 LYS 62 HD2 LYS 62 27.265 -0.368 -1.699 510 HE2 LYS 62 HE3 LYS 62 28.792 1.448 -1.662 511 HE3 LYS 62 HE2 LYS 62 30.149 0.403 -1.191 512 HZ1 LYS 62 HZ1 LYS 62 30.061 0.963 -3.616 513 HZ2 LYS 62 HZ2 LYS 62 28.625 0.059 -3.715 514 HZ3 LYS 62 HZ3 LYS 62 30.080 -0.698 -3.273 515 H GLU 63 H GLU 63 25.785 -1.071 2.043 516 HA GLU 63 HA GLU 63 27.039 0.120 4.432 517 HB2 GLU 63 HB3 GLU 63 24.662 0.602 2.665 518 HB3 GLU 63 HB2 GLU 63 24.705 1.361 4.257 519 HG2 GLU 63 HG3 GLU 63 27.017 2.226 3.661 520 HG3 GLU 63 HG2 GLU 63 26.711 1.674 2.013 521 H GLY 64 H GLY 64 24.872 -2.437 3.732 522 HA2 GLY 64 HA3 GLY 64 24.017 -3.980 5.348 523 HA3 GLY 64 HA2 GLY 64 24.329 -2.790 6.613 524 H ARG 65 H ARG 65 22.869 -1.111 4.177 525 HA ARG 65 HA ARG 65 20.394 -0.772 5.615 526 HB2 ARG 65 HB3 ARG 65 21.604 0.840 4.065 527 HB3 ARG 65 HB2 ARG 65 21.011 -0.133 2.716 528 HG2 ARG 65 HG3 ARG 65 19.108 1.069 2.783 529 HG3 ARG 65 HG2 ARG 65 18.763 0.320 4.343 530 HD2 ARG 65 HD3 ARG 65 18.723 2.805 4.504 531 HD3 ARG 65 HD2 ARG 65 20.039 2.126 5.482 532 HE ARG 65 HE ARG 65 20.944 2.616 2.791 533 HH11 ARG 65 HH11 ARG 65 20.129 4.136 5.784 534 HH12 ARG 65 HH12 ARG 65 21.187 5.485 5.535 535 HH21 ARG 65 HH21 ARG 65 22.316 4.378 2.451 536 HH22 ARG 65 HH22 ARG 65 22.422 5.622 3.652 537 H THR 66 H THR 66 18.627 -2.103 5.556 538 HA THR 66 HA THR 66 18.490 -4.215 3.463 539 HB THR 66 HB THR 66 17.197 -3.713 6.149 540 HG1 THR 66 HG1 THR 66 19.138 -5.386 5.062 541 HG21 THR 66 HG21 THR 66 15.397 -4.713 5.070 542 HG22 THR 66 HG22 THR 66 16.277 -6.127 5.649 543 HG23 THR 66 HG23 THR 66 16.432 -5.620 3.967 544 H HIS 67 H HIS 67 17.029 -4.060 1.812 545 HA HIS 67 HA HIS 67 14.948 -1.914 1.954 546 HB2 HIS 67 HB3 HIS 67 16.390 -3.377 -0.270 547 HB3 HIS 67 HB2 HIS 67 14.983 -2.362 -0.583 548 HD1 HIS 67 HD1 HIS 67 18.149 -1.852 -1.327 549 HD2 HIS 67 HD2 HIS 67 15.856 0.090 1.564 550 HE1 HIS 67 HE1 HIS 67 19.265 0.383 -0.909 551 H HIS 68 H HIS 68 12.788 -2.502 1.864 552 HA HIS 68 HA HIS 68 12.195 -5.426 1.536 553 HB2 HIS 68 HB3 HIS 68 11.187 -3.234 3.332 554 HB3 HIS 68 HB2 HIS 68 10.167 -4.637 3.009 555 HD1 HIS 68 HD1 HIS 68 10.510 -5.297 5.573 556 HD2 HIS 68 HD2 HIS 68 13.964 -5.411 3.242 557 HE1 HIS 68 HE1 HIS 68 12.230 -6.600 6.901 558 H TYR 69 H TYR 69 10.501 -5.990 0.159 559 HA TYR 69 HA TYR 69 9.081 -3.751 -1.253 560 HB2 TYR 69 HB3 TYR 69 10.129 -6.402 -2.306 561 HB3 TYR 69 HB2 TYR 69 9.232 -5.222 -3.261 562 HD1 TYR 69 HD1 TYR 69 10.306 -3.314 -4.190 563 HD2 TYR 69 HD2 TYR 69 12.353 -5.735 -1.292 564 HE1 TYR 69 HE1 TYR 69 12.410 -2.088 -4.654 565 HE2 TYR 69 HE2 TYR 69 14.459 -4.508 -1.753 566 HH TYR 69 HH TYR 69 14.559 -1.878 -4.170 567 H MET 70 H MET 70 6.900 -3.884 -0.838 568 HA MET 70 HA MET 70 5.683 -6.608 -0.549 569 HB2 MET 70 HB3 MET 70 6.233 -5.115 1.575 570 HB3 MET 70 HB2 MET 70 4.749 -4.287 1.104 571 HG2 MET 70 HG3 MET 70 3.427 -6.189 1.431 572 HG3 MET 70 HG2 MET 70 4.795 -7.288 1.264 573 HE1 MET 70 HE1 MET 70 2.359 -6.618 3.011 574 HE2 MET 70 HE2 MET 70 2.631 -5.891 4.592 575 HE3 MET 70 HE3 MET 70 2.890 -7.620 4.369 576 H ARG 71 H ARG 71 3.611 -6.794 -1.447 577 HA ARG 71 HA ARG 71 2.219 -4.358 -2.424 578 HB2 ARG 71 HB3 ARG 71 2.123 -5.431 -4.718 579 HB3 ARG 71 HB2 ARG 71 3.738 -4.918 -4.228 580 HG2 ARG 71 HG3 ARG 71 4.492 -7.026 -4.429 581 HG3 ARG 71 HG2 ARG 71 3.294 -7.579 -3.259 582 HD2 ARG 71 HD3 ARG 71 1.972 -8.460 -4.886 583 HD3 ARG 71 HD2 ARG 71 2.138 -7.017 -5.906 584 HE ARG 71 HE ARG 71 3.916 -8.098 -7.017 585 HH11 ARG 71 HH11 ARG 71 3.369 -9.445 -3.883 586 HH12 ARG 71 HH12 ARG 71 4.548 -10.698 -4.074 587 HH21 ARG 71 HH21 ARG 71 5.445 -9.738 -7.283 588 HH22 ARG 71 HH22 ARG 71 5.721 -10.864 -5.996 589 H PHE 72 H PHE 72 -0.026 -4.697 -2.580 590 HA PHE 72 HA PHE 72 -1.074 -7.474 -2.371 591 HB2 PHE 72 HB3 PHE 72 -2.438 -6.763 -0.397 592 HB3 PHE 72 HB2 PHE 72 -0.706 -6.711 -0.073 593 HD1 PHE 72 HD1 PHE 72 -3.492 -4.534 -1.329 594 HD2 PHE 72 HD2 PHE 72 0.235 -4.758 0.793 595 HE1 PHE 72 HE1 PHE 72 -3.666 -2.124 -0.769 596 HE2 PHE 72 HE2 PHE 72 0.062 -2.349 1.353 597 HZ PHE 72 HZ PHE 72 -1.889 -1.031 0.572 598 H HIS 73 H HIS 73 -3.303 -7.610 -3.043 599 HA HIS 73 HA HIS 73 -4.151 -5.384 -4.797 600 HB2 HIS 73 HB3 HIS 73 -5.346 -8.123 -4.262 601 HB3 HIS 73 HB2 HIS 73 -5.733 -7.066 -5.619 602 HD1 HIS 73 HD1 HIS 73 -4.793 -9.517 -6.740 603 HD2 HIS 73 HD2 HIS 73 -2.016 -6.797 -5.233 604 HE1 HIS 73 HE1 HIS 73 -2.573 -10.092 -7.814 605 H VAL 74 H VAL 74 -6.307 -4.464 -4.638 606 HA VAL 74 HA VAL 74 -7.601 -4.773 -1.948 607 HB VAL 74 HB VAL 74 -7.331 -2.218 -3.555 608 HG11 VAL 74 HG11 VAL 74 -7.530 -1.558 -0.907 609 HG12 VAL 74 HG12 VAL 74 -8.518 -3.018 -0.970 610 HG13 VAL 74 HG13 VAL 74 -8.903 -1.646 -2.010 611 HG21 VAL 74 HG21 VAL 74 -5.488 -3.513 -1.563 612 HG22 VAL 74 HG22 VAL 74 -5.593 -1.754 -1.637 613 HG23 VAL 74 HG23 VAL 74 -5.088 -2.669 -3.058 614 H GLU 75 H GLU 75 -9.776 -5.207 -2.105 615 HA GLU 75 HA GLU 75 -11.071 -4.901 -4.787 616 HB2 GLU 75 HB3 GLU 75 -10.852 -6.994 -2.899 617 HB3 GLU 75 HB2 GLU 75 -12.532 -6.463 -2.840 618 HG2 GLU 75 HG3 GLU 75 -12.790 -6.780 -5.220 619 HG3 GLU 75 HG2 GLU 75 -11.064 -7.086 -5.416 620 H SER 76 H SER 76 -12.669 -3.381 -4.971 621 HA SER 76 HA SER 76 -13.814 -2.228 -2.450 622 HB2 SER 76 HB3 SER 76 -14.106 -0.740 -4.971 623 HB3 SER 76 HB2 SER 76 -13.495 -0.191 -3.413 624 HG SER 76 HG SER 76 -11.524 -0.659 -4.024 625 H LYS 77 H LYS 77 -16.103 -1.292 -2.884 626 HA LYS 77 HA LYS 77 -17.805 -3.435 -3.892 627 HB2 LYS 77 HB3 LYS 77 -17.968 -0.969 -2.328 628 HB3 LYS 77 HB2 LYS 77 -19.349 -1.161 -3.410 629 HG2 LYS 77 HG3 LYS 77 -18.359 -3.357 -1.575 630 HG3 LYS 77 HG2 LYS 77 -19.641 -2.228 -1.133 631 HD2 LYS 77 HD3 LYS 77 -19.892 -3.616 -3.760 632 HD3 LYS 77 HD2 LYS 77 -20.175 -4.577 -2.308 633 HE2 LYS 77 HE3 LYS 77 -21.488 -1.879 -2.562 634 HE3 LYS 77 HE2 LYS 77 -22.198 -3.287 -3.377 635 HZ1 LYS 77 HZ1 LYS 77 -22.980 -3.003 -1.055 636 HZ2 LYS 77 HZ2 LYS 77 -21.386 -3.248 -0.520 637 HZ3 LYS 77 HZ3 LYS 77 -22.214 -4.492 -1.329 638 H LYS 78 H LYS 78 -16.312 -0.683 -5.297 639 HA LYS 78 HA LYS 78 -18.326 -0.583 -7.507 640 HB2 LYS 78 HB3 LYS 78 -16.028 1.306 -6.953 641 HB3 LYS 78 HB2 LYS 78 -17.491 1.624 -7.884 642 HG2 LYS 78 HG3 LYS 78 -18.610 0.943 -5.522 643 HG3 LYS 78 HG2 LYS 78 -17.087 1.614 -4.940 644 HD2 LYS 78 HD3 LYS 78 -17.520 3.731 -5.858 645 HD3 LYS 78 HD2 LYS 78 -18.715 3.099 -6.992 646 HE2 LYS 78 HE3 LYS 78 -19.896 2.393 -4.651 647 HE3 LYS 78 HE2 LYS 78 -19.047 3.865 -4.140 648 HZ1 LYS 78 HZ1 LYS 78 -20.577 5.044 -5.210 649 HZ2 LYS 78 HZ2 LYS 78 -21.330 3.637 -5.792 650 HZ3 LYS 78 HZ3 LYS 78 -20.071 4.357 -6.677 651 H LYS 79 H LYS 79 -14.941 -1.275 -6.778 652 HA LYS 79 HA LYS 79 -14.600 -2.710 -9.284 653 HB2 LYS 79 HB3 LYS 79 -12.848 -1.077 -10.133 654 HB3 LYS 79 HB2 LYS 79 -14.504 -0.471 -10.177 655 HG2 LYS 79 HG3 LYS 79 -13.569 0.174 -7.611 656 HG3 LYS 79 HG2 LYS 79 -12.226 0.546 -8.693 657 HD2 LYS 79 HD3 LYS 79 -14.095 1.656 -10.171 658 HD3 LYS 79 HD2 LYS 79 -14.999 1.695 -8.657 659 HE2 LYS 79 HE3 LYS 79 -13.797 3.477 -7.947 660 HE3 LYS 79 HE2 LYS 79 -12.280 2.593 -8.206 661 HZ1 LYS 79 HZ1 LYS 79 -12.497 4.557 -9.665 662 HZ2 LYS 79 HZ2 LYS 79 -13.881 3.862 -10.365 663 HZ3 LYS 79 HZ3 LYS 79 -12.368 3.107 -10.535 664 H ILE 80 H ILE 80 -11.883 -2.732 -9.541 665 HA ILE 80 HA ILE 80 -10.894 -3.513 -6.816 666 HB ILE 80 HB ILE 80 -10.214 -4.725 -9.515 667 HG12 ILE 80 HG13 ILE 80 -12.140 -5.701 -7.379 668 HG13 ILE 80 HG12 ILE 80 -12.608 -5.039 -8.946 669 HG21 ILE 80 HG21 ILE 80 -8.824 -4.883 -7.172 670 HG22 ILE 80 HG22 ILE 80 -8.848 -6.162 -8.384 671 HG23 ILE 80 HG23 ILE 80 -9.927 -6.246 -6.991 672 HD11 ILE 80 HD11 ILE 80 -10.622 -7.177 -9.177 673 HD12 ILE 80 HD12 ILE 80 -12.164 -6.983 -10.011 674 HD13 ILE 80 HD13 ILE 80 -12.114 -7.716 -8.408 675 H ALA 81 H ALA 81 -8.765 -2.874 -6.312 676 HA ALA 81 HA ALA 81 -7.314 -1.279 -8.399 677 HB1 ALA 81 HB1 ALA 81 -7.485 0.552 -7.081 678 HB2 ALA 81 HB2 ALA 81 -6.958 -0.350 -5.660 679 HB3 ALA 81 HB3 ALA 81 -8.660 -0.351 -6.125 680 H LEU 82 H LEU 82 -4.980 -1.174 -8.038 681 HA LEU 82 HA LEU 82 -3.945 -3.458 -6.387 682 HB2 LEU 82 HB3 LEU 82 -3.783 -2.929 -9.112 683 HB3 LEU 82 HB2 LEU 82 -2.227 -2.365 -8.502 684 HG LEU 82 HG LEU 82 -2.049 -4.725 -9.097 685 HD11 LEU 82 HD11 LEU 82 -1.359 -5.634 -6.885 686 HD12 LEU 82 HD12 LEU 82 -2.171 -4.283 -6.098 687 HD13 LEU 82 HD13 LEU 82 -0.778 -3.988 -7.137 688 HD21 LEU 82 HD21 LEU 82 -3.491 -6.261 -7.460 689 HD22 LEU 82 HD22 LEU 82 -4.151 -5.692 -8.994 690 HD23 LEU 82 HD23 LEU 82 -4.573 -4.867 -7.493 691 H VAL 83 H VAL 83 -2.394 -2.936 -4.836 692 HA VAL 83 HA VAL 83 -1.448 -0.089 -4.796 693 HB VAL 83 HB VAL 83 -1.935 -2.031 -2.518 694 HG11 VAL 83 HG11 VAL 83 -0.945 -0.502 -1.194 695 HG12 VAL 83 HG12 VAL 83 -1.956 0.784 -1.856 696 HG13 VAL 83 HG13 VAL 83 -0.438 0.360 -2.648 697 HG21 VAL 83 HG21 VAL 83 -3.987 -1.300 -3.795 698 HG22 VAL 83 HG22 VAL 83 -3.581 0.365 -3.378 699 HG23 VAL 83 HG23 VAL 83 -3.973 -0.792 -2.106 700 H HIS 84 H HIS 84 0.721 0.161 -4.971 701 HA HIS 84 HA HIS 84 2.496 -2.153 -4.249 702 HB2 HIS 84 HB3 HIS 84 2.164 -0.523 -6.665 703 HB3 HIS 84 HB2 HIS 84 3.839 -0.584 -6.115 704 HD1 HIS 84 HD1 HIS 84 4.961 -2.962 -5.963 705 HD2 HIS 84 HD2 HIS 84 1.159 -2.958 -7.675 706 HE1 HIS 84 HE1 HIS 84 4.678 -5.216 -7.085 707 H LEU 85 H LEU 85 4.094 -1.629 -2.758 708 HA LEU 85 HA LEU 85 4.809 1.250 -2.407 709 HB2 LEU 85 HB3 LEU 85 4.367 1.108 -0.043 710 HB3 LEU 85 HB2 LEU 85 2.945 0.472 -0.871 711 HG LEU 85 HG LEU 85 4.191 -1.833 -0.639 712 HD11 LEU 85 HD11 LEU 85 5.679 0.007 1.179 713 HD12 LEU 85 HD12 LEU 85 6.256 -1.407 0.300 714 HD13 LEU 85 HD13 LEU 85 5.322 -1.610 1.780 715 HD21 LEU 85 HD21 LEU 85 3.275 -1.820 1.867 716 HD22 LEU 85 HD22 LEU 85 2.172 -1.739 0.493 717 HD23 LEU 85 HD23 LEU 85 2.610 -0.267 1.360 718 H GLU 86 H GLU 86 6.875 1.569 -1.410 719 HA GLU 86 HA GLU 86 8.580 -0.884 -1.129 720 HB2 GLU 86 HB3 GLU 86 8.645 1.003 -3.175 721 HB3 GLU 86 HB2 GLU 86 9.918 1.548 -2.083 722 HG2 GLU 86 HG3 GLU 86 9.944 -1.351 -2.455 723 HG3 GLU 86 HG2 GLU 86 10.163 -0.476 -3.971 724 H ALA 87 H ALA 87 9.556 -0.909 0.880 725 HA ALA 87 HA ALA 87 9.652 1.673 2.399 726 HB1 ALA 87 HB1 ALA 87 8.284 -0.396 3.124 727 HB2 ALA 87 HB2 ALA 87 9.329 0.342 4.337 728 HB3 ALA 87 HB3 ALA 87 9.840 -1.129 3.509 729 H LYS 88 H LYS 88 11.563 2.192 3.552 730 HA LYS 88 HA LYS 88 13.981 0.518 2.984 731 HB2 LYS 88 HB3 LYS 88 14.079 2.271 1.384 732 HB3 LYS 88 HB2 LYS 88 13.461 3.461 2.529 733 HG2 LYS 88 HG3 LYS 88 15.569 3.112 3.887 734 HG3 LYS 88 HG2 LYS 88 16.189 2.146 2.548 735 HD2 LYS 88 HD3 LYS 88 17.023 4.209 1.936 736 HD3 LYS 88 HD2 LYS 88 15.449 4.291 1.142 737 HE2 LYS 88 HE3 LYS 88 14.591 5.336 3.349 738 HE3 LYS 88 HE2 LYS 88 16.305 5.583 3.738 739 HZ1 LYS 88 HZ1 LYS 88 16.255 6.369 1.200 740 HZ2 LYS 88 HZ2 LYS 88 16.022 7.436 2.500 741 HZ3 LYS 88 HZ3 LYS 88 14.684 6.814 1.658 742 H GLU 89 H GLU 89 15.344 0.340 4.779 743 HA GLU 89 HA GLU 89 14.427 1.677 7.280 744 HB2 GLU 89 HB3 GLU 89 15.729 -0.096 8.355 745 HB3 GLU 89 HB2 GLU 89 14.697 -0.805 7.113 746 HG2 GLU 89 HG3 GLU 89 16.569 -1.750 6.276 747 HG3 GLU 89 HG2 GLU 89 17.023 -0.133 5.735 748 H SER 90 H SER 90 15.651 3.278 8.219 749 HA SER 90 HA SER 90 18.395 3.767 7.102 750 HB2 SER 90 HB3 SER 90 17.748 6.166 7.959 751 HB3 SER 90 HB2 SER 90 17.053 5.578 6.452 752 HG SER 90 HG SER 90 15.897 5.826 9.003 753 H LYS 91 H LYS 91 20.028 4.379 8.635 754 HA LYS 91 HA LYS 91 21.073 4.494 10.758 755 HB2 LYS 91 HB3 LYS 91 18.405 5.446 11.034 756 HB3 LYS 91 HB2 LYS 91 18.721 4.412 12.425 757 HG2 LYS 91 HG3 LYS 91 20.351 6.796 11.509 758 HG3 LYS 91 HG2 LYS 91 19.429 6.648 13.005 759 HD2 LYS 91 HD3 LYS 91 21.274 4.441 12.777 760 HD3 LYS 91 HD2 LYS 91 22.141 5.966 12.595 761 HE2 LYS 91 HE3 LYS 91 20.351 6.448 14.696 762 HE3 LYS 91 HE2 LYS 91 20.974 4.814 15.001 763 HZ1 LYS 91 HZ1 LYS 91 22.408 6.689 15.838 764 HZ2 LYS 91 HZ2 LYS 91 22.718 7.078 14.213 765 HZ3 LYS 91 HZ3 LYS 91 23.188 5.568 14.832 766 H GLN 92 H GLN 92 19.905 3.232 13.180 767 HA GLN 92 HA GLN 92 20.910 0.608 12.968 768 HB2 GLN 92 HB3 GLN 92 19.833 2.276 14.895 769 HB3 GLN 92 HB2 GLN 92 18.661 0.959 14.828 770 HG2 GLN 92 HG3 GLN 92 20.065 -0.301 16.052 771 HG3 GLN 92 HG2 GLN 92 21.223 -0.244 14.722 772 HE21 GLN 92 HE21 GLN 92 22.524 -0.329 17.044 773 HE22 GLN 92 HE22 GLN 92 23.060 1.197 17.560 774 H ASN 93 H ASN 93 18.927 -1.132 13.879 775 HA ASN 93 HA ASN 93 17.505 -1.744 11.384 776 HB2 ASN 93 HB3 ASN 93 16.834 -3.752 12.754 777 HB3 ASN 93 HB2 ASN 93 18.577 -3.494 12.676 778 HD21 ASN 93 HD21 ASN 93 19.407 -4.006 14.714 779 HD22 ASN 93 HD22 ASN 93 18.747 -3.484 16.188 780 H TYR 94 H TYR 94 16.570 0.700 12.588 781 HA TYR 94 HA TYR 94 14.271 0.410 14.246 782 HB2 TYR 94 HB3 TYR 94 15.522 2.397 12.460 783 HB3 TYR 94 HB2 TYR 94 13.780 2.596 12.641 784 HD1 TYR 94 HD1 TYR 94 17.017 2.949 14.228 785 HD2 TYR 94 HD2 TYR 94 12.789 2.765 14.963 786 HE1 TYR 94 HE1 TYR 94 17.363 3.954 16.470 787 HE2 TYR 94 HE2 TYR 94 13.135 3.770 17.203 788 HH TYR 94 HH TYR 94 14.609 4.775 18.557 789 H GLN 95 H GLN 95 12.058 1.350 13.054 790 HA GLN 95 HA GLN 95 11.101 -0.878 11.456 791 HB2 GLN 95 HB3 GLN 95 9.011 0.421 11.515 792 HB3 GLN 95 HB2 GLN 95 9.769 0.430 13.107 793 HG2 GLN 95 HG3 GLN 95 10.774 2.638 12.606 794 HG3 GLN 95 HG2 GLN 95 9.971 2.635 11.034 795 HE21 GLN 95 HE21 GLN 95 9.483 4.588 13.187 796 HE22 GLN 95 HE22 GLN 95 7.854 4.425 13.632 797 HA PRO 96 HA PRO 96 12.453 0.491 7.472 798 HB2 PRO 96 HB3 PRO 96 9.891 -0.743 6.579 799 HB3 PRO 96 HB2 PRO 96 11.547 -1.055 6.020 800 HG2 PRO 96 HG3 PRO 96 10.227 -2.764 7.611 801 HG3 PRO 96 HG2 PRO 96 11.980 -2.543 7.695 802 HD2 PRO 96 HD3 PRO 96 9.882 -1.654 9.579 803 HD3 PRO 96 HD2 PRO 96 11.596 -2.019 9.876 804 H ASP 97 H ASP 97 11.895 2.229 6.072 805 HA ASP 97 HA ASP 97 9.426 3.739 6.855 806 HB2 ASP 97 HB3 ASP 97 12.231 4.468 6.060 807 HB3 ASP 97 HB2 ASP 97 10.930 5.629 5.788 808 H PHE 98 H PHE 98 7.886 3.879 5.273 809 HA PHE 98 HA PHE 98 8.137 2.747 2.672 810 HB2 PHE 98 HB3 PHE 98 6.297 4.817 3.904 811 HB3 PHE 98 HB2 PHE 98 6.030 4.141 2.299 812 HD1 PHE 98 HD1 PHE 98 5.608 3.644 5.838 813 HD2 PHE 98 HD2 PHE 98 5.867 1.599 2.073 814 HE1 PHE 98 HE1 PHE 98 4.536 1.649 6.849 815 HE2 PHE 98 HE2 PHE 98 4.794 -0.397 3.084 816 HZ PHE 98 HZ PHE 98 4.130 -0.372 5.472 817 H ILE 99 H ILE 99 8.941 3.603 0.765 818 HA ILE 99 HA ILE 99 9.746 6.495 0.794 819 HB ILE 99 HB ILE 99 11.534 5.547 -0.854 820 HG12 ILE 99 HG13 ILE 99 10.789 3.011 0.637 821 HG13 ILE 99 HG12 ILE 99 10.363 3.322 -1.046 822 HG21 ILE 99 HG21 ILE 99 11.727 6.263 1.658 823 HG22 ILE 99 HG22 ILE 99 13.032 5.328 0.930 824 HG23 ILE 99 HG23 ILE 99 11.845 4.529 1.959 825 HD11 ILE 99 HD11 ILE 99 12.751 3.571 -1.610 826 HD12 ILE 99 HD12 ILE 99 12.438 1.991 -0.893 827 HD13 ILE 99 HD13 ILE 99 13.183 3.265 0.073 828 H ASN 100 H ASN 100 7.962 4.024 -0.824 829 HA ASN 100 HA ASN 100 7.129 5.964 -2.893 830 HB2 ASN 100 HB3 ASN 100 8.736 3.454 -3.382 831 HB3 ASN 100 HB2 ASN 100 7.711 4.137 -4.643 832 HD21 ASN 100 HD21 ASN 100 10.851 4.207 -3.505 833 HD22 ASN 100 HD22 ASN 100 11.315 5.737 -4.073 834 H MET 101 H MET 101 4.972 5.642 -3.304 835 HA MET 101 HA MET 101 3.806 2.918 -3.040 836 HB2 MET 101 HB3 MET 101 3.793 4.813 -0.980 837 HB3 MET 101 HB2 MET 101 2.189 4.945 -1.705 838 HG2 MET 101 HG3 MET 101 2.482 2.236 -1.624 839 HG3 MET 101 HG2 MET 101 3.396 2.707 -0.192 840 HE1 MET 101 HE1 MET 101 -0.627 1.898 -0.939 841 HE2 MET 101 HE2 MET 101 0.071 1.171 0.505 842 HE3 MET 101 HE3 MET 101 0.963 1.124 -1.013 843 H TYR 102 H TYR 102 2.409 2.635 -4.744 844 HA TYR 102 HA TYR 102 0.826 4.953 -5.733 845 HB2 TYR 102 HB3 TYR 102 1.644 4.650 -7.990 846 HB3 TYR 102 HB2 TYR 102 3.049 4.781 -6.932 847 HD1 TYR 102 HD1 TYR 102 0.835 2.342 -8.677 848 HD2 TYR 102 HD2 TYR 102 4.608 2.999 -6.733 849 HE1 TYR 102 HE1 TYR 102 1.615 0.115 -9.438 850 HE2 TYR 102 HE2 TYR 102 5.388 0.772 -7.493 851 HH TYR 102 HH TYR 102 3.242 -1.546 -8.896 852 H VAL 103 H VAL 103 -1.102 4.293 -6.822 853 HA VAL 103 HA VAL 103 -1.671 1.349 -6.700 854 HB VAL 103 HB VAL 103 -2.791 2.881 -5.019 855 HG11 VAL 103 HG11 VAL 103 -3.102 4.853 -6.380 856 HG12 VAL 103 HG12 VAL 103 -4.701 4.234 -5.966 857 HG13 VAL 103 HG13 VAL 103 -4.032 3.942 -7.571 858 HG21 VAL 103 HG21 VAL 103 -4.349 1.258 -7.028 859 HG22 VAL 103 HG22 VAL 103 -5.155 2.022 -5.658 860 HG23 VAL 103 HG23 VAL 103 -3.892 0.822 -5.381 861 H ASP 104 H ASP 104 -2.921 0.490 -8.437 862 HA ASP 104 HA ASP 104 -3.162 2.298 -10.824 863 HB2 ASP 104 HB3 ASP 104 -1.419 0.510 -10.907 864 HB3 ASP 104 HB2 ASP 104 -2.684 -0.696 -10.669 865 H VAL 105 H VAL 105 -5.299 2.718 -11.226 866 HA VAL 105 HA VAL 105 -7.304 0.570 -10.617 867 HB VAL 105 HB VAL 105 -7.632 2.493 -9.227 868 HG11 VAL 105 HG11 VAL 105 -7.858 4.782 -10.324 869 HG12 VAL 105 HG12 VAL 105 -7.194 4.051 -11.785 870 HG13 VAL 105 HG13 VAL 105 -6.229 4.106 -10.310 871 HG21 VAL 105 HG21 VAL 105 -9.768 3.475 -10.181 872 HG22 VAL 105 HG22 VAL 105 -9.726 1.712 -10.135 873 HG23 VAL 105 HG23 VAL 105 -9.446 2.563 -11.655 874 HA PRO 106 HA PRO 106 -7.834 0.433 -15.018 875 HB2 PRO 106 HB3 PRO 106 -10.424 -0.844 -14.468 876 HB3 PRO 106 HB2 PRO 106 -8.993 -1.516 -15.268 877 HG2 PRO 106 HG3 PRO 106 -9.811 -2.271 -12.801 878 HG3 PRO 106 HG2 PRO 106 -8.125 -2.324 -13.334 879 HD2 PRO 106 HD3 PRO 106 -9.469 -0.399 -11.517 880 HD3 PRO 106 HD2 PRO 106 -7.788 -0.980 -11.519 881 H GLY 107 H GLY 107 -8.731 1.959 -16.358 882 HA2 GLY 107 HA3 GLY 107 -10.420 3.385 -17.235 883 HA3 GLY 107 HA2 GLY 107 -11.423 3.019 -15.832 884 H GLU 108 H GLU 108 -8.928 3.660 -14.119 885 HA GLU 108 HA GLU 108 -9.241 6.643 -14.257 886 HB2 GLU 108 HB3 GLU 108 -9.112 4.643 -12.005 887 HB3 GLU 108 HB2 GLU 108 -8.718 6.339 -11.718 888 HG2 GLU 108 HG3 GLU 108 -11.100 6.305 -13.258 889 HG3 GLU 108 HG2 GLU 108 -11.312 5.121 -11.969 890 H LYS 109 H LYS 109 -7.322 7.836 -13.366 891 HA LYS 109 HA LYS 109 -4.821 6.690 -14.409 892 HB2 LYS 109 HB3 LYS 109 -5.881 9.139 -14.454 893 HB3 LYS 109 HB2 LYS 109 -5.007 9.287 -12.930 894 HG2 LYS 109 HG3 LYS 109 -3.488 8.063 -15.163 895 HG3 LYS 109 HG2 LYS 109 -3.874 9.774 -15.349 896 HD2 LYS 109 HD3 LYS 109 -2.993 9.225 -12.644 897 HD3 LYS 109 HD2 LYS 109 -1.790 8.675 -13.811 898 HE2 LYS 109 HE3 LYS 109 -3.059 11.426 -13.958 899 HE3 LYS 109 HE2 LYS 109 -1.536 11.108 -13.104 900 HZ1 LYS 109 HZ1 LYS 109 -1.314 11.725 -15.525 901 HZ2 LYS 109 HZ2 LYS 109 -2.022 10.225 -15.892 902 HZ3 LYS 109 HZ3 LYS 109 -0.542 10.288 -15.061 903 H ARG 110 H ARG 110 -3.299 5.707 -13.137 904 HA ARG 110 HA ARG 110 -3.656 4.969 -10.454 905 HB2 ARG 110 HB3 ARG 110 -1.187 4.548 -10.558 906 HB3 ARG 110 HB2 ARG 110 -2.041 3.956 -11.983 907 HG2 ARG 110 HG3 ARG 110 -1.235 6.739 -12.299 908 HG3 ARG 110 HG2 ARG 110 0.149 5.694 -11.975 909 HD2 ARG 110 HD3 ARG 110 -0.840 4.123 -13.780 910 HD3 ARG 110 HD2 ARG 110 -1.834 5.515 -14.250 911 HE ARG 110 HE ARG 110 0.125 6.604 -15.023 912 HH11 ARG 110 HH11 ARG 110 0.847 3.871 -13.035 913 HH12 ARG 110 HH12 ARG 110 2.544 3.912 -13.376 914 HH21 ARG 110 HH21 ARG 110 2.333 6.656 -15.484 915 HH22 ARG 110 HH22 ARG 110 3.385 5.486 -14.758 916 H TYR 111 H TYR 111 -3.185 5.944 -8.492 917 HA TYR 111 HA TYR 111 -2.125 8.752 -8.594 918 HB2 TYR 111 HB3 TYR 111 -4.526 8.467 -7.982 919 HB3 TYR 111 HB2 TYR 111 -4.038 7.432 -6.639 920 HD1 TYR 111 HD1 TYR 111 -2.293 8.443 -4.968 921 HD2 TYR 111 HD2 TYR 111 -4.694 10.783 -7.656 922 HE1 TYR 111 HE1 TYR 111 -1.919 10.448 -3.558 923 HE2 TYR 111 HE2 TYR 111 -4.320 12.787 -6.244 924 HH TYR 111 HH TYR 111 -3.196 13.628 -4.512 925 H TYR 112 H TYR 112 -0.194 9.010 -7.544 926 HA TYR 112 HA TYR 112 1.017 6.812 -6.062 927 HB2 TYR 112 HB3 TYR 112 1.710 9.626 -6.863 928 HB3 TYR 112 HB2 TYR 112 2.731 8.779 -5.700 929 HD1 TYR 112 HD1 TYR 112 1.407 8.737 -9.154 930 HD2 TYR 112 HD2 TYR 112 4.104 6.905 -6.357 931 HE1 TYR 112 HE1 TYR 112 2.485 7.494 -11.008 932 HE2 TYR 112 HE2 TYR 112 5.184 5.663 -8.213 933 HH TYR 112 HH TYR 112 5.442 6.008 -10.749 934 H LEU 113 H LEU 113 1.138 6.583 -3.840 935 HA LEU 113 HA LEU 113 -0.480 8.438 -2.187 936 HB2 LEU 113 HB3 LEU 113 -0.121 5.706 -2.307 937 HB3 LEU 113 HB2 LEU 113 0.894 6.153 -0.933 938 HG LEU 113 HG LEU 113 -1.320 5.725 -0.077 939 HD11 LEU 113 HD11 LEU 113 -0.945 8.723 -0.362 940 HD12 LEU 113 HD12 LEU 113 -0.122 7.714 0.827 941 HD13 LEU 113 HD13 LEU 113 -1.873 7.904 0.894 942 HD21 LEU 113 HD21 LEU 113 -2.177 6.489 -2.578 943 HD22 LEU 113 HD22 LEU 113 -2.675 7.862 -1.589 944 HD23 LEU 113 HD23 LEU 113 -3.236 6.239 -1.189 945 H ILE 114 H ILE 114 2.867 7.266 -2.479 946 HA ILE 114 HA ILE 114 3.693 9.347 -0.481 947 HB ILE 114 HB ILE 114 4.821 6.644 -1.256 948 HG12 ILE 114 HG13 ILE 114 3.801 7.778 1.369 949 HG13 ILE 114 HG12 ILE 114 2.923 6.652 0.334 950 HG21 ILE 114 HG21 ILE 114 6.431 7.284 0.720 951 HG22 ILE 114 HG22 ILE 114 6.029 8.939 0.262 952 HG23 ILE 114 HG23 ILE 114 6.787 7.859 -0.909 953 HD11 ILE 114 HD11 ILE 114 4.374 4.881 0.799 954 HD12 ILE 114 HD12 ILE 114 4.322 5.719 2.351 955 HD13 ILE 114 HD13 ILE 114 5.692 5.956 1.267 956 H LYS 115 H LYS 115 4.878 7.598 -3.385 957 HA LYS 115 HA LYS 115 7.079 9.151 -4.073 958 HB2 LYS 115 HB3 LYS 115 5.569 7.166 -5.202 959 HB3 LYS 115 HB2 LYS 115 5.232 8.513 -6.291 960 HG2 LYS 115 HG3 LYS 115 8.071 8.261 -5.550 961 HG3 LYS 115 HG2 LYS 115 7.442 6.888 -6.462 962 HD2 LYS 115 HD3 LYS 115 6.573 9.498 -7.504 963 HD3 LYS 115 HD2 LYS 115 8.317 9.243 -7.583 964 HE2 LYS 115 HE3 LYS 115 7.108 6.801 -8.397 965 HE3 LYS 115 HE2 LYS 115 6.289 8.108 -9.275 966 HZ1 LYS 115 HZ1 LYS 115 8.176 7.799 -10.543 967 HZ2 LYS 115 HZ2 LYS 115 9.157 7.439 -9.203 968 HZ3 LYS 115 HZ3 LYS 115 8.673 9.040 -9.501 Start of MODEL 11 1 H1 GLY 1 H GLY 1 7.809 -10.695 9.761 2 HA2 GLY 1 HA3 GLY 1 6.042 -12.497 11.369 3 HA3 GLY 1 HA2 GLY 1 7.408 -11.645 12.091 4 H SER 2 H SER 2 6.994 -9.189 10.581 5 HA SER 2 HA SER 2 4.462 -8.234 11.882 6 HB2 SER 2 HB3 SER 2 6.832 -6.477 11.332 7 HB3 SER 2 HB2 SER 2 5.640 -6.363 12.624 8 HG SER 2 HG SER 2 8.016 -7.631 12.587 9 H ASP 3 H ASP 3 5.974 -8.795 8.940 10 HA ASP 3 HA ASP 3 5.448 -6.505 7.368 11 HB2 ASP 3 HB3 ASP 3 5.248 -8.281 5.529 12 HB3 ASP 3 HB2 ASP 3 6.718 -8.343 6.503 13 H THR 4 H THR 4 3.261 -9.067 8.475 14 HA THR 4 HA THR 4 1.025 -8.525 6.808 15 HB THR 4 HB THR 4 1.003 -9.316 9.737 16 HG1 THR 4 HG1 THR 4 2.126 -10.525 7.580 17 HG21 THR 4 HG21 THR 4 -0.756 -10.721 7.891 18 HG22 THR 4 HG22 THR 4 -1.044 -8.981 7.871 19 HG23 THR 4 HG23 THR 4 -1.150 -9.875 9.388 20 H GLN 5 H GLN 5 1.948 -7.109 9.959 21 HA GLN 5 HA GLN 5 -0.329 -5.354 10.166 22 HB2 GLN 5 HB3 GLN 5 2.476 -5.138 11.317 23 HB3 GLN 5 HB2 GLN 5 1.035 -4.334 11.942 24 HG2 GLN 5 HG3 GLN 5 0.003 -6.492 12.443 25 HG3 GLN 5 HG2 GLN 5 1.378 -7.339 11.732 26 HE21 GLN 5 HE21 GLN 5 2.020 -4.413 13.552 27 HE22 GLN 5 HE22 GLN 5 2.671 -5.176 14.920 28 H LEU 6 H LEU 6 2.895 -5.032 8.722 29 HA LEU 6 HA LEU 6 2.871 -2.220 8.230 30 HB2 LEU 6 HB3 LEU 6 4.123 -4.573 6.778 31 HB3 LEU 6 HB2 LEU 6 4.549 -2.889 6.468 32 HG LEU 6 HG LEU 6 4.810 -4.333 9.122 33 HD11 LEU 6 HD11 LEU 6 6.891 -3.248 7.199 34 HD12 LEU 6 HD12 LEU 6 6.527 -4.953 7.457 35 HD13 LEU 6 HD13 LEU 6 7.227 -3.994 8.761 36 HD21 LEU 6 HD21 LEU 6 4.672 -2.251 9.997 37 HD22 LEU 6 HD22 LEU 6 4.695 -1.506 8.398 38 HD23 LEU 6 HD23 LEU 6 6.210 -1.920 9.200 39 H PHE 7 H PHE 7 1.606 -4.961 6.341 40 HA PHE 7 HA PHE 7 0.795 -3.332 4.074 41 HB2 PHE 7 HB3 PHE 7 0.839 -5.459 3.290 42 HB3 PHE 7 HB2 PHE 7 0.906 -6.102 4.927 43 HD1 PHE 7 HD1 PHE 7 -0.762 -7.639 5.407 44 HD2 PHE 7 HD2 PHE 7 -1.659 -4.335 2.812 45 HE1 PHE 7 HE1 PHE 7 -3.097 -8.447 5.187 46 HE2 PHE 7 HE2 PHE 7 -3.992 -5.144 2.589 47 HZ PHE 7 HZ PHE 7 -4.713 -7.199 3.777 48 H ASN 8 H ASN 8 -0.764 -4.506 7.033 49 HA ASN 8 HA ASN 8 -3.463 -3.822 6.391 50 HB2 ASN 8 HB3 ASN 8 -1.796 -4.455 8.748 51 HB3 ASN 8 HB2 ASN 8 -3.237 -3.501 9.107 52 HD21 ASN 8 HD21 ASN 8 -2.581 -6.482 9.573 53 HD22 ASN 8 HD22 ASN 8 -3.899 -7.302 8.888 54 H ARG 9 H ARG 9 -0.999 -1.953 8.224 55 HA ARG 9 HA ARG 9 -2.629 0.413 8.463 56 HB2 ARG 9 HB3 ARG 9 -0.534 1.398 9.250 57 HB3 ARG 9 HB2 ARG 9 -0.669 -0.243 9.882 58 HG2 ARG 9 HG3 ARG 9 0.734 -1.044 7.974 59 HG3 ARG 9 HG2 ARG 9 0.950 0.634 7.474 60 HD2 ARG 9 HD3 ARG 9 1.549 0.035 10.331 61 HD3 ARG 9 HD2 ARG 9 2.695 -0.593 9.129 62 HE ARG 9 HE ARG 9 2.070 2.068 8.384 63 HH11 ARG 9 HH11 ARG 9 3.583 0.304 10.938 64 HH12 ARG 9 HH12 ARG 9 4.673 1.584 11.352 65 HH21 ARG 9 HH21 ARG 9 3.492 3.743 8.910 66 HH22 ARG 9 HH22 ARG 9 4.622 3.528 10.205 67 H ALA 10 H ALA 10 -0.085 -0.573 6.158 68 HA ALA 10 HA ALA 10 0.085 1.849 4.671 69 HB1 ALA 10 HB1 ALA 10 1.145 0.435 3.025 70 HB2 ALA 10 HB2 ALA 10 0.294 -0.989 3.624 71 HB3 ALA 10 HB3 ALA 10 1.548 -0.233 4.607 72 H VAL 11 H VAL 11 -1.942 -1.052 4.093 73 HA VAL 11 HA VAL 11 -3.337 0.037 1.833 74 HB VAL 11 HB VAL 11 -3.033 -2.383 3.060 75 HG11 VAL 11 HG11 VAL 11 -4.600 -1.936 4.862 76 HG12 VAL 11 HG12 VAL 11 -5.326 -3.109 3.764 77 HG13 VAL 11 HG13 VAL 11 -5.833 -1.421 3.712 78 HG21 VAL 11 HG21 VAL 11 -4.121 -3.175 1.210 79 HG22 VAL 11 HG22 VAL 11 -3.991 -1.489 0.713 80 HG23 VAL 11 HG23 VAL 11 -5.492 -2.087 1.419 81 H SER 12 H SER 12 -3.980 0.078 5.327 82 HA SER 12 HA SER 12 -6.636 1.070 5.313 83 HB2 SER 12 HB3 SER 12 -4.818 0.357 7.172 84 HB3 SER 12 HB2 SER 12 -4.672 2.107 7.304 85 HG SER 12 HG SER 12 -6.723 2.242 7.955 86 H MET 13 H MET 13 -3.561 2.915 5.437 87 HA MET 13 HA MET 13 -4.782 5.508 5.268 88 HB2 MET 13 HB3 MET 13 -2.448 6.178 4.668 89 HB3 MET 13 HB2 MET 13 -2.505 5.108 6.069 90 HG2 MET 13 HG3 MET 13 -1.829 3.216 4.771 91 HG3 MET 13 HG2 MET 13 -2.081 4.083 3.255 92 HE1 MET 13 HE1 MET 13 0.991 3.036 3.062 93 HE2 MET 13 HE2 MET 13 1.221 4.617 2.318 94 HE3 MET 13 HE3 MET 13 -0.331 3.797 2.166 95 H VAL 14 H VAL 14 -3.770 3.153 2.845 96 HA VAL 14 HA VAL 14 -3.986 4.938 0.565 97 HB VAL 14 HB VAL 14 -3.959 1.929 0.939 98 HG11 VAL 14 HG11 VAL 14 -5.027 2.337 -1.177 99 HG12 VAL 14 HG12 VAL 14 -3.347 1.929 -1.525 100 HG13 VAL 14 HG13 VAL 14 -3.876 3.611 -1.579 101 HG21 VAL 14 HG21 VAL 14 -1.703 2.116 0.952 102 HG22 VAL 14 HG22 VAL 14 -1.960 3.837 1.237 103 HG23 VAL 14 HG23 VAL 14 -1.714 3.243 -0.405 104 H GLU 15 H GLU 15 -6.185 2.664 2.189 105 HA GLU 15 HA GLU 15 -8.281 2.933 0.161 106 HB2 GLU 15 HB3 GLU 15 -9.505 1.488 1.712 107 HB3 GLU 15 HB2 GLU 15 -7.844 0.909 1.566 108 HG2 GLU 15 HG3 GLU 15 -7.224 1.839 3.665 109 HG3 GLU 15 HG2 GLU 15 -8.685 2.823 3.747 110 H LYS 16 H LYS 16 -7.355 4.643 3.059 111 HA LYS 16 HA LYS 16 -10.028 5.942 3.267 112 HB2 LYS 16 HB3 LYS 16 -9.215 6.681 5.413 113 HB3 LYS 16 HB2 LYS 16 -8.720 4.997 5.232 114 HG2 LYS 16 HG3 LYS 16 -6.486 5.673 4.555 115 HG3 LYS 16 HG2 LYS 16 -6.960 7.372 4.564 116 HD2 LYS 16 HD3 LYS 16 -7.370 5.779 7.064 117 HD3 LYS 16 HD2 LYS 16 -5.732 6.295 6.662 118 HE2 LYS 16 HE3 LYS 16 -8.040 8.252 6.621 119 HE3 LYS 16 HE2 LYS 16 -7.120 7.924 8.103 120 HZ1 LYS 16 HZ1 LYS 16 -5.086 8.441 6.957 121 HZ2 LYS 16 HZ2 LYS 16 -6.154 9.750 6.783 122 HZ3 LYS 16 HZ3 LYS 16 -5.911 8.672 5.493 123 H ASN 17 H ASN 17 -6.866 6.503 1.982 124 HA ASN 17 HA ASN 17 -6.454 9.252 2.175 125 HB2 ASN 17 HB3 ASN 17 -5.452 7.124 0.744 126 HB3 ASN 17 HB2 ASN 17 -6.136 8.129 -0.535 127 HD21 ASN 17 HD21 ASN 17 -4.691 9.663 -1.311 128 HD22 ASN 17 HD22 ASN 17 -3.439 10.372 -0.411 129 H LYS 18 H LYS 18 -7.857 10.916 1.769 130 HA LYS 18 HA LYS 18 -10.356 10.691 0.450 131 HB2 LYS 18 HB3 LYS 18 -10.380 13.086 0.653 132 HB3 LYS 18 HB2 LYS 18 -9.460 12.480 2.031 133 HG2 LYS 18 HG3 LYS 18 -7.354 12.901 0.815 134 HG3 LYS 18 HG2 LYS 18 -8.272 13.516 -0.561 135 HD2 LYS 18 HD3 LYS 18 -9.314 14.969 1.543 136 HD3 LYS 18 HD2 LYS 18 -7.610 14.833 1.980 137 HE2 LYS 18 HE3 LYS 18 -8.330 15.571 -0.846 138 HE3 LYS 18 HE2 LYS 18 -8.373 16.815 0.420 139 HZ1 LYS 18 HZ1 LYS 18 -6.127 15.863 1.109 140 HZ2 LYS 18 HZ2 LYS 18 -6.165 16.815 -0.297 141 HZ3 LYS 18 HZ3 LYS 18 -6.095 15.121 -0.415 142 H ASP 19 H ASP 19 -7.161 11.628 -0.817 143 HA ASP 19 HA ASP 19 -7.945 12.511 -3.397 144 HB2 ASP 19 HB3 ASP 19 -5.483 10.902 -2.642 145 HB3 ASP 19 HB2 ASP 19 -5.622 12.074 -3.953 146 H ILE 20 H ILE 20 -7.007 9.225 -2.315 147 HA ILE 20 HA ILE 20 -7.561 7.944 -4.839 148 HB ILE 20 HB ILE 20 -7.559 6.854 -2.003 149 HG12 ILE 20 HG13 ILE 20 -5.493 8.079 -2.474 150 HG13 ILE 20 HG12 ILE 20 -5.163 6.345 -2.494 151 HG21 ILE 20 HG21 ILE 20 -8.455 5.456 -4.010 152 HG22 ILE 20 HG22 ILE 20 -7.254 4.721 -2.947 153 HG23 ILE 20 HG23 ILE 20 -6.765 5.381 -4.508 154 HD11 ILE 20 HD11 ILE 20 -5.522 6.422 -5.010 155 HD12 ILE 20 HD12 ILE 20 -4.084 7.261 -4.429 156 HD13 ILE 20 HD13 ILE 20 -5.521 8.181 -4.873 157 H ARG 21 H ARG 21 -9.487 8.663 -1.966 158 HA ARG 21 HA ARG 21 -11.752 7.054 -2.390 159 HB2 ARG 21 HB3 ARG 21 -11.959 8.210 -0.432 160 HB3 ARG 21 HB2 ARG 21 -10.993 9.555 -1.028 161 HG2 ARG 21 HG3 ARG 21 -12.982 10.361 -2.309 162 HG3 ARG 21 HG2 ARG 21 -13.936 9.067 -1.583 163 HD2 ARG 21 HD3 ARG 21 -13.752 9.995 0.595 164 HD3 ARG 21 HD2 ARG 21 -12.391 11.033 0.125 165 HE ARG 21 HE ARG 21 -13.937 12.549 -0.833 166 HH11 ARG 21 HH11 ARG 21 -15.355 9.464 -0.203 167 HH12 ARG 21 HH12 ARG 21 -16.962 9.981 -0.591 168 HH21 ARG 21 HH21 ARG 21 -16.030 13.233 -1.337 169 HH22 ARG 21 HH22 ARG 21 -17.343 12.109 -1.232 170 H SER 22 H SER 22 -10.814 10.095 -3.965 171 HA SER 22 HA SER 22 -13.273 10.587 -5.358 172 HB2 SER 22 HB3 SER 22 -10.362 11.283 -5.796 173 HB3 SER 22 HB2 SER 22 -11.626 11.871 -6.872 174 HG SER 22 HG SER 22 -11.644 12.185 -4.050 175 H LEU 23 H LEU 23 -10.358 8.726 -6.206 176 HA LEU 23 HA LEU 23 -11.243 8.026 -8.881 177 HB2 LEU 23 HB3 LEU 23 -9.276 6.635 -7.029 178 HB3 LEU 23 HB2 LEU 23 -9.305 6.549 -8.790 179 HG LEU 23 HG LEU 23 -8.839 9.072 -7.178 180 HD11 LEU 23 HD11 LEU 23 -6.633 8.605 -7.217 181 HD12 LEU 23 HD12 LEU 23 -6.691 8.186 -8.928 182 HD13 LEU 23 HD13 LEU 23 -7.070 6.969 -7.709 183 HD21 LEU 23 HD21 LEU 23 -8.373 10.109 -9.324 184 HD22 LEU 23 HD22 LEU 23 -9.957 9.341 -9.419 185 HD23 LEU 23 HD23 LEU 23 -8.555 8.564 -10.155 186 H LEU 24 H LEU 24 -11.300 6.411 -5.712 187 HA LEU 24 HA LEU 24 -12.575 3.987 -6.688 188 HB2 LEU 24 HB3 LEU 24 -11.137 4.717 -4.521 189 HB3 LEU 24 HB2 LEU 24 -12.759 4.865 -3.847 190 HG LEU 24 HG LEU 24 -11.808 2.600 -3.516 191 HD11 LEU 24 HD11 LEU 24 -14.334 3.238 -4.154 192 HD12 LEU 24 HD12 LEU 24 -13.837 1.568 -3.887 193 HD13 LEU 24 HD13 LEU 24 -13.972 2.195 -5.530 194 HD21 LEU 24 HD21 LEU 24 -11.135 1.234 -5.282 195 HD22 LEU 24 HD22 LEU 24 -10.606 2.815 -5.854 196 HD23 LEU 24 HD23 LEU 24 -12.105 2.113 -6.463 197 H GLN 25 H GLN 25 -13.710 7.142 -6.051 198 HA GLN 25 HA GLN 25 -15.888 8.035 -5.800 199 HB2 GLN 25 HB3 GLN 25 -16.759 5.413 -7.025 200 HB3 GLN 25 HB2 GLN 25 -17.446 7.016 -7.280 201 HG2 GLN 25 HG3 GLN 25 -15.496 7.723 -8.518 202 HG3 GLN 25 HG2 GLN 25 -14.640 6.239 -8.119 203 HE21 GLN 25 HE21 GLN 25 -15.915 4.178 -8.842 204 HE22 GLN 25 HE22 GLN 25 -16.643 4.241 -10.373 205 H CYS 26 H CYS 26 -14.795 6.265 -3.634 206 HA CYS 26 HA CYS 26 -17.155 4.803 -2.626 207 HB2 CYS 26 HB3 CYS 26 -15.546 4.180 -0.839 208 HB3 CYS 26 HB2 CYS 26 -14.863 3.909 -2.442 209 HG CYS 26 HG CYS 26 -13.723 6.386 -2.077 210 H ASP 27 H ASP 27 -16.713 5.323 0.149 211 HA ASP 27 HA ASP 27 -17.497 8.210 0.379 212 HB2 ASP 27 HB3 ASP 27 -18.882 5.709 1.023 213 HB3 ASP 27 HB2 ASP 27 -18.820 6.819 2.392 214 H ASP 28 H ASP 28 -17.261 8.966 2.724 215 HA ASP 28 HA ASP 28 -15.636 7.532 4.614 216 HB2 ASP 28 HB3 ASP 28 -14.118 7.980 2.565 217 HB3 ASP 28 HB2 ASP 28 -14.144 9.667 3.081 218 H GLY 29 H GLY 29 -17.284 8.560 5.965 219 HA2 GLY 29 HA3 GLY 29 -16.559 11.353 6.675 220 HA3 GLY 29 HA2 GLY 29 -18.249 10.999 6.314 221 H ILE 30 H ILE 30 -17.339 11.932 8.858 222 HA ILE 30 HA ILE 30 -16.883 9.941 10.817 223 HB ILE 30 HB ILE 30 -16.756 12.383 11.159 224 HG12 ILE 30 HG13 ILE 30 -18.792 12.064 13.132 225 HG13 ILE 30 HG12 ILE 30 -18.026 10.491 12.903 226 HG21 ILE 30 HG21 ILE 30 -18.430 13.709 10.452 227 HG22 ILE 30 HG22 ILE 30 -19.525 12.957 11.612 228 HG23 ILE 30 HG23 ILE 30 -19.357 12.281 9.992 229 HD11 ILE 30 HD11 ILE 30 -16.459 13.049 13.307 230 HD12 ILE 30 HD12 ILE 30 -15.844 11.396 13.346 231 HD13 ILE 30 HD13 ILE 30 -16.909 11.972 14.629 232 H THR 31 H THR 31 -19.753 10.672 8.987 233 HA THR 31 HA THR 31 -21.619 9.371 10.836 234 HB THR 31 HB THR 31 -22.147 11.251 9.247 235 HG1 THR 31 HG1 THR 31 -23.806 9.913 9.995 236 HG21 THR 31 HG21 THR 31 -20.701 10.205 7.406 237 HG22 THR 31 HG22 THR 31 -22.251 10.878 6.901 238 HG23 THR 31 HG23 THR 31 -22.068 9.134 7.094 239 H GLY 32 H GLY 32 -19.499 8.387 8.269 240 HA2 GLY 32 HA3 GLY 32 -19.700 5.633 8.706 241 HA3 GLY 32 HA2 GLY 32 -20.916 5.996 7.480 242 H LYS 33 H LYS 33 -18.130 4.617 7.456 243 HA LYS 33 HA LYS 33 -17.072 6.173 5.114 244 HB2 LYS 33 HB3 LYS 33 -15.521 4.518 7.128 245 HB3 LYS 33 HB2 LYS 33 -14.849 5.572 5.884 246 HG2 LYS 33 HG3 LYS 33 -15.080 7.395 7.189 247 HG3 LYS 33 HG2 LYS 33 -16.757 6.992 7.559 248 HD2 LYS 33 HD3 LYS 33 -14.290 5.868 8.917 249 HD3 LYS 33 HD2 LYS 33 -15.471 6.969 9.628 250 HE2 LYS 33 HE3 LYS 33 -17.214 5.112 9.033 251 HE3 LYS 33 HE2 LYS 33 -15.793 4.052 8.938 252 HZ1 LYS 33 HZ1 LYS 33 -15.924 5.896 11.193 253 HZ2 LYS 33 HZ2 LYS 33 -15.329 4.307 11.126 254 HZ3 LYS 33 HZ3 LYS 33 -17.001 4.587 11.229 255 H GLU 34 H GLU 34 -16.316 4.901 3.353 256 HA GLU 34 HA GLU 34 -17.585 2.311 3.008 257 HB2 GLU 34 HB3 GLU 34 -17.291 3.881 1.175 258 HB3 GLU 34 HB2 GLU 34 -15.543 3.901 1.424 259 HG2 GLU 34 HG3 GLU 34 -15.494 2.268 -0.154 260 HG3 GLU 34 HG2 GLU 34 -16.053 1.209 1.143 261 H ARG 35 H ARG 35 -16.590 0.265 3.066 262 HA ARG 35 HA ARG 35 -13.836 0.206 4.233 263 HB2 ARG 35 HB3 ARG 35 -16.105 -0.760 5.265 264 HB3 ARG 35 HB2 ARG 35 -15.687 -2.140 4.248 265 HG2 ARG 35 HG3 ARG 35 -13.858 -0.858 6.300 266 HG3 ARG 35 HG2 ARG 35 -14.720 -2.382 6.511 267 HD2 ARG 35 HD3 ARG 35 -13.471 -2.846 4.126 268 HD3 ARG 35 HD2 ARG 35 -12.277 -1.815 4.938 269 HE ARG 35 HE ARG 35 -13.102 -4.491 5.806 270 HH11 ARG 35 HH11 ARG 35 -11.800 -1.413 6.686 271 HH12 ARG 35 HH12 ARG 35 -10.977 -2.018 8.083 272 HH21 ARG 35 HH21 ARG 35 -12.028 -5.289 7.622 273 HH22 ARG 35 HH22 ARG 35 -11.106 -4.210 8.614 274 H LEU 36 H LEU 36 -12.264 -0.489 2.883 275 HA LEU 36 HA LEU 36 -13.023 -2.143 0.507 276 HB2 LEU 36 HB3 LEU 36 -10.601 -0.397 1.053 277 HB3 LEU 36 HB2 LEU 36 -10.988 -1.184 -0.479 278 HG LEU 36 HG LEU 36 -13.003 0.629 0.813 279 HD11 LEU 36 HD11 LEU 36 -10.402 1.371 -0.353 280 HD12 LEU 36 HD12 LEU 36 -11.473 2.301 0.697 281 HD13 LEU 36 HD13 LEU 36 -11.782 2.229 -1.038 282 HD21 LEU 36 HD21 LEU 36 -12.570 -0.739 -1.748 283 HD22 LEU 36 HD22 LEU 36 -12.991 0.963 -1.937 284 HD23 LEU 36 HD23 LEU 36 -14.065 -0.117 -1.049 285 H LYS 37 H LYS 37 -11.809 -4.035 0.080 286 HA LYS 37 HA LYS 37 -10.177 -5.022 2.389 287 HB2 LYS 37 HB3 LYS 37 -11.996 -6.325 0.358 288 HB3 LYS 37 HB2 LYS 37 -10.901 -7.271 1.366 289 HG2 LYS 37 HG3 LYS 37 -12.232 -5.427 3.074 290 HG3 LYS 37 HG2 LYS 37 -13.462 -6.179 2.059 291 HD2 LYS 37 HD3 LYS 37 -12.201 -8.403 2.631 292 HD3 LYS 37 HD2 LYS 37 -11.555 -7.477 3.986 293 HE2 LYS 37 HE3 LYS 37 -13.637 -7.259 5.009 294 HE3 LYS 37 HE2 LYS 37 -14.517 -7.412 3.474 295 HZ1 LYS 37 HZ1 LYS 37 -14.737 -9.482 4.580 296 HZ2 LYS 37 HZ2 LYS 37 -13.081 -9.544 4.959 297 HZ3 LYS 37 HZ3 LYS 37 -13.595 -9.724 3.350 298 H ALA 38 H ALA 38 -8.096 -5.601 1.996 299 HA ALA 38 HA ALA 38 -7.201 -6.109 -0.811 300 HB1 ALA 38 HB1 ALA 38 -5.450 -4.501 -0.593 301 HB2 ALA 38 HB2 ALA 38 -5.687 -4.371 1.149 302 HB3 ALA 38 HB3 ALA 38 -6.883 -3.695 0.044 303 H TYR 39 H TYR 39 -5.741 -7.825 -0.890 304 HA TYR 39 HA TYR 39 -4.481 -8.698 1.685 305 HB2 TYR 39 HB3 TYR 39 -5.042 -11.059 0.816 306 HB3 TYR 39 HB2 TYR 39 -6.393 -10.094 1.415 307 HD1 TYR 39 HD1 TYR 39 -7.826 -8.818 -0.243 308 HD2 TYR 39 HD2 TYR 39 -4.954 -11.775 -1.450 309 HE1 TYR 39 HE1 TYR 39 -8.938 -8.996 -2.453 310 HE2 TYR 39 HE2 TYR 39 -6.064 -11.951 -3.659 311 HH TYR 39 HH TYR 39 -8.924 -9.965 -4.443 312 H GLY 40 H GLY 40 -2.632 -10.227 1.281 313 HA2 GLY 40 HA3 GLY 40 -0.916 -9.215 -0.825 314 HA3 GLY 40 HA2 GLY 40 -0.522 -10.532 0.280 315 H GLU 41 H GLU 41 0.113 -12.162 -1.084 316 HA GLU 41 HA GLU 41 -1.857 -13.006 -3.184 317 HB2 GLU 41 HB3 GLU 41 0.150 -13.617 -4.534 318 HB3 GLU 41 HB2 GLU 41 0.108 -11.894 -4.153 319 HG2 GLU 41 HG3 GLU 41 2.036 -12.026 -2.992 320 HG3 GLU 41 HG2 GLU 41 1.445 -13.399 -2.055 321 H LEU 42 H LEU 42 -1.148 -15.392 -3.889 322 HA LEU 42 HA LEU 42 -0.966 -17.657 -3.242 323 HB2 LEU 42 HB3 LEU 42 1.146 -16.192 -2.146 324 HB3 LEU 42 HB2 LEU 42 0.520 -17.125 -0.786 325 HG LEU 42 HG LEU 42 0.562 -18.842 -3.064 326 HD11 LEU 42 HD11 LEU 42 2.527 -18.477 -4.127 327 HD12 LEU 42 HD12 LEU 42 3.379 -18.163 -2.616 328 HD13 LEU 42 HD13 LEU 42 2.477 -16.869 -3.405 329 HD21 LEU 42 HD21 LEU 42 1.263 -20.230 -1.428 330 HD22 LEU 42 HD22 LEU 42 1.226 -18.850 -0.331 331 HD23 LEU 42 HD23 LEU 42 2.720 -19.270 -1.169 332 H ILE 43 H ILE 43 -2.988 -18.326 -2.546 333 HA ILE 43 HA ILE 43 -3.621 -17.903 0.351 334 HB ILE 43 HB ILE 43 -5.986 -17.586 -0.373 335 HG12 ILE 43 HG13 ILE 43 -5.544 -16.954 -3.123 336 HG13 ILE 43 HG12 ILE 43 -4.908 -18.576 -2.840 337 HG21 ILE 43 HG21 ILE 43 -5.712 -15.334 -0.921 338 HG22 ILE 43 HG22 ILE 43 -4.333 -15.654 -1.974 339 HG23 ILE 43 HG23 ILE 43 -4.138 -15.718 -0.222 340 HD11 ILE 43 HD11 ILE 43 -7.209 -18.800 -1.473 341 HD12 ILE 43 HD12 ILE 43 -7.109 -19.139 -3.201 342 HD13 ILE 43 HD13 ILE 43 -7.709 -17.578 -2.643 343 H THR 44 H THR 44 -5.395 -19.525 1.031 344 HA THR 44 HA THR 44 -5.762 -21.949 -0.525 345 HB THR 44 HB THR 44 -3.325 -21.991 0.156 346 HG1 THR 44 HG1 THR 44 -5.227 -23.902 0.856 347 HG21 THR 44 HG21 THR 44 -2.710 -22.199 2.433 348 HG22 THR 44 HG22 THR 44 -4.370 -22.511 2.938 349 HG23 THR 44 HG23 THR 44 -3.896 -20.893 2.418 350 H ASN 45 H ASN 45 -7.229 -19.991 1.252 351 HA ASN 45 HA ASN 45 -8.031 -21.637 3.577 352 HB2 ASN 45 HB3 ASN 45 -7.761 -18.946 3.059 353 HB3 ASN 45 HB2 ASN 45 -9.506 -19.170 2.916 354 HD21 ASN 45 HD21 ASN 45 -9.512 -21.452 4.867 355 HD22 ASN 45 HD22 ASN 45 -9.298 -20.745 6.394 356 H ASP 46 H ASP 46 -10.785 -20.649 3.523 357 HA ASP 46 HA ASP 46 -11.899 -22.520 1.472 358 HB2 ASP 46 HB3 ASP 46 -13.689 -22.828 3.027 359 HB3 ASP 46 HB2 ASP 46 -12.208 -22.840 3.985 360 H LYS 47 H LYS 47 -14.544 -21.214 2.170 361 HA LYS 47 HA LYS 47 -14.897 -19.590 -0.108 362 HB2 LYS 47 HB3 LYS 47 -17.018 -19.006 0.984 363 HB3 LYS 47 HB2 LYS 47 -16.648 -20.708 1.253 364 HG2 LYS 47 HG3 LYS 47 -15.484 -19.852 3.433 365 HG3 LYS 47 HG2 LYS 47 -16.477 -18.415 3.191 366 HD2 LYS 47 HD3 LYS 47 -18.451 -20.070 2.924 367 HD3 LYS 47 HD2 LYS 47 -17.373 -21.256 3.662 368 HE2 LYS 47 HE3 LYS 47 -17.353 -18.729 5.131 369 HE3 LYS 47 HE2 LYS 47 -18.976 -19.443 5.052 370 HZ1 LYS 47 HZ1 LYS 47 -17.570 -20.334 6.887 371 HZ2 LYS 47 HZ2 LYS 47 -16.523 -20.982 5.716 372 HZ3 LYS 47 HZ3 LYS 47 -18.132 -21.520 5.814 373 H TRP 48 H TRP 48 -16.272 -17.359 1.338 374 HA TRP 48 HA TRP 48 -14.786 -15.159 0.927 375 HB2 TRP 48 HB3 TRP 48 -16.376 -15.752 3.439 376 HB3 TRP 48 HB2 TRP 48 -16.013 -14.141 2.818 377 HD1 TRP 48 HD1 TRP 48 -16.660 -14.116 -0.066 378 HE1 TRP 48 HE1 TRP 48 -18.979 -14.695 -1.031 379 HE3 TRP 48 HE3 TRP 48 -18.570 -16.847 3.803 380 HZ2 TRP 48 HZ2 TRP 48 -21.334 -16.125 -0.263 381 HZ3 TRP 48 HZ3 TRP 48 -20.851 -17.805 3.659 382 HH2 TRP 48 HH2 TRP 48 -22.234 -17.448 1.633 383 H THR 49 H THR 49 -14.339 -17.172 3.871 384 HA THR 49 HA THR 49 -12.533 -15.653 5.327 385 HB THR 49 HB THR 49 -11.783 -18.493 4.834 386 HG1 THR 49 HG1 THR 49 -13.904 -18.820 4.610 387 HG21 THR 49 HG21 THR 49 -11.123 -18.331 6.981 388 HG22 THR 49 HG22 THR 49 -12.697 -17.716 7.486 389 HG23 THR 49 HG23 THR 49 -11.474 -16.607 6.865 390 H ARG 50 H ARG 50 -10.516 -14.801 4.916 391 HA ARG 50 HA ARG 50 -8.766 -16.084 2.890 392 HB2 ARG 50 HB3 ARG 50 -8.568 -13.800 1.771 393 HB3 ARG 50 HB2 ARG 50 -10.119 -14.612 1.557 394 HG2 ARG 50 HG3 ARG 50 -11.204 -13.221 3.117 395 HG3 ARG 50 HG2 ARG 50 -9.684 -12.705 3.850 396 HD2 ARG 50 HD3 ARG 50 -10.626 -10.908 2.422 397 HD3 ARG 50 HD2 ARG 50 -9.102 -11.508 1.737 398 HE ARG 50 HE ARG 50 -10.334 -12.471 -0.043 399 HH11 ARG 50 HH11 ARG 50 -12.359 -11.584 2.612 400 HH12 ARG 50 HH12 ARG 50 -13.832 -11.914 1.767 401 HH21 ARG 50 HH21 ARG 50 -12.251 -12.905 -1.155 402 HH22 ARG 50 HH22 ARG 50 -13.772 -12.662 -0.364 403 H ASN 51 H ASN 51 -8.690 -15.497 5.856 404 HA ASN 51 HA ASN 51 -6.791 -13.345 6.292 405 HB2 ASN 51 HB3 ASN 51 -7.496 -15.792 7.949 406 HB3 ASN 51 HB2 ASN 51 -6.715 -14.328 8.550 407 HD21 ASN 51 HD21 ASN 51 -8.426 -12.576 6.786 408 HD22 ASN 51 HD22 ASN 51 -9.953 -12.555 7.526 409 H ARG 52 H ARG 52 -5.039 -13.788 4.789 410 HA ARG 52 HA ARG 52 -3.444 -16.254 5.406 411 HB2 ARG 52 HB3 ARG 52 -4.357 -14.958 3.006 412 HB3 ARG 52 HB2 ARG 52 -2.593 -14.962 3.019 413 HG2 ARG 52 HG3 ARG 52 -3.555 -17.020 1.980 414 HG3 ARG 52 HG2 ARG 52 -2.558 -17.370 3.391 415 HD2 ARG 52 HD3 ARG 52 -5.018 -17.025 4.559 416 HD3 ARG 52 HD2 ARG 52 -5.456 -17.774 3.011 417 HE ARG 52 HE ARG 52 -3.290 -19.268 3.812 418 HH11 ARG 52 HH11 ARG 52 -6.240 -18.266 5.305 419 HH12 ARG 52 HH12 ARG 52 -6.352 -19.667 6.316 420 HH21 ARG 52 HH21 ARG 52 -3.422 -21.090 5.134 421 HH22 ARG 52 HH22 ARG 52 -4.760 -21.263 6.220 422 HA PRO 53 HA PRO 53 -0.252 -13.649 6.944 423 HB2 PRO 53 HB3 PRO 53 1.927 -15.234 6.432 424 HB3 PRO 53 HB2 PRO 53 0.776 -15.556 7.745 425 HG2 PRO 53 HG3 PRO 53 1.021 -16.841 5.084 426 HG3 PRO 53 HG2 PRO 53 0.552 -17.541 6.640 427 HD2 PRO 53 HD3 PRO 53 -1.212 -16.881 4.637 428 HD3 PRO 53 HD2 PRO 53 -1.645 -17.007 6.356 429 H ILE 54 H ILE 54 1.610 -12.374 6.189 430 HA ILE 54 HA ILE 54 1.747 -12.196 3.196 431 HB ILE 54 HB ILE 54 1.952 -10.158 5.428 432 HG12 ILE 54 HG13 ILE 54 -0.321 -10.805 4.747 433 HG13 ILE 54 HG12 ILE 54 0.026 -9.159 4.213 434 HG21 ILE 54 HG21 ILE 54 2.075 -8.596 3.291 435 HG22 ILE 54 HG22 ILE 54 2.792 -10.027 2.551 436 HG23 ILE 54 HG23 ILE 54 3.545 -9.296 3.969 437 HD11 ILE 54 HD11 ILE 54 -0.662 -11.462 2.621 438 HD12 ILE 54 HD12 ILE 54 0.931 -10.869 2.147 439 HD13 ILE 54 HD13 ILE 54 -0.461 -9.786 2.108 440 H VAL 55 H VAL 55 3.787 -12.285 2.258 441 HA VAL 55 HA VAL 55 6.092 -12.778 4.089 442 HB VAL 55 HB VAL 55 5.422 -14.436 2.338 443 HG11 VAL 55 HG11 VAL 55 5.157 -12.114 0.769 444 HG12 VAL 55 HG12 VAL 55 4.969 -13.782 0.229 445 HG13 VAL 55 HG13 VAL 55 6.535 -12.982 0.092 446 HG21 VAL 55 HG21 VAL 55 7.948 -13.592 3.032 447 HG22 VAL 55 HG22 VAL 55 8.002 -13.489 1.273 448 HG23 VAL 55 HG23 VAL 55 7.604 -15.018 2.055 449 H SER 56 H SER 56 8.076 -11.611 3.764 450 HA SER 56 HA SER 56 7.850 -9.164 2.045 451 HB2 SER 56 HB3 SER 56 9.041 -7.998 3.912 452 HB3 SER 56 HB2 SER 56 7.467 -8.622 4.396 453 HG SER 56 HG SER 56 10.014 -9.384 5.159 454 H THR 57 H THR 57 9.839 -8.433 1.140 455 HA THR 57 HA THR 57 11.976 -10.516 1.100 456 HB THR 57 HB THR 57 12.583 -9.274 -1.035 457 HG1 THR 57 HG1 THR 57 11.070 -7.794 -1.771 458 HG21 THR 57 HG21 THR 57 9.696 -10.150 -1.032 459 HG22 THR 57 HG22 THR 57 11.012 -11.306 -0.821 460 HG23 THR 57 HG23 THR 57 10.902 -10.356 -2.303 461 H LYS 58 H LYS 58 14.149 -9.895 1.512 462 HA LYS 58 HA LYS 58 14.588 -7.061 2.379 463 HB2 LYS 58 HB3 LYS 58 15.685 -7.894 4.378 464 HB3 LYS 58 HB2 LYS 58 14.105 -8.670 4.266 465 HG2 LYS 58 HG3 LYS 58 15.208 -10.627 3.151 466 HG3 LYS 58 HG2 LYS 58 16.769 -9.864 3.451 467 HD2 LYS 58 HD3 LYS 58 14.851 -10.257 5.730 468 HD3 LYS 58 HD2 LYS 58 15.839 -11.610 5.179 469 HE2 LYS 58 HE3 LYS 58 17.478 -10.768 6.516 470 HE3 LYS 58 HE2 LYS 58 17.642 -9.471 5.316 471 HZ1 LYS 58 HZ1 LYS 58 16.286 -9.448 7.887 472 HZ2 LYS 58 HZ2 LYS 58 15.454 -8.686 6.619 473 HZ3 LYS 58 HZ3 LYS 58 17.018 -8.175 7.038 474 H LYS 59 H LYS 59 16.369 -6.228 1.381 475 HA LYS 59 HA LYS 59 18.578 -8.087 0.587 476 HB2 LYS 59 HB3 LYS 59 16.852 -6.274 -1.040 477 HB3 LYS 59 HB2 LYS 59 18.560 -6.359 -1.475 478 HG2 LYS 59 HG3 LYS 59 17.505 -8.069 -2.754 479 HG3 LYS 59 HG2 LYS 59 18.293 -8.907 -1.417 480 HD2 LYS 59 HD3 LYS 59 16.320 -9.692 -0.676 481 HD3 LYS 59 HD2 LYS 59 15.643 -8.064 -0.630 482 HE2 LYS 59 HE3 LYS 59 14.261 -9.126 -2.215 483 HE3 LYS 59 HE2 LYS 59 15.490 -8.377 -3.255 484 HZ1 LYS 59 HZ1 LYS 59 15.891 -11.066 -2.095 485 HZ2 LYS 59 HZ2 LYS 59 16.671 -10.360 -3.429 486 HZ3 LYS 59 HZ3 LYS 59 15.054 -10.866 -3.556 487 H LEU 60 H LEU 60 20.484 -7.308 1.401 488 HA LEU 60 HA LEU 60 20.642 -4.396 2.088 489 HB2 LEU 60 HB3 LEU 60 22.364 -5.211 3.713 490 HB3 LEU 60 HB2 LEU 60 20.785 -5.955 3.965 491 HG LEU 60 HG LEU 60 22.289 -7.489 2.039 492 HD11 LEU 60 HD11 LEU 60 24.246 -6.501 3.221 493 HD12 LEU 60 HD12 LEU 60 24.115 -8.240 3.486 494 HD13 LEU 60 HD13 LEU 60 23.607 -7.115 4.746 495 HD21 LEU 60 HD21 LEU 60 21.546 -8.244 4.873 496 HD22 LEU 60 HD22 LEU 60 21.654 -9.296 3.462 497 HD23 LEU 60 HD23 LEU 60 20.341 -8.126 3.590 498 H ASP 61 H ASP 61 22.270 -3.181 1.148 499 HA ASP 61 HA ASP 61 23.939 -4.495 -0.921 500 HB2 ASP 61 HB3 ASP 61 23.222 -1.665 -0.139 501 HB3 ASP 61 HB2 ASP 61 24.459 -2.000 -1.350 502 H LYS 62 H LYS 62 26.154 -2.827 -0.939 503 HA LYS 62 HA LYS 62 27.809 -3.945 1.144 504 HB2 LYS 62 HB3 LYS 62 29.501 -2.427 0.104 505 HB3 LYS 62 HB2 LYS 62 28.614 -3.365 -1.096 506 HG2 LYS 62 HG3 LYS 62 27.176 -0.935 -0.541 507 HG3 LYS 62 HG2 LYS 62 28.847 -0.544 -0.945 508 HD2 LYS 62 HD3 LYS 62 27.151 -2.431 -2.595 509 HD3 LYS 62 HD2 LYS 62 27.281 -0.706 -2.936 510 HE2 LYS 62 HE3 LYS 62 29.647 -0.877 -3.350 511 HE3 LYS 62 HE2 LYS 62 29.692 -2.540 -2.732 512 HZ1 LYS 62 HZ1 LYS 62 29.536 -2.625 -5.110 513 HZ2 LYS 62 HZ2 LYS 62 28.209 -1.564 -5.116 514 HZ3 LYS 62 HZ3 LYS 62 28.048 -3.126 -4.466 515 H GLU 63 H GLU 63 25.662 -1.304 1.149 516 HA GLU 63 HA GLU 63 27.178 0.321 3.090 517 HB2 GLU 63 HB3 GLU 63 24.449 0.470 1.784 518 HB3 GLU 63 HB2 GLU 63 25.015 1.668 2.950 519 HG2 GLU 63 HG3 GLU 63 25.823 2.710 1.084 520 HG3 GLU 63 HG2 GLU 63 27.157 1.573 1.281 521 H GLY 64 H GLY 64 25.036 -2.342 3.178 522 HA2 GLY 64 HA3 GLY 64 24.375 -3.539 5.132 523 HA3 GLY 64 HA2 GLY 64 24.887 -2.166 6.113 524 H ARG 65 H ARG 65 22.921 -1.327 3.437 525 HA ARG 65 HA ARG 65 20.680 -0.711 5.296 526 HB2 ARG 65 HB3 ARG 65 21.768 0.990 3.776 527 HB3 ARG 65 HB2 ARG 65 21.133 0.081 2.404 528 HG2 ARG 65 HG3 ARG 65 18.841 0.307 3.650 529 HG3 ARG 65 HG2 ARG 65 19.634 1.639 4.492 530 HD2 ARG 65 HD3 ARG 65 19.966 1.606 1.536 531 HD3 ARG 65 HD2 ARG 65 18.342 1.989 2.141 532 HE ARG 65 HE ARG 65 20.079 3.459 3.760 533 HH11 ARG 65 HH11 ARG 65 19.398 3.150 0.388 534 HH12 ARG 65 HH12 ARG 65 19.803 4.793 0.025 535 HH21 ARG 65 HH21 ARG 65 20.600 5.607 3.297 536 HH22 ARG 65 HH22 ARG 65 20.482 6.182 1.668 537 H THR 66 H THR 66 18.958 -2.100 5.334 538 HA THR 66 HA THR 66 18.628 -4.067 3.136 539 HB THR 66 HB THR 66 17.362 -3.689 5.868 540 HG1 THR 66 HG1 THR 66 18.642 -5.918 5.752 541 HG21 THR 66 HG21 THR 66 16.843 -5.637 3.648 542 HG22 THR 66 HG22 THR 66 15.700 -4.865 4.746 543 HG23 THR 66 HG23 THR 66 16.715 -6.188 5.318 544 H HIS 67 H HIS 67 16.964 -3.940 1.666 545 HA HIS 67 HA HIS 67 15.012 -1.689 1.980 546 HB2 HIS 67 HB3 HIS 67 16.073 -3.216 -0.420 547 HB3 HIS 67 HB2 HIS 67 14.855 -1.945 -0.517 548 HD1 HIS 67 HD1 HIS 67 18.237 -2.230 -1.173 549 HD2 HIS 67 HD2 HIS 67 16.109 0.415 1.245 550 HE1 HIS 67 HE1 HIS 67 19.718 -0.200 -0.856 551 H HIS 68 H HIS 68 12.769 -2.142 1.623 552 HA HIS 68 HA HIS 68 12.076 -5.063 1.606 553 HB2 HIS 68 HB3 HIS 68 11.562 -2.944 3.463 554 HB3 HIS 68 HB2 HIS 68 10.021 -3.451 2.768 555 HD1 HIS 68 HD1 HIS 68 12.944 -5.786 3.257 556 HD2 HIS 68 HD2 HIS 68 9.209 -5.046 4.954 557 HE1 HIS 68 HE1 HIS 68 12.490 -7.701 4.849 558 H TYR 69 H TYR 69 10.540 -5.708 0.129 559 HA TYR 69 HA TYR 69 9.134 -3.579 -1.454 560 HB2 TYR 69 HB3 TYR 69 10.240 -6.234 -2.427 561 HB3 TYR 69 HB2 TYR 69 9.550 -4.954 -3.425 562 HD1 TYR 69 HD1 TYR 69 10.790 -2.934 -3.929 563 HD2 TYR 69 HD2 TYR 69 12.435 -5.940 -1.339 564 HE1 TYR 69 HE1 TYR 69 13.016 -1.855 -4.090 565 HE2 TYR 69 HE2 TYR 69 14.662 -4.860 -1.500 566 HH TYR 69 HH TYR 69 15.587 -2.884 -3.762 567 H MET 70 H MET 70 6.926 -3.840 -1.331 568 HA MET 70 HA MET 70 5.833 -6.602 -0.998 569 HB2 MET 70 HB3 MET 70 6.148 -4.743 1.042 570 HB3 MET 70 HB2 MET 70 4.462 -4.545 0.565 571 HG2 MET 70 HG3 MET 70 4.088 -6.961 0.822 572 HG3 MET 70 HG2 MET 70 5.781 -7.187 1.259 573 HE1 MET 70 HE1 MET 70 6.252 -5.944 4.699 574 HE2 MET 70 HE2 MET 70 6.737 -5.154 3.200 575 HE3 MET 70 HE3 MET 70 6.795 -6.911 3.321 576 H ARG 71 H ARG 71 3.744 -6.862 -1.901 577 HA ARG 71 HA ARG 71 2.390 -4.482 -3.063 578 HB2 ARG 71 HB3 ARG 71 3.000 -6.923 -4.739 579 HB3 ARG 71 HB2 ARG 71 2.521 -5.315 -5.284 580 HG2 ARG 71 HG3 ARG 71 4.669 -4.393 -4.575 581 HG3 ARG 71 HG2 ARG 71 5.147 -5.956 -3.911 582 HD2 ARG 71 HD3 ARG 71 5.328 -6.949 -6.053 583 HD3 ARG 71 HD2 ARG 71 4.387 -5.653 -6.823 584 HE ARG 71 HE ARG 71 6.543 -4.339 -5.653 585 HH11 ARG 71 HH11 ARG 71 6.089 -6.945 -7.876 586 HH12 ARG 71 HH12 ARG 71 7.559 -6.637 -8.736 587 HH21 ARG 71 HH21 ARG 71 8.462 -3.929 -6.770 588 HH22 ARG 71 HH22 ARG 71 8.901 -4.933 -8.111 589 H PHE 72 H PHE 72 0.140 -4.815 -3.254 590 HA PHE 72 HA PHE 72 -0.935 -7.557 -2.853 591 HB2 PHE 72 HB3 PHE 72 -2.173 -5.483 -1.138 592 HB3 PHE 72 HB2 PHE 72 -1.803 -7.162 -0.768 593 HD1 PHE 72 HD1 PHE 72 -0.459 -3.724 -0.905 594 HD2 PHE 72 HD2 PHE 72 0.327 -7.798 0.206 595 HE1 PHE 72 HE1 PHE 72 1.536 -2.990 0.372 596 HE2 PHE 72 HE2 PHE 72 2.323 -7.064 1.483 597 HZ PHE 72 HZ PHE 72 2.924 -4.660 1.568 598 H HIS 73 H HIS 73 -3.235 -7.671 -3.400 599 HA HIS 73 HA HIS 73 -4.043 -5.525 -5.304 600 HB2 HIS 73 HB3 HIS 73 -4.929 -8.377 -4.771 601 HB3 HIS 73 HB2 HIS 73 -5.707 -7.332 -5.960 602 HD1 HIS 73 HD1 HIS 73 -2.037 -8.073 -5.159 603 HD2 HIS 73 HD2 HIS 73 -4.630 -7.941 -8.421 604 HE1 HIS 73 HE1 HIS 73 -0.644 -8.608 -7.206 605 H VAL 74 H VAL 74 -6.129 -4.523 -5.102 606 HA VAL 74 HA VAL 74 -7.460 -4.938 -2.445 607 HB VAL 74 HB VAL 74 -7.212 -2.364 -4.029 608 HG11 VAL 74 HG11 VAL 74 -8.883 -3.033 -1.943 609 HG12 VAL 74 HG12 VAL 74 -8.369 -1.392 -2.336 610 HG13 VAL 74 HG13 VAL 74 -7.510 -2.313 -1.102 611 HG21 VAL 74 HG21 VAL 74 -5.054 -2.293 -3.374 612 HG22 VAL 74 HG22 VAL 74 -5.234 -3.795 -2.465 613 HG23 VAL 74 HG23 VAL 74 -5.619 -2.251 -1.704 614 H GLU 75 H GLU 75 -9.692 -5.164 -2.510 615 HA GLU 75 HA GLU 75 -11.010 -4.863 -5.192 616 HB2 GLU 75 HB3 GLU 75 -10.800 -7.025 -3.253 617 HB3 GLU 75 HB2 GLU 75 -12.488 -6.637 -3.595 618 HG2 GLU 75 HG3 GLU 75 -12.242 -7.060 -5.905 619 HG3 GLU 75 HG2 GLU 75 -10.482 -6.959 -5.824 620 H SER 76 H SER 76 -12.456 -3.189 -5.164 621 HA SER 76 HA SER 76 -13.742 -2.462 -2.555 622 HB2 SER 76 HB3 SER 76 -13.827 -0.236 -3.442 623 HB3 SER 76 HB2 SER 76 -12.225 -0.853 -3.840 624 HG SER 76 HG SER 76 -13.216 0.108 -5.650 625 H LYS 77 H LYS 77 -15.998 -1.425 -2.956 626 HA LYS 77 HA LYS 77 -17.679 -3.371 -4.318 627 HB2 LYS 77 HB3 LYS 77 -17.937 -0.928 -2.634 628 HB3 LYS 77 HB2 LYS 77 -19.329 -1.343 -3.636 629 HG2 LYS 77 HG3 LYS 77 -18.675 -3.791 -2.612 630 HG3 LYS 77 HG2 LYS 77 -18.232 -2.732 -1.273 631 HD2 LYS 77 HD3 LYS 77 -20.502 -3.167 -0.856 632 HD3 LYS 77 HD2 LYS 77 -20.550 -1.618 -1.698 633 HE2 LYS 77 HE3 LYS 77 -22.216 -3.309 -2.581 634 HE3 LYS 77 HE2 LYS 77 -21.075 -2.732 -3.813 635 HZ1 LYS 77 HZ1 LYS 77 -19.948 -4.680 -3.827 636 HZ2 LYS 77 HZ2 LYS 77 -21.439 -5.309 -3.307 637 HZ3 LYS 77 HZ3 LYS 77 -20.211 -4.985 -2.179 638 H LYS 78 H LYS 78 -16.076 -0.490 -5.292 639 HA LYS 78 HA LYS 78 -17.973 -0.036 -7.554 640 HB2 LYS 78 HB3 LYS 78 -15.567 1.592 -6.696 641 HB3 LYS 78 HB2 LYS 78 -16.933 2.128 -7.673 642 HG2 LYS 78 HG3 LYS 78 -17.991 1.088 -5.244 643 HG3 LYS 78 HG2 LYS 78 -16.666 2.170 -4.818 644 HD2 LYS 78 HD3 LYS 78 -17.901 3.977 -5.339 645 HD3 LYS 78 HD2 LYS 78 -18.243 3.330 -6.944 646 HE2 LYS 78 HE3 LYS 78 -20.392 3.059 -6.260 647 HE3 LYS 78 HE2 LYS 78 -19.804 1.779 -5.178 648 HZ1 LYS 78 HZ1 LYS 78 -20.960 3.667 -4.033 649 HZ2 LYS 78 HZ2 LYS 78 -19.671 4.668 -4.508 650 HZ3 LYS 78 HZ3 LYS 78 -19.391 3.350 -3.472 651 H LYS 79 H LYS 79 -14.695 -1.085 -6.812 652 HA LYS 79 HA LYS 79 -14.350 -2.291 -9.422 653 HB2 LYS 79 HB3 LYS 79 -13.836 0.497 -9.153 654 HB3 LYS 79 HB2 LYS 79 -12.273 -0.303 -9.325 655 HG2 LYS 79 HG3 LYS 79 -12.899 -1.307 -11.393 656 HG3 LYS 79 HG2 LYS 79 -14.603 -0.920 -11.149 657 HD2 LYS 79 HD3 LYS 79 -12.504 1.243 -11.336 658 HD3 LYS 79 HD2 LYS 79 -13.284 0.584 -12.775 659 HE2 LYS 79 HE3 LYS 79 -15.390 1.100 -10.969 660 HE3 LYS 79 HE2 LYS 79 -14.329 2.521 -10.891 661 HZ1 LYS 79 HZ1 LYS 79 -15.655 1.331 -13.241 662 HZ2 LYS 79 HZ2 LYS 79 -14.225 2.228 -13.434 663 HZ3 LYS 79 HZ3 LYS 79 -15.603 2.956 -12.757 664 H ILE 80 H ILE 80 -11.521 -2.173 -9.541 665 HA ILE 80 HA ILE 80 -10.672 -3.273 -6.885 666 HB ILE 80 HB ILE 80 -10.218 -4.397 -9.667 667 HG12 ILE 80 HG13 ILE 80 -11.444 -6.101 -7.630 668 HG13 ILE 80 HG12 ILE 80 -12.402 -4.657 -7.958 669 HG21 ILE 80 HG21 ILE 80 -9.478 -5.817 -7.133 670 HG22 ILE 80 HG22 ILE 80 -8.383 -4.587 -7.766 671 HG23 ILE 80 HG23 ILE 80 -8.798 -5.991 -8.750 672 HD11 ILE 80 HD11 ILE 80 -13.157 -6.242 -9.551 673 HD12 ILE 80 HD12 ILE 80 -11.516 -6.789 -9.899 674 HD13 ILE 80 HD13 ILE 80 -12.050 -5.201 -10.447 675 H ALA 81 H ALA 81 -8.547 -2.736 -6.317 676 HA ALA 81 HA ALA 81 -6.906 -1.273 -8.349 677 HB1 ALA 81 HB1 ALA 81 -8.339 -0.195 -6.155 678 HB2 ALA 81 HB2 ALA 81 -7.182 0.643 -7.188 679 HB3 ALA 81 HB3 ALA 81 -6.634 -0.145 -5.709 680 H LEU 82 H LEU 82 -4.612 -1.324 -7.900 681 HA LEU 82 HA LEU 82 -3.801 -3.473 -5.967 682 HB2 LEU 82 HB3 LEU 82 -3.483 -3.994 -8.358 683 HB3 LEU 82 HB2 LEU 82 -2.554 -2.510 -8.565 684 HG LEU 82 HG LEU 82 -1.657 -4.349 -6.405 685 HD11 LEU 82 HD11 LEU 82 -1.848 -5.110 -9.258 686 HD12 LEU 82 HD12 LEU 82 -1.687 -6.130 -7.829 687 HD13 LEU 82 HD13 LEU 82 -0.264 -5.355 -8.523 688 HD21 LEU 82 HD21 LEU 82 -0.009 -3.055 -8.569 689 HD22 LEU 82 HD22 LEU 82 0.448 -3.430 -6.908 690 HD23 LEU 82 HD23 LEU 82 -0.647 -2.088 -7.240 691 H VAL 83 H VAL 83 -2.224 -2.912 -4.446 692 HA VAL 83 HA VAL 83 -1.327 -0.063 -4.472 693 HB VAL 83 HB VAL 83 -1.264 -2.101 -2.233 694 HG11 VAL 83 HG11 VAL 83 -0.227 -0.411 -1.160 695 HG12 VAL 83 HG12 VAL 83 -1.715 0.524 -1.314 696 HG13 VAL 83 HG13 VAL 83 -0.453 0.667 -2.540 697 HG21 VAL 83 HG21 VAL 83 -3.376 -0.161 -2.002 698 HG22 VAL 83 HG22 VAL 83 -3.502 -1.920 -2.051 699 HG23 VAL 83 HG23 VAL 83 -3.523 -0.991 -3.551 700 H HIS 84 H HIS 84 0.825 0.444 -4.541 701 HA HIS 84 HA HIS 84 2.830 -1.782 -4.374 702 HB2 HIS 84 HB3 HIS 84 1.997 -0.413 -6.649 703 HB3 HIS 84 HB2 HIS 84 3.474 0.430 -6.184 704 HD1 HIS 84 HD1 HIS 84 5.687 -0.802 -6.477 705 HD2 HIS 84 HD2 HIS 84 2.380 -3.232 -7.214 706 HE1 HIS 84 HE1 HIS 84 6.584 -2.947 -7.481 707 H LEU 85 H LEU 85 4.158 -1.286 -2.642 708 HA LEU 85 HA LEU 85 4.893 1.594 -2.252 709 HB2 LEU 85 HB3 LEU 85 4.493 1.356 0.086 710 HB3 LEU 85 HB2 LEU 85 3.112 0.592 -0.699 711 HG LEU 85 HG LEU 85 4.587 -1.578 -0.556 712 HD11 LEU 85 HD11 LEU 85 6.183 0.363 0.849 713 HD12 LEU 85 HD12 LEU 85 6.549 -1.330 0.518 714 HD13 LEU 85 HD13 LEU 85 5.665 -0.888 1.978 715 HD21 LEU 85 HD21 LEU 85 3.335 -2.196 1.305 716 HD22 LEU 85 HD22 LEU 85 2.437 -0.775 0.771 717 HD23 LEU 85 HD23 LEU 85 3.575 -0.646 2.111 718 H GLU 86 H GLU 86 6.997 1.931 -1.335 719 HA GLU 86 HA GLU 86 8.777 -0.480 -1.237 720 HB2 GLU 86 HB3 GLU 86 8.691 1.321 -3.288 721 HB3 GLU 86 HB2 GLU 86 9.889 2.081 -2.240 722 HG2 GLU 86 HG3 GLU 86 10.733 -0.500 -2.145 723 HG3 GLU 86 HG2 GLU 86 10.056 -0.449 -3.773 724 H ALA 87 H ALA 87 9.630 -0.552 0.817 725 HA ALA 87 HA ALA 87 10.117 2.056 2.223 726 HB1 ALA 87 HB1 ALA 87 9.464 -0.695 3.326 727 HB2 ALA 87 HB2 ALA 87 8.305 0.620 3.131 728 HB3 ALA 87 HB3 ALA 87 9.638 0.782 4.274 729 H LYS 88 H LYS 88 12.091 2.251 3.377 730 HA LYS 88 HA LYS 88 14.073 0.031 3.031 731 HB2 LYS 88 HB3 LYS 88 15.711 1.928 2.533 732 HB3 LYS 88 HB2 LYS 88 14.497 1.633 1.287 733 HG2 LYS 88 HG3 LYS 88 13.157 3.484 2.043 734 HG3 LYS 88 HG2 LYS 88 14.155 3.689 3.483 735 HD2 LYS 88 HD3 LYS 88 15.111 4.055 0.628 736 HD3 LYS 88 HD2 LYS 88 14.724 5.361 1.746 737 HE2 LYS 88 HE3 LYS 88 16.504 3.636 3.132 738 HE3 LYS 88 HE2 LYS 88 17.193 3.897 1.517 739 HZ1 LYS 88 HZ1 LYS 88 17.290 6.141 1.807 740 HZ2 LYS 88 HZ2 LYS 88 17.499 5.668 3.426 741 HZ3 LYS 88 HZ3 LYS 88 15.976 6.185 2.879 742 H GLU 89 H GLU 89 15.471 -0.217 4.807 743 HA GLU 89 HA GLU 89 14.840 1.453 7.200 744 HB2 GLU 89 HB3 GLU 89 15.767 -0.463 8.421 745 HB3 GLU 89 HB2 GLU 89 14.573 -1.029 7.254 746 HG2 GLU 89 HG3 GLU 89 16.136 -2.366 6.351 747 HG3 GLU 89 HG2 GLU 89 17.054 -0.933 5.887 748 H SER 90 H SER 90 16.460 2.674 8.187 749 HA SER 90 HA SER 90 19.208 2.508 6.986 750 HB2 SER 90 HB3 SER 90 19.209 5.017 7.356 751 HB3 SER 90 HB2 SER 90 18.055 4.458 6.147 752 HG SER 90 HG SER 90 16.472 5.065 7.399 753 H LYS 91 H LYS 91 20.934 2.764 8.461 754 HA LYS 91 HA LYS 91 22.018 2.721 10.558 755 HB2 LYS 91 HB3 LYS 91 20.014 4.733 10.540 756 HB3 LYS 91 HB2 LYS 91 19.932 3.949 12.119 757 HG2 LYS 91 HG3 LYS 91 22.401 5.138 10.823 758 HG3 LYS 91 HG2 LYS 91 21.548 5.766 12.234 759 HD2 LYS 91 HD3 LYS 91 22.240 2.967 12.594 760 HD3 LYS 91 HD2 LYS 91 23.672 3.936 12.250 761 HE2 LYS 91 HE3 LYS 91 21.611 4.578 14.392 762 HE3 LYS 91 HE2 LYS 91 23.220 3.890 14.685 763 HZ1 LYS 91 HZ1 LYS 91 23.833 5.923 13.087 764 HZ2 LYS 91 HZ2 LYS 91 23.815 6.051 14.781 765 HZ3 LYS 91 HZ3 LYS 91 22.483 6.584 13.872 766 H GLN 92 H GLN 92 22.178 0.967 11.880 767 HA GLN 92 HA GLN 92 21.517 -1.087 12.877 768 HB2 GLN 92 HB3 GLN 92 20.202 -0.595 14.846 769 HB3 GLN 92 HB2 GLN 92 21.205 0.817 14.516 770 HG2 GLN 92 HG3 GLN 92 19.389 2.054 13.653 771 HG3 GLN 92 HG2 GLN 92 18.405 0.611 13.413 772 HE21 GLN 92 HE21 GLN 92 20.139 2.135 16.203 773 HE22 GLN 92 HE22 GLN 92 18.847 1.949 17.288 774 H ASN 93 H ASN 93 18.929 -1.829 13.821 775 HA ASN 93 HA ASN 93 17.609 -2.434 11.214 776 HB2 ASN 93 HB3 ASN 93 16.481 -4.186 12.681 777 HB3 ASN 93 HB2 ASN 93 18.229 -4.352 12.522 778 HD21 ASN 93 HD21 ASN 93 19.535 -3.989 14.408 779 HD22 ASN 93 HD22 ASN 93 18.868 -3.720 15.946 780 H TYR 94 H TYR 94 17.124 0.171 12.117 781 HA TYR 94 HA TYR 94 14.845 0.475 13.822 782 HB2 TYR 94 HB3 TYR 94 16.634 2.085 12.501 783 HB3 TYR 94 HB2 TYR 94 15.162 2.361 11.570 784 HD1 TYR 94 HD1 TYR 94 16.793 2.750 14.835 785 HD2 TYR 94 HD2 TYR 94 13.147 3.294 12.631 786 HE1 TYR 94 HE1 TYR 94 15.921 4.210 16.640 787 HE2 TYR 94 HE2 TYR 94 12.274 4.755 14.436 788 HH TYR 94 HH TYR 94 13.554 4.881 17.474 789 H GLN 95 H GLN 95 12.713 1.450 12.817 790 HA GLN 95 HA GLN 95 11.491 -0.605 11.182 791 HB2 GLN 95 HB3 GLN 95 10.443 2.166 11.798 792 HB3 GLN 95 HB2 GLN 95 9.513 0.687 11.558 793 HG2 GLN 95 HG3 GLN 95 9.610 0.291 13.769 794 HG3 GLN 95 HG2 GLN 95 11.365 0.169 13.648 795 HE21 GLN 95 HE21 GLN 95 12.071 1.402 15.431 796 HE22 GLN 95 HE22 GLN 95 11.625 3.016 15.707 797 HA PRO 96 HA PRO 96 12.738 1.023 7.253 798 HB2 PRO 96 HB3 PRO 96 10.397 -0.425 6.184 799 HB3 PRO 96 HB2 PRO 96 12.117 -0.656 5.825 800 HG2 PRO 96 HG3 PRO 96 10.663 -2.403 7.287 801 HG3 PRO 96 HG2 PRO 96 12.403 -2.164 7.498 802 HD2 PRO 96 HD3 PRO 96 10.157 -1.260 9.207 803 HD3 PRO 96 HD2 PRO 96 11.827 -1.678 9.649 804 H ASP 97 H ASP 97 12.017 2.758 5.956 805 HA ASP 97 HA ASP 97 9.343 3.893 6.698 806 HB2 ASP 97 HB3 ASP 97 10.352 6.032 6.392 807 HB3 ASP 97 HB2 ASP 97 11.567 5.074 7.237 808 H PHE 98 H PHE 98 7.925 4.441 5.024 809 HA PHE 98 HA PHE 98 8.293 3.165 2.449 810 HB2 PHE 98 HB3 PHE 98 6.295 5.255 3.373 811 HB3 PHE 98 HB2 PHE 98 6.094 4.152 2.012 812 HD1 PHE 98 HD1 PHE 98 6.542 1.573 2.665 813 HD2 PHE 98 HD2 PHE 98 5.281 4.656 5.378 814 HE1 PHE 98 HE1 PHE 98 5.619 -0.148 4.192 815 HE2 PHE 98 HE2 PHE 98 4.361 2.933 6.907 816 HZ PHE 98 HZ PHE 98 4.529 0.531 6.313 817 H ILE 99 H ILE 99 9.178 4.034 0.613 818 HA ILE 99 HA ILE 99 9.783 6.974 0.607 819 HB ILE 99 HB ILE 99 11.532 6.086 -1.152 820 HG12 ILE 99 HG13 ILE 99 10.992 3.583 0.478 821 HG13 ILE 99 HG12 ILE 99 10.551 3.787 -1.217 822 HG21 ILE 99 HG21 ILE 99 11.540 6.430 1.697 823 HG22 ILE 99 HG22 ILE 99 12.859 6.691 0.555 824 HG23 ILE 99 HG23 ILE 99 12.622 5.102 1.280 825 HD11 ILE 99 HD11 ILE 99 13.362 3.927 -0.086 826 HD12 ILE 99 HD12 ILE 99 12.933 4.172 -1.778 827 HD13 ILE 99 HD13 ILE 99 12.694 2.594 -1.027 828 H ASN 100 H ASN 100 8.160 4.370 -0.986 829 HA ASN 100 HA ASN 100 7.127 6.266 -3.032 830 HB2 ASN 100 HB3 ASN 100 8.224 3.531 -3.740 831 HB3 ASN 100 HB2 ASN 100 7.772 4.829 -4.845 832 HD21 ASN 100 HD21 ASN 100 10.462 3.377 -3.576 833 HD22 ASN 100 HD22 ASN 100 11.538 4.689 -3.609 834 H MET 101 H MET 101 4.932 5.959 -3.209 835 HA MET 101 HA MET 101 3.792 3.252 -2.725 836 HB2 MET 101 HB3 MET 101 3.941 4.495 -0.562 837 HB3 MET 101 HB2 MET 101 2.951 5.776 -1.262 838 HG2 MET 101 HG3 MET 101 1.135 4.625 -0.586 839 HG3 MET 101 HG2 MET 101 1.545 3.406 -1.795 840 HE1 MET 101 HE1 MET 101 1.128 0.818 -0.427 841 HE2 MET 101 HE2 MET 101 0.066 2.223 -0.378 842 HE3 MET 101 HE3 MET 101 0.453 1.369 1.113 843 H TYR 102 H TYR 102 2.507 2.934 -4.509 844 HA TYR 102 HA TYR 102 0.654 5.119 -5.322 845 HB2 TYR 102 HB3 TYR 102 1.408 5.044 -7.599 846 HB3 TYR 102 HB2 TYR 102 2.861 5.163 -6.609 847 HD1 TYR 102 HD1 TYR 102 0.629 2.663 -8.278 848 HD2 TYR 102 HD2 TYR 102 4.562 3.557 -6.799 849 HE1 TYR 102 HE1 TYR 102 1.482 0.557 -9.273 850 HE2 TYR 102 HE2 TYR 102 5.414 1.450 -7.791 851 HH TYR 102 HH TYR 102 4.935 -0.241 -9.207 852 H VAL 103 H VAL 103 -1.205 4.312 -6.480 853 HA VAL 103 HA VAL 103 -1.524 1.329 -6.369 854 HB VAL 103 HB VAL 103 -3.446 3.598 -5.763 855 HG11 VAL 103 HG11 VAL 103 -4.042 0.644 -5.552 856 HG12 VAL 103 HG12 VAL 103 -4.406 1.560 -7.014 857 HG13 VAL 103 HG13 VAL 103 -5.176 1.994 -5.488 858 HG21 VAL 103 HG21 VAL 103 -3.442 1.889 -3.627 859 HG22 VAL 103 HG22 VAL 103 -2.417 3.318 -3.744 860 HG23 VAL 103 HG23 VAL 103 -1.776 1.734 -4.183 861 H ASP 104 H ASP 104 -2.693 0.391 -8.123 862 HA ASP 104 HA ASP 104 -3.042 2.195 -10.492 863 HB2 ASP 104 HB3 ASP 104 -1.483 -0.034 -10.139 864 HB3 ASP 104 HB2 ASP 104 -2.937 -0.737 -10.846 865 H VAL 105 H VAL 105 -5.138 2.511 -11.124 866 HA VAL 105 HA VAL 105 -7.175 0.441 -10.365 867 HB VAL 105 HB VAL 105 -7.635 3.415 -10.686 868 HG11 VAL 105 HG11 VAL 105 -9.130 1.480 -8.926 869 HG12 VAL 105 HG12 VAL 105 -9.508 1.603 -10.644 870 HG13 VAL 105 HG13 VAL 105 -9.683 3.013 -9.598 871 HG21 VAL 105 HG21 VAL 105 -6.423 1.878 -8.440 872 HG22 VAL 105 HG22 VAL 105 -7.632 3.088 -8.010 873 HG23 VAL 105 HG23 VAL 105 -6.189 3.563 -8.903 874 HA PRO 106 HA PRO 106 -7.712 0.255 -14.773 875 HB2 PRO 106 HB3 PRO 106 -10.077 -1.183 -14.702 876 HB3 PRO 106 HB2 PRO 106 -8.462 -1.908 -14.571 877 HG2 PRO 106 HG3 PRO 106 -10.438 -1.291 -12.444 878 HG3 PRO 106 HG2 PRO 106 -9.296 -2.637 -12.573 879 HD2 PRO 106 HD3 PRO 106 -8.905 -0.500 -10.937 880 HD3 PRO 106 HD2 PRO 106 -7.576 -1.439 -11.651 881 H GLY 107 H GLY 107 -8.613 1.861 -16.011 882 HA2 GLY 107 HA3 GLY 107 -10.400 3.210 -16.861 883 HA3 GLY 107 HA2 GLY 107 -11.369 2.767 -15.454 884 H GLU 108 H GLU 108 -8.849 3.412 -13.788 885 HA GLU 108 HA GLU 108 -9.294 6.379 -13.731 886 HB2 GLU 108 HB3 GLU 108 -9.397 4.241 -11.769 887 HB3 GLU 108 HB2 GLU 108 -8.230 5.473 -11.284 888 HG2 GLU 108 HG3 GLU 108 -10.213 6.336 -10.406 889 HG3 GLU 108 HG2 GLU 108 -10.132 7.149 -11.969 890 H LYS 109 H LYS 109 -7.332 7.552 -12.749 891 HA LYS 109 HA LYS 109 -4.881 6.586 -14.113 892 HB2 LYS 109 HB3 LYS 109 -6.124 9.106 -13.320 893 HB3 LYS 109 HB2 LYS 109 -4.417 9.053 -12.880 894 HG2 LYS 109 HG3 LYS 109 -3.862 8.368 -15.205 895 HG3 LYS 109 HG2 LYS 109 -5.567 8.510 -15.634 896 HD2 LYS 109 HD3 LYS 109 -5.085 10.664 -16.148 897 HD3 LYS 109 HD2 LYS 109 -5.051 10.933 -14.405 898 HE2 LYS 109 HE3 LYS 109 -2.963 11.784 -15.277 899 HE3 LYS 109 HE2 LYS 109 -2.579 10.240 -14.489 900 HZ1 LYS 109 HZ1 LYS 109 -1.740 10.553 -16.854 901 HZ2 LYS 109 HZ2 LYS 109 -3.360 10.389 -17.339 902 HZ3 LYS 109 HZ3 LYS 109 -2.580 9.119 -16.524 903 H ARG 110 H ARG 110 -2.976 6.081 -12.981 904 HA ARG 110 HA ARG 110 -3.126 5.028 -10.353 905 HB2 ARG 110 HB3 ARG 110 -0.795 4.702 -10.635 906 HB3 ARG 110 HB2 ARG 110 -1.411 4.740 -12.286 907 HG2 ARG 110 HG3 ARG 110 -0.934 7.304 -12.150 908 HG3 ARG 110 HG2 ARG 110 0.100 6.872 -10.789 909 HD2 ARG 110 HD3 ARG 110 1.722 6.346 -12.275 910 HD3 ARG 110 HD2 ARG 110 0.696 5.022 -12.863 911 HE ARG 110 HE ARG 110 -0.443 7.129 -14.125 912 HH11 ARG 110 HH11 ARG 110 2.867 6.222 -13.682 913 HH12 ARG 110 HH12 ARG 110 3.396 6.966 -15.151 914 HH21 ARG 110 HH21 ARG 110 0.245 8.100 -16.036 915 HH22 ARG 110 HH22 ARG 110 1.917 8.026 -16.482 916 H TYR 111 H TYR 111 -2.969 5.994 -8.345 917 HA TYR 111 HA TYR 111 -2.226 8.901 -8.278 918 HB2 TYR 111 HB3 TYR 111 -4.504 7.366 -7.326 919 HB3 TYR 111 HB2 TYR 111 -3.738 8.247 -6.004 920 HD1 TYR 111 HD1 TYR 111 -4.417 10.441 -5.644 921 HD2 TYR 111 HD2 TYR 111 -4.670 8.797 -9.603 922 HE1 TYR 111 HE1 TYR 111 -5.422 12.557 -6.458 923 HE2 TYR 111 HE2 TYR 111 -5.676 10.912 -10.419 924 HH TYR 111 HH TYR 111 -6.196 13.669 -8.211 925 H TYR 112 H TYR 112 -0.445 9.354 -7.050 926 HA TYR 112 HA TYR 112 0.903 7.210 -5.572 927 HB2 TYR 112 HB3 TYR 112 1.418 10.103 -6.253 928 HB3 TYR 112 HB2 TYR 112 2.482 9.232 -5.148 929 HD1 TYR 112 HD1 TYR 112 1.578 9.798 -8.594 930 HD2 TYR 112 HD2 TYR 112 3.546 7.053 -5.941 931 HE1 TYR 112 HE1 TYR 112 2.728 8.755 -10.528 932 HE2 TYR 112 HE2 TYR 112 4.697 6.009 -7.875 933 HH TYR 112 HH TYR 112 5.020 6.060 -10.065 934 H LEU 113 H LEU 113 1.023 7.015 -3.341 935 HA LEU 113 HA LEU 113 -0.778 8.762 -1.737 936 HB2 LEU 113 HB3 LEU 113 -0.132 6.000 -1.870 937 HB3 LEU 113 HB2 LEU 113 0.460 6.579 -0.313 938 HG LEU 113 HG LEU 113 -1.902 5.814 -0.186 939 HD11 LEU 113 HD11 LEU 113 -0.783 8.066 0.908 940 HD12 LEU 113 HD12 LEU 113 -2.375 7.440 1.335 941 HD13 LEU 113 HD13 LEU 113 -2.225 8.729 0.140 942 HD21 LEU 113 HD21 LEU 113 -3.343 6.348 -1.832 943 HD22 LEU 113 HD22 LEU 113 -2.075 7.278 -2.628 944 HD23 LEU 113 HD23 LEU 113 -3.143 8.061 -1.464 945 H ILE 114 H ILE 114 2.596 7.901 -2.168 946 HA ILE 114 HA ILE 114 3.324 9.800 0.040 947 HB ILE 114 HB ILE 114 4.529 7.193 -0.914 948 HG12 ILE 114 HG13 ILE 114 3.379 8.213 1.697 949 HG13 ILE 114 HG12 ILE 114 2.766 6.898 0.695 950 HG21 ILE 114 HG21 ILE 114 6.408 7.581 0.556 951 HG22 ILE 114 HG22 ILE 114 5.703 9.089 1.140 952 HG23 ILE 114 HG23 ILE 114 6.282 8.971 -0.523 953 HD11 ILE 114 HD11 ILE 114 5.073 5.791 1.088 954 HD12 ILE 114 HD12 ILE 114 3.925 5.787 2.426 955 HD13 ILE 114 HD13 ILE 114 5.250 6.952 2.403 956 H LYS 115 H LYS 115 5.231 8.211 -2.521 957 HA LYS 115 HA LYS 115 6.804 9.184 -4.011 958 HB2 LYS 115 HB3 LYS 115 4.487 9.463 -4.988 959 HB3 LYS 115 HB2 LYS 115 4.473 11.099 -4.325 960 HG2 LYS 115 HG3 LYS 115 6.913 10.985 -5.626 961 HG3 LYS 115 HG2 LYS 115 5.853 10.065 -6.695 962 HD2 LYS 115 HD3 LYS 115 4.600 11.893 -7.244 963 HD3 LYS 115 HD2 LYS 115 4.706 12.576 -5.621 964 HE2 LYS 115 HE3 LYS 115 7.268 12.497 -7.118 965 HE3 LYS 115 HE2 LYS 115 6.045 13.621 -7.746 966 HZ1 LYS 115 HZ1 LYS 115 5.863 14.694 -5.707 967 HZ2 LYS 115 HZ2 LYS 115 7.536 14.425 -5.838 968 HZ3 LYS 115 HZ3 LYS 115 6.585 13.422 -4.849 Start of MODEL 12 1 H1 GLY 1 H GLY 1 5.260 -11.868 16.332 2 HA2 GLY 1 HA3 GLY 1 6.642 -11.331 13.736 3 HA3 GLY 1 HA2 GLY 1 5.274 -12.442 13.820 4 H SER 2 H SER 2 5.705 -9.692 12.506 5 HA SER 2 HA SER 2 3.045 -8.629 13.256 6 HB2 SER 2 HB3 SER 2 4.623 -7.598 14.837 7 HB3 SER 2 HB2 SER 2 5.645 -7.079 13.500 8 HG SER 2 HG SER 2 4.033 -5.713 12.822 9 H ASP 3 H ASP 3 4.424 -9.796 10.829 10 HA ASP 3 HA ASP 3 4.928 -7.678 8.932 11 HB2 ASP 3 HB3 ASP 3 4.265 -10.626 8.771 12 HB3 ASP 3 HB2 ASP 3 4.578 -9.660 7.328 13 H THR 4 H THR 4 2.053 -9.693 9.630 14 HA THR 4 HA THR 4 0.352 -8.778 7.568 15 HB THR 4 HB THR 4 -0.462 -9.332 10.431 16 HG1 THR 4 HG1 THR 4 0.595 -11.119 10.140 17 HG21 THR 4 HG21 THR 4 -1.744 -9.577 7.719 18 HG22 THR 4 HG22 THR 4 -2.374 -8.803 9.174 19 HG23 THR 4 HG23 THR 4 -2.307 -10.563 9.069 20 H GLN 5 H GLN 5 0.814 -7.421 10.849 21 HA GLN 5 HA GLN 5 -1.018 -5.252 10.613 22 HB2 GLN 5 HB3 GLN 5 1.562 -5.636 12.161 23 HB3 GLN 5 HB2 GLN 5 0.432 -4.316 12.460 24 HG2 GLN 5 HG3 GLN 5 -0.826 -5.671 13.739 25 HG3 GLN 5 HG2 GLN 5 -1.057 -6.757 12.367 26 HE21 GLN 5 HE21 GLN 5 1.833 -5.947 14.382 27 HE22 GLN 5 HE22 GLN 5 2.207 -7.562 14.748 28 H LEU 6 H LEU 6 2.308 -5.642 9.498 29 HA LEU 6 HA LEU 6 2.940 -2.905 8.976 30 HB2 LEU 6 HB3 LEU 6 3.944 -5.567 8.460 31 HB3 LEU 6 HB2 LEU 6 4.137 -4.566 7.021 32 HG LEU 6 HG LEU 6 4.833 -3.018 9.342 33 HD11 LEU 6 HD11 LEU 6 7.007 -4.612 9.591 34 HD12 LEU 6 HD12 LEU 6 5.773 -5.835 9.289 35 HD13 LEU 6 HD13 LEU 6 5.604 -4.730 10.653 36 HD21 LEU 6 HD21 LEU 6 6.679 -4.138 7.223 37 HD22 LEU 6 HD22 LEU 6 6.821 -2.608 8.086 38 HD23 LEU 6 HD23 LEU 6 5.549 -2.827 6.885 39 H PHE 7 H PHE 7 1.322 -5.378 6.986 40 HA PHE 7 HA PHE 7 1.055 -3.652 4.658 41 HB2 PHE 7 HB3 PHE 7 0.797 -5.757 3.862 42 HB3 PHE 7 HB2 PHE 7 0.590 -6.389 5.491 43 HD1 PHE 7 HD1 PHE 7 -1.369 -7.598 5.802 44 HD2 PHE 7 HD2 PHE 7 -1.402 -4.230 3.134 45 HE1 PHE 7 HE1 PHE 7 -3.774 -7.987 5.339 46 HE2 PHE 7 HE2 PHE 7 -3.806 -4.622 2.671 47 HZ PHE 7 HZ PHE 7 -4.993 -6.500 3.773 48 H ASN 8 H ASN 8 -0.953 -4.448 7.463 49 HA ASN 8 HA ASN 8 -3.433 -3.375 6.559 50 HB2 ASN 8 HB3 ASN 8 -2.078 -4.031 9.125 51 HB3 ASN 8 HB2 ASN 8 -3.485 -2.973 9.231 52 HD21 ASN 8 HD21 ASN 8 -2.437 -6.252 8.545 53 HD22 ASN 8 HD22 ASN 8 -3.988 -6.907 8.334 54 H ARG 9 H ARG 9 -0.732 -1.799 8.314 55 HA ARG 9 HA ARG 9 -2.015 0.769 8.531 56 HB2 ARG 9 HB3 ARG 9 0.331 1.503 9.013 57 HB3 ARG 9 HB2 ARG 9 -0.138 0.072 9.929 58 HG2 ARG 9 HG3 ARG 9 1.087 -1.377 8.477 59 HG3 ARG 9 HG2 ARG 9 1.316 -0.099 7.283 60 HD2 ARG 9 HD3 ARG 9 2.490 -0.113 10.089 61 HD3 ARG 9 HD2 ARG 9 3.388 -0.398 8.584 62 HE ARG 9 HE ARG 9 1.983 2.022 8.234 63 HH11 ARG 9 HH11 ARG 9 4.436 0.678 10.263 64 HH12 ARG 9 HH12 ARG 9 5.228 2.194 10.527 65 HH21 ARG 9 HH21 ARG 9 3.006 4.005 8.580 66 HH22 ARG 9 HH22 ARG 9 4.421 4.075 9.576 67 H ALA 10 H ALA 10 0.040 -0.713 6.045 68 HA ALA 10 HA ALA 10 0.434 1.699 4.494 69 HB1 ALA 10 HB1 ALA 10 1.313 0.135 2.861 70 HB2 ALA 10 HB2 ALA 10 0.438 -1.202 3.606 71 HB3 ALA 10 HB3 ALA 10 1.782 -0.444 4.460 72 H VAL 11 H VAL 11 -1.863 -1.032 4.262 73 HA VAL 11 HA VAL 11 -3.258 0.041 1.961 74 HB VAL 11 HB VAL 11 -3.044 -2.354 3.321 75 HG11 VAL 11 HG11 VAL 11 -5.214 -2.978 4.162 76 HG12 VAL 11 HG12 VAL 11 -5.912 -1.438 3.661 77 HG13 VAL 11 HG13 VAL 11 -4.745 -1.488 4.983 78 HG21 VAL 11 HG21 VAL 11 -3.859 -1.538 0.893 79 HG22 VAL 11 HG22 VAL 11 -5.418 -2.015 1.565 80 HG23 VAL 11 HG23 VAL 11 -4.104 -3.186 1.470 81 H SER 12 H SER 12 -3.642 0.307 5.466 82 HA SER 12 HA SER 12 -6.276 1.374 5.582 83 HB2 SER 12 HB3 SER 12 -3.767 1.591 7.231 84 HB3 SER 12 HB2 SER 12 -5.205 2.500 7.690 85 HG SER 12 HG SER 12 -6.118 0.705 8.304 86 H MET 13 H MET 13 -3.131 3.053 5.258 87 HA MET 13 HA MET 13 -4.311 5.691 5.090 88 HB2 MET 13 HB3 MET 13 -2.013 6.336 4.483 89 HB3 MET 13 HB2 MET 13 -1.994 5.198 5.828 90 HG2 MET 13 HG3 MET 13 -0.823 3.685 4.634 91 HG3 MET 13 HG2 MET 13 -1.921 3.817 3.265 92 HE1 MET 13 HE1 MET 13 0.934 4.787 5.164 93 HE2 MET 13 HE2 MET 13 1.932 5.901 4.234 94 HE3 MET 13 HE3 MET 13 1.890 4.194 3.798 95 H VAL 14 H VAL 14 -3.539 3.178 2.746 96 HA VAL 14 HA VAL 14 -3.756 4.863 0.390 97 HB VAL 14 HB VAL 14 -3.799 1.900 0.988 98 HG11 VAL 14 HG11 VAL 14 -4.797 3.229 -1.363 99 HG12 VAL 14 HG12 VAL 14 -4.694 1.498 -1.036 100 HG13 VAL 14 HG13 VAL 14 -3.331 2.339 -1.773 101 HG21 VAL 14 HG21 VAL 14 -1.692 3.401 1.111 102 HG22 VAL 14 HG22 VAL 14 -1.815 3.487 -0.645 103 HG23 VAL 14 HG23 VAL 14 -1.585 1.928 0.147 104 H GLU 15 H GLU 15 -5.973 2.541 1.987 105 HA GLU 15 HA GLU 15 -8.156 3.046 0.138 106 HB2 GLU 15 HB3 GLU 15 -9.355 1.565 1.620 107 HB3 GLU 15 HB2 GLU 15 -7.697 0.973 1.530 108 HG2 GLU 15 HG3 GLU 15 -7.203 2.301 3.625 109 HG3 GLU 15 HG2 GLU 15 -8.934 2.620 3.750 110 H LYS 16 H LYS 16 -6.947 4.680 2.940 111 HA LYS 16 HA LYS 16 -9.536 6.115 3.341 112 HB2 LYS 16 HB3 LYS 16 -8.639 6.671 5.485 113 HB3 LYS 16 HB2 LYS 16 -8.156 4.998 5.204 114 HG2 LYS 16 HG3 LYS 16 -6.078 5.771 5.736 115 HG3 LYS 16 HG2 LYS 16 -6.068 6.321 4.060 116 HD2 LYS 16 HD3 LYS 16 -7.442 8.330 5.428 117 HD3 LYS 16 HD2 LYS 16 -6.121 7.893 6.512 118 HE2 LYS 16 HE3 LYS 16 -5.030 7.965 3.884 119 HE3 LYS 16 HE2 LYS 16 -5.981 9.447 4.100 120 HZ1 LYS 16 HZ1 LYS 16 -3.607 9.438 5.008 121 HZ2 LYS 16 HZ2 LYS 16 -4.208 8.432 6.237 122 HZ3 LYS 16 HZ3 LYS 16 -4.835 9.998 6.034 123 H ASN 17 H ASN 17 -6.434 6.456 1.899 124 HA ASN 17 HA ASN 17 -5.694 9.114 2.119 125 HB2 ASN 17 HB3 ASN 17 -5.230 6.938 0.428 126 HB3 ASN 17 HB2 ASN 17 -5.777 8.214 -0.661 127 HD21 ASN 17 HD21 ASN 17 -4.179 9.660 -1.309 128 HD22 ASN 17 HD22 ASN 17 -2.717 9.928 -0.488 129 H LYS 18 H LYS 18 -6.939 10.947 1.972 130 HA LYS 18 HA LYS 18 -9.565 11.081 0.887 131 HB2 LYS 18 HB3 LYS 18 -9.212 13.514 1.123 132 HB3 LYS 18 HB2 LYS 18 -8.548 12.655 2.514 133 HG2 LYS 18 HG3 LYS 18 -6.379 12.642 0.898 134 HG3 LYS 18 HG2 LYS 18 -7.144 14.137 0.355 135 HD2 LYS 18 HD3 LYS 18 -6.999 13.702 3.297 136 HD3 LYS 18 HD2 LYS 18 -5.482 14.060 2.472 137 HE2 LYS 18 HE3 LYS 18 -6.093 16.223 2.036 138 HE3 LYS 18 HE2 LYS 18 -7.772 15.774 1.681 139 HZ1 LYS 18 HZ1 LYS 18 -6.490 16.238 4.291 140 HZ2 LYS 18 HZ2 LYS 18 -7.812 15.175 4.186 141 HZ3 LYS 18 HZ3 LYS 18 -7.985 16.800 3.720 142 H ASP 19 H ASP 19 -6.403 11.547 -0.621 143 HA ASP 19 HA ASP 19 -7.360 12.784 -3.051 144 HB2 ASP 19 HB3 ASP 19 -4.886 11.163 -2.362 145 HB3 ASP 19 HB2 ASP 19 -5.081 12.097 -3.846 146 H ILE 20 H ILE 20 -6.472 9.408 -2.241 147 HA ILE 20 HA ILE 20 -7.223 8.322 -4.810 148 HB ILE 20 HB ILE 20 -6.954 7.084 -2.048 149 HG12 ILE 20 HG13 ILE 20 -4.885 8.137 -2.688 150 HG13 ILE 20 HG12 ILE 20 -4.695 6.412 -3.005 151 HG21 ILE 20 HG21 ILE 20 -6.645 4.968 -3.254 152 HG22 ILE 20 HG22 ILE 20 -6.878 5.796 -4.795 153 HG23 ILE 20 HG23 ILE 20 -8.215 5.666 -3.653 154 HD11 ILE 20 HD11 ILE 20 -3.864 7.656 -4.925 155 HD12 ILE 20 HD12 ILE 20 -5.377 8.556 -5.037 156 HD13 ILE 20 HD13 ILE 20 -5.351 6.828 -5.384 157 H ARG 21 H ARG 21 -8.949 8.919 -1.784 158 HA ARG 21 HA ARG 21 -11.246 7.346 -2.072 159 HB2 ARG 21 HB3 ARG 21 -10.838 8.725 -0.133 160 HB3 ARG 21 HB2 ARG 21 -10.837 10.193 -1.110 161 HG2 ARG 21 HG3 ARG 21 -13.295 8.857 -1.620 162 HG3 ARG 21 HG2 ARG 21 -13.070 8.880 0.129 163 HD2 ARG 21 HD3 ARG 21 -12.335 11.421 -0.423 164 HD3 ARG 21 HD2 ARG 21 -13.491 11.154 -1.744 165 HE ARG 21 HE ARG 21 -15.220 10.995 -0.133 166 HH11 ARG 21 HH11 ARG 21 -12.086 10.683 1.288 167 HH12 ARG 21 HH12 ARG 21 -12.682 10.698 2.913 168 HH21 ARG 21 HH21 ARG 21 -16.005 11.012 1.984 169 HH22 ARG 21 HH22 ARG 21 -14.896 10.883 3.307 170 H SER 22 H SER 22 -10.361 10.317 -3.785 171 HA SER 22 HA SER 22 -12.932 10.754 -5.037 172 HB2 SER 22 HB3 SER 22 -11.825 12.605 -5.766 173 HB3 SER 22 HB2 SER 22 -10.485 12.046 -4.768 174 HG SER 22 HG SER 22 -9.831 12.383 -6.921 175 H LEU 23 H LEU 23 -9.998 8.961 -5.944 176 HA LEU 23 HA LEU 23 -10.898 8.301 -8.626 177 HB2 LEU 23 HB3 LEU 23 -8.883 6.890 -6.849 178 HB3 LEU 23 HB2 LEU 23 -8.927 6.884 -8.612 179 HG LEU 23 HG LEU 23 -8.395 9.279 -6.832 180 HD11 LEU 23 HD11 LEU 23 -6.657 7.313 -7.578 181 HD12 LEU 23 HD12 LEU 23 -6.178 8.986 -7.290 182 HD13 LEU 23 HD13 LEU 23 -6.490 8.428 -8.934 183 HD21 LEU 23 HD21 LEU 23 -9.488 9.152 -9.467 184 HD22 LEU 23 HD22 LEU 23 -7.826 9.723 -9.610 185 HD23 LEU 23 HD23 LEU 23 -8.969 10.584 -8.580 186 H LEU 24 H LEU 24 -10.865 6.557 -5.509 187 HA LEU 24 HA LEU 24 -12.208 4.217 -6.653 188 HB2 LEU 24 HB3 LEU 24 -10.449 4.446 -4.735 189 HB3 LEU 24 HB2 LEU 24 -11.842 4.860 -3.733 190 HG LEU 24 HG LEU 24 -12.944 2.754 -4.546 191 HD11 LEU 24 HD11 LEU 24 -11.021 1.071 -5.323 192 HD12 LEU 24 HD12 LEU 24 -10.309 2.562 -5.938 193 HD13 LEU 24 HD13 LEU 24 -11.907 2.055 -6.489 194 HD21 LEU 24 HD21 LEU 24 -10.344 1.974 -3.280 195 HD22 LEU 24 HD22 LEU 24 -11.985 1.498 -2.844 196 HD23 LEU 24 HD23 LEU 24 -11.391 3.104 -2.421 197 H GLN 25 H GLN 25 -13.209 7.252 -5.470 198 HA GLN 25 HA GLN 25 -15.324 8.100 -4.838 199 HB2 GLN 25 HB3 GLN 25 -16.299 5.647 -6.321 200 HB3 GLN 25 HB2 GLN 25 -17.084 7.222 -6.212 201 HG2 GLN 25 HG3 GLN 25 -15.217 8.243 -7.461 202 HG3 GLN 25 HG2 GLN 25 -14.436 6.665 -7.579 203 HE21 GLN 25 HE21 GLN 25 -15.385 5.072 -9.028 204 HE22 GLN 25 HE22 GLN 25 -16.574 5.497 -10.162 205 H CYS 26 H CYS 26 -14.026 6.112 -3.013 206 HA CYS 26 HA CYS 26 -15.909 4.223 -1.990 207 HB2 CYS 26 HB3 CYS 26 -14.446 4.449 0.068 208 HB3 CYS 26 HB2 CYS 26 -13.554 4.169 -1.426 209 HG CYS 26 HG CYS 26 -12.896 6.394 0.254 210 H ASP 27 H ASP 27 -16.416 4.742 0.631 211 HA ASP 27 HA ASP 27 -17.799 7.394 0.725 212 HB2 ASP 27 HB3 ASP 27 -18.956 4.823 0.314 213 HB3 ASP 27 HB2 ASP 27 -19.402 5.341 1.938 214 H ASP 28 H ASP 28 -18.598 7.820 3.028 215 HA ASP 28 HA ASP 28 -17.697 6.370 5.302 216 HB2 ASP 28 HB3 ASP 28 -15.620 7.516 3.807 217 HB3 ASP 28 HB2 ASP 28 -15.831 8.606 5.177 218 H GLY 29 H GLY 29 -19.744 7.222 6.036 219 HA2 GLY 29 HA3 GLY 29 -19.535 9.956 7.139 220 HA3 GLY 29 HA2 GLY 29 -20.885 9.651 6.047 221 H ILE 30 H ILE 30 -21.209 10.347 8.795 222 HA ILE 30 HA ILE 30 -21.587 8.187 10.588 223 HB ILE 30 HB ILE 30 -21.681 10.578 11.165 224 HG12 ILE 30 HG13 ILE 30 -24.442 9.494 11.707 225 HG13 ILE 30 HG12 ILE 30 -23.023 8.729 12.425 226 HG21 ILE 30 HG21 ILE 30 -24.374 10.639 9.786 227 HG22 ILE 30 HG22 ILE 30 -22.891 11.186 9.004 228 HG23 ILE 30 HG23 ILE 30 -23.474 11.999 10.456 229 HD11 ILE 30 HD11 ILE 30 -22.495 11.347 12.956 230 HD12 ILE 30 HD12 ILE 30 -23.340 10.275 14.073 231 HD13 ILE 30 HD13 ILE 30 -24.257 11.355 13.022 232 H THR 31 H THR 31 -23.438 9.146 7.787 233 HA THR 31 HA THR 31 -25.832 7.613 8.557 234 HB THR 31 HB THR 31 -25.811 9.756 7.234 235 HG1 THR 31 HG1 THR 31 -27.612 8.991 6.531 236 HG21 THR 31 HG21 THR 31 -24.485 7.946 5.203 237 HG22 THR 31 HG22 THR 31 -23.836 9.432 5.895 238 HG23 THR 31 HG23 THR 31 -25.212 9.500 4.794 239 H GLY 32 H GLY 32 -22.804 6.943 7.121 240 HA2 GLY 32 HA3 GLY 32 -23.189 4.182 6.833 241 HA3 GLY 32 HA2 GLY 32 -23.602 4.881 5.267 242 H LYS 33 H LYS 33 -21.156 3.332 6.583 243 HA LYS 33 HA LYS 33 -19.074 5.089 5.324 244 HB2 LYS 33 HB3 LYS 33 -18.895 3.188 7.685 245 HB3 LYS 33 HB2 LYS 33 -17.551 4.128 7.035 246 HG2 LYS 33 HG3 LYS 33 -18.259 6.044 8.021 247 HG3 LYS 33 HG2 LYS 33 -19.946 5.734 7.609 248 HD2 LYS 33 HD3 LYS 33 -20.295 5.193 9.766 249 HD3 LYS 33 HD2 LYS 33 -19.280 3.774 9.510 250 HE2 LYS 33 HE3 LYS 33 -17.386 4.797 10.420 251 HE3 LYS 33 HE2 LYS 33 -17.977 6.431 10.063 252 HZ1 LYS 33 HZ1 LYS 33 -18.848 4.575 12.185 253 HZ2 LYS 33 HZ2 LYS 33 -19.903 5.778 11.613 254 HZ3 LYS 33 HZ3 LYS 33 -18.418 6.210 12.314 255 H GLU 34 H GLU 34 -17.480 3.998 4.060 256 HA GLU 34 HA GLU 34 -18.312 1.290 3.129 257 HB2 GLU 34 HB3 GLU 34 -18.077 3.264 1.580 258 HB3 GLU 34 HB2 GLU 34 -16.352 3.280 1.949 259 HG2 GLU 34 HG3 GLU 34 -16.755 0.640 1.322 260 HG3 GLU 34 HG2 GLU 34 -17.885 1.442 0.230 261 H ARG 35 H ARG 35 -16.883 -0.455 3.201 262 HA ARG 35 HA ARG 35 -14.280 -0.014 4.626 263 HB2 ARG 35 HB3 ARG 35 -15.939 -1.206 5.972 264 HB3 ARG 35 HB2 ARG 35 -16.244 -2.332 4.650 265 HG2 ARG 35 HG3 ARG 35 -14.715 -3.276 6.387 266 HG3 ARG 35 HG2 ARG 35 -13.963 -3.183 4.793 267 HD2 ARG 35 HD3 ARG 35 -12.372 -1.747 5.543 268 HD3 ARG 35 HD2 ARG 35 -13.584 -0.719 6.332 269 HE ARG 35 HE ARG 35 -13.211 -1.911 8.340 270 HH11 ARG 35 HH11 ARG 35 -12.021 -3.623 5.585 271 HH12 ARG 35 HH12 ARG 35 -11.270 -4.869 6.524 272 HH21 ARG 35 HH21 ARG 35 -12.238 -3.530 9.572 273 HH22 ARG 35 HH22 ARG 35 -11.391 -4.817 8.778 274 H LEU 36 H LEU 36 -12.509 -0.604 3.423 275 HA LEU 36 HA LEU 36 -12.983 -2.183 0.932 276 HB2 LEU 36 HB3 LEU 36 -10.735 -0.340 1.788 277 HB3 LEU 36 HB2 LEU 36 -10.905 -1.080 0.193 278 HG LEU 36 HG LEU 36 -13.209 0.476 1.299 279 HD11 LEU 36 HD11 LEU 36 -10.649 1.616 0.184 280 HD12 LEU 36 HD12 LEU 36 -11.468 2.046 1.686 281 HD13 LEU 36 HD13 LEU 36 -12.175 2.498 0.134 282 HD21 LEU 36 HD21 LEU 36 -12.026 0.056 -1.464 283 HD22 LEU 36 HD22 LEU 36 -13.482 0.990 -1.123 284 HD23 LEU 36 HD23 LEU 36 -13.456 -0.746 -0.812 285 H LYS 37 H LYS 37 -11.691 -3.972 0.466 286 HA LYS 37 HA LYS 37 -10.030 -5.011 2.742 287 HB2 LYS 37 HB3 LYS 37 -12.213 -6.106 1.087 288 HB3 LYS 37 HB2 LYS 37 -10.837 -7.196 1.274 289 HG2 LYS 37 HG3 LYS 37 -10.962 -6.983 3.710 290 HG3 LYS 37 HG2 LYS 37 -12.283 -5.824 3.561 291 HD2 LYS 37 HD3 LYS 37 -12.942 -8.166 2.039 292 HD3 LYS 37 HD2 LYS 37 -12.464 -8.661 3.663 293 HE2 LYS 37 HE3 LYS 37 -14.081 -7.094 4.651 294 HE3 LYS 37 HE2 LYS 37 -14.538 -6.529 3.031 295 HZ1 LYS 37 HZ1 LYS 37 -15.158 -8.781 2.441 296 HZ2 LYS 37 HZ2 LYS 37 -16.027 -8.285 3.814 297 HZ3 LYS 37 HZ3 LYS 37 -14.707 -9.342 3.977 298 H ALA 38 H ALA 38 -7.971 -5.699 2.214 299 HA ALA 38 HA ALA 38 -7.242 -5.856 -0.690 300 HB1 ALA 38 HB1 ALA 38 -6.473 -3.955 1.327 301 HB2 ALA 38 HB2 ALA 38 -5.991 -4.004 -0.369 302 HB3 ALA 38 HB3 ALA 38 -5.049 -4.876 0.841 303 H TYR 39 H TYR 39 -5.199 -7.105 -1.025 304 HA TYR 39 HA TYR 39 -4.369 -8.876 1.206 305 HB2 TYR 39 HB3 TYR 39 -4.743 -10.812 -0.547 306 HB3 TYR 39 HB2 TYR 39 -6.106 -10.222 0.400 307 HD1 TYR 39 HD1 TYR 39 -7.780 -8.707 -0.602 308 HD2 TYR 39 HD2 TYR 39 -4.575 -10.373 -2.926 309 HE1 TYR 39 HE1 TYR 39 -8.967 -8.081 -2.686 310 HE2 TYR 39 HE2 TYR 39 -5.762 -9.748 -5.012 311 HH TYR 39 HH TYR 39 -8.770 -7.873 -4.921 312 H GLY 40 H GLY 40 -2.328 -9.933 0.753 313 HA2 GLY 40 HA3 GLY 40 -0.478 -8.408 -0.774 314 HA3 GLY 40 HA2 GLY 40 -0.172 -10.033 -0.166 315 H GLU 41 H GLU 41 0.483 -11.292 -1.838 316 HA GLU 41 HA GLU 41 -0.422 -10.767 -4.588 317 HB2 GLU 41 HB3 GLU 41 1.186 -12.610 -5.066 318 HB3 GLU 41 HB2 GLU 41 1.906 -11.364 -4.046 319 HG2 GLU 41 HG3 GLU 41 1.848 -12.701 -2.139 320 HG3 GLU 41 HG2 GLU 41 0.535 -13.702 -2.759 321 H LEU 42 H LEU 42 -0.651 -13.299 -5.658 322 HA LEU 42 HA LEU 42 -2.422 -15.021 -4.144 323 HB2 LEU 42 HB3 LEU 42 -4.467 -14.406 -5.379 324 HB3 LEU 42 HB2 LEU 42 -3.815 -13.019 -4.498 325 HG LEU 42 HG LEU 42 -2.516 -13.131 -7.011 326 HD11 LEU 42 HD11 LEU 42 -5.488 -12.894 -7.417 327 HD12 LEU 42 HD12 LEU 42 -4.711 -14.475 -7.499 328 HD13 LEU 42 HD13 LEU 42 -4.228 -13.196 -8.613 329 HD21 LEU 42 HD21 LEU 42 -3.932 -11.292 -5.307 330 HD22 LEU 42 HD22 LEU 42 -4.456 -11.056 -6.974 331 HD23 LEU 42 HD23 LEU 42 -2.745 -10.934 -6.561 332 H ILE 43 H ILE 43 -0.727 -16.440 -5.154 333 HA ILE 43 HA ILE 43 -0.432 -16.764 -7.979 334 HB ILE 43 HB ILE 43 0.614 -18.877 -7.320 335 HG12 ILE 43 HG13 ILE 43 0.112 -18.782 -4.478 336 HG13 ILE 43 HG12 ILE 43 -1.419 -18.858 -5.349 337 HG21 ILE 43 HG21 ILE 43 1.068 -16.363 -5.844 338 HG22 ILE 43 HG22 ILE 43 2.217 -17.384 -6.710 339 HG23 ILE 43 HG23 ILE 43 1.739 -17.795 -5.063 340 HD11 ILE 43 HD11 ILE 43 0.490 -20.959 -4.914 341 HD12 ILE 43 HD12 ILE 43 0.361 -20.652 -6.646 342 HD13 ILE 43 HD13 ILE 43 -1.081 -21.050 -5.711 343 H THR 44 H THR 44 -1.024 -19.239 -8.778 344 HA THR 44 HA THR 44 -3.695 -19.329 -9.522 345 HB THR 44 HB THR 44 -2.136 -21.803 -8.772 346 HG1 THR 44 HG1 THR 44 -1.617 -19.875 -10.761 347 HG21 THR 44 HG21 THR 44 -3.116 -22.673 -10.828 348 HG22 THR 44 HG22 THR 44 -3.811 -21.093 -11.194 349 HG23 THR 44 HG23 THR 44 -4.394 -22.013 -9.806 350 H ASN 45 H ASN 45 -2.440 -21.476 -6.946 351 HA ASN 45 HA ASN 45 -3.468 -22.255 -4.969 352 HB2 ASN 45 HB3 ASN 45 -3.969 -19.472 -5.296 353 HB3 ASN 45 HB2 ASN 45 -5.457 -20.198 -4.687 354 HD21 ASN 45 HD21 ASN 45 -4.806 -18.895 -2.653 355 HD22 ASN 45 HD22 ASN 45 -3.748 -19.643 -1.556 356 H ASP 46 H ASP 46 -5.175 -23.655 -4.520 357 HA ASP 46 HA ASP 46 -7.221 -23.990 -6.639 358 HB2 ASP 46 HB3 ASP 46 -5.665 -25.765 -5.500 359 HB3 ASP 46 HB2 ASP 46 -6.845 -25.689 -4.193 360 H LYS 47 H LYS 47 -7.202 -21.868 -4.491 361 HA LYS 47 HA LYS 47 -8.797 -20.766 -3.132 362 HB2 LYS 47 HB3 LYS 47 -10.466 -22.673 -4.792 363 HB3 LYS 47 HB2 LYS 47 -11.182 -21.466 -3.724 364 HG2 LYS 47 HG3 LYS 47 -11.063 -20.127 -5.565 365 HG3 LYS 47 HG2 LYS 47 -9.380 -19.934 -5.075 366 HD2 LYS 47 HD3 LYS 47 -9.599 -20.553 -7.479 367 HD3 LYS 47 HD2 LYS 47 -8.705 -21.760 -6.555 368 HE2 LYS 47 HE3 LYS 47 -10.311 -23.355 -6.865 369 HE3 LYS 47 HE2 LYS 47 -11.634 -22.195 -6.640 370 HZ1 LYS 47 HZ1 LYS 47 -9.888 -22.009 -9.006 371 HZ2 LYS 47 HZ2 LYS 47 -11.481 -21.455 -8.806 372 HZ3 LYS 47 HZ3 LYS 47 -11.175 -23.115 -8.998 373 H TRP 48 H TRP 48 -10.105 -21.107 -1.188 374 HA TRP 48 HA TRP 48 -10.535 -22.216 0.856 375 HB2 TRP 48 HB3 TRP 48 -10.826 -24.504 -1.118 376 HB3 TRP 48 HB2 TRP 48 -11.480 -24.473 0.519 377 HD1 TRP 48 HD1 TRP 48 -13.220 -22.334 1.009 378 HE1 TRP 48 HE1 TRP 48 -15.042 -21.387 -0.552 379 HE3 TRP 48 HE3 TRP 48 -11.573 -24.147 -3.470 380 HZ2 TRP 48 HZ2 TRP 48 -15.710 -21.396 -3.335 381 HZ3 TRP 48 HZ3 TRP 48 -12.818 -23.664 -5.557 382 HH2 TRP 48 HH2 TRP 48 -14.883 -22.292 -5.495 383 H THR 49 H THR 49 -7.873 -21.862 0.613 384 HA THR 49 HA THR 49 -6.587 -24.528 1.037 385 HB THR 49 HB THR 49 -4.543 -23.369 0.452 386 HG1 THR 49 HG1 THR 49 -6.119 -21.160 1.058 387 HG21 THR 49 HG21 THR 49 -6.554 -22.109 -1.390 388 HG22 THR 49 HG22 THR 49 -6.403 -23.865 -1.323 389 HG23 THR 49 HG23 THR 49 -5.016 -22.877 -1.783 390 H ARG 50 H ARG 50 -4.327 -23.221 2.415 391 HA ARG 50 HA ARG 50 -5.536 -23.090 5.128 392 HB2 ARG 50 HB3 ARG 50 -3.200 -24.168 3.903 393 HB3 ARG 50 HB2 ARG 50 -2.666 -22.941 5.052 394 HG2 ARG 50 HG3 ARG 50 -3.764 -24.011 6.870 395 HG3 ARG 50 HG2 ARG 50 -4.709 -25.039 5.792 396 HD2 ARG 50 HD3 ARG 50 -1.693 -25.183 5.789 397 HD3 ARG 50 HD2 ARG 50 -2.653 -26.121 6.950 398 HE ARG 50 HE ARG 50 -3.942 -26.648 4.596 399 HH11 ARG 50 HH11 ARG 50 -0.622 -26.686 5.553 400 HH12 ARG 50 HH12 ARG 50 -0.183 -27.935 4.440 401 HH21 ARG 50 HH21 ARG 50 -3.377 -28.276 3.140 402 HH22 ARG 50 HH22 ARG 50 -1.739 -28.835 3.076 403 H ASN 51 H ASN 51 -5.252 -21.263 6.476 404 HA ASN 51 HA ASN 51 -5.109 -18.677 5.318 405 HB2 ASN 51 HB3 ASN 51 -5.935 -19.566 7.627 406 HB3 ASN 51 HB2 ASN 51 -4.265 -19.324 8.142 407 HD21 ASN 51 HD21 ASN 51 -3.371 -17.022 7.607 408 HD22 ASN 51 HD22 ASN 51 -4.451 -15.726 7.793 409 H ARG 52 H ARG 52 -3.341 -17.589 4.513 410 HA ARG 52 HA ARG 52 -0.633 -18.428 5.492 411 HB2 ARG 52 HB3 ARG 52 0.115 -17.823 3.201 412 HB3 ARG 52 HB2 ARG 52 -1.127 -19.075 3.176 413 HG2 ARG 52 HG3 ARG 52 -2.348 -17.761 1.818 414 HG3 ARG 52 HG2 ARG 52 -2.515 -16.617 3.150 415 HD2 ARG 52 HD3 ARG 52 -1.513 -15.675 0.975 416 HD3 ARG 52 HD2 ARG 52 -0.566 -15.385 2.447 417 HE ARG 52 HE ARG 52 1.082 -16.846 1.599 418 HH11 ARG 52 HH11 ARG 52 -1.967 -17.320 0.046 419 HH12 ARG 52 HH12 ARG 52 -1.352 -18.472 -1.091 420 HH21 ARG 52 HH21 ARG 52 1.893 -18.343 0.119 421 HH22 ARG 52 HH22 ARG 52 0.830 -19.049 -1.052 422 HA PRO 53 HA PRO 53 -0.392 -14.183 6.824 423 HB2 PRO 53 HB3 PRO 53 2.246 -14.286 7.594 424 HB3 PRO 53 HB2 PRO 53 0.915 -14.918 8.584 425 HG2 PRO 53 HG3 PRO 53 2.837 -16.369 6.846 426 HG3 PRO 53 HG2 PRO 53 2.131 -16.848 8.397 427 HD2 PRO 53 HD3 PRO 53 1.294 -17.817 5.984 428 HD3 PRO 53 HD2 PRO 53 0.254 -17.711 7.421 429 H ILE 54 H ILE 54 0.901 -12.248 6.121 430 HA ILE 54 HA ILE 54 1.603 -12.402 3.299 431 HB ILE 54 HB ILE 54 1.747 -10.242 5.429 432 HG12 ILE 54 HG13 ILE 54 -0.523 -10.928 4.861 433 HG13 ILE 54 HG12 ILE 54 -0.208 -9.351 4.136 434 HG21 ILE 54 HG21 ILE 54 1.764 -9.502 2.560 435 HG22 ILE 54 HG22 ILE 54 3.257 -10.221 3.163 436 HG23 ILE 54 HG23 ILE 54 2.612 -8.763 3.918 437 HD11 ILE 54 HD11 ILE 54 0.662 -11.086 2.176 438 HD12 ILE 54 HD12 ILE 54 -0.915 -10.296 2.202 439 HD13 ILE 54 HD13 ILE 54 -0.737 -11.932 2.837 440 H VAL 55 H VAL 55 3.641 -12.559 2.454 441 HA VAL 55 HA VAL 55 5.893 -13.024 4.332 442 HB VAL 55 HB VAL 55 5.639 -13.362 1.327 443 HG11 VAL 55 HG11 VAL 55 7.743 -13.968 3.351 444 HG12 VAL 55 HG12 VAL 55 7.911 -13.521 1.654 445 HG13 VAL 55 HG13 VAL 55 7.470 -15.172 2.091 446 HG21 VAL 55 HG21 VAL 55 5.614 -15.868 2.454 447 HG22 VAL 55 HG22 VAL 55 4.176 -14.989 1.933 448 HG23 VAL 55 HG23 VAL 55 4.677 -14.935 3.622 449 H SER 56 H SER 56 7.915 -11.916 4.070 450 HA SER 56 HA SER 56 7.731 -9.360 2.521 451 HB2 SER 56 HB3 SER 56 9.464 -9.550 4.928 452 HB3 SER 56 HB2 SER 56 8.436 -8.223 4.391 453 HG SER 56 HG SER 56 6.667 -9.812 4.950 454 H THR 57 H THR 57 9.585 -8.779 1.353 455 HA THR 57 HA THR 57 11.633 -10.924 1.094 456 HB THR 57 HB THR 57 12.036 -9.889 -1.076 457 HG1 THR 57 HG1 THR 57 11.839 -7.790 -0.948 458 HG21 THR 57 HG21 THR 57 9.924 -11.304 -0.602 459 HG22 THR 57 HG22 THR 57 9.956 -10.352 -2.086 460 HG23 THR 57 HG23 THR 57 9.050 -9.773 -0.689 461 H LYS 58 H LYS 58 13.801 -10.515 1.536 462 HA LYS 58 HA LYS 58 14.482 -7.768 2.538 463 HB2 LYS 58 HB3 LYS 58 16.154 -9.151 3.944 464 HB3 LYS 58 HB2 LYS 58 14.448 -9.279 4.376 465 HG2 LYS 58 HG3 LYS 58 14.291 -11.447 3.661 466 HG3 LYS 58 HG2 LYS 58 15.406 -11.191 2.318 467 HD2 LYS 58 HD3 LYS 58 16.520 -12.643 3.878 468 HD3 LYS 58 HD2 LYS 58 17.273 -11.055 4.031 469 HE2 LYS 58 HE3 LYS 58 15.959 -10.564 6.026 470 HE3 LYS 58 HE2 LYS 58 15.056 -12.081 5.838 471 HZ1 LYS 58 HZ1 LYS 58 17.948 -12.318 5.762 472 HZ2 LYS 58 HZ2 LYS 58 16.796 -13.317 6.514 473 HZ3 LYS 58 HZ3 LYS 58 17.304 -11.881 7.268 474 H LYS 59 H LYS 59 16.056 -6.780 1.340 475 HA LYS 59 HA LYS 59 18.093 -8.478 -0.049 476 HB2 LYS 59 HB3 LYS 59 16.120 -6.499 -1.123 477 HB3 LYS 59 HB2 LYS 59 17.712 -6.566 -1.880 478 HG2 LYS 59 HG3 LYS 59 16.894 -8.286 -3.099 479 HG3 LYS 59 HG2 LYS 59 17.025 -9.240 -1.621 480 HD2 LYS 59 HD3 LYS 59 14.640 -7.794 -1.329 481 HD3 LYS 59 HD2 LYS 59 14.639 -8.338 -3.007 482 HE2 LYS 59 HE3 LYS 59 15.570 -10.461 -1.254 483 HE3 LYS 59 HE2 LYS 59 13.961 -9.891 -0.768 484 HZ1 LYS 59 HZ1 LYS 59 14.410 -10.093 -3.627 485 HZ2 LYS 59 HZ2 LYS 59 13.043 -10.513 -2.710 486 HZ3 LYS 59 HZ3 LYS 59 14.366 -11.574 -2.802 487 H LEU 60 H LEU 60 20.141 -7.701 0.376 488 HA LEU 60 HA LEU 60 20.368 -4.889 1.392 489 HB2 LEU 60 HB3 LEU 60 22.331 -5.773 2.628 490 HB3 LEU 60 HB2 LEU 60 20.863 -6.666 3.021 491 HG LEU 60 HG LEU 60 22.440 -7.698 0.726 492 HD11 LEU 60 HD11 LEU 60 23.929 -6.977 2.869 493 HD12 LEU 60 HD12 LEU 60 24.287 -8.397 1.886 494 HD13 LEU 60 HD13 LEU 60 23.396 -8.572 3.398 495 HD21 LEU 60 HD21 LEU 60 20.943 -9.333 1.155 496 HD22 LEU 60 HD22 LEU 60 20.480 -8.580 2.682 497 HD23 LEU 60 HD23 LEU 60 21.855 -9.684 2.623 498 H ASP 61 H ASP 61 21.945 -3.556 0.464 499 HA ASP 61 HA ASP 61 23.145 -4.532 -2.075 500 HB2 ASP 61 HB3 ASP 61 21.937 -2.157 -1.125 501 HB3 ASP 61 HB2 ASP 61 23.634 -1.760 -1.399 502 H LYS 62 H LYS 62 25.419 -3.231 -2.398 503 HA LYS 62 HA LYS 62 27.349 -4.501 -0.739 504 HB2 LYS 62 HB3 LYS 62 28.905 -3.022 -1.926 505 HB3 LYS 62 HB2 LYS 62 27.664 -3.586 -3.044 506 HG2 LYS 62 HG3 LYS 62 26.714 -1.209 -1.750 507 HG3 LYS 62 HG2 LYS 62 28.327 -0.896 -2.394 508 HD2 LYS 62 HD3 LYS 62 27.639 -1.711 -4.597 509 HD3 LYS 62 HD2 LYS 62 26.040 -2.115 -3.969 510 HE2 LYS 62 HE3 LYS 62 25.353 0.085 -3.932 511 HE3 LYS 62 HE2 LYS 62 26.979 0.693 -3.561 512 HZ1 LYS 62 HZ1 LYS 62 27.634 0.571 -5.728 513 HZ2 LYS 62 HZ2 LYS 62 25.985 0.903 -5.971 514 HZ3 LYS 62 HZ3 LYS 62 26.563 -0.688 -6.109 515 H GLU 63 H GLU 63 25.411 -1.718 -0.152 516 HA GLU 63 HA GLU 63 27.276 -0.456 1.746 517 HB2 GLU 63 HB3 GLU 63 24.455 0.001 0.775 518 HB3 GLU 63 HB2 GLU 63 25.117 0.938 2.115 519 HG2 GLU 63 HG3 GLU 63 26.505 0.686 -0.563 520 HG3 GLU 63 HG2 GLU 63 25.397 2.002 -0.173 521 H GLY 64 H GLY 64 24.971 -2.982 1.816 522 HA2 GLY 64 HA3 GLY 64 24.477 -4.390 3.669 523 HA3 GLY 64 HA2 GLY 64 25.268 -3.224 4.729 524 H ARG 65 H ARG 65 22.887 -2.073 2.470 525 HA ARG 65 HA ARG 65 21.143 -1.304 4.748 526 HB2 ARG 65 HB3 ARG 65 22.055 -0.026 2.502 527 HB3 ARG 65 HB2 ARG 65 20.458 -0.554 1.971 528 HG2 ARG 65 HG3 ARG 65 20.128 1.592 2.967 529 HG3 ARG 65 HG2 ARG 65 19.560 0.420 4.157 530 HD2 ARG 65 HD3 ARG 65 20.946 2.011 5.344 531 HD3 ARG 65 HD2 ARG 65 21.908 0.528 5.183 532 HE ARG 65 HE ARG 65 23.323 1.674 3.671 533 HH11 ARG 65 HH11 ARG 65 20.309 3.302 4.115 534 HH12 ARG 65 HH12 ARG 65 20.774 4.688 3.186 535 HH21 ARG 65 HH21 ARG 65 23.932 3.470 2.447 536 HH22 ARG 65 HH22 ARG 65 22.821 4.782 2.242 537 H THR 66 H THR 66 19.421 -2.596 5.235 538 HA THR 66 HA THR 66 18.560 -4.736 3.436 539 HB THR 66 HB THR 66 17.539 -3.680 6.093 540 HG1 THR 66 HG1 THR 66 18.996 -6.041 5.609 541 HG21 THR 66 HG21 THR 66 17.036 -6.445 5.040 542 HG22 THR 66 HG22 THR 66 15.993 -5.119 4.526 543 HG23 THR 66 HG23 THR 66 16.123 -5.525 6.237 544 H HIS 67 H HIS 67 17.024 -4.474 1.873 545 HA HIS 67 HA HIS 67 15.190 -2.114 2.050 546 HB2 HIS 67 HB3 HIS 67 16.034 -3.879 -0.276 547 HB3 HIS 67 HB2 HIS 67 15.038 -2.429 -0.399 548 HD1 HIS 67 HD1 HIS 67 17.926 -2.771 -1.714 549 HD2 HIS 67 HD2 HIS 67 17.089 -0.757 1.839 550 HE1 HIS 67 HE1 HIS 67 19.819 -1.127 -1.360 551 H HIS 68 H HIS 68 12.940 -2.472 1.949 552 HA HIS 68 HA HIS 68 12.078 -5.347 2.002 553 HB2 HIS 68 HB3 HIS 68 11.401 -2.903 3.584 554 HB3 HIS 68 HB2 HIS 68 10.126 -4.096 3.330 555 HD1 HIS 68 HD1 HIS 68 10.437 -4.452 6.016 556 HD2 HIS 68 HD2 HIS 68 13.566 -5.778 3.602 557 HE1 HIS 68 HE1 HIS 68 11.811 -6.040 7.432 558 H TYR 69 H TYR 69 10.477 -5.937 0.574 559 HA TYR 69 HA TYR 69 9.148 -3.759 -1.010 560 HB2 TYR 69 HB3 TYR 69 9.971 -6.558 -1.856 561 HB3 TYR 69 HB2 TYR 69 9.279 -5.317 -2.903 562 HD1 TYR 69 HD1 TYR 69 12.173 -5.973 -0.625 563 HD2 TYR 69 HD2 TYR 69 10.672 -3.769 -3.993 564 HE1 TYR 69 HE1 TYR 69 14.438 -5.047 -1.029 565 HE2 TYR 69 HE2 TYR 69 12.937 -2.842 -4.396 566 HH TYR 69 HH TYR 69 15.735 -4.050 -2.740 567 H MET 70 H MET 70 6.969 -3.737 -0.607 568 HA MET 70 HA MET 70 5.579 -6.349 -0.158 569 HB2 MET 70 HB3 MET 70 6.261 -4.821 1.902 570 HB3 MET 70 HB2 MET 70 4.836 -3.903 1.411 571 HG2 MET 70 HG3 MET 70 3.406 -5.517 2.119 572 HG3 MET 70 HG2 MET 70 4.414 -6.816 1.480 573 HE1 MET 70 HE1 MET 70 6.917 -7.272 2.664 574 HE2 MET 70 HE2 MET 70 5.544 -8.374 2.754 575 HE3 MET 70 HE3 MET 70 6.514 -8.066 4.193 576 H ARG 71 H ARG 71 3.679 -6.480 -1.321 577 HA ARG 71 HA ARG 71 2.339 -3.963 -2.186 578 HB2 ARG 71 HB3 ARG 71 2.326 -4.797 -4.518 579 HB3 ARG 71 HB2 ARG 71 3.976 -4.609 -3.924 580 HG2 ARG 71 HG3 ARG 71 4.323 -6.903 -3.758 581 HG3 ARG 71 HG2 ARG 71 2.603 -7.254 -3.585 582 HD2 ARG 71 HD3 ARG 71 2.784 -6.047 -6.099 583 HD3 ARG 71 HD2 ARG 71 4.201 -7.113 -6.020 584 HE ARG 71 HE ARG 71 2.230 -8.699 -4.971 585 HH11 ARG 71 HH11 ARG 71 2.453 -6.728 -7.801 586 HH12 ARG 71 HH12 ARG 71 1.391 -7.726 -8.735 587 HH21 ARG 71 HH21 ARG 71 0.858 -10.015 -6.187 588 HH22 ARG 71 HH22 ARG 71 0.491 -9.585 -7.825 589 H PHE 72 H PHE 72 0.097 -4.233 -2.454 590 HA PHE 72 HA PHE 72 -1.044 -6.972 -2.375 591 HB2 PHE 72 HB3 PHE 72 -2.578 -5.781 -0.466 592 HB3 PHE 72 HB2 PHE 72 -1.159 -6.755 -0.095 593 HD1 PHE 72 HD1 PHE 72 -2.172 -3.230 -0.877 594 HD2 PHE 72 HD2 PHE 72 0.614 -5.820 1.118 595 HE1 PHE 72 HE1 PHE 72 -1.093 -1.259 0.173 596 HE2 PHE 72 HE2 PHE 72 1.694 -3.850 2.167 597 HZ PHE 72 HZ PHE 72 0.841 -1.569 1.695 598 H HIS 73 H HIS 73 -3.252 -7.017 -3.091 599 HA HIS 73 HA HIS 73 -4.005 -4.674 -4.741 600 HB2 HIS 73 HB3 HIS 73 -5.039 -7.513 -4.460 601 HB3 HIS 73 HB2 HIS 73 -5.662 -6.347 -5.629 602 HD1 HIS 73 HD1 HIS 73 -4.694 -6.905 -7.853 603 HD2 HIS 73 HD2 HIS 73 -1.871 -7.315 -4.813 604 HE1 HIS 73 HE1 HIS 73 -2.508 -7.505 -8.982 605 H VAL 74 H VAL 74 -6.238 -3.852 -4.654 606 HA VAL 74 HA VAL 74 -7.543 -4.243 -1.979 607 HB VAL 74 HB VAL 74 -7.375 -1.700 -3.626 608 HG11 VAL 74 HG11 VAL 74 -8.686 -2.518 -1.120 609 HG12 VAL 74 HG12 VAL 74 -9.034 -1.151 -2.176 610 HG13 VAL 74 HG13 VAL 74 -7.743 -1.036 -0.981 611 HG21 VAL 74 HG21 VAL 74 -5.208 -1.644 -2.958 612 HG22 VAL 74 HG22 VAL 74 -5.433 -2.988 -1.841 613 HG23 VAL 74 HG23 VAL 74 -5.842 -1.348 -1.340 614 H GLU 75 H GLU 75 -9.762 -4.593 -2.073 615 HA GLU 75 HA GLU 75 -11.041 -4.419 -4.783 616 HB2 GLU 75 HB3 GLU 75 -10.668 -6.557 -2.975 617 HB3 GLU 75 HB2 GLU 75 -12.380 -6.143 -2.880 618 HG2 GLU 75 HG3 GLU 75 -12.573 -6.297 -5.324 619 HG3 GLU 75 HG2 GLU 75 -10.853 -6.670 -5.447 620 H SER 76 H SER 76 -12.477 -2.753 -4.855 621 HA SER 76 HA SER 76 -13.892 -1.956 -2.339 622 HB2 SER 76 HB3 SER 76 -12.322 -0.374 -3.594 623 HB3 SER 76 HB2 SER 76 -13.512 -0.372 -4.892 624 HG SER 76 HG SER 76 -14.327 1.192 -3.719 625 H LYS 77 H LYS 77 -16.135 -0.952 -2.879 626 HA LYS 77 HA LYS 77 -17.707 -2.952 -4.321 627 HB2 LYS 77 HB3 LYS 77 -18.088 -0.613 -2.540 628 HB3 LYS 77 HB2 LYS 77 -19.413 -0.922 -3.664 629 HG2 LYS 77 HG3 LYS 77 -18.964 -3.443 -2.815 630 HG3 LYS 77 HG2 LYS 77 -18.450 -2.560 -1.378 631 HD2 LYS 77 HD3 LYS 77 -20.868 -1.372 -2.346 632 HD3 LYS 77 HD2 LYS 77 -21.113 -3.115 -2.229 633 HE2 LYS 77 HE3 LYS 77 -21.612 -2.480 -0.038 634 HE3 LYS 77 HE2 LYS 77 -19.867 -2.759 0.117 635 HZ1 LYS 77 HZ1 LYS 77 -20.780 -0.152 -0.861 636 HZ2 LYS 77 HZ2 LYS 77 -19.399 -0.542 0.050 637 HZ3 LYS 77 HZ3 LYS 77 -20.923 -0.467 0.799 638 H LYS 78 H LYS 78 -16.182 0.025 -5.140 639 HA LYS 78 HA LYS 78 -18.000 0.495 -7.454 640 HB2 LYS 78 HB3 LYS 78 -15.639 2.102 -6.437 641 HB3 LYS 78 HB2 LYS 78 -16.922 2.660 -7.513 642 HG2 LYS 78 HG3 LYS 78 -18.262 1.641 -5.271 643 HG3 LYS 78 HG2 LYS 78 -16.894 2.537 -4.611 644 HD2 LYS 78 HD3 LYS 78 -17.619 4.557 -5.476 645 HD3 LYS 78 HD2 LYS 78 -18.471 3.796 -6.819 646 HE2 LYS 78 HE3 LYS 78 -20.010 2.806 -4.919 647 HE3 LYS 78 HE2 LYS 78 -19.382 4.174 -3.978 648 HZ1 LYS 78 HZ1 LYS 78 -21.228 5.023 -5.135 649 HZ2 LYS 78 HZ2 LYS 78 -20.796 4.243 -6.581 650 HZ3 LYS 78 HZ3 LYS 78 -19.882 5.559 -6.016 651 H LYS 79 H LYS 79 -14.732 -0.563 -6.665 652 HA LYS 79 HA LYS 79 -14.315 -1.736 -9.258 653 HB2 LYS 79 HB3 LYS 79 -12.517 -0.042 -9.944 654 HB3 LYS 79 HB2 LYS 79 -14.187 0.515 -10.061 655 HG2 LYS 79 HG3 LYS 79 -13.348 1.058 -7.411 656 HG3 LYS 79 HG2 LYS 79 -12.043 1.593 -8.470 657 HD2 LYS 79 HD3 LYS 79 -14.964 2.333 -8.814 658 HD3 LYS 79 HD2 LYS 79 -13.734 3.379 -8.100 659 HE2 LYS 79 HE3 LYS 79 -12.728 2.401 -10.605 660 HE3 LYS 79 HE2 LYS 79 -14.347 3.080 -10.867 661 HZ1 LYS 79 HZ1 LYS 79 -12.408 4.459 -9.127 662 HZ2 LYS 79 HZ2 LYS 79 -13.748 5.101 -9.951 663 HZ3 LYS 79 HZ3 LYS 79 -12.343 4.677 -10.807 664 H ILE 80 H ILE 80 -11.843 -2.254 -9.524 665 HA ILE 80 HA ILE 80 -10.763 -2.918 -6.809 666 HB ILE 80 HB ILE 80 -10.221 -4.193 -9.510 667 HG12 ILE 80 HG13 ILE 80 -12.164 -4.985 -7.315 668 HG13 ILE 80 HG12 ILE 80 -12.600 -4.398 -8.920 669 HG21 ILE 80 HG21 ILE 80 -9.479 -4.800 -6.663 670 HG22 ILE 80 HG22 ILE 80 -8.475 -4.861 -8.111 671 HG23 ILE 80 HG23 ILE 80 -9.667 -6.125 -7.812 672 HD11 ILE 80 HD11 ILE 80 -10.876 -6.471 -9.502 673 HD12 ILE 80 HD12 ILE 80 -12.636 -6.585 -9.513 674 HD13 ILE 80 HD13 ILE 80 -11.730 -7.076 -8.082 675 H ALA 81 H ALA 81 -8.621 -2.354 -6.339 676 HA ALA 81 HA ALA 81 -7.060 -0.975 -8.493 677 HB1 ALA 81 HB1 ALA 81 -7.592 0.938 -7.396 678 HB2 ALA 81 HB2 ALA 81 -6.514 0.377 -6.119 679 HB3 ALA 81 HB3 ALA 81 -8.244 0.049 -6.020 680 H LEU 82 H LEU 82 -4.740 -1.004 -8.106 681 HA LEU 82 HA LEU 82 -3.888 -3.171 -6.215 682 HB2 LEU 82 HB3 LEU 82 -3.670 -3.073 -8.909 683 HB3 LEU 82 HB2 LEU 82 -2.167 -2.261 -8.470 684 HG LEU 82 HG LEU 82 -3.060 -4.968 -7.432 685 HD11 LEU 82 HD11 LEU 82 -1.455 -4.090 -9.759 686 HD12 LEU 82 HD12 LEU 82 -2.322 -5.604 -9.494 687 HD13 LEU 82 HD13 LEU 82 -0.725 -5.367 -8.785 688 HD21 LEU 82 HD21 LEU 82 -1.649 -4.328 -5.748 689 HD22 LEU 82 HD22 LEU 82 -0.889 -3.073 -6.727 690 HD23 LEU 82 HD23 LEU 82 -0.395 -4.756 -6.913 691 H VAL 83 H VAL 83 -2.332 -2.640 -4.684 692 HA VAL 83 HA VAL 83 -1.230 0.147 -4.792 693 HB VAL 83 HB VAL 83 -1.770 -1.663 -2.416 694 HG11 VAL 83 HG11 VAL 83 -0.407 -0.153 -1.414 695 HG12 VAL 83 HG12 VAL 83 -1.760 0.965 -1.570 696 HG13 VAL 83 HG13 VAL 83 -0.479 0.953 -2.785 697 HG21 VAL 83 HG21 VAL 83 -3.361 0.793 -3.085 698 HG22 VAL 83 HG22 VAL 83 -3.841 -0.623 -2.151 699 HG23 VAL 83 HG23 VAL 83 -3.738 -0.719 -3.909 700 H HIS 84 H HIS 84 0.968 0.336 -4.821 701 HA HIS 84 HA HIS 84 2.626 -2.048 -4.063 702 HB2 HIS 84 HB3 HIS 84 2.336 -1.710 -6.538 703 HB3 HIS 84 HB2 HIS 84 3.069 -0.115 -6.364 704 HD1 HIS 84 HD1 HIS 84 3.884 -3.774 -6.305 705 HD2 HIS 84 HD2 HIS 84 5.875 -0.142 -5.828 706 HE1 HIS 84 HE1 HIS 84 6.360 -4.301 -6.367 707 H LEU 85 H LEU 85 4.231 -1.505 -2.592 708 HA LEU 85 HA LEU 85 5.115 1.349 -2.463 709 HB2 LEU 85 HB3 LEU 85 4.653 1.431 -0.121 710 HB3 LEU 85 HB2 LEU 85 3.222 0.703 -0.852 711 HG LEU 85 HG LEU 85 4.571 -1.548 -0.414 712 HD11 LEU 85 HD11 LEU 85 6.113 0.478 0.953 713 HD12 LEU 85 HD12 LEU 85 6.459 -1.242 0.775 714 HD13 LEU 85 HD13 LEU 85 5.466 -0.676 2.118 715 HD21 LEU 85 HD21 LEU 85 3.018 -1.915 1.223 716 HD22 LEU 85 HD22 LEU 85 2.396 -0.348 0.707 717 HD23 LEU 85 HD23 LEU 85 3.461 -0.455 2.109 718 H GLU 86 H GLU 86 7.239 1.621 -1.657 719 HA GLU 86 HA GLU 86 8.816 -0.904 -1.256 720 HB2 GLU 86 HB3 GLU 86 8.991 1.161 -3.207 721 HB3 GLU 86 HB2 GLU 86 10.390 1.339 -2.147 722 HG2 GLU 86 HG3 GLU 86 10.876 -1.091 -2.441 723 HG3 GLU 86 HG2 GLU 86 9.543 -1.187 -3.594 724 H ALA 87 H ALA 87 10.109 -0.921 0.600 725 HA ALA 87 HA ALA 87 10.333 1.653 2.124 726 HB1 ALA 87 HB1 ALA 87 8.554 0.274 3.051 727 HB2 ALA 87 HB2 ALA 87 9.927 0.237 4.159 728 HB3 ALA 87 HB3 ALA 87 9.618 -1.132 3.090 729 H LYS 88 H LYS 88 12.319 1.999 3.102 730 HA LYS 88 HA LYS 88 14.339 -0.212 3.021 731 HB2 LYS 88 HB3 LYS 88 15.953 1.617 2.288 732 HB3 LYS 88 HB2 LYS 88 14.727 1.190 1.092 733 HG2 LYS 88 HG3 LYS 88 13.676 3.205 1.259 734 HG3 LYS 88 HG2 LYS 88 13.939 3.310 3.000 735 HD2 LYS 88 HD3 LYS 88 16.423 3.461 1.442 736 HD3 LYS 88 HD2 LYS 88 15.302 4.780 1.098 737 HE2 LYS 88 HE3 LYS 88 16.167 5.749 2.975 738 HE3 LYS 88 HE2 LYS 88 15.181 4.572 3.867 739 HZ1 LYS 88 HZ1 LYS 88 17.000 2.977 3.682 740 HZ2 LYS 88 HZ2 LYS 88 17.503 4.377 4.503 741 HZ3 LYS 88 HZ3 LYS 88 17.952 4.131 2.883 742 H GLU 89 H GLU 89 15.749 -0.198 4.815 743 HA GLU 89 HA GLU 89 14.918 1.472 7.097 744 HB2 GLU 89 HB3 GLU 89 16.423 -0.032 8.317 745 HB3 GLU 89 HB2 GLU 89 15.405 -0.976 7.227 746 HG2 GLU 89 HG3 GLU 89 17.414 -1.880 6.602 747 HG3 GLU 89 HG2 GLU 89 17.478 -0.451 5.571 748 H SER 90 H SER 90 16.043 3.253 7.816 749 HA SER 90 HA SER 90 18.622 3.904 6.435 750 HB2 SER 90 HB3 SER 90 17.713 6.223 7.577 751 HB3 SER 90 HB2 SER 90 17.316 5.711 5.938 752 HG SER 90 HG SER 90 15.393 4.946 6.638 753 H LYS 91 H LYS 91 20.408 3.752 7.733 754 HA LYS 91 HA LYS 91 21.729 3.646 9.695 755 HB2 LYS 91 HB3 LYS 91 20.317 5.998 9.572 756 HB3 LYS 91 HB2 LYS 91 19.846 5.390 11.157 757 HG2 LYS 91 HG3 LYS 91 22.734 5.190 10.508 758 HG3 LYS 91 HG2 LYS 91 22.109 6.823 10.730 759 HD2 LYS 91 HD3 LYS 91 21.622 6.486 12.955 760 HD3 LYS 91 HD2 LYS 91 21.291 4.769 12.733 761 HE2 LYS 91 HE3 LYS 91 23.355 4.856 13.945 762 HE3 LYS 91 HE2 LYS 91 23.828 4.528 12.266 763 HZ1 LYS 91 HZ1 LYS 91 23.470 7.309 13.145 764 HZ2 LYS 91 HZ2 LYS 91 24.466 6.689 11.916 765 HZ3 LYS 91 HZ3 LYS 91 24.908 6.506 13.546 766 H GLN 92 H GLN 92 21.580 3.077 12.110 767 HA GLN 92 HA GLN 92 19.351 1.127 12.504 768 HB2 GLN 92 HB3 GLN 92 21.509 0.129 12.555 769 HB3 GLN 92 HB2 GLN 92 22.173 1.438 13.534 770 HG2 GLN 92 HG3 GLN 92 21.177 0.667 15.489 771 HG3 GLN 92 HG2 GLN 92 19.890 -0.173 14.624 772 HE21 GLN 92 HE21 GLN 92 21.641 -1.382 16.660 773 HE22 GLN 92 HE22 GLN 92 22.501 -2.626 15.888 774 H ASN 93 H ASN 93 17.966 3.067 13.192 775 HA ASN 93 HA ASN 93 18.013 3.294 16.111 776 HB2 ASN 93 HB3 ASN 93 18.550 5.605 16.246 777 HB3 ASN 93 HB2 ASN 93 19.721 4.953 15.101 778 HD21 ASN 93 HD21 ASN 93 19.677 5.765 12.961 779 HD22 ASN 93 HD22 ASN 93 18.543 6.896 12.403 780 H TYR 94 H TYR 94 16.229 2.607 13.703 781 HA TYR 94 HA TYR 94 13.756 3.663 14.788 782 HB2 TYR 94 HB3 TYR 94 15.120 5.482 13.335 783 HB3 TYR 94 HB2 TYR 94 14.250 4.678 12.030 784 HD1 TYR 94 HD1 TYR 94 12.207 5.618 11.457 785 HD2 TYR 94 HD2 TYR 94 13.531 5.821 15.538 786 HE1 TYR 94 HE1 TYR 94 10.147 6.858 12.065 787 HE2 TYR 94 HE2 TYR 94 11.472 7.062 16.145 788 HH TYR 94 HH TYR 94 8.794 7.325 14.018 789 H GLN 95 H GLN 95 11.903 3.159 13.112 790 HA GLN 95 HA GLN 95 12.388 0.422 12.093 791 HB2 GLN 95 HB3 GLN 95 9.957 0.351 12.012 792 HB3 GLN 95 HB2 GLN 95 10.434 1.107 13.532 793 HG2 GLN 95 HG3 GLN 95 10.045 3.327 12.599 794 HG3 GLN 95 HG2 GLN 95 9.684 2.630 11.020 795 HE21 GLN 95 HE21 GLN 95 8.593 1.975 14.411 796 HE22 GLN 95 HE22 GLN 95 6.943 1.927 14.018 797 HA PRO 96 HA PRO 96 12.816 1.314 7.829 798 HB2 PRO 96 HB3 PRO 96 10.473 -0.466 7.347 799 HB3 PRO 96 HB2 PRO 96 12.111 -0.551 6.670 800 HG2 PRO 96 HG3 PRO 96 11.252 -2.228 8.584 801 HG3 PRO 96 HG2 PRO 96 12.937 -1.705 8.453 802 HD2 PRO 96 HD3 PRO 96 10.889 -0.952 10.439 803 HD3 PRO 96 HD2 PRO 96 12.660 -0.941 10.574 804 H ASP 97 H ASP 97 11.747 2.554 6.150 805 HA ASP 97 HA ASP 97 9.013 3.569 6.833 806 HB2 ASP 97 HB3 ASP 97 11.622 4.960 6.630 807 HB3 ASP 97 HB2 ASP 97 10.279 5.765 5.818 808 H PHE 98 H PHE 98 7.836 4.357 4.954 809 HA PHE 98 HA PHE 98 8.512 2.936 2.482 810 HB2 PHE 98 HB3 PHE 98 6.314 4.928 3.124 811 HB3 PHE 98 HB2 PHE 98 6.327 3.785 1.783 812 HD1 PHE 98 HD1 PHE 98 4.979 4.316 4.919 813 HD2 PHE 98 HD2 PHE 98 6.964 1.252 2.657 814 HE1 PHE 98 HE1 PHE 98 3.974 2.585 6.383 815 HE2 PHE 98 HE2 PHE 98 5.960 -0.480 4.122 816 HZ PHE 98 HZ PHE 98 4.465 0.187 5.986 817 H ILE 99 H ILE 99 9.322 3.856 0.604 818 HA ILE 99 HA ILE 99 9.925 6.796 0.679 819 HB ILE 99 HB ILE 99 11.783 5.932 -0.985 820 HG12 ILE 99 HG13 ILE 99 11.390 3.431 0.666 821 HG13 ILE 99 HG12 ILE 99 10.679 3.597 -0.941 822 HG21 ILE 99 HG21 ILE 99 12.918 5.027 1.366 823 HG22 ILE 99 HG22 ILE 99 11.613 6.065 1.941 824 HG23 ILE 99 HG23 ILE 99 12.842 6.714 0.856 825 HD11 ILE 99 HD11 ILE 99 12.753 3.648 -2.002 826 HD12 ILE 99 HD12 ILE 99 13.073 2.531 -0.676 827 HD13 ILE 99 HD13 ILE 99 13.591 4.212 -0.558 828 H ASN 100 H ASN 100 8.407 4.197 -1.013 829 HA ASN 100 HA ASN 100 7.556 6.094 -3.150 830 HB2 ASN 100 HB3 ASN 100 8.724 3.320 -3.563 831 HB3 ASN 100 HB2 ASN 100 8.082 4.353 -4.840 832 HD21 ASN 100 HD21 ASN 100 10.954 3.487 -3.317 833 HD22 ASN 100 HD22 ASN 100 11.883 4.851 -3.714 834 H MET 101 H MET 101 5.351 5.907 -3.418 835 HA MET 101 HA MET 101 4.045 3.277 -2.949 836 HB2 MET 101 HB3 MET 101 4.211 5.343 -1.029 837 HB3 MET 101 HB2 MET 101 2.562 5.398 -1.652 838 HG2 MET 101 HG3 MET 101 3.413 2.657 -1.239 839 HG3 MET 101 HG2 MET 101 3.573 3.594 0.247 840 HE1 MET 101 HE1 MET 101 1.317 1.090 -0.764 841 HE2 MET 101 HE2 MET 101 0.254 1.571 0.555 842 HE3 MET 101 HE3 MET 101 1.998 1.566 0.797 843 H TYR 102 H TYR 102 2.702 2.987 -4.677 844 HA TYR 102 HA TYR 102 1.053 5.271 -5.631 845 HB2 TYR 102 HB3 TYR 102 1.829 4.970 -7.917 846 HB3 TYR 102 HB2 TYR 102 3.239 5.198 -6.881 847 HD1 TYR 102 HD1 TYR 102 1.171 2.641 -8.621 848 HD2 TYR 102 HD2 TYR 102 4.873 3.482 -6.613 849 HE1 TYR 102 HE1 TYR 102 2.067 0.451 -9.358 850 HE2 TYR 102 HE2 TYR 102 5.771 1.291 -7.350 851 HH TYR 102 HH TYR 102 4.560 -0.471 -9.766 852 H VAL 103 H VAL 103 -0.785 4.528 -6.922 853 HA VAL 103 HA VAL 103 -1.317 1.584 -6.664 854 HB VAL 103 HB VAL 103 -3.251 3.904 -6.369 855 HG11 VAL 103 HG11 VAL 103 -3.817 1.214 -5.258 856 HG12 VAL 103 HG12 VAL 103 -3.827 1.329 -7.019 857 HG13 VAL 103 HG13 VAL 103 -4.900 2.352 -6.062 858 HG21 VAL 103 HG21 VAL 103 -2.693 2.263 -4.011 859 HG22 VAL 103 HG22 VAL 103 -2.729 4.018 -4.169 860 HG23 VAL 103 HG23 VAL 103 -1.267 3.124 -4.586 861 H ASP 104 H ASP 104 -2.464 0.643 -8.417 862 HA ASP 104 HA ASP 104 -2.581 2.329 -10.885 863 HB2 ASP 104 HB3 ASP 104 -1.277 0.016 -10.409 864 HB3 ASP 104 HB2 ASP 104 -2.827 -0.641 -10.932 865 H VAL 105 H VAL 105 -4.639 3.043 -11.311 866 HA VAL 105 HA VAL 105 -6.939 1.290 -10.536 867 HB VAL 105 HB VAL 105 -6.886 3.499 -9.503 868 HG11 VAL 105 HG11 VAL 105 -7.012 5.526 -11.020 869 HG12 VAL 105 HG12 VAL 105 -6.584 4.462 -12.360 870 HG13 VAL 105 HG13 VAL 105 -5.455 4.696 -11.024 871 HG21 VAL 105 HG21 VAL 105 -9.098 2.691 -10.137 872 HG22 VAL 105 HG22 VAL 105 -8.889 3.312 -11.775 873 HG23 VAL 105 HG23 VAL 105 -9.023 4.430 -10.418 874 HA PRO 106 HA PRO 106 -7.440 0.555 -14.874 875 HB2 PRO 106 HB3 PRO 106 -9.965 -0.533 -14.721 876 HB3 PRO 106 HB2 PRO 106 -8.479 -1.425 -14.341 877 HG2 PRO 106 HG3 PRO 106 -10.456 -0.175 -12.512 878 HG3 PRO 106 HG2 PRO 106 -9.528 -1.669 -12.323 879 HD2 PRO 106 HD3 PRO 106 -8.908 0.666 -11.058 880 HD3 PRO 106 HD2 PRO 106 -7.709 -0.582 -11.464 881 H GLY 107 H GLY 107 -8.134 1.937 -16.449 882 HA2 GLY 107 HA3 GLY 107 -9.639 3.348 -17.625 883 HA3 GLY 107 HA2 GLY 107 -10.736 3.281 -16.248 884 H GLU 108 H GLU 108 -8.311 4.003 -14.480 885 HA GLU 108 HA GLU 108 -8.331 6.934 -15.130 886 HB2 GLU 108 HB3 GLU 108 -8.323 5.460 -12.476 887 HB3 GLU 108 HB2 GLU 108 -8.242 7.214 -12.647 888 HG2 GLU 108 HG3 GLU 108 -10.406 6.479 -14.245 889 HG3 GLU 108 HG2 GLU 108 -10.557 5.450 -12.821 890 H LYS 109 H LYS 109 -6.364 8.104 -14.458 891 HA LYS 109 HA LYS 109 -3.923 6.674 -15.077 892 HB2 LYS 109 HB3 LYS 109 -4.892 9.355 -14.754 893 HB3 LYS 109 HB2 LYS 109 -3.435 9.172 -13.777 894 HG2 LYS 109 HG3 LYS 109 -2.274 9.481 -15.691 895 HG3 LYS 109 HG2 LYS 109 -2.795 7.857 -16.140 896 HD2 LYS 109 HD3 LYS 109 -4.521 8.639 -17.498 897 HD3 LYS 109 HD2 LYS 109 -4.633 10.177 -16.641 898 HE2 LYS 109 HE3 LYS 109 -3.564 10.764 -18.675 899 HE3 LYS 109 HE2 LYS 109 -2.205 10.576 -17.551 900 HZ1 LYS 109 HZ1 LYS 109 -1.479 9.079 -19.040 901 HZ2 LYS 109 HZ2 LYS 109 -3.002 8.896 -19.769 902 HZ3 LYS 109 HZ3 LYS 109 -2.629 8.046 -18.346 903 H ARG 110 H ARG 110 -2.207 6.143 -13.618 904 HA ARG 110 HA ARG 110 -3.007 5.288 -10.978 905 HB2 ARG 110 HB3 ARG 110 -0.204 5.674 -12.063 906 HB3 ARG 110 HB2 ARG 110 -0.742 4.489 -10.873 907 HG2 ARG 110 HG3 ARG 110 -1.182 3.031 -12.526 908 HG3 ARG 110 HG2 ARG 110 -2.351 4.163 -13.207 909 HD2 ARG 110 HD3 ARG 110 -0.777 3.830 -14.965 910 HD3 ARG 110 HD2 ARG 110 -0.264 5.358 -14.224 911 HE ARG 110 HE ARG 110 0.968 3.150 -12.857 912 HH11 ARG 110 HH11 ARG 110 1.019 4.959 -15.798 913 HH12 ARG 110 HH12 ARG 110 2.701 4.676 -16.095 914 HH21 ARG 110 HH21 ARG 110 3.165 2.780 -13.230 915 HH22 ARG 110 HH22 ARG 110 3.914 3.445 -14.643 916 H TYR 111 H TYR 111 -2.782 6.344 -9.028 917 HA TYR 111 HA TYR 111 -1.529 9.067 -9.077 918 HB2 TYR 111 HB3 TYR 111 -4.086 8.458 -8.593 919 HB3 TYR 111 HB2 TYR 111 -3.455 8.157 -6.974 920 HD1 TYR 111 HD1 TYR 111 -2.807 10.700 -9.666 921 HD2 TYR 111 HD2 TYR 111 -3.731 9.958 -5.537 922 HE1 TYR 111 HE1 TYR 111 -2.780 13.140 -9.220 923 HE2 TYR 111 HE2 TYR 111 -3.701 12.397 -5.091 924 HH TYR 111 HH TYR 111 -4.086 14.533 -6.546 925 H TYR 112 H TYR 112 0.241 9.342 -7.752 926 HA TYR 112 HA TYR 112 1.156 7.085 -6.097 927 HB2 TYR 112 HB3 TYR 112 3.196 8.345 -6.017 928 HB3 TYR 112 HB2 TYR 112 2.547 8.574 -7.640 929 HD1 TYR 112 HD1 TYR 112 1.852 10.724 -8.412 930 HD2 TYR 112 HD2 TYR 112 2.847 10.131 -4.276 931 HE1 TYR 112 HE1 TYR 112 1.795 13.177 -8.047 932 HE2 TYR 112 HE2 TYR 112 2.791 12.583 -3.911 933 HH TYR 112 HH TYR 112 2.832 14.605 -5.009 934 H LEU 113 H LEU 113 1.290 7.113 -3.829 935 HA LEU 113 HA LEU 113 -0.368 9.170 -2.466 936 HB2 LEU 113 HB3 LEU 113 0.034 6.379 -2.280 937 HB3 LEU 113 HB2 LEU 113 0.698 7.060 -0.795 938 HG LEU 113 HG LEU 113 -1.542 8.479 -0.838 939 HD11 LEU 113 HD11 LEU 113 -3.413 7.122 -1.734 940 HD12 LEU 113 HD12 LEU 113 -2.252 5.965 -2.384 941 HD13 LEU 113 HD13 LEU 113 -2.302 7.613 -3.013 942 HD21 LEU 113 HD21 LEU 113 -2.628 6.547 0.441 943 HD22 LEU 113 HD22 LEU 113 -1.032 7.042 1.005 944 HD23 LEU 113 HD23 LEU 113 -1.208 5.594 0.013 945 H ILE 114 H ILE 114 2.918 7.799 -2.405 946 HA ILE 114 HA ILE 114 3.721 9.909 -0.441 947 HB ILE 114 HB ILE 114 4.886 7.252 -1.313 948 HG12 ILE 114 HG13 ILE 114 3.803 8.311 1.318 949 HG13 ILE 114 HG12 ILE 114 3.025 7.121 0.274 950 HG21 ILE 114 HG21 ILE 114 6.214 9.576 -0.196 951 HG22 ILE 114 HG22 ILE 114 6.912 8.040 -0.713 952 HG23 ILE 114 HG23 ILE 114 6.287 8.218 0.927 953 HD11 ILE 114 HD11 ILE 114 5.819 6.547 1.141 954 HD12 ILE 114 HD12 ILE 114 4.472 5.438 0.880 955 HD13 ILE 114 HD13 ILE 114 4.551 6.397 2.358 956 H LYS 115 H LYS 115 5.498 8.180 -3.019 957 HA LYS 115 HA LYS 115 7.096 9.042 -4.551 958 HB2 LYS 115 HB3 LYS 115 4.732 9.531 -5.406 959 HB3 LYS 115 HB2 LYS 115 4.968 11.180 -4.823 960 HG2 LYS 115 HG3 LYS 115 7.099 11.242 -6.205 961 HG3 LYS 115 HG2 LYS 115 6.576 9.723 -6.933 962 HD2 LYS 115 HD3 LYS 115 4.987 10.738 -8.196 963 HD3 LYS 115 HD2 LYS 115 4.492 11.802 -6.879 964 HE2 LYS 115 HE3 LYS 115 7.144 12.252 -8.243 965 HE3 LYS 115 HE2 LYS 115 5.648 12.881 -8.965 966 HZ1 LYS 115 HZ1 LYS 115 6.998 14.146 -7.032 967 HZ2 LYS 115 HZ2 LYS 115 5.901 13.245 -6.099 968 HZ3 LYS 115 HZ3 LYS 115 5.330 14.321 -7.284 Start of MODEL 13 1 H1 GLY 1 H GLY 1 8.762 -7.392 13.171 2 HA2 GLY 1 HA3 GLY 1 7.587 -9.943 12.522 3 HA3 GLY 1 HA2 GLY 1 7.309 -9.550 14.219 4 H SER 2 H SER 2 4.993 -9.541 13.421 5 HA SER 2 HA SER 2 3.058 -8.220 13.074 6 HB2 SER 2 HB3 SER 2 4.732 -6.580 14.259 7 HB3 SER 2 HB2 SER 2 4.878 -5.859 12.658 8 HG SER 2 HG SER 2 3.086 -5.243 14.321 9 H ASP 3 H ASP 3 4.540 -9.507 10.855 10 HA ASP 3 HA ASP 3 4.762 -7.817 8.562 11 HB2 ASP 3 HB3 ASP 3 4.100 -10.757 8.928 12 HB3 ASP 3 HB2 ASP 3 4.509 -10.033 7.373 13 H THR 4 H THR 4 2.015 -9.733 9.810 14 HA THR 4 HA THR 4 0.167 -9.218 7.715 15 HB THR 4 HB THR 4 -0.213 -9.597 10.705 16 HG1 THR 4 HG1 THR 4 0.202 -11.594 10.272 17 HG21 THR 4 HG21 THR 4 -2.475 -10.449 10.006 18 HG22 THR 4 HG22 THR 4 -2.153 -9.817 8.391 19 HG23 THR 4 HG23 THR 4 -2.256 -8.715 9.765 20 H GLN 5 H GLN 5 0.814 -7.404 10.726 21 HA GLN 5 HA GLN 5 -1.139 -5.334 10.207 22 HB2 GLN 5 HB3 GLN 5 1.323 -5.560 11.965 23 HB3 GLN 5 HB2 GLN 5 0.211 -4.192 12.031 24 HG2 GLN 5 HG3 GLN 5 -1.611 -5.586 12.712 25 HG3 GLN 5 HG2 GLN 5 -0.707 -7.057 12.348 26 HE21 GLN 5 HE21 GLN 5 0.077 -4.080 14.245 27 HE22 GLN 5 HE22 GLN 5 0.580 -4.924 15.630 28 H LEU 6 H LEU 6 2.263 -5.800 9.368 29 HA LEU 6 HA LEU 6 3.021 -3.181 8.643 30 HB2 LEU 6 HB3 LEU 6 3.699 -5.978 7.879 31 HB3 LEU 6 HB2 LEU 6 4.256 -4.714 6.782 32 HG LEU 6 HG LEU 6 4.718 -4.606 9.770 33 HD11 LEU 6 HD11 LEU 6 6.026 -6.225 7.717 34 HD12 LEU 6 HD12 LEU 6 6.199 -6.288 9.471 35 HD13 LEU 6 HD13 LEU 6 7.153 -5.140 8.532 36 HD21 LEU 6 HD21 LEU 6 6.228 -2.849 9.257 37 HD22 LEU 6 HD22 LEU 6 4.829 -2.531 8.231 38 HD23 LEU 6 HD23 LEU 6 6.273 -3.277 7.547 39 H PHE 7 H PHE 7 1.255 -5.633 6.752 40 HA PHE 7 HA PHE 7 0.974 -3.912 4.416 41 HB2 PHE 7 HB3 PHE 7 0.679 -6.018 3.628 42 HB3 PHE 7 HB2 PHE 7 0.515 -6.645 5.264 43 HD1 PHE 7 HD1 PHE 7 -1.404 -7.910 5.548 44 HD2 PHE 7 HD2 PHE 7 -1.575 -4.421 3.044 45 HE1 PHE 7 HE1 PHE 7 -3.819 -8.309 5.154 46 HE2 PHE 7 HE2 PHE 7 -3.988 -4.823 2.651 47 HZ PHE 7 HZ PHE 7 -5.112 -6.766 3.704 48 H ASN 8 H ASN 8 -0.980 -4.740 7.249 49 HA ASN 8 HA ASN 8 -3.457 -3.589 6.415 50 HB2 ASN 8 HB3 ASN 8 -2.071 -4.268 8.985 51 HB3 ASN 8 HB2 ASN 8 -3.565 -3.332 9.059 52 HD21 ASN 8 HD21 ASN 8 -2.717 -6.388 9.512 53 HD22 ASN 8 HD22 ASN 8 -3.994 -7.215 8.758 54 H ARG 9 H ARG 9 -0.743 -2.168 8.285 55 HA ARG 9 HA ARG 9 -1.892 0.424 8.614 56 HB2 ARG 9 HB3 ARG 9 0.455 1.068 9.058 57 HB3 ARG 9 HB2 ARG 9 0.056 -0.458 9.843 58 HG2 ARG 9 HG3 ARG 9 1.254 -1.726 8.243 59 HG3 ARG 9 HG2 ARG 9 1.309 -0.385 7.099 60 HD2 ARG 9 HD3 ARG 9 2.753 -0.485 9.771 61 HD3 ARG 9 HD2 ARG 9 3.506 -0.618 8.170 62 HE ARG 9 HE ARG 9 2.084 1.710 7.939 63 HH11 ARG 9 HH11 ARG 9 4.271 0.462 10.306 64 HH12 ARG 9 HH12 ARG 9 4.845 2.023 10.784 65 HH21 ARG 9 HH21 ARG 9 2.821 3.750 8.561 66 HH22 ARG 9 HH22 ARG 9 4.026 3.883 9.799 67 H ALA 10 H ALA 10 -0.109 -1.039 5.938 68 HA ALA 10 HA ALA 10 0.288 1.437 4.468 69 HB1 ALA 10 HB1 ALA 10 1.340 -1.044 4.391 70 HB2 ALA 10 HB2 ALA 10 1.373 0.030 2.992 71 HB3 ALA 10 HB3 ALA 10 0.134 -1.220 3.115 72 H VAL 11 H VAL 11 -2.048 -1.258 4.260 73 HA VAL 11 HA VAL 11 -3.568 -0.084 2.092 74 HB VAL 11 HB VAL 11 -3.297 -2.531 3.337 75 HG11 VAL 11 HG11 VAL 11 -6.110 -1.580 3.940 76 HG12 VAL 11 HG12 VAL 11 -4.846 -1.737 5.159 77 HG13 VAL 11 HG13 VAL 11 -5.422 -3.164 4.298 78 HG21 VAL 11 HG21 VAL 11 -4.872 -1.345 1.190 79 HG22 VAL 11 HG22 VAL 11 -5.668 -2.753 1.896 80 HG23 VAL 11 HG23 VAL 11 -4.036 -2.896 1.243 81 H SER 12 H SER 12 -3.686 0.082 5.610 82 HA SER 12 HA SER 12 -6.306 1.139 5.976 83 HB2 SER 12 HB3 SER 12 -4.516 0.304 7.642 84 HB3 SER 12 HB2 SER 12 -3.845 1.929 7.542 85 HG SER 12 HG SER 12 -5.345 2.492 8.885 86 H MET 13 H MET 13 -3.195 2.885 5.594 87 HA MET 13 HA MET 13 -4.370 5.516 5.588 88 HB2 MET 13 HB3 MET 13 -2.125 6.145 4.746 89 HB3 MET 13 HB2 MET 13 -2.002 4.992 6.076 90 HG2 MET 13 HG3 MET 13 -1.686 3.152 4.504 91 HG3 MET 13 HG2 MET 13 -1.922 4.244 3.138 92 HE1 MET 13 HE1 MET 13 0.787 5.108 1.916 93 HE2 MET 13 HE2 MET 13 -0.280 3.709 2.004 94 HE3 MET 13 HE3 MET 13 1.427 3.533 2.405 95 H VAL 14 H VAL 14 -3.747 3.124 3.070 96 HA VAL 14 HA VAL 14 -4.173 4.900 0.822 97 HB VAL 14 HB VAL 14 -4.160 1.909 1.268 98 HG11 VAL 14 HG11 VAL 14 -5.683 2.373 -0.599 99 HG12 VAL 14 HG12 VAL 14 -4.174 1.690 -1.207 100 HG13 VAL 14 HG13 VAL 14 -4.476 3.422 -1.343 101 HG21 VAL 14 HG21 VAL 14 -2.234 3.002 -0.597 102 HG22 VAL 14 HG22 VAL 14 -1.943 2.126 0.906 103 HG23 VAL 14 HG23 VAL 14 -2.159 3.876 0.934 104 H GLU 15 H GLU 15 -6.250 2.392 2.336 105 HA GLU 15 HA GLU 15 -8.545 2.933 0.694 106 HB2 GLU 15 HB3 GLU 15 -9.684 1.584 2.469 107 HB3 GLU 15 HB2 GLU 15 -8.189 0.841 1.898 108 HG2 GLU 15 HG3 GLU 15 -7.537 0.766 4.056 109 HG3 GLU 15 HG2 GLU 15 -7.366 2.519 3.969 110 H LYS 16 H LYS 16 -7.376 4.373 3.705 111 HA LYS 16 HA LYS 16 -9.914 5.811 4.158 112 HB2 LYS 16 HB3 LYS 16 -8.890 6.443 6.198 113 HB3 LYS 16 HB2 LYS 16 -8.230 4.839 5.883 114 HG2 LYS 16 HG3 LYS 16 -6.179 5.781 5.010 115 HG3 LYS 16 HG2 LYS 16 -6.845 7.413 5.079 116 HD2 LYS 16 HD3 LYS 16 -5.371 7.012 7.004 117 HD3 LYS 16 HD2 LYS 16 -7.039 7.221 7.539 118 HE2 LYS 16 HE3 LYS 16 -7.290 4.715 7.553 119 HE3 LYS 16 HE2 LYS 16 -5.553 4.593 7.211 120 HZ1 LYS 16 HZ1 LYS 16 -6.345 6.417 9.342 121 HZ2 LYS 16 HZ2 LYS 16 -4.993 5.392 9.236 122 HZ3 LYS 16 HZ3 LYS 16 -6.507 4.761 9.679 123 H ASN 17 H ASN 17 -7.028 6.263 2.373 124 HA ASN 17 HA ASN 17 -6.551 9.035 2.474 125 HB2 ASN 17 HB3 ASN 17 -5.700 6.840 1.042 126 HB3 ASN 17 HB2 ASN 17 -6.490 7.804 -0.204 127 HD21 ASN 17 HD21 ASN 17 -5.278 9.516 -1.057 128 HD22 ASN 17 HD22 ASN 17 -3.870 10.147 -0.349 129 H LYS 18 H LYS 18 -8.222 10.526 2.381 130 HA LYS 18 HA LYS 18 -10.709 10.221 1.056 131 HB2 LYS 18 HB3 LYS 18 -10.741 12.729 1.269 132 HB3 LYS 18 HB2 LYS 18 -10.255 11.909 2.753 133 HG2 LYS 18 HG3 LYS 18 -7.938 12.383 2.364 134 HG3 LYS 18 HG2 LYS 18 -8.261 12.928 0.718 135 HD2 LYS 18 HD3 LYS 18 -9.745 14.329 2.877 136 HD3 LYS 18 HD2 LYS 18 -8.009 14.635 2.795 137 HE2 LYS 18 HE3 LYS 18 -8.358 16.047 1.062 138 HE3 LYS 18 HE2 LYS 18 -9.044 14.705 0.123 139 HZ1 LYS 18 HZ1 LYS 18 -11.055 15.096 1.723 140 HZ2 LYS 18 HZ2 LYS 18 -10.876 16.039 0.322 141 HZ3 LYS 18 HZ3 LYS 18 -10.410 16.660 1.833 142 H ASP 19 H ASP 19 -7.587 11.401 -0.144 143 HA ASP 19 HA ASP 19 -8.457 12.511 -2.622 144 HB2 ASP 19 HB3 ASP 19 -5.922 11.172 -1.653 145 HB3 ASP 19 HB2 ASP 19 -6.044 11.888 -3.261 146 H ILE 20 H ILE 20 -7.301 9.202 -1.863 147 HA ILE 20 HA ILE 20 -7.707 8.123 -4.485 148 HB ILE 20 HB ILE 20 -7.733 6.863 -1.722 149 HG12 ILE 20 HG13 ILE 20 -5.648 7.994 -2.089 150 HG13 ILE 20 HG12 ILE 20 -5.350 6.286 -2.417 151 HG21 ILE 20 HG21 ILE 20 -7.000 5.452 -4.276 152 HG22 ILE 20 HG22 ILE 20 -8.689 5.555 -3.779 153 HG23 ILE 20 HG23 ILE 20 -7.508 4.762 -2.736 154 HD11 ILE 20 HD11 ILE 20 -5.931 6.874 -4.878 155 HD12 ILE 20 HD12 ILE 20 -4.357 7.375 -4.258 156 HD13 ILE 20 HD13 ILE 20 -5.669 8.547 -4.385 157 H ARG 21 H ARG 21 -9.836 8.400 -1.645 158 HA ARG 21 HA ARG 21 -11.976 6.764 -2.464 159 HB2 ARG 21 HB3 ARG 21 -12.904 7.680 -0.596 160 HB3 ARG 21 HB2 ARG 21 -11.376 8.535 -0.422 161 HG2 ARG 21 HG3 ARG 21 -12.979 10.257 -0.299 162 HG3 ARG 21 HG2 ARG 21 -12.458 10.320 -1.982 163 HD2 ARG 21 HD3 ARG 21 -14.473 8.488 -2.161 164 HD3 ARG 21 HD2 ARG 21 -15.082 9.528 -0.859 165 HE ARG 21 HE ARG 21 -13.982 11.126 -2.991 166 HH11 ARG 21 HH11 ARG 21 -16.681 9.181 -2.068 167 HH12 ARG 21 HH12 ARG 21 -17.803 10.030 -3.077 168 HH21 ARG 21 HH21 ARG 21 -15.440 12.244 -4.308 169 HH22 ARG 21 HH22 ARG 21 -17.102 11.760 -4.342 170 H SER 22 H SER 22 -11.090 10.023 -3.517 171 HA SER 22 HA SER 22 -13.446 10.741 -4.935 172 HB2 SER 22 HB3 SER 22 -12.104 12.482 -5.607 173 HB3 SER 22 HB2 SER 22 -11.001 11.816 -4.406 174 HG SER 22 HG SER 22 -9.716 11.257 -5.965 175 H LEU 23 H LEU 23 -10.641 8.791 -5.890 176 HA LEU 23 HA LEU 23 -11.445 8.403 -8.643 177 HB2 LEU 23 HB3 LEU 23 -9.724 6.650 -6.857 178 HB3 LEU 23 HB2 LEU 23 -9.650 6.763 -8.614 179 HG LEU 23 HG LEU 23 -8.994 8.986 -6.658 180 HD11 LEU 23 HD11 LEU 23 -6.756 8.562 -7.073 181 HD12 LEU 23 HD12 LEU 23 -7.080 7.836 -8.649 182 HD13 LEU 23 HD13 LEU 23 -7.401 6.924 -7.173 183 HD21 LEU 23 HD21 LEU 23 -9.934 10.008 -8.601 184 HD22 LEU 23 HD22 LEU 23 -9.125 8.870 -9.678 185 HD23 LEU 23 HD23 LEU 23 -8.187 10.095 -8.824 186 H LEU 24 H LEU 24 -11.824 6.507 -5.652 187 HA LEU 24 HA LEU 24 -13.312 4.356 -6.962 188 HB2 LEU 24 HB3 LEU 24 -12.180 5.064 -4.350 189 HB3 LEU 24 HB2 LEU 24 -13.723 4.220 -4.216 190 HG LEU 24 HG LEU 24 -12.202 2.908 -6.239 191 HD11 LEU 24 HD11 LEU 24 -10.158 2.356 -5.173 192 HD12 LEU 24 HD12 LEU 24 -10.691 3.011 -3.626 193 HD13 LEU 24 HD13 LEU 24 -10.301 4.100 -4.957 194 HD21 LEU 24 HD21 LEU 24 -13.348 1.281 -5.176 195 HD22 LEU 24 HD22 LEU 24 -13.670 2.350 -3.811 196 HD23 LEU 24 HD23 LEU 24 -12.192 1.389 -3.850 197 H GLN 25 H GLN 25 -14.093 7.490 -5.863 198 HA GLN 25 HA GLN 25 -16.157 8.565 -5.422 199 HB2 GLN 25 HB3 GLN 25 -17.132 6.317 -7.211 200 HB3 GLN 25 HB2 GLN 25 -17.843 7.923 -7.043 201 HG2 GLN 25 HG3 GLN 25 -15.999 8.964 -8.119 202 HG3 GLN 25 HG2 GLN 25 -14.992 7.529 -7.964 203 HE21 GLN 25 HE21 GLN 25 -16.539 5.512 -8.920 204 HE22 GLN 25 HE22 GLN 25 -17.013 5.792 -10.525 205 H CYS 26 H CYS 26 -15.359 6.439 -3.547 206 HA CYS 26 HA CYS 26 -17.864 5.003 -2.897 207 HB2 CYS 26 HB3 CYS 26 -15.150 4.507 -2.673 208 HB3 CYS 26 HB2 CYS 26 -15.611 4.897 -1.017 209 HG CYS 26 HG CYS 26 -17.462 2.869 -2.408 210 H ASP 27 H ASP 27 -17.528 5.025 -0.055 211 HA ASP 27 HA ASP 27 -18.774 7.624 0.567 212 HB2 ASP 27 HB3 ASP 27 -18.551 4.896 1.694 213 HB3 ASP 27 HB2 ASP 27 -18.673 6.189 2.887 214 H ASP 28 H ASP 28 -18.056 8.753 2.616 215 HA ASP 28 HA ASP 28 -15.507 8.358 3.830 216 HB2 ASP 28 HB3 ASP 28 -15.251 9.074 1.207 217 HB3 ASP 28 HB2 ASP 28 -15.234 10.658 1.982 218 H GLY 29 H GLY 29 -16.976 9.022 5.572 219 HA2 GLY 29 HA3 GLY 29 -16.837 11.867 6.127 220 HA3 GLY 29 HA2 GLY 29 -18.485 11.341 5.784 221 H ILE 30 H ILE 30 -17.624 12.323 8.337 222 HA ILE 30 HA ILE 30 -16.929 10.367 10.253 223 HB ILE 30 HB ILE 30 -17.039 12.777 10.666 224 HG12 ILE 30 HG13 ILE 30 -18.153 12.744 12.833 225 HG13 ILE 30 HG12 ILE 30 -19.107 11.338 12.357 226 HG21 ILE 30 HG21 ILE 30 -19.168 12.961 9.183 227 HG22 ILE 30 HG22 ILE 30 -19.029 14.034 10.576 228 HG23 ILE 30 HG23 ILE 30 -20.048 12.597 10.668 229 HD11 ILE 30 HD11 ILE 30 -17.187 10.667 13.756 230 HD12 ILE 30 HD12 ILE 30 -16.084 11.413 12.599 231 HD13 ILE 30 HD13 ILE 30 -17.042 10.010 12.126 232 H THR 31 H THR 31 -19.930 10.822 8.518 233 HA THR 31 HA THR 31 -21.364 8.965 10.365 234 HB THR 31 HB THR 31 -22.348 11.164 9.717 235 HG1 THR 31 HG1 THR 31 -24.053 10.000 10.039 236 HG21 THR 31 HG21 THR 31 -21.651 10.132 7.055 237 HG22 THR 31 HG22 THR 31 -21.885 11.795 7.593 238 HG23 THR 31 HG23 THR 31 -23.277 10.806 7.157 239 H GLY 32 H GLY 32 -19.518 8.821 7.571 240 HA2 GLY 32 HA3 GLY 32 -20.328 6.098 7.006 241 HA3 GLY 32 HA2 GLY 32 -20.868 7.206 5.746 242 H LYS 33 H LYS 33 -18.318 5.285 6.728 243 HA LYS 33 HA LYS 33 -16.374 6.841 5.051 244 HB2 LYS 33 HB3 LYS 33 -16.029 4.992 7.429 245 HB3 LYS 33 HB2 LYS 33 -14.677 5.593 6.469 246 HG2 LYS 33 HG3 LYS 33 -14.683 7.481 7.690 247 HG3 LYS 33 HG2 LYS 33 -16.304 7.835 7.091 248 HD2 LYS 33 HD3 LYS 33 -16.921 7.665 9.269 249 HD3 LYS 33 HD2 LYS 33 -16.823 5.925 8.992 250 HE2 LYS 33 HE3 LYS 33 -14.177 6.953 9.524 251 HE3 LYS 33 HE2 LYS 33 -15.283 7.438 10.825 252 HZ1 LYS 33 HZ1 LYS 33 -14.990 4.694 9.716 253 HZ2 LYS 33 HZ2 LYS 33 -16.103 5.154 10.914 254 HZ3 LYS 33 HZ3 LYS 33 -14.435 5.215 11.232 255 H GLU 34 H GLU 34 -15.239 5.684 3.451 256 HA GLU 34 HA GLU 34 -16.480 3.228 2.477 257 HB2 GLU 34 HB3 GLU 34 -15.758 4.769 0.845 258 HB3 GLU 34 HB2 GLU 34 -14.230 5.064 1.672 259 HG2 GLU 34 HG3 GLU 34 -14.545 2.257 0.940 260 HG3 GLU 34 HG2 GLU 34 -14.620 3.320 -0.466 261 H ARG 35 H ARG 35 -15.751 1.155 2.807 262 HA ARG 35 HA ARG 35 -13.159 0.806 4.278 263 HB2 ARG 35 HB3 ARG 35 -15.062 0.180 5.618 264 HB3 ARG 35 HB2 ARG 35 -15.782 -0.715 4.279 265 HG2 ARG 35 HG3 ARG 35 -13.080 -1.638 4.847 266 HG3 ARG 35 HG2 ARG 35 -14.119 -1.766 6.267 267 HD2 ARG 35 HD3 ARG 35 -15.830 -2.941 4.841 268 HD3 ARG 35 HD2 ARG 35 -14.649 -2.943 3.517 269 HE ARG 35 HE ARG 35 -13.462 -4.628 4.668 270 HH11 ARG 35 HH11 ARG 35 -15.575 -2.886 6.774 271 HH12 ARG 35 HH12 ARG 35 -15.256 -3.901 8.141 272 HH21 ARG 35 HH21 ARG 35 -13.046 -5.959 6.442 273 HH22 ARG 35 HH22 ARG 35 -13.829 -5.638 7.953 274 H LEU 36 H LEU 36 -11.615 -0.012 2.913 275 HA LEU 36 HA LEU 36 -12.491 -1.779 0.661 276 HB2 LEU 36 HB3 LEU 36 -9.889 -0.278 1.059 277 HB3 LEU 36 HB2 LEU 36 -10.487 -0.992 -0.439 278 HG LEU 36 HG LEU 36 -11.965 1.186 1.053 279 HD11 LEU 36 HD11 LEU 36 -10.345 2.585 0.333 280 HD12 LEU 36 HD12 LEU 36 -10.931 2.261 -1.299 281 HD13 LEU 36 HD13 LEU 36 -9.592 1.322 -0.640 282 HD21 LEU 36 HD21 LEU 36 -13.564 0.752 -0.474 283 HD22 LEU 36 HD22 LEU 36 -12.568 -0.530 -1.164 284 HD23 LEU 36 HD23 LEU 36 -12.419 1.123 -1.764 285 H LYS 37 H LYS 37 -11.485 -3.793 0.390 286 HA LYS 37 HA LYS 37 -9.774 -4.714 2.677 287 HB2 LYS 37 HB3 LYS 37 -11.497 -6.388 0.833 288 HB3 LYS 37 HB2 LYS 37 -10.847 -6.839 2.410 289 HG2 LYS 37 HG3 LYS 37 -12.224 -4.758 3.250 290 HG3 LYS 37 HG2 LYS 37 -13.135 -5.005 1.760 291 HD2 LYS 37 HD3 LYS 37 -12.939 -7.570 2.736 292 HD3 LYS 37 HD2 LYS 37 -13.092 -6.624 4.217 293 HE2 LYS 37 HE3 LYS 37 -14.989 -5.440 2.611 294 HE3 LYS 37 HE2 LYS 37 -15.102 -7.143 2.126 295 HZ1 LYS 37 HZ1 LYS 37 -14.901 -7.560 4.655 296 HZ2 LYS 37 HZ2 LYS 37 -16.405 -7.102 4.013 297 HZ3 LYS 37 HZ3 LYS 37 -15.430 -5.955 4.802 298 H ALA 38 H ALA 38 -7.731 -5.408 2.131 299 HA ALA 38 HA ALA 38 -7.178 -5.976 -0.766 300 HB1 ALA 38 HB1 ALA 38 -5.398 -4.699 1.335 301 HB2 ALA 38 HB2 ALA 38 -6.289 -3.815 0.097 302 HB3 ALA 38 HB3 ALA 38 -4.995 -4.920 -0.367 303 H TYR 39 H TYR 39 -5.433 -7.558 -1.119 304 HA TYR 39 HA TYR 39 -4.861 -9.304 1.247 305 HB2 TYR 39 HB3 TYR 39 -5.549 -10.305 -1.524 306 HB3 TYR 39 HB2 TYR 39 -5.519 -11.222 -0.018 307 HD1 TYR 39 HD1 TYR 39 -7.175 -10.555 1.831 308 HD2 TYR 39 HD2 TYR 39 -7.525 -9.238 -2.241 309 HE1 TYR 39 HE1 TYR 39 -9.563 -10.001 2.216 310 HE2 TYR 39 HE2 TYR 39 -9.910 -8.685 -1.860 311 HH TYR 39 HH TYR 39 -11.327 -8.782 1.345 312 H GLY 40 H GLY 40 -2.911 -10.626 0.954 313 HA2 GLY 40 HA3 GLY 40 -0.856 -9.207 -0.582 314 HA3 GLY 40 HA2 GLY 40 -0.587 -10.593 0.474 315 H GLU 41 H GLU 41 0.085 -12.360 -0.615 316 HA GLU 41 HA GLU 41 -0.009 -12.601 -3.476 317 HB2 GLU 41 HB3 GLU 41 0.454 -14.590 -1.232 318 HB3 GLU 41 HB2 GLU 41 0.796 -14.917 -2.932 319 HG2 GLU 41 HG3 GLU 41 2.486 -13.248 -3.024 320 HG3 GLU 41 HG2 GLU 41 1.966 -12.528 -1.500 321 H LEU 42 H LEU 42 -0.967 -14.817 -4.384 322 HA LEU 42 HA LEU 42 -3.383 -15.873 -3.229 323 HB2 LEU 42 HB3 LEU 42 -4.011 -13.482 -3.720 324 HB3 LEU 42 HB2 LEU 42 -3.725 -13.810 -5.429 325 HG LEU 42 HG LEU 42 -5.377 -15.765 -5.151 326 HD11 LEU 42 HD11 LEU 42 -6.629 -15.956 -3.237 327 HD12 LEU 42 HD12 LEU 42 -6.581 -14.225 -2.906 328 HD13 LEU 42 HD13 LEU 42 -5.191 -15.237 -2.515 329 HD21 LEU 42 HD21 LEU 42 -6.227 -12.864 -4.916 330 HD22 LEU 42 HD22 LEU 42 -7.347 -14.172 -5.300 331 HD23 LEU 42 HD23 LEU 42 -6.015 -13.799 -6.397 332 H ILE 43 H ILE 43 -3.597 -17.838 -4.222 333 HA ILE 43 HA ILE 43 -2.099 -18.470 -6.646 334 HB ILE 43 HB ILE 43 -3.174 -20.708 -6.232 335 HG12 ILE 43 HG13 ILE 43 -4.271 -20.246 -3.667 336 HG13 ILE 43 HG12 ILE 43 -4.967 -19.013 -4.720 337 HG21 ILE 43 HG21 ILE 43 -2.035 -21.099 -4.106 338 HG22 ILE 43 HG22 ILE 43 -2.049 -19.371 -3.751 339 HG23 ILE 43 HG23 ILE 43 -1.073 -19.990 -5.084 340 HD11 ILE 43 HD11 ILE 43 -5.661 -20.739 -6.320 341 HD12 ILE 43 HD12 ILE 43 -6.322 -21.090 -4.723 342 HD13 ILE 43 HD13 ILE 43 -4.923 -21.986 -5.315 343 H THR 44 H THR 44 -3.694 -20.076 -8.143 344 HA THR 44 HA THR 44 -6.028 -18.371 -8.939 345 HB THR 44 HB THR 44 -4.219 -17.907 -10.443 346 HG1 THR 44 HG1 THR 44 -5.514 -18.183 -12.048 347 HG21 THR 44 HG21 THR 44 -3.484 -20.279 -11.665 348 HG22 THR 44 HG22 THR 44 -3.624 -20.732 -9.967 349 HG23 THR 44 HG23 THR 44 -2.543 -19.424 -10.444 350 H ASN 45 H ASN 45 -7.348 -19.962 -7.798 351 HA ASN 45 HA ASN 45 -7.941 -22.330 -9.487 352 HB2 ASN 45 HB3 ASN 45 -6.196 -22.683 -7.532 353 HB3 ASN 45 HB2 ASN 45 -7.642 -22.702 -6.523 354 HD21 ASN 45 HD21 ASN 45 -5.690 -24.621 -8.600 355 HD22 ASN 45 HD22 ASN 45 -6.746 -25.943 -8.744 356 H ASP 46 H ASP 46 -9.527 -23.390 -7.137 357 HA ASP 46 HA ASP 46 -11.832 -21.491 -7.378 358 HB2 ASP 46 HB3 ASP 46 -11.569 -24.482 -6.986 359 HB3 ASP 46 HB2 ASP 46 -13.108 -23.637 -6.823 360 H LYS 47 H LYS 47 -13.413 -22.039 -5.355 361 HA LYS 47 HA LYS 47 -13.735 -21.713 -3.036 362 HB2 LYS 47 HB3 LYS 47 -11.115 -23.247 -2.961 363 HB3 LYS 47 HB2 LYS 47 -12.305 -23.147 -1.663 364 HG2 LYS 47 HG3 LYS 47 -13.431 -24.880 -2.544 365 HG3 LYS 47 HG2 LYS 47 -13.648 -23.983 -4.048 366 HD2 LYS 47 HD3 LYS 47 -12.255 -25.435 -5.056 367 HD3 LYS 47 HD2 LYS 47 -10.953 -24.832 -4.029 368 HE2 LYS 47 HE3 LYS 47 -10.868 -26.932 -3.155 369 HE3 LYS 47 HE2 LYS 47 -12.403 -26.544 -2.351 370 HZ1 LYS 47 HZ1 LYS 47 -13.035 -28.326 -3.621 371 HZ2 LYS 47 HZ2 LYS 47 -11.937 -27.981 -4.870 372 HZ3 LYS 47 HZ3 LYS 47 -13.359 -27.064 -4.707 373 H TRP 48 H TRP 48 -12.106 -21.118 -0.960 374 HA TRP 48 HA TRP 48 -10.025 -19.187 -1.733 375 HB2 TRP 48 HB3 TRP 48 -11.417 -17.378 -0.446 376 HB3 TRP 48 HB2 TRP 48 -11.839 -17.739 -2.118 377 HD1 TRP 48 HD1 TRP 48 -13.924 -19.481 -2.477 378 HE1 TRP 48 HE1 TRP 48 -16.048 -19.811 -1.053 379 HE3 TRP 48 HE3 TRP 48 -12.417 -17.283 1.879 380 HZ2 TRP 48 HZ2 TRP 48 -16.984 -19.220 1.584 381 HZ3 TRP 48 HZ3 TRP 48 -13.943 -17.179 3.828 382 HH2 TRP 48 HH2 TRP 48 -16.222 -18.143 3.687 383 H THR 49 H THR 49 -12.213 -20.212 0.910 384 HA THR 49 HA THR 49 -11.755 -20.485 3.226 385 HB THR 49 HB THR 49 -10.135 -22.184 3.502 386 HG1 THR 49 HG1 THR 49 -8.318 -22.317 2.166 387 HG21 THR 49 HG21 THR 49 -10.697 -23.677 1.848 388 HG22 THR 49 HG22 THR 49 -10.361 -22.528 0.552 389 HG23 THR 49 HG23 THR 49 -11.865 -22.413 1.467 390 H ARG 50 H ARG 50 -9.144 -20.512 4.461 391 HA ARG 50 HA ARG 50 -8.783 -17.773 5.124 392 HB2 ARG 50 HB3 ARG 50 -7.829 -20.299 5.880 393 HB3 ARG 50 HB2 ARG 50 -6.385 -19.414 5.384 394 HG2 ARG 50 HG3 ARG 50 -7.245 -17.487 6.835 395 HG3 ARG 50 HG2 ARG 50 -8.400 -18.643 7.502 396 HD2 ARG 50 HD3 ARG 50 -6.793 -19.382 8.914 397 HD3 ARG 50 HD2 ARG 50 -5.831 -19.899 7.514 398 HE ARG 50 HE ARG 50 -5.700 -17.022 7.963 399 HH11 ARG 50 HH11 ARG 50 -4.450 -20.130 8.808 400 HH12 ARG 50 HH12 ARG 50 -2.916 -19.515 9.323 401 HH21 ARG 50 HH21 ARG 50 -3.712 -16.209 8.655 402 HH22 ARG 50 HH22 ARG 50 -2.498 -17.299 9.236 403 H ASN 51 H ASN 51 -7.102 -16.286 4.488 404 HA ASN 51 HA ASN 51 -6.325 -16.482 1.670 405 HB2 ASN 51 HB3 ASN 51 -6.418 -14.514 3.863 406 HB3 ASN 51 HB2 ASN 51 -5.064 -14.288 2.757 407 HD21 ASN 51 HD21 ASN 51 -7.338 -12.476 2.915 408 HD22 ASN 51 HD22 ASN 51 -8.143 -12.543 1.422 409 H ARG 52 H ARG 52 -3.981 -16.025 1.072 410 HA ARG 52 HA ARG 52 -2.227 -17.964 2.352 411 HB2 ARG 52 HB3 ARG 52 -1.771 -15.824 0.244 412 HB3 ARG 52 HB2 ARG 52 -0.657 -17.142 0.606 413 HG2 ARG 52 HG3 ARG 52 -3.527 -17.730 -0.089 414 HG3 ARG 52 HG2 ARG 52 -2.342 -17.440 -1.364 415 HD2 ARG 52 HD3 ARG 52 -1.805 -19.643 -1.169 416 HD3 ARG 52 HD2 ARG 52 -1.053 -19.217 0.382 417 HE ARG 52 HE ARG 52 -3.783 -19.416 0.937 418 HH11 ARG 52 HH11 ARG 52 -1.297 -21.422 -0.377 419 HH12 ARG 52 HH12 ARG 52 -2.005 -22.894 0.194 420 HH21 ARG 52 HH21 ARG 52 -4.724 -21.333 1.672 421 HH22 ARG 52 HH22 ARG 52 -3.942 -22.844 1.353 422 HA PRO 53 HA PRO 53 -0.228 -15.418 5.306 423 HB2 PRO 53 HB3 PRO 53 2.375 -16.320 5.052 424 HB3 PRO 53 HB2 PRO 53 1.105 -17.187 5.936 425 HG2 PRO 53 HG3 PRO 53 2.153 -17.645 3.195 426 HG3 PRO 53 HG2 PRO 53 1.636 -18.817 4.417 427 HD2 PRO 53 HD3 PRO 53 0.102 -18.156 2.287 428 HD3 PRO 53 HD2 PRO 53 -0.587 -18.620 3.860 429 H ILE 54 H ILE 54 1.358 -13.653 5.467 430 HA ILE 54 HA ILE 54 1.905 -12.405 2.812 431 HB ILE 54 HB ILE 54 1.675 -11.394 5.661 432 HG12 ILE 54 HG13 ILE 54 -0.459 -11.832 4.593 433 HG13 ILE 54 HG12 ILE 54 -0.208 -10.086 4.604 434 HG21 ILE 54 HG21 ILE 54 3.471 -10.244 4.208 435 HG22 ILE 54 HG22 ILE 54 2.234 -9.209 4.921 436 HG23 ILE 54 HG23 ILE 54 2.127 -9.669 3.222 437 HD11 ILE 54 HD11 ILE 54 0.978 -10.724 2.249 438 HD12 ILE 54 HD12 ILE 54 -0.721 -10.270 2.388 439 HD13 ILE 54 HD13 ILE 54 -0.266 -11.973 2.320 440 H VAL 55 H VAL 55 4.014 -12.061 2.156 441 HA VAL 55 HA VAL 55 6.190 -12.630 4.144 442 HB VAL 55 HB VAL 55 5.710 -14.427 2.440 443 HG11 VAL 55 HG11 VAL 55 6.987 -12.766 0.331 444 HG12 VAL 55 HG12 VAL 55 5.306 -12.393 0.707 445 HG13 VAL 55 HG13 VAL 55 5.753 -14.017 0.184 446 HG21 VAL 55 HG21 VAL 55 8.167 -14.403 1.546 447 HG22 VAL 55 HG22 VAL 55 7.901 -14.508 3.286 448 HG23 VAL 55 HG23 VAL 55 8.343 -12.966 2.552 449 H SER 56 H SER 56 8.144 -11.394 3.827 450 HA SER 56 HA SER 56 7.796 -8.976 2.081 451 HB2 SER 56 HB3 SER 56 9.401 -8.046 3.952 452 HB3 SER 56 HB2 SER 56 7.679 -8.205 4.288 453 HG SER 56 HG SER 56 8.199 -9.572 5.783 454 H THR 57 H THR 57 9.649 -8.267 0.943 455 HA THR 57 HA THR 57 11.791 -10.318 0.676 456 HB THR 57 HB THR 57 12.168 -9.200 -1.484 457 HG1 THR 57 HG1 THR 57 10.939 -7.398 -2.012 458 HG21 THR 57 HG21 THR 57 10.021 -9.686 -2.518 459 HG22 THR 57 HG22 THR 57 9.204 -9.545 -0.961 460 HG23 THR 57 HG23 THR 57 10.326 -10.874 -1.252 461 H LYS 58 H LYS 58 13.911 -9.819 1.247 462 HA LYS 58 HA LYS 58 14.471 -6.982 2.058 463 HB2 LYS 58 HB3 LYS 58 15.898 -8.073 3.846 464 HB3 LYS 58 HB2 LYS 58 14.165 -8.358 4.018 465 HG2 LYS 58 HG3 LYS 58 14.440 -10.582 3.794 466 HG3 LYS 58 HG2 LYS 58 15.362 -10.367 2.306 467 HD2 LYS 58 HD3 LYS 58 16.743 -9.679 4.854 468 HD3 LYS 58 HD2 LYS 58 16.464 -11.391 4.532 469 HE2 LYS 58 HE3 LYS 58 17.409 -10.789 2.134 470 HE3 LYS 58 HE2 LYS 58 18.154 -9.433 3.006 471 HZ1 LYS 58 HZ1 LYS 58 19.086 -10.944 4.591 472 HZ2 LYS 58 HZ2 LYS 58 19.524 -11.480 3.039 473 HZ3 LYS 58 HZ3 LYS 58 18.282 -12.265 3.893 474 H LYS 59 H LYS 59 16.155 -6.133 0.931 475 HA LYS 59 HA LYS 59 18.300 -7.976 -0.070 476 HB2 LYS 59 HB3 LYS 59 16.589 -5.935 -1.447 477 HB3 LYS 59 HB2 LYS 59 18.249 -6.144 -2.005 478 HG2 LYS 59 HG3 LYS 59 17.885 -8.318 -2.721 479 HG3 LYS 59 HG2 LYS 59 16.579 -8.589 -1.566 480 HD2 LYS 59 HD3 LYS 59 15.821 -6.451 -3.322 481 HD3 LYS 59 HD2 LYS 59 16.354 -7.823 -4.295 482 HE2 LYS 59 HE3 LYS 59 14.850 -9.135 -2.455 483 HE3 LYS 59 HE2 LYS 59 13.986 -7.586 -2.516 484 HZ1 LYS 59 HZ1 LYS 59 14.897 -8.848 -5.013 485 HZ2 LYS 59 HZ2 LYS 59 13.606 -7.773 -4.763 486 HZ3 LYS 59 HZ3 LYS 59 13.469 -9.397 -4.283 487 H LEU 60 H LEU 60 20.267 -7.303 0.729 488 HA LEU 60 HA LEU 60 20.532 -4.425 1.525 489 HB2 LEU 60 HB3 LEU 60 22.146 -5.330 3.204 490 HB3 LEU 60 HB2 LEU 60 20.527 -6.003 3.393 491 HG LEU 60 HG LEU 60 22.198 -7.527 1.525 492 HD11 LEU 60 HD11 LEU 60 23.822 -6.636 3.336 493 HD12 LEU 60 HD12 LEU 60 23.790 -8.378 3.052 494 HD13 LEU 60 HD13 LEU 60 22.947 -7.694 4.443 495 HD21 LEU 60 HD21 LEU 60 20.455 -8.844 2.142 496 HD22 LEU 60 HD22 LEU 60 20.157 -7.905 3.606 497 HD23 LEU 60 HD23 LEU 60 21.392 -9.164 3.602 498 H ASP 61 H ASP 61 22.390 -3.320 0.871 499 HA ASP 61 HA ASP 61 23.999 -4.617 -1.264 500 HB2 ASP 61 HB3 ASP 61 22.794 -2.152 -0.943 501 HB3 ASP 61 HB2 ASP 61 24.480 -1.800 -0.562 502 H LYS 62 H LYS 62 26.347 -3.127 -1.035 503 HA LYS 62 HA LYS 62 27.788 -4.568 1.013 504 HB2 LYS 62 HB3 LYS 62 29.669 -3.224 0.148 505 HB3 LYS 62 HB2 LYS 62 28.690 -3.843 -1.181 506 HG2 LYS 62 HG3 LYS 62 27.534 -1.373 -0.403 507 HG3 LYS 62 HG2 LYS 62 29.274 -1.107 -0.511 508 HD2 LYS 62 HD3 LYS 62 28.383 -2.745 -2.720 509 HD3 LYS 62 HD2 LYS 62 27.443 -1.254 -2.652 510 HE2 LYS 62 HE3 LYS 62 29.199 -0.165 -3.580 511 HE3 LYS 62 HE2 LYS 62 30.156 -0.547 -2.135 512 HZ1 LYS 62 HZ1 LYS 62 30.846 -1.488 -4.468 513 HZ2 LYS 62 HZ2 LYS 62 29.676 -2.667 -4.105 514 HZ3 LYS 62 HZ3 LYS 62 31.004 -2.437 -3.070 515 H GLU 63 H GLU 63 26.012 -1.611 1.049 516 HA GLU 63 HA GLU 63 27.540 -0.387 3.248 517 HB2 GLU 63 HB3 GLU 63 25.134 0.225 1.565 518 HB3 GLU 63 HB2 GLU 63 25.358 1.112 3.073 519 HG2 GLU 63 HG3 GLU 63 27.797 0.882 1.434 520 HG3 GLU 63 HG2 GLU 63 26.502 1.816 0.683 521 H GLY 64 H GLY 64 25.093 -2.754 2.974 522 HA2 GLY 64 HA3 GLY 64 24.182 -3.984 4.815 523 HA3 GLY 64 HA2 GLY 64 24.678 -2.682 5.898 524 H ARG 65 H ARG 65 23.230 -1.249 3.275 525 HA ARG 65 HA ARG 65 20.870 -0.486 4.786 526 HB2 ARG 65 HB3 ARG 65 22.369 0.437 2.631 527 HB3 ARG 65 HB2 ARG 65 20.843 -0.044 1.887 528 HG2 ARG 65 HG3 ARG 65 20.400 2.164 2.527 529 HG3 ARG 65 HG2 ARG 65 19.760 1.249 3.892 530 HD2 ARG 65 HD3 ARG 65 21.121 2.494 5.216 531 HD3 ARG 65 HD2 ARG 65 22.487 1.623 4.488 532 HE ARG 65 HE ARG 65 22.913 3.523 3.144 533 HH11 ARG 65 HH11 ARG 65 19.740 3.593 4.507 534 HH12 ARG 65 HH12 ARG 65 19.391 5.190 3.936 535 HH21 ARG 65 HH21 ARG 65 22.467 5.605 2.394 536 HH22 ARG 65 HH22 ARG 65 20.932 6.328 2.743 537 H THR 66 H THR 66 19.049 -1.743 4.957 538 HA THR 66 HA THR 66 18.593 -3.889 2.938 539 HB THR 66 HB THR 66 17.409 -3.314 5.675 540 HG1 THR 66 HG1 THR 66 19.282 -4.109 6.197 541 HG21 THR 66 HG21 THR 66 16.068 -5.147 5.446 542 HG22 THR 66 HG22 THR 66 17.238 -6.004 4.443 543 HG23 THR 66 HG23 THR 66 16.206 -4.765 3.730 544 H HIS 67 H HIS 67 17.033 -3.585 1.406 545 HA HIS 67 HA HIS 67 15.049 -1.381 1.806 546 HB2 HIS 67 HB3 HIS 67 15.922 -2.876 -0.690 547 HB3 HIS 67 HB2 HIS 67 14.921 -1.427 -0.642 548 HD1 HIS 67 HD1 HIS 67 18.156 -2.149 -1.548 549 HD2 HIS 67 HD2 HIS 67 16.635 0.537 1.254 550 HE1 HIS 67 HE1 HIS 67 19.960 -0.414 -1.168 551 H HIS 68 H HIS 68 12.823 -1.857 1.655 552 HA HIS 68 HA HIS 68 12.132 -4.772 1.457 553 HB2 HIS 68 HB3 HIS 68 11.431 -2.560 3.304 554 HB3 HIS 68 HB2 HIS 68 10.103 -3.637 2.869 555 HD1 HIS 68 HD1 HIS 68 10.376 -4.326 5.515 556 HD2 HIS 68 HD2 HIS 68 13.405 -5.567 2.934 557 HE1 HIS 68 HE1 HIS 68 11.623 -6.177 6.711 558 H TYR 69 H TYR 69 10.537 -5.325 0.012 559 HA TYR 69 HA TYR 69 9.049 -3.104 -1.357 560 HB2 TYR 69 HB3 TYR 69 9.931 -5.736 -2.573 561 HB3 TYR 69 HB2 TYR 69 9.380 -4.289 -3.417 562 HD1 TYR 69 HD1 TYR 69 12.131 -5.695 -1.346 563 HD2 TYR 69 HD2 TYR 69 10.873 -2.502 -3.929 564 HE1 TYR 69 HE1 TYR 69 14.467 -4.866 -1.462 565 HE2 TYR 69 HE2 TYR 69 13.206 -1.673 -4.043 566 HH TYR 69 HH TYR 69 15.267 -1.866 -3.189 567 H MET 70 H MET 70 6.879 -3.311 -0.917 568 HA MET 70 HA MET 70 5.764 -6.083 -0.639 569 HB2 MET 70 HB3 MET 70 6.115 -4.120 1.337 570 HB3 MET 70 HB2 MET 70 4.398 -4.056 0.937 571 HG2 MET 70 HG3 MET 70 3.994 -6.165 1.736 572 HG3 MET 70 HG2 MET 70 5.570 -6.770 1.226 573 HE1 MET 70 HE1 MET 70 4.147 -7.579 3.413 574 HE2 MET 70 HE2 MET 70 3.913 -6.523 4.804 575 HE3 MET 70 HE3 MET 70 5.270 -7.646 4.778 576 H ARG 71 H ARG 71 3.798 -6.402 -1.673 577 HA ARG 71 HA ARG 71 2.262 -4.060 -2.665 578 HB2 ARG 71 HB3 ARG 71 2.318 -5.187 -4.968 579 HB3 ARG 71 HB2 ARG 71 3.826 -4.434 -4.444 580 HG2 ARG 71 HG3 ARG 71 4.836 -6.494 -3.960 581 HG3 ARG 71 HG2 ARG 71 3.287 -7.329 -3.827 582 HD2 ARG 71 HD3 ARG 71 3.028 -7.502 -6.144 583 HD3 ARG 71 HD2 ARG 71 4.085 -6.110 -6.463 584 HE ARG 71 HE ARG 71 4.978 -8.849 -6.046 585 HH11 ARG 71 HH11 ARG 71 5.707 -5.498 -5.633 586 HH12 ARG 71 HH12 ARG 71 7.420 -5.740 -5.617 587 HH21 ARG 71 HH21 ARG 71 7.215 -9.178 -6.014 588 HH22 ARG 71 HH22 ARG 71 8.274 -7.820 -5.832 589 H PHE 72 H PHE 72 0.057 -4.561 -2.887 590 HA PHE 72 HA PHE 72 -0.781 -7.415 -2.765 591 HB2 PHE 72 HB3 PHE 72 -2.372 -6.636 -0.866 592 HB3 PHE 72 HB2 PHE 72 -0.677 -6.895 -0.457 593 HD1 PHE 72 HD1 PHE 72 0.794 -5.046 0.071 594 HD2 PHE 72 HD2 PHE 72 -3.271 -4.347 -1.129 595 HE1 PHE 72 HE1 PHE 72 0.981 -2.686 0.812 596 HE2 PHE 72 HE2 PHE 72 -3.083 -1.988 -0.388 597 HZ PHE 72 HZ PHE 72 -0.957 -1.157 0.582 598 H HIS 73 H HIS 73 -3.245 -7.536 -3.009 599 HA HIS 73 HA HIS 73 -4.105 -5.502 -5.016 600 HB2 HIS 73 HB3 HIS 73 -4.958 -8.320 -4.294 601 HB3 HIS 73 HB2 HIS 73 -5.829 -7.333 -5.470 602 HD1 HIS 73 HD1 HIS 73 -5.146 -8.808 -7.487 603 HD2 HIS 73 HD2 HIS 73 -1.899 -7.238 -5.397 604 HE1 HIS 73 HE1 HIS 73 -3.105 -9.209 -8.930 605 H VAL 74 H VAL 74 -6.078 -4.390 -4.767 606 HA VAL 74 HA VAL 74 -7.454 -4.716 -2.118 607 HB VAL 74 HB VAL 74 -7.127 -2.146 -3.687 608 HG11 VAL 74 HG11 VAL 74 -8.769 -2.725 -1.607 609 HG12 VAL 74 HG12 VAL 74 -8.073 -1.126 -1.870 610 HG13 VAL 74 HG13 VAL 74 -7.321 -2.237 -0.726 611 HG21 VAL 74 HG21 VAL 74 -5.348 -3.265 -1.495 612 HG22 VAL 74 HG22 VAL 74 -5.241 -1.633 -2.153 613 HG23 VAL 74 HG23 VAL 74 -4.885 -3.021 -3.179 614 H GLU 75 H GLU 75 -9.641 -5.099 -2.331 615 HA GLU 75 HA GLU 75 -10.872 -4.561 -5.016 616 HB2 GLU 75 HB3 GLU 75 -10.460 -6.949 -3.771 617 HB3 GLU 75 HB2 GLU 75 -12.072 -6.548 -3.176 618 HG2 GLU 75 HG3 GLU 75 -12.415 -5.921 -5.772 619 HG3 GLU 75 HG2 GLU 75 -11.178 -7.167 -5.946 620 H SER 76 H SER 76 -12.355 -2.941 -4.919 621 HA SER 76 HA SER 76 -13.851 -2.522 -2.351 622 HB2 SER 76 HB3 SER 76 -13.415 -0.468 -4.517 623 HB3 SER 76 HB2 SER 76 -13.743 -0.206 -2.806 624 HG SER 76 HG SER 76 -11.372 -0.757 -4.119 625 H LYS 77 H LYS 77 -16.092 -1.601 -2.730 626 HA LYS 77 HA LYS 77 -17.603 -3.224 -4.552 627 HB2 LYS 77 HB3 LYS 77 -18.022 -0.998 -2.633 628 HB3 LYS 77 HB2 LYS 77 -19.264 -1.173 -3.873 629 HG2 LYS 77 HG3 LYS 77 -18.603 -3.781 -2.902 630 HG3 LYS 77 HG2 LYS 77 -18.910 -2.739 -1.513 631 HD2 LYS 77 HD3 LYS 77 -20.816 -2.397 -3.741 632 HD3 LYS 77 HD2 LYS 77 -20.871 -3.981 -2.968 633 HE2 LYS 77 HE3 LYS 77 -22.291 -2.861 -1.525 634 HE3 LYS 77 HE2 LYS 77 -20.757 -2.402 -0.759 635 HZ1 LYS 77 HZ1 LYS 77 -22.369 -0.543 -1.475 636 HZ2 LYS 77 HZ2 LYS 77 -21.809 -0.865 -3.047 637 HZ3 LYS 77 HZ3 LYS 77 -20.721 -0.370 -1.838 638 H LYS 78 H LYS 78 -15.816 -0.333 -5.042 639 HA LYS 78 HA LYS 78 -17.447 0.495 -7.388 640 HB2 LYS 78 HB3 LYS 78 -14.984 1.678 -6.064 641 HB3 LYS 78 HB2 LYS 78 -15.963 2.468 -7.301 642 HG2 LYS 78 HG3 LYS 78 -17.493 1.470 -4.981 643 HG3 LYS 78 HG2 LYS 78 -16.355 2.765 -4.606 644 HD2 LYS 78 HD3 LYS 78 -18.226 3.999 -5.231 645 HD3 LYS 78 HD2 LYS 78 -17.382 3.874 -6.775 646 HE2 LYS 78 HE3 LYS 78 -19.146 2.774 -7.669 647 HE3 LYS 78 HE2 LYS 78 -19.031 1.533 -6.405 648 HZ1 LYS 78 HZ1 LYS 78 -20.355 2.773 -4.958 649 HZ2 LYS 78 HZ2 LYS 78 -21.139 2.943 -6.456 650 HZ3 LYS 78 HZ3 LYS 78 -20.174 4.204 -5.852 651 H LYS 79 H LYS 79 -14.321 -0.942 -6.573 652 HA LYS 79 HA LYS 79 -13.920 -2.145 -9.125 653 HB2 LYS 79 HB3 LYS 79 -12.106 -0.516 -9.905 654 HB3 LYS 79 HB2 LYS 79 -13.759 0.090 -10.006 655 HG2 LYS 79 HG3 LYS 79 -13.469 1.221 -7.822 656 HG3 LYS 79 HG2 LYS 79 -11.808 0.633 -7.748 657 HD2 LYS 79 HD3 LYS 79 -11.384 2.681 -8.696 658 HD3 LYS 79 HD2 LYS 79 -11.731 1.785 -10.176 659 HE2 LYS 79 HE3 LYS 79 -14.064 2.545 -10.132 660 HE3 LYS 79 HE2 LYS 79 -13.777 3.388 -8.596 661 HZ1 LYS 79 HZ1 LYS 79 -13.426 4.526 -10.993 662 HZ2 LYS 79 HZ2 LYS 79 -11.859 3.940 -10.699 663 HZ3 LYS 79 HZ3 LYS 79 -12.593 5.001 -9.595 664 H ILE 80 H ILE 80 -11.562 -2.874 -9.370 665 HA ILE 80 HA ILE 80 -10.431 -3.434 -6.667 666 HB ILE 80 HB ILE 80 -9.694 -4.612 -9.361 667 HG12 ILE 80 HG13 ILE 80 -11.347 -6.403 -7.945 668 HG13 ILE 80 HG12 ILE 80 -12.164 -4.842 -7.863 669 HG21 ILE 80 HG21 ILE 80 -9.640 -6.321 -6.995 670 HG22 ILE 80 HG22 ILE 80 -8.602 -4.907 -6.811 671 HG23 ILE 80 HG23 ILE 80 -8.367 -6.001 -8.173 672 HD11 ILE 80 HD11 ILE 80 -11.258 -6.315 -10.346 673 HD12 ILE 80 HD12 ILE 80 -11.777 -4.629 -10.361 674 HD13 ILE 80 HD13 ILE 80 -12.909 -5.895 -9.887 675 H ALA 81 H ALA 81 -8.462 -2.560 -6.081 676 HA ALA 81 HA ALA 81 -6.981 -1.008 -8.179 677 HB1 ALA 81 HB1 ALA 81 -7.960 -0.432 -5.466 678 HB2 ALA 81 HB2 ALA 81 -7.549 0.683 -6.769 679 HB3 ALA 81 HB3 ALA 81 -6.282 0.043 -5.724 680 H LEU 82 H LEU 82 -4.642 -0.943 -7.920 681 HA LEU 82 HA LEU 82 -3.548 -3.315 -6.441 682 HB2 LEU 82 HB3 LEU 82 -3.570 -3.095 -9.042 683 HB3 LEU 82 HB2 LEU 82 -2.265 -1.937 -8.796 684 HG LEU 82 HG LEU 82 -1.221 -4.069 -9.131 685 HD11 LEU 82 HD11 LEU 82 -1.315 -3.829 -6.126 686 HD12 LEU 82 HD12 LEU 82 -0.533 -2.594 -7.113 687 HD13 LEU 82 HD13 LEU 82 0.054 -4.257 -7.152 688 HD21 LEU 82 HD21 LEU 82 -3.507 -5.212 -8.404 689 HD22 LEU 82 HD22 LEU 82 -2.697 -5.316 -6.840 690 HD23 LEU 82 HD23 LEU 82 -1.980 -6.082 -8.257 691 H VAL 83 H VAL 83 -2.335 -2.687 -4.708 692 HA VAL 83 HA VAL 83 -1.109 0.044 -4.756 693 HB VAL 83 HB VAL 83 -1.734 -1.769 -2.411 694 HG11 VAL 83 HG11 VAL 83 -1.614 1.208 -2.262 695 HG12 VAL 83 HG12 VAL 83 -0.086 0.344 -2.421 696 HG13 VAL 83 HG13 VAL 83 -1.152 0.004 -1.059 697 HG21 VAL 83 HG21 VAL 83 -3.842 -1.333 -3.409 698 HG22 VAL 83 HG22 VAL 83 -3.381 0.309 -3.856 699 HG23 VAL 83 HG23 VAL 83 -3.684 -0.091 -2.165 700 H HIS 84 H HIS 84 1.071 0.200 -4.729 701 HA HIS 84 HA HIS 84 2.692 -2.162 -3.841 702 HB2 HIS 84 HB3 HIS 84 2.656 -2.086 -6.268 703 HB3 HIS 84 HB2 HIS 84 3.013 -0.359 -6.261 704 HD1 HIS 84 HD1 HIS 84 4.758 -2.839 -4.017 705 HD2 HIS 84 HD2 HIS 84 5.575 -0.580 -7.424 706 HE1 HIS 84 HE1 HIS 84 7.249 -3.037 -4.426 707 H LEU 85 H LEU 85 4.187 -1.559 -2.298 708 HA LEU 85 HA LEU 85 4.973 1.334 -2.184 709 HB2 LEU 85 HB3 LEU 85 4.547 1.346 0.153 710 HB3 LEU 85 HB2 LEU 85 3.176 0.477 -0.537 711 HG LEU 85 HG LEU 85 4.785 -1.619 -0.155 712 HD11 LEU 85 HD11 LEU 85 5.815 -1.096 2.218 713 HD12 LEU 85 HD12 LEU 85 5.814 0.565 1.627 714 HD13 LEU 85 HD13 LEU 85 6.712 -0.679 0.758 715 HD21 LEU 85 HD21 LEU 85 3.032 -0.189 1.851 716 HD22 LEU 85 HD22 LEU 85 3.736 -1.769 2.192 717 HD23 LEU 85 HD23 LEU 85 2.623 -1.574 0.839 718 H GLU 86 H GLU 86 7.080 1.726 -1.308 719 HA GLU 86 HA GLU 86 8.822 -0.678 -0.923 720 HB2 GLU 86 HB3 GLU 86 8.811 1.358 -3.027 721 HB3 GLU 86 HB2 GLU 86 10.373 1.252 -2.214 722 HG2 GLU 86 HG3 GLU 86 10.811 -0.809 -3.060 723 HG3 GLU 86 HG2 GLU 86 9.154 -1.360 -2.817 724 H ALA 87 H ALA 87 10.041 -0.453 0.927 725 HA ALA 87 HA ALA 87 10.467 2.321 1.992 726 HB1 ALA 87 HB1 ALA 87 10.366 0.420 4.105 727 HB2 ALA 87 HB2 ALA 87 9.004 0.077 3.039 728 HB3 ALA 87 HB3 ALA 87 9.192 1.685 3.739 729 H LYS 88 H LYS 88 12.441 2.595 3.206 730 HA LYS 88 HA LYS 88 14.429 0.367 2.947 731 HB2 LYS 88 HB3 LYS 88 16.064 2.222 2.365 732 HB3 LYS 88 HB2 LYS 88 14.821 1.931 1.148 733 HG2 LYS 88 HG3 LYS 88 13.521 3.817 1.931 734 HG3 LYS 88 HG2 LYS 88 14.598 4.043 3.309 735 HD2 LYS 88 HD3 LYS 88 15.681 4.134 0.501 736 HD3 LYS 88 HD2 LYS 88 14.928 5.561 1.214 737 HE2 LYS 88 HE3 LYS 88 16.562 4.847 3.259 738 HE3 LYS 88 HE2 LYS 88 17.520 4.272 1.881 739 HZ1 LYS 88 HZ1 LYS 88 17.699 6.346 1.007 740 HZ2 LYS 88 HZ2 LYS 88 17.562 6.792 2.641 741 HZ3 LYS 88 HZ3 LYS 88 16.206 6.867 1.620 742 H GLU 89 H GLU 89 15.829 0.189 4.736 743 HA GLU 89 HA GLU 89 15.122 1.873 7.088 744 HB2 GLU 89 HB3 GLU 89 15.978 0.042 8.356 745 HB3 GLU 89 HB2 GLU 89 15.125 -0.697 7.002 746 HG2 GLU 89 HG3 GLU 89 17.197 -1.061 5.807 747 HG3 GLU 89 HG2 GLU 89 18.104 -0.137 7.006 748 H SER 90 H SER 90 16.627 3.221 8.061 749 HA SER 90 HA SER 90 19.251 3.531 6.662 750 HB2 SER 90 HB3 SER 90 17.401 5.302 8.250 751 HB3 SER 90 HB2 SER 90 19.088 5.758 8.031 752 HG SER 90 HG SER 90 17.000 5.700 6.232 753 H LYS 91 H LYS 91 21.182 3.658 7.945 754 HA LYS 91 HA LYS 91 21.661 1.896 9.997 755 HB2 LYS 91 HB3 LYS 91 23.527 3.437 10.607 756 HB3 LYS 91 HB2 LYS 91 23.357 3.263 8.860 757 HG2 LYS 91 HG3 LYS 91 23.444 5.559 8.957 758 HG3 LYS 91 HG2 LYS 91 21.711 5.356 9.223 759 HD2 LYS 91 HD3 LYS 91 22.707 5.063 11.768 760 HD3 LYS 91 HD2 LYS 91 23.802 6.266 11.087 761 HE2 LYS 91 HE3 LYS 91 21.123 6.922 10.278 762 HE3 LYS 91 HE2 LYS 91 21.156 6.697 12.038 763 HZ1 LYS 91 HZ1 LYS 91 21.956 8.941 10.895 764 HZ2 LYS 91 HZ2 LYS 91 23.423 8.084 10.834 765 HZ3 LYS 91 HZ3 LYS 91 22.653 8.355 12.325 766 H GLN 92 H GLN 92 21.011 1.706 12.121 767 HA GLN 92 HA GLN 92 19.853 2.236 14.120 768 HB2 GLN 92 HB3 GLN 92 22.018 3.554 14.180 769 HB3 GLN 92 HB2 GLN 92 21.118 4.938 13.558 770 HG2 GLN 92 HG3 GLN 92 19.510 4.523 15.549 771 HG3 GLN 92 HG2 GLN 92 20.819 3.544 16.215 772 HE21 GLN 92 HE21 GLN 92 19.718 6.283 17.069 773 HE22 GLN 92 HE22 GLN 92 21.089 7.283 17.122 774 H ASN 93 H ASN 93 17.681 2.139 13.256 775 HA ASN 93 HA ASN 93 16.248 4.675 13.331 776 HB2 ASN 93 HB3 ASN 93 15.741 4.891 11.038 777 HB3 ASN 93 HB2 ASN 93 17.436 4.414 11.026 778 HD21 ASN 93 HD21 ASN 93 16.867 1.570 11.713 779 HD22 ASN 93 HD22 ASN 93 16.184 0.880 10.323 780 H TYR 94 H TYR 94 16.228 1.801 14.399 781 HA TYR 94 HA TYR 94 14.620 0.120 14.852 782 HB2 TYR 94 HB3 TYR 94 13.217 2.772 14.730 783 HB3 TYR 94 HB2 TYR 94 12.302 1.310 15.099 784 HD1 TYR 94 HD1 TYR 94 12.551 0.154 17.187 785 HD2 TYR 94 HD2 TYR 94 15.084 3.487 16.224 786 HE1 TYR 94 HE1 TYR 94 13.339 0.232 19.537 787 HE2 TYR 94 HE2 TYR 94 15.873 3.564 18.575 788 HH TYR 94 HH TYR 94 16.009 1.655 20.534 789 H GLN 95 H GLN 95 11.922 1.429 13.343 790 HA GLN 95 HA GLN 95 11.898 -0.699 11.330 791 HB2 GLN 95 HB3 GLN 95 9.998 1.516 12.156 792 HB3 GLN 95 HB2 GLN 95 9.605 0.307 10.933 793 HG2 GLN 95 HG3 GLN 95 9.562 -1.441 12.481 794 HG3 GLN 95 HG2 GLN 95 10.592 -0.583 13.627 795 HE21 GLN 95 HE21 GLN 95 9.562 0.713 15.215 796 HE22 GLN 95 HE22 GLN 95 7.885 0.958 15.285 797 HA PRO 96 HA PRO 96 13.238 1.764 7.943 798 HB2 PRO 96 HB3 PRO 96 11.911 0.506 5.901 799 HB3 PRO 96 HB2 PRO 96 13.333 -0.181 6.708 800 HG2 PRO 96 HG3 PRO 96 10.469 -0.859 7.028 801 HG3 PRO 96 HG2 PRO 96 11.898 -1.894 7.147 802 HD2 PRO 96 HD3 PRO 96 10.472 -0.913 9.298 803 HD3 PRO 96 HD2 PRO 96 12.153 -1.484 9.365 804 H ASP 97 H ASP 97 12.349 3.183 6.169 805 HA ASP 97 HA ASP 97 9.582 4.134 6.840 806 HB2 ASP 97 HB3 ASP 97 12.039 5.597 5.816 807 HB3 ASP 97 HB2 ASP 97 10.474 6.350 6.128 808 H PHE 98 H PHE 98 8.181 4.543 5.085 809 HA PHE 98 HA PHE 98 8.808 3.196 2.565 810 HB2 PHE 98 HB3 PHE 98 6.457 4.937 3.372 811 HB3 PHE 98 HB2 PHE 98 6.488 3.756 2.063 812 HD1 PHE 98 HD1 PHE 98 7.167 1.308 2.745 813 HD2 PHE 98 HD2 PHE 98 5.704 4.273 5.487 814 HE1 PHE 98 HE1 PHE 98 6.521 -0.482 4.336 815 HE2 PHE 98 HE2 PHE 98 5.057 2.483 7.077 816 HZ PHE 98 HZ PHE 98 5.466 0.106 6.502 817 H ILE 99 H ILE 99 9.350 4.182 0.619 818 HA ILE 99 HA ILE 99 9.613 7.170 0.652 819 HB ILE 99 HB ILE 99 11.452 6.511 -1.126 820 HG12 ILE 99 HG13 ILE 99 11.299 3.990 0.557 821 HG13 ILE 99 HG12 ILE 99 10.755 4.091 -1.118 822 HG21 ILE 99 HG21 ILE 99 12.442 7.496 0.669 823 HG22 ILE 99 HG22 ILE 99 12.879 5.843 1.104 824 HG23 ILE 99 HG23 ILE 99 11.459 6.599 1.827 825 HD11 ILE 99 HD11 ILE 99 13.328 3.467 -0.300 826 HD12 ILE 99 HD12 ILE 99 13.449 5.173 -0.735 827 HD13 ILE 99 HD13 ILE 99 12.869 4.000 -1.917 828 H ASN 100 H ASN 100 8.304 4.405 -0.992 829 HA ASN 100 HA ASN 100 7.186 6.234 -3.077 830 HB2 ASN 100 HB3 ASN 100 8.711 3.642 -3.434 831 HB3 ASN 100 HB2 ASN 100 7.682 4.306 -4.702 832 HD21 ASN 100 HD21 ASN 100 10.517 5.118 -2.655 833 HD22 ASN 100 HD22 ASN 100 11.185 6.229 -3.751 834 H MET 101 H MET 101 4.992 5.920 -3.211 835 HA MET 101 HA MET 101 3.861 3.210 -2.779 836 HB2 MET 101 HB3 MET 101 3.946 4.155 -0.548 837 HB3 MET 101 HB2 MET 101 3.244 5.671 -1.116 838 HG2 MET 101 HG3 MET 101 1.614 4.098 0.035 839 HG3 MET 101 HG2 MET 101 1.135 4.620 -1.579 840 HE1 MET 101 HE1 MET 101 -0.293 1.911 -0.430 841 HE2 MET 101 HE2 MET 101 1.021 2.178 0.713 842 HE3 MET 101 HE3 MET 101 0.882 0.626 -0.111 843 H TYR 102 H TYR 102 2.389 2.932 -4.422 844 HA TYR 102 HA TYR 102 0.620 5.207 -5.165 845 HB2 TYR 102 HB3 TYR 102 1.255 5.025 -7.505 846 HB3 TYR 102 HB2 TYR 102 2.723 5.238 -6.550 847 HD1 TYR 102 HD1 TYR 102 0.544 2.614 -8.080 848 HD2 TYR 102 HD2 TYR 102 4.460 3.650 -6.654 849 HE1 TYR 102 HE1 TYR 102 1.433 0.478 -8.974 850 HE2 TYR 102 HE2 TYR 102 5.350 1.513 -7.547 851 HH TYR 102 HH TYR 102 4.576 -0.124 -9.508 852 H VAL 103 H VAL 103 -1.287 4.485 -6.361 853 HA VAL 103 HA VAL 103 -1.785 1.537 -6.113 854 HB VAL 103 HB VAL 103 -2.999 3.097 -4.545 855 HG11 VAL 103 HG11 VAL 103 -4.856 3.954 -6.656 856 HG12 VAL 103 HG12 VAL 103 -3.252 4.675 -6.793 857 HG13 VAL 103 HG13 VAL 103 -4.185 4.875 -5.310 858 HG21 VAL 103 HG21 VAL 103 -5.141 2.035 -6.293 859 HG22 VAL 103 HG22 VAL 103 -4.825 1.724 -4.586 860 HG23 VAL 103 HG23 VAL 103 -3.903 0.870 -5.824 861 H ASP 104 H ASP 104 -2.659 0.509 -7.926 862 HA ASP 104 HA ASP 104 -2.922 2.183 -10.392 863 HB2 ASP 104 HB3 ASP 104 -1.458 -0.071 -9.814 864 HB3 ASP 104 HB2 ASP 104 -2.890 -0.763 -10.577 865 H VAL 105 H VAL 105 -4.976 2.538 -11.122 866 HA VAL 105 HA VAL 105 -7.145 0.672 -10.226 867 HB VAL 105 HB VAL 105 -7.426 3.503 -11.260 868 HG11 VAL 105 HG11 VAL 105 -9.128 1.937 -9.305 869 HG12 VAL 105 HG12 VAL 105 -9.423 1.941 -11.044 870 HG13 VAL 105 HG13 VAL 105 -9.542 3.442 -10.125 871 HG21 VAL 105 HG21 VAL 105 -6.085 3.988 -9.442 872 HG22 VAL 105 HG22 VAL 105 -6.504 2.494 -8.601 873 HG23 VAL 105 HG23 VAL 105 -7.634 3.850 -8.610 874 HA PRO 106 HA PRO 106 -7.263 -0.489 -14.522 875 HB2 PRO 106 HB3 PRO 106 -9.613 -1.944 -14.331 876 HB3 PRO 106 HB2 PRO 106 -8.006 -2.577 -13.928 877 HG2 PRO 106 HG3 PRO 106 -10.162 -1.612 -12.139 878 HG3 PRO 106 HG2 PRO 106 -8.966 -2.892 -11.886 879 HD2 PRO 106 HD3 PRO 106 -8.809 -0.418 -10.740 880 HD3 PRO 106 HD2 PRO 106 -7.397 -1.444 -11.078 881 H GLY 107 H GLY 107 -8.051 0.800 -16.136 882 HA2 GLY 107 HA3 GLY 107 -9.715 1.919 -17.424 883 HA3 GLY 107 HA2 GLY 107 -10.860 1.683 -16.103 884 H GLU 108 H GLU 108 -8.651 2.754 -14.240 885 HA GLU 108 HA GLU 108 -9.094 5.657 -14.849 886 HB2 GLU 108 HB3 GLU 108 -9.293 3.953 -12.397 887 HB3 GLU 108 HB2 GLU 108 -8.772 5.626 -12.194 888 HG2 GLU 108 HG3 GLU 108 -11.021 6.028 -12.113 889 HG3 GLU 108 HG2 GLU 108 -10.873 5.988 -13.871 890 H LYS 109 H LYS 109 -7.356 7.045 -13.717 891 HA LYS 109 HA LYS 109 -4.704 5.997 -14.441 892 HB2 LYS 109 HB3 LYS 109 -5.594 8.309 -14.925 893 HB3 LYS 109 HB2 LYS 109 -5.529 8.637 -13.193 894 HG2 LYS 109 HG3 LYS 109 -3.155 8.396 -13.135 895 HG3 LYS 109 HG2 LYS 109 -3.119 7.681 -14.747 896 HD2 LYS 109 HD3 LYS 109 -4.365 10.359 -14.596 897 HD3 LYS 109 HD2 LYS 109 -2.635 10.318 -14.255 898 HE2 LYS 109 HE3 LYS 109 -2.114 9.873 -16.427 899 HE3 LYS 109 HE2 LYS 109 -3.416 8.676 -16.576 900 HZ1 LYS 109 HZ1 LYS 109 -3.845 11.613 -16.467 901 HZ2 LYS 109 HZ2 LYS 109 -5.026 10.423 -16.744 902 HZ3 LYS 109 HZ3 LYS 109 -3.818 10.712 -17.902 903 H ARG 110 H ARG 110 -3.115 5.386 -12.978 904 HA ARG 110 HA ARG 110 -3.823 4.679 -10.285 905 HB2 ARG 110 HB3 ARG 110 -1.457 4.067 -10.161 906 HB3 ARG 110 HB2 ARG 110 -2.087 3.617 -11.745 907 HG2 ARG 110 HG3 ARG 110 -1.274 6.059 -12.390 908 HG3 ARG 110 HG2 ARG 110 -0.200 5.821 -11.010 909 HD2 ARG 110 HD3 ARG 110 -0.408 3.582 -12.985 910 HD3 ARG 110 HD2 ARG 110 0.523 5.019 -13.455 911 HE ARG 110 HE ARG 110 1.171 4.222 -10.756 912 HH11 ARG 110 HH11 ARG 110 1.652 3.479 -14.096 913 HH12 ARG 110 HH12 ARG 110 3.200 2.746 -13.842 914 HH21 ARG 110 HH21 ARG 110 3.189 3.265 -10.416 915 HH22 ARG 110 HH22 ARG 110 4.069 2.625 -11.763 916 H TYR 111 H TYR 111 -3.372 5.744 -8.343 917 HA TYR 111 HA TYR 111 -2.368 8.562 -8.586 918 HB2 TYR 111 HB3 TYR 111 -4.820 7.732 -7.831 919 HB3 TYR 111 HB2 TYR 111 -4.006 7.647 -6.268 920 HD1 TYR 111 HD1 TYR 111 -4.148 9.556 -4.956 921 HD2 TYR 111 HD2 TYR 111 -4.065 9.961 -9.232 922 HE1 TYR 111 HE1 TYR 111 -4.324 12.020 -4.726 923 HE2 TYR 111 HE2 TYR 111 -4.241 12.424 -9.002 924 HH TYR 111 HH TYR 111 -5.094 13.942 -6.095 925 H TYR 112 H TYR 112 -0.564 9.063 -7.377 926 HA TYR 112 HA TYR 112 0.738 6.943 -5.824 927 HB2 TYR 112 HB3 TYR 112 2.610 8.367 -5.953 928 HB3 TYR 112 HB2 TYR 112 1.729 8.740 -7.432 929 HD1 TYR 112 HD1 TYR 112 2.977 10.017 -4.287 930 HD2 TYR 112 HD2 TYR 112 0.190 10.765 -7.469 931 HE1 TYR 112 HE1 TYR 112 2.802 12.386 -3.576 932 HE2 TYR 112 HE2 TYR 112 0.013 13.133 -6.758 933 HH TYR 112 HH TYR 112 0.932 14.248 -3.839 934 H LEU 113 H LEU 113 1.123 7.007 -3.568 935 HA LEU 113 HA LEU 113 -0.701 8.803 -2.032 936 HB2 LEU 113 HB3 LEU 113 -0.158 6.067 -2.010 937 HB3 LEU 113 HB2 LEU 113 0.704 6.675 -0.597 938 HG LEU 113 HG LEU 113 -1.643 6.044 -0.063 939 HD11 LEU 113 HD11 LEU 113 -1.406 9.048 0.075 940 HD12 LEU 113 HD12 LEU 113 -0.328 8.010 1.008 941 HD13 LEU 113 HD13 LEU 113 -2.070 7.940 1.276 942 HD21 LEU 113 HD21 LEU 113 -2.111 7.573 -2.481 943 HD22 LEU 113 HD22 LEU 113 -3.060 8.230 -1.147 944 HD23 LEU 113 HD23 LEU 113 -3.227 6.532 -1.596 945 H ILE 114 H ILE 114 2.666 7.592 -2.044 946 HA ILE 114 HA ILE 114 3.410 9.776 -0.145 947 HB ILE 114 HB ILE 114 4.706 7.185 -1.039 948 HG12 ILE 114 HG13 ILE 114 3.789 8.119 1.697 949 HG13 ILE 114 HG12 ILE 114 2.799 7.135 0.619 950 HG21 ILE 114 HG21 ILE 114 6.514 7.698 0.526 951 HG22 ILE 114 HG22 ILE 114 5.757 9.238 0.931 952 HG23 ILE 114 HG23 ILE 114 6.406 8.973 -0.687 953 HD11 ILE 114 HD11 ILE 114 3.795 5.367 1.635 954 HD12 ILE 114 HD12 ILE 114 5.109 6.358 2.270 955 HD13 ILE 114 HD13 ILE 114 5.179 5.757 0.613 956 H LYS 115 H LYS 115 4.463 8.275 -3.225 957 HA LYS 115 HA LYS 115 6.617 9.868 -3.934 958 HB2 LYS 115 HB3 LYS 115 5.650 7.998 -5.241 959 HB3 LYS 115 HB2 LYS 115 4.288 9.027 -5.680 960 HG2 LYS 115 HG3 LYS 115 5.560 10.360 -7.086 961 HG3 LYS 115 HG2 LYS 115 7.060 10.018 -6.222 962 HD2 LYS 115 HD3 LYS 115 7.522 8.254 -7.547 963 HD3 LYS 115 HD2 LYS 115 5.896 7.596 -7.345 964 HE2 LYS 115 HE3 LYS 115 6.411 8.197 -9.731 965 HE3 LYS 115 HE2 LYS 115 5.041 9.120 -9.081 966 HZ1 LYS 115 HZ1 LYS 115 6.813 10.482 -10.206 967 HZ2 LYS 115 HZ2 LYS 115 7.846 10.070 -8.922 968 HZ3 LYS 115 HZ3 LYS 115 6.429 10.957 -8.625 Start of MODEL 14 1 H1 GLY 1 H GLY 1 6.051 -14.353 10.241 2 HA2 GLY 1 HA3 GLY 1 6.610 -12.780 12.117 3 HA3 GLY 1 HA2 GLY 1 7.279 -12.162 10.605 4 H SER 2 H SER 2 7.039 -10.023 11.718 5 HA SER 2 HA SER 2 4.292 -9.019 12.098 6 HB2 SER 2 HB3 SER 2 5.369 -7.315 13.231 7 HB3 SER 2 HB2 SER 2 6.638 -8.533 13.313 8 HG SER 2 HG SER 2 7.281 -6.410 12.513 9 H ASP 3 H ASP 3 5.900 -9.685 9.375 10 HA ASP 3 HA ASP 3 5.997 -7.265 7.865 11 HB2 ASP 3 HB3 ASP 3 6.132 -8.773 5.985 12 HB3 ASP 3 HB2 ASP 3 6.942 -9.565 7.338 13 H THR 4 H THR 4 3.339 -9.496 8.581 14 HA THR 4 HA THR 4 1.416 -8.585 6.707 15 HB THR 4 HB THR 4 1.134 -9.562 9.569 16 HG1 THR 4 HG1 THR 4 0.916 -11.559 8.568 17 HG21 THR 4 HG21 THR 4 -1.112 -10.403 8.448 18 HG22 THR 4 HG22 THR 4 -0.839 -9.024 7.383 19 HG23 THR 4 HG23 THR 4 -1.000 -8.777 9.121 20 H GLN 5 H GLN 5 2.167 -7.378 9.989 21 HA GLN 5 HA GLN 5 0.156 -5.371 10.147 22 HB2 GLN 5 HB3 GLN 5 2.989 -5.451 11.242 23 HB3 GLN 5 HB2 GLN 5 1.695 -4.415 11.845 24 HG2 GLN 5 HG3 GLN 5 0.359 -6.406 12.420 25 HG3 GLN 5 HG2 GLN 5 1.647 -7.448 11.813 26 HE21 GLN 5 HE21 GLN 5 0.590 -7.163 14.638 27 HE22 GLN 5 HE22 GLN 5 1.948 -6.774 15.577 28 H LEU 6 H LEU 6 3.292 -5.420 8.540 29 HA LEU 6 HA LEU 6 3.681 -2.650 8.067 30 HB2 LEU 6 HB3 LEU 6 5.224 -4.627 7.657 31 HB3 LEU 6 HB2 LEU 6 4.293 -4.957 6.195 32 HG LEU 6 HG LEU 6 4.771 -2.562 5.489 33 HD11 LEU 6 HD11 LEU 6 6.837 -1.593 6.606 34 HD12 LEU 6 HD12 LEU 6 6.617 -2.794 7.878 35 HD13 LEU 6 HD13 LEU 6 5.376 -1.573 7.593 36 HD21 LEU 6 HD21 LEU 6 7.306 -3.157 5.083 37 HD22 LEU 6 HD22 LEU 6 6.050 -4.139 4.327 38 HD23 LEU 6 HD23 LEU 6 6.855 -4.708 5.789 39 H PHE 7 H PHE 7 1.762 -5.057 6.283 40 HA PHE 7 HA PHE 7 1.009 -3.199 4.167 41 HB2 PHE 7 HB3 PHE 7 0.684 -5.256 3.274 42 HB3 PHE 7 HB2 PHE 7 0.810 -6.006 4.860 43 HD1 PHE 7 HD1 PHE 7 -1.015 -7.307 5.467 44 HD2 PHE 7 HD2 PHE 7 -1.661 -3.809 3.058 45 HE1 PHE 7 HE1 PHE 7 -3.450 -7.772 5.445 46 HE2 PHE 7 HE2 PHE 7 -4.097 -4.276 3.033 47 HZ PHE 7 HZ PHE 7 -4.991 -6.258 4.227 48 H ASN 8 H ASN 8 -0.403 -4.297 7.227 49 HA ASN 8 HA ASN 8 -3.052 -3.331 6.923 50 HB2 ASN 8 HB3 ASN 8 -1.130 -3.809 9.175 51 HB3 ASN 8 HB2 ASN 8 -2.663 -3.011 9.530 52 HD21 ASN 8 HD21 ASN 8 -1.191 -6.055 8.552 53 HD22 ASN 8 HD22 ASN 8 -2.613 -6.980 8.619 54 H ARG 9 H ARG 9 -0.229 -1.644 8.350 55 HA ARG 9 HA ARG 9 -1.582 0.866 8.714 56 HB2 ARG 9 HB3 ARG 9 0.755 1.681 9.006 57 HB3 ARG 9 HB2 ARG 9 0.445 0.204 9.916 58 HG2 ARG 9 HG3 ARG 9 1.553 -1.140 8.239 59 HG3 ARG 9 HG2 ARG 9 1.694 0.242 7.155 60 HD2 ARG 9 HD3 ARG 9 2.910 0.437 9.898 61 HD3 ARG 9 HD2 ARG 9 3.763 -0.465 8.635 62 HE ARG 9 HE ARG 9 3.952 1.548 7.342 63 HH11 ARG 9 HH11 ARG 9 2.128 1.975 10.265 64 HH12 ARG 9 HH12 ARG 9 2.188 3.700 10.184 65 HH21 ARG 9 HH21 ARG 9 4.023 3.789 7.254 66 HH22 ARG 9 HH22 ARG 9 3.248 4.724 8.490 67 H ALA 10 H ALA 10 0.344 -0.471 6.043 68 HA ALA 10 HA ALA 10 0.556 1.952 4.513 69 HB1 ALA 10 HB1 ALA 10 0.394 -0.552 3.001 70 HB2 ALA 10 HB2 ALA 10 1.441 -0.685 4.415 71 HB3 ALA 10 HB3 ALA 10 1.759 0.549 3.195 72 H VAL 11 H VAL 11 -1.810 -0.719 4.457 73 HA VAL 11 HA VAL 11 -3.356 0.360 2.270 74 HB VAL 11 HB VAL 11 -3.069 -2.016 3.570 75 HG11 VAL 11 HG11 VAL 11 -4.359 -1.387 5.526 76 HG12 VAL 11 HG12 VAL 11 -5.301 -2.543 4.583 77 HG13 VAL 11 HG13 VAL 11 -5.690 -0.823 4.515 78 HG21 VAL 11 HG21 VAL 11 -4.411 -2.794 1.899 79 HG22 VAL 11 HG22 VAL 11 -4.265 -1.134 1.323 80 HG23 VAL 11 HG23 VAL 11 -5.690 -1.627 2.238 81 H SER 12 H SER 12 -3.510 0.659 5.798 82 HA SER 12 HA SER 12 -6.096 1.768 6.088 83 HB2 SER 12 HB3 SER 12 -4.164 1.083 7.758 84 HB3 SER 12 HB2 SER 12 -3.733 2.788 7.639 85 HG SER 12 HG SER 12 -5.903 3.267 8.235 86 H MET 13 H MET 13 -2.997 3.484 5.577 87 HA MET 13 HA MET 13 -4.213 6.096 5.361 88 HB2 MET 13 HB3 MET 13 -1.946 6.702 4.560 89 HB3 MET 13 HB2 MET 13 -1.861 5.658 5.979 90 HG2 MET 13 HG3 MET 13 -1.443 3.709 4.574 91 HG3 MET 13 HG2 MET 13 -1.649 4.681 3.116 92 HE1 MET 13 HE1 MET 13 -0.084 4.521 1.955 93 HE2 MET 13 HE2 MET 13 1.528 3.988 2.422 94 HE3 MET 13 HE3 MET 13 1.251 5.679 2.016 95 H VAL 14 H VAL 14 -3.481 3.524 3.064 96 HA VAL 14 HA VAL 14 -3.866 5.132 0.674 97 HB VAL 14 HB VAL 14 -3.806 2.172 1.306 98 HG11 VAL 14 HG11 VAL 14 -4.920 1.991 -0.687 99 HG12 VAL 14 HG12 VAL 14 -3.318 2.295 -1.356 100 HG13 VAL 14 HG13 VAL 14 -4.473 3.618 -1.200 101 HG21 VAL 14 HG21 VAL 14 -1.789 3.530 -0.404 102 HG22 VAL 14 HG22 VAL 14 -1.564 2.291 0.831 103 HG23 VAL 14 HG23 VAL 14 -1.782 3.976 1.303 104 H GLU 15 H GLU 15 -5.949 2.993 2.615 105 HA GLU 15 HA GLU 15 -8.196 3.184 0.754 106 HB2 GLU 15 HB3 GLU 15 -9.270 1.769 2.363 107 HB3 GLU 15 HB2 GLU 15 -7.575 1.281 2.345 108 HG2 GLU 15 HG3 GLU 15 -7.141 2.692 4.320 109 HG3 GLU 15 HG2 GLU 15 -8.835 3.187 4.339 110 H LYS 16 H LYS 16 -7.000 5.081 3.411 111 HA LYS 16 HA LYS 16 -9.636 6.454 3.717 112 HB2 LYS 16 HB3 LYS 16 -8.733 7.213 5.808 113 HB3 LYS 16 HB2 LYS 16 -8.262 5.520 5.658 114 HG2 LYS 16 HG3 LYS 16 -6.078 6.335 4.643 115 HG3 LYS 16 HG2 LYS 16 -6.551 7.962 5.137 116 HD2 LYS 16 HD3 LYS 16 -6.973 6.700 7.466 117 HD3 LYS 16 HD2 LYS 16 -5.723 5.640 6.812 118 HE2 LYS 16 HE3 LYS 16 -4.552 7.350 8.032 119 HE3 LYS 16 HE2 LYS 16 -4.388 7.794 6.320 120 HZ1 LYS 16 HZ1 LYS 16 -6.029 9.391 6.480 121 HZ2 LYS 16 HZ2 LYS 16 -5.258 9.553 7.985 122 HZ3 LYS 16 HZ3 LYS 16 -6.725 8.705 7.865 123 H ASN 17 H ASN 17 -6.523 6.825 2.275 124 HA ASN 17 HA ASN 17 -5.981 9.561 2.362 125 HB2 ASN 17 HB3 ASN 17 -5.147 7.329 0.957 126 HB3 ASN 17 HB2 ASN 17 -5.784 8.368 -0.318 127 HD21 ASN 17 HD21 ASN 17 -4.141 9.638 -1.176 128 HD22 ASN 17 HD22 ASN 17 -2.872 10.330 -0.285 129 H LYS 18 H LYS 18 -7.406 11.224 2.025 130 HA LYS 18 HA LYS 18 -9.896 11.032 0.651 131 HB2 LYS 18 HB3 LYS 18 -9.936 13.422 0.972 132 HB3 LYS 18 HB2 LYS 18 -9.085 12.735 2.356 133 HG2 LYS 18 HG3 LYS 18 -6.944 13.098 0.898 134 HG3 LYS 18 HG2 LYS 18 -7.959 14.226 -0.002 135 HD2 LYS 18 HD3 LYS 18 -6.756 15.420 1.771 136 HD3 LYS 18 HD2 LYS 18 -8.487 15.412 2.115 137 HE2 LYS 18 HE3 LYS 18 -8.254 13.707 3.777 138 HE3 LYS 18 HE2 LYS 18 -6.598 13.332 3.258 139 HZ1 LYS 18 HZ1 LYS 18 -7.188 16.105 3.955 140 HZ2 LYS 18 HZ2 LYS 18 -5.768 15.205 4.199 141 HZ3 LYS 18 HZ3 LYS 18 -7.096 15.003 5.240 142 H ASP 19 H ASP 19 -6.642 11.710 -0.500 143 HA ASP 19 HA ASP 19 -7.357 12.887 -3.034 144 HB2 ASP 19 HB3 ASP 19 -4.918 11.246 -2.277 145 HB3 ASP 19 HB2 ASP 19 -5.014 12.480 -3.535 146 H ILE 20 H ILE 20 -6.631 9.537 -2.027 147 HA ILE 20 HA ILE 20 -7.011 8.436 -4.696 148 HB ILE 20 HB ILE 20 -6.952 7.182 -1.932 149 HG12 ILE 20 HG13 ILE 20 -4.908 8.425 -2.402 150 HG13 ILE 20 HG12 ILE 20 -4.573 6.699 -2.548 151 HG21 ILE 20 HG21 ILE 20 -6.849 5.107 -2.938 152 HG22 ILE 20 HG22 ILE 20 -6.131 5.744 -4.418 153 HG23 ILE 20 HG23 ILE 20 -7.859 5.940 -4.120 154 HD11 ILE 20 HD11 ILE 20 -4.507 8.796 -4.604 155 HD12 ILE 20 HD12 ILE 20 -5.399 7.356 -5.096 156 HD13 ILE 20 HD13 ILE 20 -3.717 7.219 -4.581 157 H ARG 21 H ARG 21 -9.019 8.728 -1.762 158 HA ARG 21 HA ARG 21 -11.184 7.082 -2.482 159 HB2 ARG 21 HB3 ARG 21 -12.229 8.143 -0.704 160 HB3 ARG 21 HB2 ARG 21 -10.570 8.653 -0.404 161 HG2 ARG 21 HG3 ARG 21 -11.789 10.664 -0.263 162 HG3 ARG 21 HG2 ARG 21 -11.157 10.692 -1.908 163 HD2 ARG 21 HD3 ARG 21 -13.337 11.054 -2.505 164 HD3 ARG 21 HD2 ARG 21 -13.530 9.312 -2.229 165 HE ARG 21 HE ARG 21 -14.642 9.807 -0.201 166 HH11 ARG 21 HH11 ARG 21 -12.870 12.519 -1.403 167 HH12 ARG 21 HH12 ARG 21 -13.492 13.614 -0.214 168 HH21 ARG 21 HH21 ARG 21 -15.465 11.230 1.347 169 HH22 ARG 21 HH22 ARG 21 -14.959 12.886 1.340 170 H SER 22 H SER 22 -10.395 10.362 -3.570 171 HA SER 22 HA SER 22 -12.844 10.964 -4.913 172 HB2 SER 22 HB3 SER 22 -9.947 11.765 -5.246 173 HB3 SER 22 HB2 SER 22 -11.214 12.453 -6.258 174 HG SER 22 HG SER 22 -10.517 13.125 -3.786 175 H LEU 23 H LEU 23 -9.945 9.184 -5.917 176 HA LEU 23 HA LEU 23 -10.763 8.857 -8.685 177 HB2 LEU 23 HB3 LEU 23 -8.870 7.161 -7.031 178 HB3 LEU 23 HB2 LEU 23 -8.823 7.427 -8.773 179 HG LEU 23 HG LEU 23 -8.226 9.426 -6.582 180 HD11 LEU 23 HD11 LEU 23 -6.689 7.827 -8.516 181 HD12 LEU 23 HD12 LEU 23 -6.163 8.590 -7.014 182 HD13 LEU 23 HD13 LEU 23 -6.255 9.536 -8.499 183 HD21 LEU 23 HD21 LEU 23 -9.172 10.962 -7.964 184 HD22 LEU 23 HD22 LEU 23 -9.250 9.829 -9.312 185 HD23 LEU 23 HD23 LEU 23 -7.756 10.705 -8.981 186 H LEU 24 H LEU 24 -11.018 6.901 -5.727 187 HA LEU 24 HA LEU 24 -12.429 4.734 -7.169 188 HB2 LEU 24 HB3 LEU 24 -10.857 5.104 -4.786 189 HB3 LEU 24 HB2 LEU 24 -12.410 4.392 -4.345 190 HG LEU 24 HG LEU 24 -10.773 2.635 -4.884 191 HD11 LEU 24 HD11 LEU 24 -12.739 2.804 -7.170 192 HD12 LEU 24 HD12 LEU 24 -13.267 2.501 -5.516 193 HD13 LEU 24 HD13 LEU 24 -12.178 1.367 -6.316 194 HD21 LEU 24 HD21 LEU 24 -9.812 2.458 -7.105 195 HD22 LEU 24 HD22 LEU 24 -9.452 4.067 -6.481 196 HD23 LEU 24 HD23 LEU 24 -10.742 3.848 -7.664 197 H GLN 25 H GLN 25 -13.299 7.687 -5.889 198 HA GLN 25 HA GLN 25 -15.360 8.593 -5.162 199 HB2 GLN 25 HB3 GLN 25 -16.512 6.089 -6.414 200 HB3 GLN 25 HB2 GLN 25 -17.222 7.702 -6.362 201 HG2 GLN 25 HG3 GLN 25 -15.469 8.553 -7.848 202 HG3 GLN 25 HG2 GLN 25 -14.688 6.971 -7.860 203 HE21 GLN 25 HE21 GLN 25 -15.570 5.339 -9.234 204 HE22 GLN 25 HE22 GLN 25 -16.889 5.612 -10.267 205 H CYS 26 H CYS 26 -13.928 6.708 -3.349 206 HA CYS 26 HA CYS 26 -15.574 4.806 -2.084 207 HB2 CYS 26 HB3 CYS 26 -13.286 6.572 -1.375 208 HB3 CYS 26 HB2 CYS 26 -14.153 5.838 -0.024 209 HG CYS 26 HG CYS 26 -13.644 3.659 -1.972 210 H ASP 27 H ASP 27 -16.095 5.493 0.501 211 HA ASP 27 HA ASP 27 -17.840 7.923 0.396 212 HB2 ASP 27 HB3 ASP 27 -18.605 5.172 0.301 213 HB3 ASP 27 HB2 ASP 27 -19.106 5.813 1.865 214 H ASP 28 H ASP 28 -18.717 8.340 2.726 215 HA ASP 28 HA ASP 28 -17.523 7.310 5.069 216 HB2 ASP 28 HB3 ASP 28 -15.742 8.777 3.372 217 HB3 ASP 28 HB2 ASP 28 -15.991 9.716 4.845 218 H GLY 29 H GLY 29 -19.654 7.919 5.813 219 HA2 GLY 29 HA3 GLY 29 -19.807 10.647 6.842 220 HA3 GLY 29 HA2 GLY 29 -21.010 10.308 5.599 221 H ILE 30 H ILE 30 -21.496 10.849 8.442 222 HA ILE 30 HA ILE 30 -22.018 8.585 10.031 223 HB ILE 30 HB ILE 30 -22.232 10.909 10.771 224 HG12 ILE 30 HG13 ILE 30 -24.988 10.432 11.268 225 HG13 ILE 30 HG12 ILE 30 -24.204 8.854 11.199 226 HG21 ILE 30 HG21 ILE 30 -24.852 11.246 9.393 227 HG22 ILE 30 HG22 ILE 30 -23.403 11.405 8.401 228 HG23 ILE 30 HG23 ILE 30 -23.632 12.453 9.800 229 HD11 ILE 30 HD11 ILE 30 -23.274 11.196 12.885 230 HD12 ILE 30 HD12 ILE 30 -22.523 9.601 12.830 231 HD13 ILE 30 HD13 ILE 30 -24.148 9.789 13.490 232 H THR 31 H THR 31 -23.619 9.656 7.127 233 HA THR 31 HA THR 31 -25.951 7.871 7.600 234 HB THR 31 HB THR 31 -26.056 10.264 6.712 235 HG1 THR 31 HG1 THR 31 -27.071 8.161 5.103 236 HG21 THR 31 HG21 THR 31 -25.389 9.219 4.013 237 HG22 THR 31 HG22 THR 31 -24.029 9.512 5.096 238 HG23 THR 31 HG23 THR 31 -25.136 10.825 4.693 239 H GLY 32 H GLY 32 -22.853 7.557 6.414 240 HA2 GLY 32 HA3 GLY 32 -23.329 4.989 5.245 241 HA3 GLY 32 HA2 GLY 32 -23.131 6.179 3.959 242 H LYS 33 H LYS 33 -21.478 4.063 5.935 243 HA LYS 33 HA LYS 33 -18.919 5.605 5.673 244 HB2 LYS 33 HB3 LYS 33 -19.831 3.394 7.543 245 HB3 LYS 33 HB2 LYS 33 -18.197 4.063 7.531 246 HG2 LYS 33 HG3 LYS 33 -18.984 5.588 9.011 247 HG3 LYS 33 HG2 LYS 33 -19.788 6.327 7.625 248 HD2 LYS 33 HD3 LYS 33 -21.759 5.895 8.621 249 HD3 LYS 33 HD2 LYS 33 -21.437 4.176 8.393 250 HE2 LYS 33 HE3 LYS 33 -21.814 4.453 10.748 251 HE3 LYS 33 HE2 LYS 33 -20.052 4.328 10.572 252 HZ1 LYS 33 HZ1 LYS 33 -20.336 6.260 11.817 253 HZ2 LYS 33 HZ2 LYS 33 -21.702 6.752 10.938 254 HZ3 LYS 33 HZ3 LYS 33 -20.159 6.849 10.237 255 H GLU 34 H GLU 34 -17.457 4.785 4.221 256 HA GLU 34 HA GLU 34 -18.042 2.191 2.924 257 HB2 GLU 34 HB3 GLU 34 -17.512 4.307 1.686 258 HB3 GLU 34 HB2 GLU 34 -15.895 4.267 2.390 259 HG2 GLU 34 HG3 GLU 34 -16.044 3.261 0.077 260 HG3 GLU 34 HG2 GLU 34 -15.395 2.171 1.301 261 H ARG 35 H ARG 35 -16.685 0.411 3.038 262 HA ARG 35 HA ARG 35 -14.290 0.608 4.830 263 HB2 ARG 35 HB3 ARG 35 -16.130 -0.438 6.026 264 HB3 ARG 35 HB2 ARG 35 -16.476 -1.492 4.654 265 HG2 ARG 35 HG3 ARG 35 -15.188 -2.637 6.474 266 HG3 ARG 35 HG2 ARG 35 -14.347 -2.632 4.925 267 HD2 ARG 35 HD3 ARG 35 -12.944 -0.765 5.629 268 HD3 ARG 35 HD2 ARG 35 -13.852 -0.618 7.147 269 HE ARG 35 HE ARG 35 -11.839 -2.640 6.574 270 HH11 ARG 35 HH11 ARG 35 -14.782 -1.916 8.230 271 HH12 ARG 35 HH12 ARG 35 -14.535 -3.110 9.459 272 HH21 ARG 35 HH21 ARG 35 -11.509 -4.202 8.173 273 HH22 ARG 35 HH22 ARG 35 -12.686 -4.401 9.428 274 H LEU 36 H LEU 36 -12.513 0.116 3.606 275 HA LEU 36 HA LEU 36 -12.867 -1.510 1.142 276 HB2 LEU 36 HB3 LEU 36 -10.566 0.151 2.207 277 HB3 LEU 36 HB2 LEU 36 -10.668 -0.548 0.590 278 HG LEU 36 HG LEU 36 -12.876 1.222 1.602 279 HD11 LEU 36 HD11 LEU 36 -11.583 3.066 0.338 280 HD12 LEU 36 HD12 LEU 36 -10.169 2.035 0.559 281 HD13 LEU 36 HD13 LEU 36 -11.038 2.654 1.963 282 HD21 LEU 36 HD21 LEU 36 -13.463 1.360 -0.639 283 HD22 LEU 36 HD22 LEU 36 -12.734 -0.246 -0.614 284 HD23 LEU 36 HD23 LEU 36 -11.805 1.136 -1.195 285 H LYS 37 H LYS 37 -11.699 -3.389 0.773 286 HA LYS 37 HA LYS 37 -10.250 -4.547 3.133 287 HB2 LYS 37 HB3 LYS 37 -11.938 -5.866 0.977 288 HB3 LYS 37 HB2 LYS 37 -11.139 -6.715 2.301 289 HG2 LYS 37 HG3 LYS 37 -12.564 -4.652 3.549 290 HG3 LYS 37 HG2 LYS 37 -13.659 -5.264 2.309 291 HD2 LYS 37 HD3 LYS 37 -13.536 -7.493 3.164 292 HD3 LYS 37 HD2 LYS 37 -12.171 -7.089 4.207 293 HE2 LYS 37 HE3 LYS 37 -13.536 -6.295 5.845 294 HE3 LYS 37 HE2 LYS 37 -14.525 -5.388 4.683 295 HZ1 LYS 37 HZ1 LYS 37 -15.320 -7.657 5.899 296 HZ2 LYS 37 HZ2 LYS 37 -14.708 -8.262 4.433 297 HZ3 LYS 37 HZ3 LYS 37 -15.941 -7.092 4.426 298 H ALA 38 H ALA 38 -8.131 -5.079 2.707 299 HA ALA 38 HA ALA 38 -7.326 -5.472 -0.157 300 HB1 ALA 38 HB1 ALA 38 -5.898 -3.951 2.049 301 HB2 ALA 38 HB2 ALA 38 -6.739 -3.227 0.679 302 HB3 ALA 38 HB3 ALA 38 -5.283 -4.185 0.413 303 H TYR 39 H TYR 39 -5.818 -7.124 -0.490 304 HA TYR 39 HA TYR 39 -4.569 -8.440 1.867 305 HB2 TYR 39 HB3 TYR 39 -5.475 -10.633 1.021 306 HB3 TYR 39 HB2 TYR 39 -6.731 -9.531 1.585 307 HD1 TYR 39 HD1 TYR 39 -7.918 -8.061 -0.146 308 HD2 TYR 39 HD2 TYR 39 -5.480 -11.435 -1.204 309 HE1 TYR 39 HE1 TYR 39 -8.990 -8.136 -2.382 310 HE2 TYR 39 HE2 TYR 39 -6.551 -11.509 -3.438 311 HH TYR 39 HH TYR 39 -9.288 -10.301 -4.203 312 H GLY 40 H GLY 40 -2.853 -9.977 1.164 313 HA2 GLY 40 HA3 GLY 40 -1.188 -8.956 -0.883 314 HA3 GLY 40 HA2 GLY 40 -1.031 -10.570 -0.188 315 H GLU 41 H GLU 41 -0.474 -11.250 -2.412 316 HA GLU 41 HA GLU 41 -2.947 -11.733 -4.039 317 HB2 GLU 41 HB3 GLU 41 -1.465 -11.367 -6.032 318 HB3 GLU 41 HB2 GLU 41 -1.630 -9.929 -5.023 319 HG2 GLU 41 HG3 GLU 41 0.503 -10.569 -3.866 320 HG3 GLU 41 HG2 GLU 41 0.690 -11.879 -5.033 321 H LEU 42 H LEU 42 -1.533 -13.243 -6.036 322 HA LEU 42 HA LEU 42 -0.731 -15.434 -6.432 323 HB2 LEU 42 HB3 LEU 42 0.668 -14.327 -4.113 324 HB3 LEU 42 HB2 LEU 42 0.582 -16.087 -4.056 325 HG LEU 42 HG LEU 42 1.330 -15.994 -6.538 326 HD11 LEU 42 HD11 LEU 42 2.691 -13.445 -5.822 327 HD12 LEU 42 HD12 LEU 42 0.991 -13.332 -6.273 328 HD13 LEU 42 HD13 LEU 42 2.156 -14.031 -7.397 329 HD21 LEU 42 HD21 LEU 42 3.141 -16.819 -5.472 330 HD22 LEU 42 HD22 LEU 42 2.791 -15.863 -4.032 331 HD23 LEU 42 HD23 LEU 42 3.738 -15.164 -5.346 332 H ILE 43 H ILE 43 -3.319 -15.552 -5.864 333 HA ILE 43 HA ILE 43 -3.564 -17.878 -4.017 334 HB ILE 43 HB ILE 43 -5.530 -16.759 -2.958 335 HG12 ILE 43 HG13 ILE 43 -4.972 -14.057 -3.667 336 HG13 ILE 43 HG12 ILE 43 -5.134 -14.966 -5.169 337 HG21 ILE 43 HG21 ILE 43 -3.306 -16.590 -1.909 338 HG22 ILE 43 HG22 ILE 43 -4.227 -15.107 -1.657 339 HG23 ILE 43 HG23 ILE 43 -2.952 -15.158 -2.876 340 HD11 ILE 43 HD11 ILE 43 -7.130 -15.371 -2.958 341 HD12 ILE 43 HD12 ILE 43 -7.329 -15.617 -4.693 342 HD13 ILE 43 HD13 ILE 43 -7.282 -13.982 -4.035 343 H THR 44 H THR 44 -6.190 -18.401 -4.147 344 HA THR 44 HA THR 44 -7.203 -18.055 -6.905 345 HB THR 44 HB THR 44 -5.602 -19.928 -7.032 346 HG1 THR 44 HG1 THR 44 -8.205 -21.017 -6.990 347 HG21 THR 44 HG21 THR 44 -7.303 -21.562 -5.195 348 HG22 THR 44 HG22 THR 44 -6.135 -20.447 -4.482 349 HG23 THR 44 HG23 THR 44 -5.587 -21.721 -5.573 350 H ASN 45 H ASN 45 -7.586 -19.561 -3.707 351 HA ASN 45 HA ASN 45 -10.485 -18.909 -3.788 352 HB2 ASN 45 HB3 ASN 45 -9.380 -21.466 -4.345 353 HB3 ASN 45 HB2 ASN 45 -10.099 -21.568 -2.737 354 HD21 ASN 45 HD21 ASN 45 -12.174 -22.418 -2.989 355 HD22 ASN 45 HD22 ASN 45 -13.290 -21.922 -4.168 356 H ASP 46 H ASP 46 -10.374 -17.549 -1.988 357 HA ASP 46 HA ASP 46 -9.226 -18.731 0.522 358 HB2 ASP 46 HB3 ASP 46 -8.734 -16.337 1.094 359 HB3 ASP 46 HB2 ASP 46 -7.902 -16.880 -0.364 360 H LYS 47 H LYS 47 -10.409 -18.259 2.475 361 HA LYS 47 HA LYS 47 -13.209 -17.271 2.024 362 HB2 LYS 47 HB3 LYS 47 -12.423 -19.284 4.126 363 HB3 LYS 47 HB2 LYS 47 -13.989 -19.054 3.352 364 HG2 LYS 47 HG3 LYS 47 -11.494 -20.202 2.065 365 HG3 LYS 47 HG2 LYS 47 -12.962 -21.087 2.480 366 HD2 LYS 47 HD3 LYS 47 -13.394 -18.706 0.787 367 HD3 LYS 47 HD2 LYS 47 -12.476 -20.001 0.019 368 HE2 LYS 47 HE3 LYS 47 -14.242 -21.602 0.429 369 HE3 LYS 47 HE2 LYS 47 -15.125 -20.439 1.438 370 HZ1 LYS 47 HZ1 LYS 47 -16.111 -20.132 -0.612 371 HZ2 LYS 47 HZ2 LYS 47 -14.670 -20.396 -1.474 372 HZ3 LYS 47 HZ3 LYS 47 -14.908 -18.936 -0.638 373 H TRP 48 H TRP 48 -13.817 -17.464 4.862 374 HA TRP 48 HA TRP 48 -12.481 -14.980 5.767 375 HB2 TRP 48 HB3 TRP 48 -14.268 -15.110 7.515 376 HB3 TRP 48 HB2 TRP 48 -14.918 -15.191 5.878 377 HD1 TRP 48 HD1 TRP 48 -13.591 -17.788 8.440 378 HE1 TRP 48 HE1 TRP 48 -15.194 -19.807 8.425 379 HE3 TRP 48 HE3 TRP 48 -16.933 -16.233 4.908 380 HZ2 TRP 48 HZ2 TRP 48 -17.581 -20.650 7.091 381 HZ3 TRP 48 HZ3 TRP 48 -18.859 -17.661 4.284 382 HH2 TRP 48 HH2 TRP 48 -19.187 -19.865 5.370 383 H THR 49 H THR 49 -11.523 -18.051 5.851 384 HA THR 49 HA THR 49 -10.325 -17.783 8.583 385 HB THR 49 HB THR 49 -10.680 -20.484 8.268 386 HG1 THR 49 HG1 THR 49 -12.314 -20.862 7.017 387 HG21 THR 49 HG21 THR 49 -11.806 -18.337 9.810 388 HG22 THR 49 HG22 THR 49 -11.614 -20.033 10.257 389 HG23 THR 49 HG23 THR 49 -13.073 -19.501 9.422 390 H ARG 50 H ARG 50 -8.390 -19.306 8.791 391 HA ARG 50 HA ARG 50 -6.208 -19.780 7.973 392 HB2 ARG 50 HB3 ARG 50 -8.282 -21.132 6.282 393 HB3 ARG 50 HB2 ARG 50 -6.592 -21.276 5.800 394 HG2 ARG 50 HG3 ARG 50 -6.044 -22.570 7.603 395 HG3 ARG 50 HG2 ARG 50 -7.152 -21.717 8.679 396 HD2 ARG 50 HD3 ARG 50 -8.815 -23.225 8.313 397 HD3 ARG 50 HD2 ARG 50 -8.542 -23.209 6.560 398 HE ARG 50 HE ARG 50 -7.052 -25.034 6.817 399 HH11 ARG 50 HH11 ARG 50 -7.761 -23.494 9.828 400 HH12 ARG 50 HH12 ARG 50 -6.961 -24.699 10.778 401 HH21 ARG 50 HH21 ARG 50 -6.017 -26.617 8.050 402 HH22 ARG 50 HH22 ARG 50 -5.973 -26.465 9.774 403 H ASN 51 H ASN 51 -5.649 -17.533 7.415 404 HA ASN 51 HA ASN 51 -5.984 -16.839 4.525 405 HB2 ASN 51 HB3 ASN 51 -6.757 -15.354 6.475 406 HB3 ASN 51 HB2 ASN 51 -5.046 -15.072 6.793 407 HD21 ASN 51 HD21 ASN 51 -3.916 -13.629 5.400 408 HD22 ASN 51 HD22 ASN 51 -4.647 -12.834 4.091 409 H ARG 52 H ARG 52 -4.136 -16.250 3.296 410 HA ARG 52 HA ARG 52 -1.594 -17.440 4.199 411 HB2 ARG 52 HB3 ARG 52 -2.168 -17.915 1.965 412 HB3 ARG 52 HB2 ARG 52 -2.763 -16.282 1.675 413 HG2 ARG 52 HG3 ARG 52 -0.616 -16.604 0.536 414 HG3 ARG 52 HG2 ARG 52 -0.438 -15.425 1.836 415 HD2 ARG 52 HD3 ARG 52 0.740 -16.925 3.209 416 HD3 ARG 52 HD2 ARG 52 0.115 -18.348 2.352 417 HE ARG 52 HE ARG 52 1.540 -16.735 0.484 418 HH11 ARG 52 HH11 ARG 52 2.017 -18.714 3.273 419 HH12 ARG 52 HH12 ARG 52 3.629 -19.169 2.834 420 HH21 ARG 52 HH21 ARG 52 3.648 -17.309 -0.091 421 HH22 ARG 52 HH22 ARG 52 4.552 -18.374 0.933 422 HA PRO 53 HA PRO 53 -0.314 -13.463 5.803 423 HB2 PRO 53 HB3 PRO 53 2.296 -14.265 6.280 424 HB3 PRO 53 HB2 PRO 53 0.946 -14.528 7.400 425 HG2 PRO 53 HG3 PRO 53 2.179 -16.402 5.450 426 HG3 PRO 53 HG2 PRO 53 1.578 -16.712 7.088 427 HD2 PRO 53 HD3 PRO 53 0.176 -17.416 4.903 428 HD3 PRO 53 HD2 PRO 53 -0.620 -16.866 6.394 429 H ILE 54 H ILE 54 1.269 -11.834 5.099 430 HA ILE 54 HA ILE 54 1.819 -12.000 2.221 431 HB ILE 54 HB ILE 54 2.306 -9.845 4.304 432 HG12 ILE 54 HG13 ILE 54 -0.041 -10.247 4.215 433 HG13 ILE 54 HG12 ILE 54 0.224 -8.876 3.137 434 HG21 ILE 54 HG21 ILE 54 2.008 -9.435 1.333 435 HG22 ILE 54 HG22 ILE 54 3.582 -9.823 2.028 436 HG23 ILE 54 HG23 ILE 54 2.733 -8.360 2.528 437 HD11 ILE 54 HD11 ILE 54 0.575 -10.889 1.376 438 HD12 ILE 54 HD12 ILE 54 -1.005 -10.169 1.694 439 HD13 ILE 54 HD13 ILE 54 -0.544 -11.674 2.490 440 H VAL 55 H VAL 55 3.830 -12.204 1.312 441 HA VAL 55 HA VAL 55 6.059 -12.898 3.137 442 HB VAL 55 HB VAL 55 5.456 -14.447 1.348 443 HG11 VAL 55 HG11 VAL 55 4.507 -13.447 -0.460 444 HG12 VAL 55 HG12 VAL 55 6.164 -13.272 -1.034 445 HG13 VAL 55 HG13 VAL 55 5.376 -11.936 -0.194 446 HG21 VAL 55 HG21 VAL 55 7.735 -14.683 1.611 447 HG22 VAL 55 HG22 VAL 55 8.058 -12.986 1.258 448 HG23 VAL 55 HG23 VAL 55 7.717 -14.111 -0.057 449 H SER 56 H SER 56 7.964 -11.694 3.220 450 HA SER 56 HA SER 56 8.021 -9.170 1.600 451 HB2 SER 56 HB3 SER 56 9.552 -9.409 4.130 452 HB3 SER 56 HB2 SER 56 8.585 -8.065 3.529 453 HG SER 56 HG SER 56 7.846 -10.305 5.014 454 H THR 57 H THR 57 10.042 -8.542 0.729 455 HA THR 57 HA THR 57 12.072 -10.733 0.627 456 HB THR 57 HB THR 57 12.640 -9.770 -1.549 457 HG1 THR 57 HG1 THR 57 10.735 -7.798 -0.832 458 HG21 THR 57 HG21 THR 57 9.893 -9.580 -2.173 459 HG22 THR 57 HG22 THR 57 10.011 -10.718 -0.830 460 HG23 THR 57 HG23 THR 57 10.924 -11.004 -2.312 461 H LYS 58 H LYS 58 14.238 -10.228 1.123 462 HA LYS 58 HA LYS 58 14.709 -7.471 2.209 463 HB2 LYS 58 HB3 LYS 58 16.344 -8.653 3.687 464 HB3 LYS 58 HB2 LYS 58 14.699 -9.259 3.883 465 HG2 LYS 58 HG3 LYS 58 16.089 -10.669 1.755 466 HG3 LYS 58 HG2 LYS 58 16.970 -10.784 3.279 467 HD2 LYS 58 HD3 LYS 58 14.022 -11.404 2.932 468 HD3 LYS 58 HD2 LYS 58 15.303 -12.612 3.023 469 HE2 LYS 58 HE3 LYS 58 15.869 -11.939 5.288 470 HE3 LYS 58 HE2 LYS 58 14.736 -10.575 5.206 471 HZ1 LYS 58 HZ1 LYS 58 12.920 -12.081 4.890 472 HZ2 LYS 58 HZ2 LYS 58 13.774 -12.580 6.271 473 HZ3 LYS 58 HZ3 LYS 58 13.964 -13.416 4.803 474 H LYS 59 H LYS 59 16.434 -6.337 1.367 475 HA LYS 59 HA LYS 59 18.509 -7.783 -0.204 476 HB2 LYS 59 HB3 LYS 59 16.460 -5.819 -1.172 477 HB3 LYS 59 HB2 LYS 59 18.062 -5.792 -1.909 478 HG2 LYS 59 HG3 LYS 59 17.750 -7.784 -2.966 479 HG3 LYS 59 HG2 LYS 59 16.896 -8.486 -1.592 480 HD2 LYS 59 HD3 LYS 59 15.341 -6.342 -2.766 481 HD3 LYS 59 HD2 LYS 59 15.751 -7.551 -3.983 482 HE2 LYS 59 HE3 LYS 59 14.933 -8.750 -1.428 483 HE3 LYS 59 HE2 LYS 59 13.658 -7.776 -2.185 484 HZ1 LYS 59 HZ1 LYS 59 15.311 -9.609 -3.802 485 HZ2 LYS 59 HZ2 LYS 59 13.768 -8.985 -4.142 486 HZ3 LYS 59 HZ3 LYS 59 13.957 -10.195 -2.965 487 H LEU 60 H LEU 60 20.451 -6.996 0.491 488 HA LEU 60 HA LEU 60 20.535 -4.241 1.662 489 HB2 LEU 60 HB3 LEU 60 22.512 -5.137 2.864 490 HB3 LEU 60 HB2 LEU 60 21.086 -6.136 3.143 491 HG LEU 60 HG LEU 60 22.282 -7.156 0.804 492 HD11 LEU 60 HD11 LEU 60 24.346 -6.923 3.003 493 HD12 LEU 60 HD12 LEU 60 24.301 -5.817 1.629 494 HD13 LEU 60 HD13 LEU 60 24.569 -7.540 1.366 495 HD21 LEU 60 HD21 LEU 60 21.284 -8.046 3.257 496 HD22 LEU 60 HD22 LEU 60 22.961 -8.591 3.254 497 HD23 LEU 60 HD23 LEU 60 21.878 -9.066 1.946 498 H ASP 61 H ASP 61 21.912 -2.735 0.740 499 HA ASP 61 HA ASP 61 23.285 -3.500 -1.776 500 HB2 ASP 61 HB3 ASP 61 22.215 -1.068 -0.451 501 HB3 ASP 61 HB2 ASP 61 23.639 -0.820 -1.462 502 H LYS 62 H LYS 62 25.400 -1.833 -1.914 503 HA LYS 62 HA LYS 62 27.435 -3.071 -0.333 504 HB2 LYS 62 HB3 LYS 62 28.771 -1.093 -1.259 505 HB3 LYS 62 HB2 LYS 62 27.938 -2.080 -2.459 506 HG2 LYS 62 HG3 LYS 62 26.574 -0.381 -3.070 507 HG3 LYS 62 HG2 LYS 62 26.261 0.075 -1.394 508 HD2 LYS 62 HD3 LYS 62 28.138 1.473 -1.285 509 HD3 LYS 62 HD2 LYS 62 28.932 0.673 -2.643 510 HE2 LYS 62 HE3 LYS 62 27.180 1.587 -4.173 511 HE3 LYS 62 HE2 LYS 62 26.486 2.470 -2.798 512 HZ1 LYS 62 HZ1 LYS 62 28.010 3.951 -3.775 513 HZ2 LYS 62 HZ2 LYS 62 29.195 2.749 -3.966 514 HZ3 LYS 62 HZ3 LYS 62 28.814 3.332 -2.416 515 H GLU 63 H GLU 63 25.239 -0.514 0.398 516 HA GLU 63 HA GLU 63 26.934 0.762 2.436 517 HB2 GLU 63 HB3 GLU 63 24.074 1.007 1.479 518 HB3 GLU 63 HB2 GLU 63 24.682 1.947 2.844 519 HG2 GLU 63 HG3 GLU 63 26.658 2.314 0.957 520 HG3 GLU 63 HG2 GLU 63 25.197 2.277 -0.031 521 H GLY 64 H GLY 64 24.965 -2.017 2.286 522 HA2 GLY 64 HA3 GLY 64 24.623 -3.577 4.055 523 HA3 GLY 64 HA2 GLY 64 25.154 -2.348 5.205 524 H ARG 65 H ARG 65 22.929 -1.002 3.081 525 HA ARG 65 HA ARG 65 20.860 -0.945 5.181 526 HB2 ARG 65 HB3 ARG 65 21.817 0.813 3.313 527 HB3 ARG 65 HB2 ARG 65 20.363 0.224 2.506 528 HG2 ARG 65 HG3 ARG 65 19.368 0.617 4.989 529 HG3 ARG 65 HG2 ARG 65 20.628 1.852 4.978 530 HD2 ARG 65 HD3 ARG 65 18.924 1.670 2.535 531 HD3 ARG 65 HD2 ARG 65 18.175 2.345 3.995 532 HE ARG 65 HE ARG 65 20.312 3.590 2.461 533 HH11 ARG 65 HH11 ARG 65 18.915 3.132 5.587 534 HH12 ARG 65 HH12 ARG 65 19.536 4.618 6.223 535 HH21 ARG 65 HH21 ARG 65 21.125 5.529 3.281 536 HH22 ARG 65 HH22 ARG 65 20.785 5.974 4.920 537 H THR 66 H THR 66 19.270 -2.484 5.231 538 HA THR 66 HA THR 66 18.824 -4.228 2.889 539 HB THR 66 HB THR 66 17.739 -4.130 5.721 540 HG1 THR 66 HG1 THR 66 19.574 -5.060 6.058 541 HG21 THR 66 HG21 THR 66 17.115 -6.579 5.054 542 HG22 THR 66 HG22 THR 66 17.172 -5.958 3.403 543 HG23 THR 66 HG23 THR 66 16.046 -5.262 4.569 544 H HIS 67 H HIS 67 17.061 -4.063 1.539 545 HA HIS 67 HA HIS 67 15.041 -1.939 2.161 546 HB2 HIS 67 HB3 HIS 67 15.853 -3.256 -0.453 547 HB3 HIS 67 HB2 HIS 67 14.762 -1.880 -0.284 548 HD1 HIS 67 HD1 HIS 67 18.232 -2.643 -0.870 549 HD2 HIS 67 HD2 HIS 67 16.196 0.396 1.129 550 HE1 HIS 67 HE1 HIS 67 19.875 -0.732 -0.608 551 H HIS 68 H HIS 68 12.803 -2.456 1.915 552 HA HIS 68 HA HIS 68 12.200 -5.392 1.745 553 HB2 HIS 68 HB3 HIS 68 11.222 -3.128 3.460 554 HB3 HIS 68 HB2 HIS 68 10.160 -4.504 3.162 555 HD1 HIS 68 HD1 HIS 68 12.655 -3.413 5.471 556 HD2 HIS 68 HD2 HIS 68 11.725 -7.086 3.731 557 HE1 HIS 68 HE1 HIS 68 13.726 -5.187 6.927 558 H TYR 69 H TYR 69 10.515 -6.001 0.371 559 HA TYR 69 HA TYR 69 9.121 -3.796 -1.119 560 HB2 TYR 69 HB3 TYR 69 10.236 -6.462 -2.038 561 HB3 TYR 69 HB2 TYR 69 9.198 -5.450 -3.039 562 HD1 TYR 69 HD1 TYR 69 12.405 -5.440 -1.127 563 HD2 TYR 69 HD2 TYR 69 10.085 -3.635 -4.258 564 HE1 TYR 69 HE1 TYR 69 14.371 -4.087 -1.806 565 HE2 TYR 69 HE2 TYR 69 12.049 -2.282 -4.936 566 HH TYR 69 HH TYR 69 14.449 -2.307 -4.752 567 H MET 70 H MET 70 6.952 -3.870 -0.676 568 HA MET 70 HA MET 70 5.673 -6.558 -0.317 569 HB2 MET 70 HB3 MET 70 6.183 -5.224 1.809 570 HB3 MET 70 HB2 MET 70 4.990 -4.055 1.244 571 HG2 MET 70 HG3 MET 70 3.220 -5.485 1.586 572 HG3 MET 70 HG2 MET 70 4.182 -6.925 1.253 573 HE1 MET 70 HE1 MET 70 6.022 -7.931 3.999 574 HE2 MET 70 HE2 MET 70 5.303 -8.136 2.403 575 HE3 MET 70 HE3 MET 70 4.391 -8.597 3.838 576 H ARG 71 H ARG 71 3.801 -6.780 -1.523 577 HA ARG 71 HA ARG 71 2.441 -4.308 -2.506 578 HB2 ARG 71 HB3 ARG 71 2.593 -5.056 -4.768 579 HB3 ARG 71 HB2 ARG 71 4.205 -5.295 -4.096 580 HG2 ARG 71 HG3 ARG 71 3.348 -7.682 -3.496 581 HG3 ARG 71 HG2 ARG 71 2.087 -7.354 -4.684 582 HD2 ARG 71 HD3 ARG 71 3.551 -7.433 -6.458 583 HD3 ARG 71 HD2 ARG 71 4.888 -6.746 -5.515 584 HE ARG 71 HE ARG 71 4.089 -9.365 -4.535 585 HH11 ARG 71 HH11 ARG 71 5.929 -7.632 -6.888 586 HH12 ARG 71 HH12 ARG 71 7.066 -8.915 -7.133 587 HH21 ARG 71 HH21 ARG 71 5.568 -11.043 -4.842 588 HH22 ARG 71 HH22 ARG 71 6.862 -10.844 -5.977 589 H PHE 72 H PHE 72 0.207 -4.580 -2.807 590 HA PHE 72 HA PHE 72 -1.005 -7.266 -2.709 591 HB2 PHE 72 HB3 PHE 72 -2.366 -6.495 -0.663 592 HB3 PHE 72 HB2 PHE 72 -0.679 -6.917 -0.369 593 HD1 PHE 72 HD1 PHE 72 0.636 -5.412 0.830 594 HD2 PHE 72 HD2 PHE 72 -2.751 -3.951 -1.372 595 HE1 PHE 72 HE1 PHE 72 1.052 -3.128 1.703 596 HE2 PHE 72 HE2 PHE 72 -2.334 -1.668 -0.498 597 HZ PHE 72 HZ PHE 72 -0.433 -1.256 1.039 598 H HIS 73 H HIS 73 -3.386 -7.115 -3.073 599 HA HIS 73 HA HIS 73 -4.055 -4.684 -4.667 600 HB2 HIS 73 HB3 HIS 73 -5.460 -7.364 -4.463 601 HB3 HIS 73 HB2 HIS 73 -5.675 -6.147 -5.721 602 HD1 HIS 73 HD1 HIS 73 -4.570 -6.958 -7.795 603 HD2 HIS 73 HD2 HIS 73 -2.320 -7.881 -4.411 604 HE1 HIS 73 HE1 HIS 73 -2.453 -8.073 -8.625 605 H VAL 74 H VAL 74 -6.229 -3.764 -4.422 606 HA VAL 74 HA VAL 74 -7.408 -4.203 -1.697 607 HB VAL 74 HB VAL 74 -7.131 -1.652 -3.328 608 HG11 VAL 74 HG11 VAL 74 -7.881 -0.584 -1.177 609 HG12 VAL 74 HG12 VAL 74 -8.235 -2.196 -0.557 610 HG13 VAL 74 HG13 VAL 74 -9.123 -1.572 -1.947 611 HG21 VAL 74 HG21 VAL 74 -5.165 -2.955 -1.915 612 HG22 VAL 74 HG22 VAL 74 -5.835 -1.882 -0.687 613 HG23 VAL 74 HG23 VAL 74 -5.206 -1.214 -2.193 614 H GLU 75 H GLU 75 -9.574 -4.724 -1.754 615 HA GLU 75 HA GLU 75 -10.982 -4.487 -4.384 616 HB2 GLU 75 HB3 GLU 75 -10.567 -6.587 -2.635 617 HB3 GLU 75 HB2 GLU 75 -12.200 -6.065 -2.222 618 HG2 GLU 75 HG3 GLU 75 -12.973 -6.374 -4.457 619 HG3 GLU 75 HG2 GLU 75 -11.331 -6.528 -5.080 620 H SER 76 H SER 76 -12.393 -2.803 -4.508 621 HA SER 76 HA SER 76 -13.725 -1.861 -1.992 622 HB2 SER 76 HB3 SER 76 -13.718 0.299 -2.995 623 HB3 SER 76 HB2 SER 76 -12.148 -0.381 -3.412 624 HG SER 76 HG SER 76 -12.726 -0.442 -5.438 625 H LYS 77 H LYS 77 -15.980 -0.832 -2.591 626 HA LYS 77 HA LYS 77 -17.556 -2.905 -3.913 627 HB2 LYS 77 HB3 LYS 77 -18.799 -2.107 -2.198 628 HB3 LYS 77 HB2 LYS 77 -17.854 -0.624 -2.107 629 HG2 LYS 77 HG3 LYS 77 -20.148 -0.086 -2.678 630 HG3 LYS 77 HG2 LYS 77 -19.111 0.255 -4.060 631 HD2 LYS 77 HD3 LYS 77 -20.500 -1.051 -5.276 632 HD3 LYS 77 HD2 LYS 77 -19.838 -2.423 -4.387 633 HE2 LYS 77 HE3 LYS 77 -21.632 -1.604 -2.559 634 HE3 LYS 77 HE2 LYS 77 -22.447 -1.021 -4.024 635 HZ1 LYS 77 HZ1 LYS 77 -22.653 -3.103 -4.863 636 HZ2 LYS 77 HZ2 LYS 77 -22.646 -3.526 -3.219 637 HZ3 LYS 77 HZ3 LYS 77 -21.227 -3.669 -4.142 638 H LYS 78 H LYS 78 -16.072 0.082 -4.816 639 HA LYS 78 HA LYS 78 -17.857 0.476 -7.154 640 HB2 LYS 78 HB3 LYS 78 -15.385 2.011 -6.306 641 HB3 LYS 78 HB2 LYS 78 -16.709 2.584 -7.323 642 HG2 LYS 78 HG3 LYS 78 -17.963 1.728 -4.976 643 HG3 LYS 78 HG2 LYS 78 -16.504 2.546 -4.417 644 HD2 LYS 78 HD3 LYS 78 -17.192 4.592 -5.184 645 HD3 LYS 78 HD2 LYS 78 -18.012 3.904 -6.588 646 HE2 LYS 78 HE3 LYS 78 -19.848 3.103 -5.120 647 HE3 LYS 78 HE2 LYS 78 -19.036 3.840 -3.724 648 HZ1 LYS 78 HZ1 LYS 78 -20.777 5.176 -5.190 649 HZ2 LYS 78 HZ2 LYS 78 -19.380 5.499 -6.102 650 HZ3 LYS 78 HZ3 LYS 78 -19.446 5.932 -4.461 651 H LYS 79 H LYS 79 -14.627 -0.705 -6.363 652 HA LYS 79 HA LYS 79 -14.319 -2.056 -8.882 653 HB2 LYS 79 HB3 LYS 79 -13.900 0.731 -8.918 654 HB3 LYS 79 HB2 LYS 79 -12.289 0.011 -8.964 655 HG2 LYS 79 HG3 LYS 79 -13.157 -1.516 -10.807 656 HG3 LYS 79 HG2 LYS 79 -14.591 -0.490 -10.862 657 HD2 LYS 79 HD3 LYS 79 -11.754 0.529 -11.191 658 HD3 LYS 79 HD2 LYS 79 -12.843 0.174 -12.532 659 HE2 LYS 79 HE3 LYS 79 -14.339 1.924 -11.930 660 HE3 LYS 79 HE2 LYS 79 -13.626 2.081 -10.312 661 HZ1 LYS 79 HZ1 LYS 79 -12.743 3.793 -11.746 662 HZ2 LYS 79 HZ2 LYS 79 -12.266 2.639 -12.896 663 HZ3 LYS 79 HZ3 LYS 79 -11.513 2.686 -11.374 664 H ILE 80 H ILE 80 -11.697 -2.352 -9.200 665 HA ILE 80 HA ILE 80 -10.655 -3.128 -6.493 666 HB ILE 80 HB ILE 80 -10.288 -4.300 -9.267 667 HG12 ILE 80 HG13 ILE 80 -11.623 -5.328 -6.742 668 HG13 ILE 80 HG12 ILE 80 -12.437 -4.850 -8.232 669 HG21 ILE 80 HG21 ILE 80 -9.295 -5.980 -7.168 670 HG22 ILE 80 HG22 ILE 80 -8.540 -4.393 -7.018 671 HG23 ILE 80 HG23 ILE 80 -8.409 -5.292 -8.529 672 HD11 ILE 80 HD11 ILE 80 -10.994 -6.619 -9.404 673 HD12 ILE 80 HD12 ILE 80 -12.275 -7.222 -8.351 674 HD13 ILE 80 HD13 ILE 80 -10.604 -7.211 -7.789 675 H ALA 81 H ALA 81 -8.484 -2.574 -6.021 676 HA ALA 81 HA ALA 81 -7.052 -0.958 -8.105 677 HB1 ALA 81 HB1 ALA 81 -6.271 0.323 -5.957 678 HB2 ALA 81 HB2 ALA 81 -7.678 -0.432 -5.209 679 HB3 ALA 81 HB3 ALA 81 -7.884 0.638 -6.596 680 H LEU 82 H LEU 82 -4.707 -0.979 -7.876 681 HA LEU 82 HA LEU 82 -3.686 -3.387 -6.408 682 HB2 LEU 82 HB3 LEU 82 -3.619 -3.284 -8.950 683 HB3 LEU 82 HB2 LEU 82 -2.498 -1.932 -8.792 684 HG LEU 82 HG LEU 82 -1.398 -4.198 -9.093 685 HD11 LEU 82 HD11 LEU 82 -0.650 -3.107 -6.399 686 HD12 LEU 82 HD12 LEU 82 -0.496 -2.066 -7.815 687 HD13 LEU 82 HD13 LEU 82 0.393 -3.587 -7.737 688 HD21 LEU 82 HD21 LEU 82 -3.192 -5.197 -7.441 689 HD22 LEU 82 HD22 LEU 82 -2.051 -4.683 -6.199 690 HD23 LEU 82 HD23 LEU 82 -1.548 -5.837 -7.435 691 H VAL 83 H VAL 83 -2.258 -2.935 -4.746 692 HA VAL 83 HA VAL 83 -1.095 -0.171 -4.661 693 HB VAL 83 HB VAL 83 -1.931 -2.131 -2.508 694 HG11 VAL 83 HG11 VAL 83 -0.007 -1.051 -1.625 695 HG12 VAL 83 HG12 VAL 83 -1.368 -0.121 -0.998 696 HG13 VAL 83 HG13 VAL 83 -0.435 0.492 -2.364 697 HG21 VAL 83 HG21 VAL 83 -2.956 0.568 -3.433 698 HG22 VAL 83 HG22 VAL 83 -3.465 -0.198 -1.927 699 HG23 VAL 83 HG23 VAL 83 -3.815 -0.972 -3.473 700 H HIS 84 H HIS 84 1.082 -0.057 -4.814 701 HA HIS 84 HA HIS 84 2.731 -2.422 -3.982 702 HB2 HIS 84 HB3 HIS 84 2.282 -1.737 -6.545 703 HB3 HIS 84 HB2 HIS 84 3.607 -0.623 -6.203 704 HD1 HIS 84 HD1 HIS 84 5.425 -2.241 -4.440 705 HD2 HIS 84 HD2 HIS 84 3.511 -3.902 -7.750 706 HE1 HIS 84 HE1 HIS 84 6.764 -4.290 -5.086 707 H LEU 85 H LEU 85 4.532 -1.843 -2.715 708 HA LEU 85 HA LEU 85 5.313 1.030 -2.598 709 HB2 LEU 85 HB3 LEU 85 4.878 1.147 -0.235 710 HB3 LEU 85 HB2 LEU 85 3.429 0.470 -0.979 711 HG LEU 85 HG LEU 85 4.632 -1.831 -0.529 712 HD11 LEU 85 HD11 LEU 85 6.430 -1.818 0.841 713 HD12 LEU 85 HD12 LEU 85 5.667 -0.679 1.950 714 HD13 LEU 85 HD13 LEU 85 6.522 -0.085 0.527 715 HD21 LEU 85 HD21 LEU 85 3.232 -0.080 1.503 716 HD22 LEU 85 HD22 LEU 85 3.634 -1.764 1.840 717 HD23 LEU 85 HD23 LEU 85 2.541 -1.367 0.515 718 H GLU 86 H GLU 86 7.408 1.352 -1.659 719 HA GLU 86 HA GLU 86 9.020 -1.145 -1.236 720 HB2 GLU 86 HB3 GLU 86 9.196 0.477 -3.375 721 HB3 GLU 86 HB2 GLU 86 10.242 1.377 -2.277 722 HG2 GLU 86 HG3 GLU 86 11.415 -0.864 -1.820 723 HG3 GLU 86 HG2 GLU 86 10.558 -1.468 -3.239 724 H ALA 87 H ALA 87 10.219 -1.128 0.678 725 HA ALA 87 HA ALA 87 10.350 1.475 2.171 726 HB1 ALA 87 HB1 ALA 87 10.069 -1.326 3.294 727 HB2 ALA 87 HB2 ALA 87 8.701 -0.259 2.975 728 HB3 ALA 87 HB3 ALA 87 9.911 0.192 4.178 729 H LYS 88 H LYS 88 12.236 1.776 3.490 730 HA LYS 88 HA LYS 88 14.501 -0.122 2.969 731 HB2 LYS 88 HB3 LYS 88 15.882 2.048 2.881 732 HB3 LYS 88 HB2 LYS 88 14.823 1.740 1.504 733 HG2 LYS 88 HG3 LYS 88 13.179 3.278 2.299 734 HG3 LYS 88 HG2 LYS 88 13.950 3.390 3.882 735 HD2 LYS 88 HD3 LYS 88 15.295 4.255 1.310 736 HD3 LYS 88 HD2 LYS 88 14.404 5.359 2.358 737 HE2 LYS 88 HE3 LYS 88 16.441 3.652 3.702 738 HE3 LYS 88 HE2 LYS 88 17.057 4.940 2.647 739 HZ1 LYS 88 HZ1 LYS 88 15.108 5.224 4.869 740 HZ2 LYS 88 HZ2 LYS 88 15.449 6.457 3.751 741 HZ3 LYS 88 HZ3 LYS 88 16.667 5.886 4.789 742 H GLU 89 H GLU 89 15.873 -0.430 4.768 743 HA GLU 89 HA GLU 89 14.808 0.500 7.364 744 HB2 GLU 89 HB3 GLU 89 16.199 -1.242 8.242 745 HB3 GLU 89 HB2 GLU 89 15.524 -1.871 6.739 746 HG2 GLU 89 HG3 GLU 89 17.680 -2.340 6.206 747 HG3 GLU 89 HG2 GLU 89 17.799 -0.618 5.845 748 H SER 90 H SER 90 15.840 1.950 8.697 749 HA SER 90 HA SER 90 18.529 2.986 7.859 750 HB2 SER 90 HB3 SER 90 16.533 4.795 9.140 751 HB3 SER 90 HB2 SER 90 17.714 5.147 7.881 752 HG SER 90 HG SER 90 15.141 4.061 7.702 753 H LYS 91 H LYS 91 19.867 3.652 9.661 754 HA LYS 91 HA LYS 91 19.979 2.178 11.970 755 HB2 LYS 91 HB3 LYS 91 21.180 4.112 12.942 756 HB3 LYS 91 HB2 LYS 91 21.613 3.891 11.247 757 HG2 LYS 91 HG3 LYS 91 21.117 6.111 11.082 758 HG3 LYS 91 HG2 LYS 91 19.452 5.538 11.008 759 HD2 LYS 91 HD3 LYS 91 19.795 7.351 12.703 760 HD3 LYS 91 HD2 LYS 91 19.182 5.854 13.404 761 HE2 LYS 91 HE3 LYS 91 21.073 5.522 14.633 762 HE3 LYS 91 HE2 LYS 91 22.132 6.022 13.299 763 HZ1 LYS 91 HZ1 LYS 91 21.575 7.549 15.455 764 HZ2 LYS 91 HZ2 LYS 91 20.442 8.125 14.328 765 HZ3 LYS 91 HZ3 LYS 91 22.100 8.150 13.959 766 H GLN 92 H GLN 92 18.782 1.995 13.850 767 HA GLN 92 HA GLN 92 16.937 2.322 15.303 768 HB2 GLN 92 HB3 GLN 92 18.662 4.348 15.469 769 HB3 GLN 92 HB2 GLN 92 17.294 5.258 14.828 770 HG2 GLN 92 HG3 GLN 92 16.311 5.267 16.850 771 HG3 GLN 92 HG2 GLN 92 16.360 3.505 16.905 772 HE21 GLN 92 HE21 GLN 92 17.399 2.843 18.784 773 HE22 GLN 92 HE22 GLN 92 18.773 3.580 19.453 774 H ASN 93 H ASN 93 15.278 4.848 15.077 775 HA ASN 93 HA ASN 93 13.379 5.627 13.895 776 HB2 ASN 93 HB3 ASN 93 15.338 5.109 12.038 777 HB3 ASN 93 HB2 ASN 93 14.020 4.088 11.459 778 HD21 ASN 93 HD21 ASN 93 14.169 7.386 12.947 779 HD22 ASN 93 HD22 ASN 93 13.204 8.118 11.757 780 H TYR 94 H TYR 94 13.872 2.582 14.908 781 HA TYR 94 HA TYR 94 12.370 0.788 15.281 782 HB2 TYR 94 HB3 TYR 94 10.874 2.960 15.358 783 HB3 TYR 94 HB2 TYR 94 10.278 2.370 13.807 784 HD1 TYR 94 HD1 TYR 94 8.326 1.119 13.927 785 HD2 TYR 94 HD2 TYR 94 11.167 0.870 17.139 786 HE1 TYR 94 HE1 TYR 94 6.857 -0.496 15.101 787 HE2 TYR 94 HE2 TYR 94 9.697 -0.747 18.314 788 HH TYR 94 HH TYR 94 6.700 -1.127 17.918 789 H GLN 95 H GLN 95 10.089 0.643 13.072 790 HA GLN 95 HA GLN 95 11.442 -1.289 11.401 791 HB2 GLN 95 HB3 GLN 95 8.750 -0.014 11.655 792 HB3 GLN 95 HB2 GLN 95 9.115 -0.862 10.152 793 HG2 GLN 95 HG3 GLN 95 9.487 -2.919 11.273 794 HG3 GLN 95 HG2 GLN 95 9.613 -2.132 12.847 795 HE21 GLN 95 HE21 GLN 95 7.807 -2.877 13.999 796 HE22 GLN 95 HE22 GLN 95 6.211 -2.821 13.424 797 HA PRO 96 HA PRO 96 13.136 1.000 8.083 798 HB2 PRO 96 HB3 PRO 96 11.385 -0.592 6.264 799 HB3 PRO 96 HB2 PRO 96 13.147 -0.383 6.234 800 HG2 PRO 96 HG3 PRO 96 11.977 -2.638 7.107 801 HG3 PRO 96 HG2 PRO 96 13.508 -2.038 7.762 802 HD2 PRO 96 HD3 PRO 96 10.829 -2.082 8.996 803 HD3 PRO 96 HD2 PRO 96 12.433 -2.040 9.761 804 H ASP 97 H ASP 97 12.475 2.577 6.397 805 HA ASP 97 HA ASP 97 9.728 3.628 6.896 806 HB2 ASP 97 HB3 ASP 97 12.418 4.747 6.196 807 HB3 ASP 97 HB2 ASP 97 10.986 5.645 5.691 808 H PHE 98 H PHE 98 8.536 4.424 5.032 809 HA PHE 98 HA PHE 98 8.912 2.741 2.636 810 HB2 PHE 98 HB3 PHE 98 6.810 4.763 3.479 811 HB3 PHE 98 HB2 PHE 98 6.683 3.708 2.071 812 HD1 PHE 98 HD1 PHE 98 6.974 3.731 5.784 813 HD2 PHE 98 HD2 PHE 98 6.028 1.431 2.285 814 HE1 PHE 98 HE1 PHE 98 6.088 1.914 7.220 815 HE2 PHE 98 HE2 PHE 98 5.141 -0.388 3.720 816 HZ PHE 98 HZ PHE 98 5.172 -0.146 6.187 817 H ILE 99 H ILE 99 9.625 3.518 0.666 818 HA ILE 99 HA ILE 99 10.222 6.453 0.485 819 HB ILE 99 HB ILE 99 11.982 5.494 -1.205 820 HG12 ILE 99 HG13 ILE 99 11.452 3.051 0.515 821 HG13 ILE 99 HG12 ILE 99 10.967 3.197 -1.175 822 HG21 ILE 99 HG21 ILE 99 12.414 6.509 1.068 823 HG22 ILE 99 HG22 ILE 99 13.590 5.288 0.580 824 HG23 ILE 99 HG23 ILE 99 12.327 4.881 1.741 825 HD11 ILE 99 HD11 ILE 99 13.432 2.272 -0.242 826 HD12 ILE 99 HD12 ILE 99 13.767 3.913 -0.794 827 HD13 ILE 99 HD13 ILE 99 13.054 2.739 -1.901 828 H ASN 100 H ASN 100 8.446 3.845 -0.833 829 HA ASN 100 HA ASN 100 7.569 5.570 -3.091 830 HB2 ASN 100 HB3 ASN 100 8.569 2.715 -3.366 831 HB3 ASN 100 HB2 ASN 100 7.950 3.721 -4.676 832 HD21 ASN 100 HD21 ASN 100 9.189 5.995 -4.765 833 HD22 ASN 100 HD22 ASN 100 10.876 5.896 -4.615 834 H MET 101 H MET 101 5.364 5.474 -3.193 835 HA MET 101 HA MET 101 3.952 2.950 -2.526 836 HB2 MET 101 HB3 MET 101 4.335 4.366 -0.443 837 HB3 MET 101 HB2 MET 101 3.308 5.592 -1.184 838 HG2 MET 101 HG3 MET 101 1.609 4.483 -0.161 839 HG3 MET 101 HG2 MET 101 1.775 3.341 -1.495 840 HE1 MET 101 HE1 MET 101 1.529 0.661 -0.404 841 HE2 MET 101 HE2 MET 101 0.485 2.035 -0.053 842 HE3 MET 101 HE3 MET 101 1.043 1.005 1.261 843 H TYR 102 H TYR 102 2.655 2.718 -4.328 844 HA TYR 102 HA TYR 102 0.975 5.034 -5.141 845 HB2 TYR 102 HB3 TYR 102 1.695 4.807 -7.470 846 HB3 TYR 102 HB2 TYR 102 3.105 5.076 -6.446 847 HD1 TYR 102 HD1 TYR 102 1.046 2.296 -7.893 848 HD2 TYR 102 HD2 TYR 102 4.918 3.606 -6.572 849 HE1 TYR 102 HE1 TYR 102 2.039 0.172 -8.698 850 HE2 TYR 102 HE2 TYR 102 5.911 1.481 -7.377 851 HH TYR 102 HH TYR 102 4.401 -1.174 -7.885 852 H VAL 103 H VAL 103 -0.948 4.374 -6.249 853 HA VAL 103 HA VAL 103 -1.454 1.419 -6.188 854 HB VAL 103 HB VAL 103 -3.402 3.714 -5.803 855 HG11 VAL 103 HG11 VAL 103 -4.888 1.957 -4.960 856 HG12 VAL 103 HG12 VAL 103 -3.629 0.747 -5.209 857 HG13 VAL 103 HG13 VAL 103 -4.360 1.558 -6.594 858 HG21 VAL 103 HG21 VAL 103 -1.639 2.212 -3.906 859 HG22 VAL 103 HG22 VAL 103 -3.264 2.635 -3.369 860 HG23 VAL 103 HG23 VAL 103 -2.141 3.901 -3.867 861 H ASP 104 H ASP 104 -2.635 0.552 -7.962 862 HA ASP 104 HA ASP 104 -3.004 2.419 -10.284 863 HB2 ASP 104 HB3 ASP 104 -1.697 -0.231 -9.926 864 HB3 ASP 104 HB2 ASP 104 -2.598 -0.001 -11.425 865 H VAL 105 H VAL 105 -5.128 2.556 -10.881 866 HA VAL 105 HA VAL 105 -6.988 0.357 -10.078 867 HB VAL 105 HB VAL 105 -7.514 3.200 -11.006 868 HG11 VAL 105 HG11 VAL 105 -9.738 2.834 -10.034 869 HG12 VAL 105 HG12 VAL 105 -9.278 1.197 -9.562 870 HG13 VAL 105 HG13 VAL 105 -9.411 1.619 -11.269 871 HG21 VAL 105 HG21 VAL 105 -7.607 2.142 -8.171 872 HG22 VAL 105 HG22 VAL 105 -7.662 3.823 -8.705 873 HG23 VAL 105 HG23 VAL 105 -6.164 2.902 -8.845 874 HA PRO 106 HA PRO 106 -7.025 -0.867 -14.350 875 HB2 PRO 106 HB3 PRO 106 -9.566 -2.210 -13.703 876 HB3 PRO 106 HB2 PRO 106 -8.027 -2.918 -14.225 877 HG2 PRO 106 HG3 PRO 106 -8.996 -3.161 -11.710 878 HG3 PRO 106 HG2 PRO 106 -7.270 -3.175 -12.098 879 HD2 PRO 106 HD3 PRO 106 -8.912 -1.025 -10.878 880 HD3 PRO 106 HD2 PRO 106 -7.196 -1.421 -10.636 881 H GLY 107 H GLY 107 -7.808 0.386 -16.004 882 HA2 GLY 107 HA3 GLY 107 -9.430 1.497 -17.332 883 HA3 GLY 107 HA2 GLY 107 -10.638 1.152 -16.094 884 H GLU 108 H GLU 108 -8.381 2.336 -14.197 885 HA GLU 108 HA GLU 108 -9.202 5.187 -14.645 886 HB2 GLU 108 HB3 GLU 108 -9.555 3.384 -12.471 887 HB3 GLU 108 HB2 GLU 108 -8.388 4.598 -11.947 888 HG2 GLU 108 HG3 GLU 108 -10.365 6.030 -13.344 889 HG3 GLU 108 HG2 GLU 108 -11.244 4.872 -12.343 890 H LYS 109 H LYS 109 -7.577 6.779 -13.767 891 HA LYS 109 HA LYS 109 -4.885 6.098 -14.659 892 HB2 LYS 109 HB3 LYS 109 -4.491 8.429 -14.316 893 HB3 LYS 109 HB2 LYS 109 -6.171 8.316 -14.839 894 HG2 LYS 109 HG3 LYS 109 -6.782 8.232 -12.351 895 HG3 LYS 109 HG2 LYS 109 -5.120 8.736 -12.037 896 HD2 LYS 109 HD3 LYS 109 -7.104 10.228 -13.780 897 HD3 LYS 109 HD2 LYS 109 -6.636 10.688 -12.142 898 HE2 LYS 109 HE3 LYS 109 -4.376 11.146 -12.814 899 HE3 LYS 109 HE2 LYS 109 -4.624 10.377 -14.394 900 HZ1 LYS 109 HZ1 LYS 109 -5.077 12.507 -14.988 901 HZ2 LYS 109 HZ2 LYS 109 -5.555 12.971 -13.425 902 HZ3 LYS 109 HZ3 LYS 109 -6.622 12.098 -14.419 903 H ARG 110 H ARG 110 -3.074 5.722 -13.355 904 HA ARG 110 HA ARG 110 -3.554 4.791 -10.637 905 HB2 ARG 110 HB3 ARG 110 -1.172 4.224 -10.765 906 HB3 ARG 110 HB2 ARG 110 -1.966 3.785 -12.278 907 HG2 ARG 110 HG3 ARG 110 -1.196 5.901 -13.295 908 HG3 ARG 110 HG2 ARG 110 -0.393 6.332 -11.786 909 HD2 ARG 110 HD3 ARG 110 1.013 4.278 -11.971 910 HD3 ARG 110 HD2 ARG 110 0.252 3.930 -13.535 911 HE ARG 110 HE ARG 110 1.544 5.666 -14.478 912 HH11 ARG 110 HH11 ARG 110 1.308 5.965 -11.046 913 HH12 ARG 110 HH12 ARG 110 2.398 7.307 -10.958 914 HH21 ARG 110 HH21 ARG 110 2.973 7.412 -14.375 915 HH22 ARG 110 HH22 ARG 110 3.339 8.127 -12.840 916 H TYR 111 H TYR 111 -3.013 5.822 -8.720 917 HA TYR 111 HA TYR 111 -1.887 8.599 -8.934 918 HB2 TYR 111 HB3 TYR 111 -4.398 7.829 -8.149 919 HB3 TYR 111 HB2 TYR 111 -3.552 7.860 -6.602 920 HD1 TYR 111 HD1 TYR 111 -4.134 9.898 -9.687 921 HD2 TYR 111 HD2 TYR 111 -3.151 9.900 -5.506 922 HE1 TYR 111 HE1 TYR 111 -4.279 12.373 -9.654 923 HE2 TYR 111 HE2 TYR 111 -3.295 12.376 -5.472 924 HH TYR 111 HH TYR 111 -3.534 14.219 -6.701 925 H TYR 112 H TYR 112 0.029 8.837 -7.831 926 HA TYR 112 HA TYR 112 1.127 6.635 -6.267 927 HB2 TYR 112 HB3 TYR 112 3.090 8.005 -6.256 928 HB3 TYR 112 HB2 TYR 112 2.315 8.298 -7.812 929 HD1 TYR 112 HD1 TYR 112 3.177 9.716 -4.548 930 HD2 TYR 112 HD2 TYR 112 1.048 10.384 -8.217 931 HE1 TYR 112 HE1 TYR 112 3.013 12.131 -4.012 932 HE2 TYR 112 HE2 TYR 112 0.883 12.801 -7.682 933 HH TYR 112 HH TYR 112 2.578 14.417 -5.941 934 H LEU 113 H LEU 113 1.347 6.521 -4.024 935 HA LEU 113 HA LEU 113 -0.290 8.423 -2.433 936 HB2 LEU 113 HB3 LEU 113 0.150 5.660 -2.474 937 HB3 LEU 113 HB2 LEU 113 1.010 6.214 -1.036 938 HG LEU 113 HG LEU 113 -1.318 5.677 -0.474 939 HD11 LEU 113 HD11 LEU 113 -0.242 8.440 -0.319 940 HD12 LEU 113 HD12 LEU 113 -0.748 7.354 0.975 941 HD13 LEU 113 HD13 LEU 113 -1.956 8.255 0.058 942 HD21 LEU 113 HD21 LEU 113 -1.788 7.053 -2.983 943 HD22 LEU 113 HD22 LEU 113 -2.758 7.769 -1.696 944 HD23 LEU 113 HD23 LEU 113 -2.894 6.046 -2.046 945 H ILE 114 H ILE 114 3.049 7.244 -2.733 946 HA ILE 114 HA ILE 114 3.906 9.450 -0.885 947 HB ILE 114 HB ILE 114 4.884 6.596 -1.193 948 HG12 ILE 114 HG13 ILE 114 3.747 8.156 1.152 949 HG13 ILE 114 HG12 ILE 114 2.894 6.918 0.229 950 HG21 ILE 114 HG21 ILE 114 6.355 8.952 -0.454 951 HG22 ILE 114 HG22 ILE 114 6.910 7.278 -0.494 952 HG23 ILE 114 HG23 ILE 114 6.166 7.926 0.969 953 HD11 ILE 114 HD11 ILE 114 5.080 5.502 0.866 954 HD12 ILE 114 HD12 ILE 114 3.681 5.591 1.937 955 HD13 ILE 114 HD13 ILE 114 5.084 6.619 2.230 956 H LYS 115 H LYS 115 4.873 7.320 -3.586 957 HA LYS 115 HA LYS 115 7.319 8.383 -4.344 958 HB2 LYS 115 HB3 LYS 115 5.994 6.522 -5.401 959 HB3 LYS 115 HB2 LYS 115 4.997 7.745 -6.190 960 HG2 LYS 115 HG3 LYS 115 7.455 8.650 -6.872 961 HG3 LYS 115 HG2 LYS 115 7.790 6.921 -6.767 962 HD2 LYS 115 HD3 LYS 115 5.278 7.596 -8.162 963 HD3 LYS 115 HD2 LYS 115 6.741 8.151 -8.977 964 HE2 LYS 115 HE3 LYS 115 7.681 5.852 -8.833 965 HE3 LYS 115 HE2 LYS 115 6.171 5.303 -8.077 966 HZ1 LYS 115 HZ1 LYS 115 4.934 5.901 -9.967 967 HZ2 LYS 115 HZ2 LYS 115 6.294 5.088 -10.579 968 HZ3 LYS 115 HZ3 LYS 115 6.214 6.783 -10.642 Start of MODEL 15 1 H1 GLY 1 H GLY 1 5.022 -12.280 8.974 2 HA2 GLY 1 HA3 GLY 1 3.527 -13.048 10.961 3 HA3 GLY 1 HA2 GLY 1 4.927 -12.604 11.938 4 H SER 2 H SER 2 5.702 -10.297 11.641 5 HA SER 2 HA SER 2 3.539 -8.452 12.062 6 HB2 SER 2 HB3 SER 2 6.184 -8.547 12.612 7 HB3 SER 2 HB2 SER 2 6.225 -7.492 11.201 8 HG SER 2 HG SER 2 4.517 -6.284 12.315 9 H ASP 3 H ASP 3 4.799 -9.778 9.200 10 HA ASP 3 HA ASP 3 4.718 -7.612 7.359 11 HB2 ASP 3 HB3 ASP 3 4.704 -10.540 7.387 12 HB3 ASP 3 HB2 ASP 3 3.816 -9.879 6.012 13 H THR 4 H THR 4 2.128 -9.870 8.366 14 HA THR 4 HA THR 4 0.044 -8.936 6.710 15 HB THR 4 HB THR 4 -0.094 -9.829 9.609 16 HG1 THR 4 HG1 THR 4 0.719 -11.584 8.822 17 HG21 THR 4 HG21 THR 4 -2.083 -10.099 7.337 18 HG22 THR 4 HG22 THR 4 -2.208 -8.935 8.656 19 HG23 THR 4 HG23 THR 4 -2.311 -10.663 8.993 20 H GLN 5 H GLN 5 1.068 -7.735 9.919 21 HA GLN 5 HA GLN 5 -0.937 -5.656 10.067 22 HB2 GLN 5 HB3 GLN 5 1.762 -6.032 11.410 23 HB3 GLN 5 HB2 GLN 5 0.528 -4.887 11.935 24 HG2 GLN 5 HG3 GLN 5 -0.738 -6.508 12.897 25 HG3 GLN 5 HG2 GLN 5 -0.460 -7.638 11.571 26 HE21 GLN 5 HE21 GLN 5 2.092 -6.044 13.506 27 HE22 GLN 5 HE22 GLN 5 2.697 -7.478 14.183 28 H LEU 6 H LEU 6 2.323 -5.854 8.725 29 HA LEU 6 HA LEU 6 2.868 -3.067 8.434 30 HB2 LEU 6 HB3 LEU 6 3.810 -5.664 7.427 31 HB3 LEU 6 HB2 LEU 6 4.063 -4.342 6.287 32 HG LEU 6 HG LEU 6 5.252 -3.051 7.968 33 HD11 LEU 6 HD11 LEU 6 5.471 -3.709 10.229 34 HD12 LEU 6 HD12 LEU 6 4.961 -5.362 9.888 35 HD13 LEU 6 HD13 LEU 6 3.783 -4.051 9.853 36 HD21 LEU 6 HD21 LEU 6 7.218 -4.416 8.182 37 HD22 LEU 6 HD22 LEU 6 6.434 -4.905 6.680 38 HD23 LEU 6 HD23 LEU 6 6.268 -5.901 8.126 39 H PHE 7 H PHE 7 1.204 -5.375 6.276 40 HA PHE 7 HA PHE 7 0.726 -3.371 4.210 41 HB2 PHE 7 HB3 PHE 7 0.367 -5.288 3.061 42 HB3 PHE 7 HB2 PHE 7 0.635 -6.185 4.550 43 HD1 PHE 7 HD1 PHE 7 -1.052 -7.638 5.223 44 HD2 PHE 7 HD2 PHE 7 -2.086 -4.156 2.928 45 HE1 PHE 7 HE1 PHE 7 -3.428 -8.354 5.206 46 HE2 PHE 7 HE2 PHE 7 -4.459 -4.873 2.911 47 HZ PHE 7 HZ PHE 7 -5.131 -6.971 4.050 48 H ASN 8 H ASN 8 -1.069 -4.679 6.965 49 HA ASN 8 HA ASN 8 -3.668 -3.746 6.407 50 HB2 ASN 8 HB3 ASN 8 -2.009 -4.444 8.750 51 HB3 ASN 8 HB2 ASN 8 -3.377 -3.392 9.113 52 HD21 ASN 8 HD21 ASN 8 -2.491 -6.587 7.835 53 HD22 ASN 8 HD22 ASN 8 -4.051 -7.251 7.940 54 H ARG 9 H ARG 9 -1.069 -2.013 8.182 55 HA ARG 9 HA ARG 9 -2.537 0.455 8.399 56 HB2 ARG 9 HB3 ARG 9 -0.163 1.333 8.848 57 HB3 ARG 9 HB2 ARG 9 -0.727 0.034 9.897 58 HG2 ARG 9 HG3 ARG 9 0.802 -1.442 9.095 59 HG3 ARG 9 HG2 ARG 9 0.606 -0.887 7.434 60 HD2 ARG 9 HD3 ARG 9 2.128 0.649 9.568 61 HD3 ARG 9 HD2 ARG 9 2.885 -0.371 8.328 62 HE ARG 9 HE ARG 9 1.208 1.269 6.867 63 HH11 ARG 9 HH11 ARG 9 3.654 1.758 9.255 64 HH12 ARG 9 HH12 ARG 9 4.148 3.291 8.619 65 HH21 ARG 9 HH21 ARG 9 1.857 3.262 6.019 66 HH22 ARG 9 HH22 ARG 9 3.133 4.142 6.792 67 H ALA 10 H ALA 10 -0.413 -0.895 5.918 68 HA ALA 10 HA ALA 10 0.035 1.511 4.413 69 HB1 ALA 10 HB1 ALA 10 1.425 -0.256 3.825 70 HB2 ALA 10 HB2 ALA 10 0.203 -0.414 2.564 71 HB3 ALA 10 HB3 ALA 10 0.138 -1.451 3.989 72 H VAL 11 H VAL 11 -2.460 -1.035 4.194 73 HA VAL 11 HA VAL 11 -3.860 0.210 1.985 74 HB VAL 11 HB VAL 11 -3.796 -2.231 3.294 75 HG11 VAL 11 HG11 VAL 11 -5.380 -1.232 5.013 76 HG12 VAL 11 HG12 VAL 11 -5.963 -2.690 4.212 77 HG13 VAL 11 HG13 VAL 11 -6.575 -1.110 3.722 78 HG21 VAL 11 HG21 VAL 11 -6.202 -1.994 1.711 79 HG22 VAL 11 HG22 VAL 11 -4.687 -2.808 1.317 80 HG23 VAL 11 HG23 VAL 11 -4.885 -1.091 0.962 81 H SER 12 H SER 12 -4.117 0.341 5.516 82 HA SER 12 HA SER 12 -6.601 1.624 5.846 83 HB2 SER 12 HB3 SER 12 -4.014 1.405 7.260 84 HB3 SER 12 HB2 SER 12 -4.978 2.805 7.719 85 HG SER 12 HG SER 12 -6.428 1.524 8.582 86 H MET 13 H MET 13 -3.402 3.144 5.293 87 HA MET 13 HA MET 13 -4.471 5.829 5.097 88 HB2 MET 13 HB3 MET 13 -2.165 6.273 4.192 89 HB3 MET 13 HB2 MET 13 -2.151 5.374 5.708 90 HG2 MET 13 HG3 MET 13 -1.526 3.380 4.678 91 HG3 MET 13 HG2 MET 13 -2.186 3.861 3.118 92 HE1 MET 13 HE1 MET 13 0.467 4.590 5.817 93 HE2 MET 13 HE2 MET 13 -0.116 6.205 5.419 94 HE3 MET 13 HE3 MET 13 1.543 5.754 5.031 95 H VAL 14 H VAL 14 -3.886 3.201 2.829 96 HA VAL 14 HA VAL 14 -4.168 4.753 0.404 97 HB VAL 14 HB VAL 14 -4.392 1.824 1.148 98 HG11 VAL 14 HG11 VAL 14 -4.506 3.144 -1.581 99 HG12 VAL 14 HG12 VAL 14 -5.745 2.130 -0.840 100 HG13 VAL 14 HG13 VAL 14 -4.205 1.424 -1.333 101 HG21 VAL 14 HG21 VAL 14 -2.157 1.733 0.719 102 HG22 VAL 14 HG22 VAL 14 -2.211 3.477 0.975 103 HG23 VAL 14 HG23 VAL 14 -2.282 2.823 -0.662 104 H GLU 15 H GLU 15 -6.434 2.798 2.361 105 HA GLU 15 HA GLU 15 -8.678 3.244 0.551 106 HB2 GLU 15 HB3 GLU 15 -9.882 1.980 2.196 107 HB3 GLU 15 HB2 GLU 15 -8.255 1.302 2.166 108 HG2 GLU 15 HG3 GLU 15 -8.266 1.634 4.407 109 HG3 GLU 15 HG2 GLU 15 -8.015 3.335 4.014 110 H LYS 16 H LYS 16 -7.303 4.917 3.305 111 HA LYS 16 HA LYS 16 -9.710 6.643 3.576 112 HB2 LYS 16 HB3 LYS 16 -8.631 7.356 5.623 113 HB3 LYS 16 HB2 LYS 16 -8.472 5.602 5.524 114 HG2 LYS 16 HG3 LYS 16 -6.264 5.986 5.881 115 HG3 LYS 16 HG2 LYS 16 -6.233 6.437 4.175 116 HD2 LYS 16 HD3 LYS 16 -6.615 8.782 4.750 117 HD3 LYS 16 HD2 LYS 16 -6.756 8.363 6.458 118 HE2 LYS 16 HE3 LYS 16 -4.422 7.572 6.481 119 HE3 LYS 16 HE2 LYS 16 -4.270 7.954 4.754 120 HZ1 LYS 16 HZ1 LYS 16 -4.740 10.234 5.185 121 HZ2 LYS 16 HZ2 LYS 16 -3.511 9.769 6.262 122 HZ3 LYS 16 HZ3 LYS 16 -5.111 9.923 6.811 123 H ASN 17 H ASN 17 -6.557 6.625 2.131 124 HA ASN 17 HA ASN 17 -5.743 9.295 2.125 125 HB2 ASN 17 HB3 ASN 17 -4.452 7.561 1.069 126 HB3 ASN 17 HB2 ASN 17 -5.769 7.174 -0.040 127 HD21 ASN 17 HD21 ASN 17 -2.837 8.693 -0.001 128 HD22 ASN 17 HD22 ASN 17 -3.091 9.851 -1.216 129 H LYS 18 H LYS 18 -6.814 11.142 1.537 130 HA LYS 18 HA LYS 18 -9.407 11.181 0.348 131 HB2 LYS 18 HB3 LYS 18 -8.919 13.625 0.172 132 HB3 LYS 18 HB2 LYS 18 -8.478 12.964 1.746 133 HG2 LYS 18 HG3 LYS 18 -6.140 12.573 0.532 134 HG3 LYS 18 HG2 LYS 18 -6.713 13.903 -0.475 135 HD2 LYS 18 HD3 LYS 18 -6.312 13.899 2.523 136 HD3 LYS 18 HD2 LYS 18 -5.501 14.910 1.328 137 HE2 LYS 18 HE3 LYS 18 -7.852 15.810 0.745 138 HE3 LYS 18 HE2 LYS 18 -8.367 15.073 2.275 139 HZ1 LYS 18 HZ1 LYS 18 -6.797 16.317 3.477 140 HZ2 LYS 18 HZ2 LYS 18 -7.514 17.436 2.416 141 HZ3 LYS 18 HZ3 LYS 18 -5.974 16.806 2.077 142 H ASP 19 H ASP 19 -6.168 11.561 -1.092 143 HA ASP 19 HA ASP 19 -6.990 12.367 -3.702 144 HB2 ASP 19 HB3 ASP 19 -4.623 11.119 -2.389 145 HB3 ASP 19 HB2 ASP 19 -4.707 10.992 -4.147 146 H ILE 20 H ILE 20 -6.413 9.093 -2.366 147 HA ILE 20 HA ILE 20 -7.070 7.695 -4.805 148 HB ILE 20 HB ILE 20 -7.163 6.836 -1.892 149 HG12 ILE 20 HG13 ILE 20 -4.980 7.788 -2.571 150 HG13 ILE 20 HG12 ILE 20 -4.860 6.049 -2.305 151 HG21 ILE 20 HG21 ILE 20 -8.315 5.307 -3.506 152 HG22 ILE 20 HG22 ILE 20 -6.892 4.574 -2.765 153 HG23 ILE 20 HG23 ILE 20 -6.809 5.189 -4.417 154 HD11 ILE 20 HD11 ILE 20 -5.127 5.678 -4.746 155 HD12 ILE 20 HD12 ILE 20 -3.706 6.657 -4.382 156 HD13 ILE 20 HD13 ILE 20 -5.173 7.424 -4.989 157 H ARG 21 H ARG 21 -8.952 8.759 -1.991 158 HA ARG 21 HA ARG 21 -11.360 7.371 -2.348 159 HB2 ARG 21 HB3 ARG 21 -11.065 8.814 -0.477 160 HB3 ARG 21 HB2 ARG 21 -10.666 10.191 -1.505 161 HG2 ARG 21 HG3 ARG 21 -13.023 10.046 -2.436 162 HG3 ARG 21 HG2 ARG 21 -13.371 8.875 -1.162 163 HD2 ARG 21 HD3 ARG 21 -14.040 11.084 -0.369 164 HD3 ARG 21 HD2 ARG 21 -12.578 10.607 0.516 165 HE ARG 21 HE ARG 21 -11.367 12.264 -0.670 166 HH11 ARG 21 HH11 ARG 21 -14.444 11.618 -2.104 167 HH12 ARG 21 HH12 ARG 21 -14.338 12.928 -3.230 168 HH21 ARG 21 HH21 ARG 21 -11.220 13.974 -2.138 169 HH22 ARG 21 HH22 ARG 21 -12.516 14.258 -3.252 170 H SER 22 H SER 22 -10.169 10.248 -4.072 171 HA SER 22 HA SER 22 -12.549 10.717 -5.629 172 HB2 SER 22 HB3 SER 22 -9.632 11.329 -6.211 173 HB3 SER 22 HB2 SER 22 -11.023 12.146 -6.919 174 HG SER 22 HG SER 22 -11.535 12.422 -4.493 175 H LEU 23 H LEU 23 -9.649 8.739 -6.114 176 HA LEU 23 HA LEU 23 -10.265 7.983 -8.853 177 HB2 LEU 23 HB3 LEU 23 -8.543 6.584 -6.783 178 HB3 LEU 23 HB2 LEU 23 -8.375 6.496 -8.536 179 HG LEU 23 HG LEU 23 -7.972 8.967 -6.825 180 HD11 LEU 23 HD11 LEU 23 -5.676 8.701 -7.188 181 HD12 LEU 23 HD12 LEU 23 -5.921 7.652 -8.584 182 HD13 LEU 23 HD13 LEU 23 -6.209 7.035 -6.958 183 HD21 LEU 23 HD21 LEU 23 -8.228 10.181 -8.705 184 HD22 LEU 23 HD22 LEU 23 -8.711 8.718 -9.562 185 HD23 LEU 23 HD23 LEU 23 -7.015 9.197 -9.524 186 H LEU 24 H LEU 24 -10.753 6.501 -5.655 187 HA LEU 24 HA LEU 24 -12.060 4.125 -6.810 188 HB2 LEU 24 HB3 LEU 24 -10.891 5.038 -4.302 189 HB3 LEU 24 HB2 LEU 24 -12.435 4.228 -4.032 190 HG LEU 24 HG LEU 24 -10.593 2.922 -5.962 191 HD11 LEU 24 HD11 LEU 24 -9.842 1.921 -3.435 192 HD12 LEU 24 HD12 LEU 24 -9.734 3.675 -3.300 193 HD13 LEU 24 HD13 LEU 24 -8.832 2.830 -4.559 194 HD21 LEU 24 HD21 LEU 24 -11.450 0.916 -4.708 195 HD22 LEU 24 HD22 LEU 24 -12.731 1.905 -5.410 196 HD23 LEU 24 HD23 LEU 24 -12.380 2.012 -3.685 197 H GLN 25 H GLN 25 -13.019 7.283 -6.004 198 HA GLN 25 HA GLN 25 -15.140 8.266 -5.621 199 HB2 GLN 25 HB3 GLN 25 -16.128 5.807 -7.082 200 HB3 GLN 25 HB2 GLN 25 -16.762 7.450 -7.170 201 HG2 GLN 25 HG3 GLN 25 -14.849 8.218 -8.389 202 HG3 GLN 25 HG2 GLN 25 -13.966 6.727 -8.075 203 HE21 GLN 25 HE21 GLN 25 -14.704 4.761 -9.201 204 HE22 GLN 25 HE22 GLN 25 -15.633 4.877 -10.617 205 H CYS 26 H CYS 26 -14.123 6.191 -3.681 206 HA CYS 26 HA CYS 26 -16.438 4.671 -2.769 207 HB2 CYS 26 HB3 CYS 26 -14.911 4.002 -1.012 208 HB3 CYS 26 HB2 CYS 26 -13.990 4.090 -2.513 209 HG CYS 26 HG CYS 26 -12.759 6.121 -1.677 210 H ASP 27 H ASP 27 -16.263 5.128 0.016 211 HA ASP 27 HA ASP 27 -17.431 7.883 0.236 212 HB2 ASP 27 HB3 ASP 27 -18.253 5.185 1.036 213 HB3 ASP 27 HB2 ASP 27 -18.342 6.342 2.365 214 H ASP 28 H ASP 28 -17.064 8.950 2.338 215 HA ASP 28 HA ASP 28 -15.296 7.933 4.353 216 HB2 ASP 28 HB3 ASP 28 -14.043 8.523 1.947 217 HB3 ASP 28 HB2 ASP 28 -13.761 9.973 2.909 218 H GLY 29 H GLY 29 -16.832 9.042 5.690 219 HA2 GLY 29 HA3 GLY 29 -16.295 11.932 5.961 220 HA3 GLY 29 HA2 GLY 29 -17.969 11.480 5.633 221 H ILE 30 H ILE 30 -16.931 12.731 8.064 222 HA ILE 30 HA ILE 30 -16.549 10.967 10.238 223 HB ILE 30 HB ILE 30 -16.371 13.481 10.158 224 HG12 ILE 30 HG13 ILE 30 -18.153 13.275 12.420 225 HG13 ILE 30 HG12 ILE 30 -17.206 11.794 12.274 226 HG21 ILE 30 HG21 ILE 30 -18.816 13.475 9.082 227 HG22 ILE 30 HG22 ILE 30 -18.231 14.842 10.030 228 HG23 ILE 30 HG23 ILE 30 -19.290 13.644 10.773 229 HD11 ILE 30 HD11 ILE 30 -16.342 14.481 13.049 230 HD12 ILE 30 HD12 ILE 30 -15.343 13.789 11.771 231 HD13 ILE 30 HD13 ILE 30 -15.541 12.931 13.300 232 H THR 31 H THR 31 -19.367 11.462 8.300 233 HA THR 31 HA THR 31 -21.210 10.397 10.375 234 HB THR 31 HB THR 31 -22.905 11.182 8.939 235 HG1 THR 31 HG1 THR 31 -22.413 10.130 7.080 236 HG21 THR 31 HG21 THR 31 -20.551 12.917 8.165 237 HG22 THR 31 HG22 THR 31 -21.369 13.012 9.725 238 HG23 THR 31 HG23 THR 31 -22.245 13.397 8.245 239 H GLY 32 H GLY 32 -19.446 9.375 7.543 240 HA2 GLY 32 HA3 GLY 32 -20.148 6.600 8.025 241 HA3 GLY 32 HA2 GLY 32 -20.904 7.235 6.564 242 H LYS 33 H LYS 33 -18.324 5.496 7.501 243 HA LYS 33 HA LYS 33 -16.520 6.666 5.409 244 HB2 LYS 33 HB3 LYS 33 -16.133 5.341 8.066 245 HB3 LYS 33 HB2 LYS 33 -14.877 5.136 6.845 246 HG2 LYS 33 HG3 LYS 33 -14.146 7.252 7.121 247 HG3 LYS 33 HG2 LYS 33 -15.781 7.899 6.990 248 HD2 LYS 33 HD3 LYS 33 -14.741 8.360 9.214 249 HD3 LYS 33 HD2 LYS 33 -16.213 7.394 9.338 250 HE2 LYS 33 HE3 LYS 33 -15.075 5.676 10.280 251 HE3 LYS 33 HE2 LYS 33 -13.868 5.698 8.978 252 HZ1 LYS 33 HZ1 LYS 33 -13.973 7.525 11.321 253 HZ2 LYS 33 HZ2 LYS 33 -12.889 7.681 10.022 254 HZ3 LYS 33 HZ3 LYS 33 -12.812 6.320 11.036 255 H GLU 34 H GLU 34 -15.622 5.216 3.874 256 HA GLU 34 HA GLU 34 -17.183 2.770 3.392 257 HB2 GLU 34 HB3 GLU 34 -16.694 4.131 1.512 258 HB3 GLU 34 HB2 GLU 34 -15.004 4.312 1.980 259 HG2 GLU 34 HG3 GLU 34 -14.434 2.464 0.828 260 HG3 GLU 34 HG2 GLU 34 -15.639 1.511 1.693 261 H ARG 35 H ARG 35 -16.386 0.660 3.521 262 HA ARG 35 HA ARG 35 -13.741 0.330 4.888 263 HB2 ARG 35 HB3 ARG 35 -15.752 -0.404 6.111 264 HB3 ARG 35 HB2 ARG 35 -16.218 -1.425 4.749 265 HG2 ARG 35 HG3 ARG 35 -13.488 -1.988 5.505 266 HG3 ARG 35 HG2 ARG 35 -14.542 -2.130 6.912 267 HD2 ARG 35 HD3 ARG 35 -15.981 -3.344 4.823 268 HD3 ARG 35 HD2 ARG 35 -14.313 -3.919 4.636 269 HE ARG 35 HE ARG 35 -15.234 -3.910 7.411 270 HH11 ARG 35 HH11 ARG 35 -15.052 -5.625 4.417 271 HH12 ARG 35 HH12 ARG 35 -15.193 -7.185 5.155 272 HH21 ARG 35 HH21 ARG 35 -15.420 -5.940 8.382 273 HH22 ARG 35 HH22 ARG 35 -15.403 -7.364 7.397 274 H LEU 36 H LEU 36 -12.164 -0.377 3.509 275 HA LEU 36 HA LEU 36 -12.968 -2.028 1.146 276 HB2 LEU 36 HB3 LEU 36 -10.552 -0.286 1.725 277 HB3 LEU 36 HB2 LEU 36 -10.817 -1.168 0.219 278 HG LEU 36 HG LEU 36 -12.812 0.817 1.332 279 HD11 LEU 36 HD11 LEU 36 -10.299 1.493 0.436 280 HD12 LEU 36 HD12 LEU 36 -11.711 2.548 0.365 281 HD13 LEU 36 HD13 LEU 36 -11.257 1.588 -1.043 282 HD21 LEU 36 HD21 LEU 36 -14.012 -0.343 -0.238 283 HD22 LEU 36 HD22 LEU 36 -12.566 -0.906 -1.077 284 HD23 LEU 36 HD23 LEU 36 -13.167 0.730 -1.353 285 H LYS 37 H LYS 37 -11.867 -3.988 0.752 286 HA LYS 37 HA LYS 37 -10.220 -5.012 3.031 287 HB2 LYS 37 HB3 LYS 37 -11.373 -6.964 1.154 288 HB3 LYS 37 HB2 LYS 37 -11.463 -6.920 2.912 289 HG2 LYS 37 HG3 LYS 37 -13.223 -5.136 2.718 290 HG3 LYS 37 HG2 LYS 37 -13.195 -5.363 0.968 291 HD2 LYS 37 HD3 LYS 37 -13.475 -7.941 1.793 292 HD3 LYS 37 HD2 LYS 37 -14.342 -7.097 3.077 293 HE2 LYS 37 HE3 LYS 37 -15.076 -5.917 0.558 294 HE3 LYS 37 HE2 LYS 37 -15.292 -7.675 0.458 295 HZ1 LYS 37 HZ1 LYS 37 -17.226 -6.564 1.461 296 HZ2 LYS 37 HZ2 LYS 37 -16.233 -5.970 2.705 297 HZ3 LYS 37 HZ3 LYS 37 -16.483 -7.642 2.539 298 H ALA 38 H ALA 38 -8.200 -5.801 2.559 299 HA ALA 38 HA ALA 38 -7.423 -6.046 -0.327 300 HB1 ALA 38 HB1 ALA 38 -6.240 -4.536 1.975 301 HB2 ALA 38 HB2 ALA 38 -6.408 -4.046 0.289 302 HB3 ALA 38 HB3 ALA 38 -5.146 -5.187 0.754 303 H TYR 39 H TYR 39 -5.486 -7.469 -0.628 304 HA TYR 39 HA TYR 39 -4.704 -9.230 1.595 305 HB2 TYR 39 HB3 TYR 39 -5.551 -11.242 0.195 306 HB3 TYR 39 HB2 TYR 39 -6.752 -10.304 1.082 307 HD1 TYR 39 HD1 TYR 39 -8.313 -8.833 -0.073 308 HD2 TYR 39 HD2 TYR 39 -5.343 -11.049 -2.245 309 HE1 TYR 39 HE1 TYR 39 -9.494 -8.334 -2.196 310 HE2 TYR 39 HE2 TYR 39 -6.525 -10.549 -4.368 311 HH TYR 39 HH TYR 39 -8.423 -9.743 -5.268 312 H GLY 40 H GLY 40 -2.795 -10.405 1.086 313 HA2 GLY 40 HA3 GLY 40 -1.307 -9.395 -1.224 314 HA3 GLY 40 HA2 GLY 40 -0.688 -10.496 0.007 315 H GLU 41 H GLU 41 0.007 -12.279 -1.089 316 HA GLU 41 HA GLU 41 -0.781 -13.263 -3.572 317 HB2 GLU 41 HB3 GLU 41 0.664 -14.127 -1.241 318 HB3 GLU 41 HB2 GLU 41 -0.298 -15.477 -1.844 319 HG2 GLU 41 HG3 GLU 41 1.606 -13.789 -3.497 320 HG3 GLU 41 HG2 GLU 41 1.913 -15.431 -2.931 321 H LEU 42 H LEU 42 -2.095 -15.294 -4.010 322 HA LEU 42 HA LEU 42 -4.145 -16.470 -3.929 323 HB2 LEU 42 HB3 LEU 42 -3.109 -16.155 -1.274 324 HB3 LEU 42 HB2 LEU 42 -4.865 -15.996 -1.205 325 HG LEU 42 HG LEU 42 -3.400 -18.264 -2.586 326 HD11 LEU 42 HD11 LEU 42 -4.043 -17.802 0.200 327 HD12 LEU 42 HD12 LEU 42 -3.166 -19.148 -0.526 328 HD13 LEU 42 HD13 LEU 42 -4.925 -19.202 -0.410 329 HD21 LEU 42 HD21 LEU 42 -6.327 -17.800 -1.926 330 HD22 LEU 42 HD22 LEU 42 -5.668 -19.281 -2.623 331 HD23 LEU 42 HD23 LEU 42 -5.610 -17.774 -3.537 332 H ILE 43 H ILE 43 -6.540 -16.009 -2.804 333 HA ILE 43 HA ILE 43 -7.119 -13.097 -3.231 334 HB ILE 43 HB ILE 43 -9.234 -14.001 -4.367 335 HG12 ILE 43 HG13 ILE 43 -7.779 -16.506 -4.977 336 HG13 ILE 43 HG12 ILE 43 -8.410 -16.392 -3.333 337 HG21 ILE 43 HG21 ILE 43 -8.114 -14.260 -6.486 338 HG22 ILE 43 HG22 ILE 43 -6.619 -14.763 -5.695 339 HG23 ILE 43 HG23 ILE 43 -7.180 -13.097 -5.542 340 HD11 ILE 43 HD11 ILE 43 -9.971 -16.111 -5.914 341 HD12 ILE 43 HD12 ILE 43 -10.636 -15.727 -4.327 342 HD13 ILE 43 HD13 ILE 43 -10.138 -17.378 -4.698 343 H THR 44 H THR 44 -9.732 -12.972 -2.620 344 HA THR 44 HA THR 44 -9.816 -13.853 0.223 345 HB THR 44 HB THR 44 -11.256 -11.803 -1.472 346 HG1 THR 44 HG1 THR 44 -9.543 -11.742 0.780 347 HG21 THR 44 HG21 THR 44 -11.858 -12.693 1.358 348 HG22 THR 44 HG22 THR 44 -12.957 -12.705 -0.022 349 HG23 THR 44 HG23 THR 44 -12.429 -11.173 0.672 350 H ASN 45 H ASN 45 -12.148 -13.604 -2.498 351 HA ASN 45 HA ASN 45 -13.915 -15.048 -3.118 352 HB2 ASN 45 HB3 ASN 45 -11.834 -16.585 -2.903 353 HB3 ASN 45 HB2 ASN 45 -12.547 -17.098 -1.373 354 HD21 ASN 45 HD21 ASN 45 -12.465 -17.868 -4.638 355 HD22 ASN 45 HD22 ASN 45 -13.932 -18.717 -4.748 356 H ASP 46 H ASP 46 -15.951 -15.013 -2.251 357 HA ASP 46 HA ASP 46 -16.590 -14.261 0.379 358 HB2 ASP 46 HB3 ASP 46 -18.172 -16.059 -1.486 359 HB3 ASP 46 HB2 ASP 46 -18.835 -15.017 -0.227 360 H LYS 47 H LYS 47 -16.984 -15.411 2.292 361 HA LYS 47 HA LYS 47 -16.893 -17.217 3.816 362 HB2 LYS 47 HB3 LYS 47 -17.927 -18.202 1.243 363 HB3 LYS 47 HB2 LYS 47 -17.230 -19.468 2.253 364 HG2 LYS 47 HG3 LYS 47 -19.106 -19.469 3.492 365 HG3 LYS 47 HG2 LYS 47 -18.755 -17.808 3.972 366 HD2 LYS 47 HD3 LYS 47 -19.760 -17.316 1.532 367 HD3 LYS 47 HD2 LYS 47 -20.614 -18.820 1.875 368 HE2 LYS 47 HE3 LYS 47 -22.052 -17.683 3.201 369 HE3 LYS 47 HE2 LYS 47 -20.696 -17.192 4.236 370 HZ1 LYS 47 HZ1 LYS 47 -22.074 -15.434 2.845 371 HZ2 LYS 47 HZ2 LYS 47 -20.961 -15.879 1.640 372 HZ3 LYS 47 HZ3 LYS 47 -20.410 -15.251 3.120 373 H TRP 48 H TRP 48 -15.716 -19.585 3.907 374 HA TRP 48 HA TRP 48 -13.610 -20.659 3.981 375 HB2 TRP 48 HB3 TRP 48 -13.351 -19.260 1.303 376 HB3 TRP 48 HB2 TRP 48 -12.497 -20.712 1.815 377 HD1 TRP 48 HD1 TRP 48 -15.606 -19.590 0.149 378 HE1 TRP 48 HE1 TRP 48 -17.205 -21.580 -0.211 379 HE3 TRP 48 HE3 TRP 48 -13.329 -23.094 3.085 380 HZ2 TRP 48 HZ2 TRP 48 -17.482 -24.299 0.635 381 HZ3 TRP 48 HZ3 TRP 48 -14.281 -25.374 3.290 382 HH2 TRP 48 HH2 TRP 48 -16.353 -25.980 2.070 383 H THR 49 H THR 49 -13.961 -17.681 4.748 384 HA THR 49 HA THR 49 -11.804 -16.041 4.212 385 HB THR 49 HB THR 49 -12.123 -15.809 6.952 386 HG1 THR 49 HG1 THR 49 -13.767 -16.972 7.478 387 HG21 THR 49 HG21 THR 49 -12.454 -13.936 5.551 388 HG22 THR 49 HG22 THR 49 -14.047 -14.240 6.247 389 HG23 THR 49 HG23 THR 49 -13.689 -14.759 4.600 390 H ARG 50 H ARG 50 -9.733 -15.713 5.326 391 HA ARG 50 HA ARG 50 -8.601 -17.708 7.095 392 HB2 ARG 50 HB3 ARG 50 -8.853 -18.541 4.511 393 HB3 ARG 50 HB2 ARG 50 -7.251 -17.806 4.456 394 HG2 ARG 50 HG3 ARG 50 -6.426 -19.678 5.396 395 HG3 ARG 50 HG2 ARG 50 -7.330 -19.280 6.858 396 HD2 ARG 50 HD3 ARG 50 -8.033 -21.494 6.215 397 HD3 ARG 50 HD2 ARG 50 -9.351 -20.408 5.733 398 HE ARG 50 HE ARG 50 -7.314 -20.736 3.665 399 HH11 ARG 50 HH11 ARG 50 -10.213 -21.948 5.101 400 HH12 ARG 50 HH12 ARG 50 -10.735 -22.764 3.667 401 HH21 ARG 50 HH21 ARG 50 -7.985 -21.804 1.791 402 HH22 ARG 50 HH22 ARG 50 -9.477 -22.683 1.796 403 H ASN 51 H ASN 51 -6.237 -17.244 7.457 404 HA ASN 51 HA ASN 51 -5.496 -14.465 6.593 405 HB2 ASN 51 HB3 ASN 51 -6.176 -15.457 9.144 406 HB3 ASN 51 HB2 ASN 51 -4.423 -15.267 9.167 407 HD21 ASN 51 HD21 ASN 51 -7.411 -13.558 9.352 408 HD22 ASN 51 HD22 ASN 51 -6.773 -11.987 9.276 409 H ARG 52 H ARG 52 -4.280 -15.799 4.895 410 HA ARG 52 HA ARG 52 -2.103 -17.530 5.700 411 HB2 ARG 52 HB3 ARG 52 -3.410 -16.579 3.333 412 HB3 ARG 52 HB2 ARG 52 -1.672 -16.353 3.134 413 HG2 ARG 52 HG3 ARG 52 -1.581 -18.805 4.156 414 HG3 ARG 52 HG2 ARG 52 -3.221 -18.885 3.509 415 HD2 ARG 52 HD3 ARG 52 -2.153 -17.929 1.319 416 HD3 ARG 52 HD2 ARG 52 -0.629 -18.509 2.020 417 HE ARG 52 HE ARG 52 -2.823 -20.198 1.078 418 HH11 ARG 52 HH11 ARG 52 -0.141 -19.852 3.227 419 HH12 ARG 52 HH12 ARG 52 0.123 -21.557 3.379 420 HH21 ARG 52 HH21 ARG 52 -2.484 -22.422 1.262 421 HH22 ARG 52 HH22 ARG 52 -1.202 -23.010 2.267 422 HA PRO 53 HA PRO 53 1.007 -14.558 6.558 423 HB2 PRO 53 HB3 PRO 53 3.245 -15.864 5.695 424 HB3 PRO 53 HB2 PRO 53 2.357 -16.334 7.158 425 HG2 PRO 53 HG3 PRO 53 2.366 -17.581 4.470 426 HG3 PRO 53 HG2 PRO 53 2.200 -18.329 6.063 427 HD2 PRO 53 HD3 PRO 53 0.115 -17.843 4.311 428 HD3 PRO 53 HD2 PRO 53 -0.060 -18.103 6.060 429 H ILE 54 H ILE 54 2.558 -13.080 5.544 430 HA ILE 54 HA ILE 54 2.199 -12.871 2.573 431 HB ILE 54 HB ILE 54 2.571 -10.881 4.821 432 HG12 ILE 54 HG13 ILE 54 0.277 -11.663 4.292 433 HG13 ILE 54 HG12 ILE 54 0.482 -9.957 3.892 434 HG21 ILE 54 HG21 ILE 54 3.109 -10.598 1.882 435 HG22 ILE 54 HG22 ILE 54 3.975 -9.893 3.247 436 HG23 ILE 54 HG23 ILE 54 2.414 -9.235 2.758 437 HD11 ILE 54 HD11 ILE 54 1.276 -11.541 1.634 438 HD12 ILE 54 HD12 ILE 54 -0.039 -10.371 1.747 439 HD13 ILE 54 HD13 ILE 54 -0.324 -12.062 2.161 440 H VAL 55 H VAL 55 4.068 -12.810 1.315 441 HA VAL 55 HA VAL 55 6.648 -13.260 2.725 442 HB VAL 55 HB VAL 55 5.905 -13.424 -0.211 443 HG11 VAL 55 HG11 VAL 55 7.898 -14.997 -0.204 444 HG12 VAL 55 HG12 VAL 55 8.247 -14.425 1.426 445 HG13 VAL 55 HG13 VAL 55 8.291 -13.300 0.069 446 HG21 VAL 55 HG21 VAL 55 6.242 -15.985 0.937 447 HG22 VAL 55 HG22 VAL 55 4.745 -15.274 0.333 448 HG23 VAL 55 HG23 VAL 55 5.187 -15.091 2.031 449 H SER 56 H SER 56 8.415 -11.873 2.464 450 HA SER 56 HA SER 56 7.950 -9.398 0.847 451 HB2 SER 56 HB3 SER 56 9.457 -8.493 2.885 452 HB3 SER 56 HB2 SER 56 7.700 -8.554 2.980 453 HG SER 56 HG SER 56 9.446 -9.791 4.509 454 H THR 57 H THR 57 9.857 -8.507 -0.107 455 HA THR 57 HA THR 57 12.105 -10.448 -0.320 456 HB THR 57 HB THR 57 12.580 -9.204 -2.392 457 HG1 THR 57 HG1 THR 57 11.813 -7.177 -1.410 458 HG21 THR 57 HG21 THR 57 10.472 -10.853 -1.974 459 HG22 THR 57 HG22 THR 57 10.868 -10.172 -3.552 460 HG23 THR 57 HG23 THR 57 9.629 -9.416 -2.551 461 H LYS 58 H LYS 58 14.269 -9.761 0.072 462 HA LYS 58 HA LYS 58 14.537 -7.097 1.430 463 HB2 LYS 58 HB3 LYS 58 16.327 -8.313 2.754 464 HB3 LYS 58 HB2 LYS 58 14.690 -8.916 3.015 465 HG2 LYS 58 HG3 LYS 58 15.108 -10.904 1.958 466 HG3 LYS 58 HG2 LYS 58 16.208 -10.171 0.791 467 HD2 LYS 58 HD3 LYS 58 17.429 -11.658 2.337 468 HD3 LYS 58 HD2 LYS 58 17.940 -9.981 2.538 469 HE2 LYS 58 HE3 LYS 58 15.766 -10.256 4.290 470 HE3 LYS 58 HE2 LYS 58 16.703 -11.750 4.489 471 HZ1 LYS 58 HZ1 LYS 58 17.664 -10.072 5.882 472 HZ2 LYS 58 HZ2 LYS 58 17.744 -8.968 4.592 473 HZ3 LYS 58 HZ3 LYS 58 18.726 -10.354 4.589 474 H LYS 59 H LYS 59 16.132 -5.774 0.626 475 HA LYS 59 HA LYS 59 18.314 -6.952 -1.030 476 HB2 LYS 59 HB3 LYS 59 16.049 -5.216 -1.874 477 HB3 LYS 59 HB2 LYS 59 17.632 -4.803 -2.533 478 HG2 LYS 59 HG3 LYS 59 17.854 -6.846 -3.641 479 HG3 LYS 59 HG2 LYS 59 16.716 -7.663 -2.569 480 HD2 LYS 59 HD3 LYS 59 15.890 -5.458 -4.471 481 HD3 LYS 59 HD2 LYS 59 15.832 -7.168 -4.900 482 HE2 LYS 59 HE3 LYS 59 14.194 -7.642 -3.235 483 HE3 LYS 59 HE2 LYS 59 14.472 -6.093 -2.414 484 HZ1 LYS 59 HZ1 LYS 59 13.348 -6.497 -5.135 485 HZ2 LYS 59 HZ2 LYS 59 13.801 -4.983 -4.513 486 HZ3 LYS 59 HZ3 LYS 59 12.541 -5.862 -3.785 487 H LEU 60 H LEU 60 20.220 -6.017 -0.381 488 HA LEU 60 HA LEU 60 20.075 -3.410 1.077 489 HB2 LEU 60 HB3 LEU 60 22.217 -4.165 2.056 490 HB3 LEU 60 HB2 LEU 60 20.957 -5.378 2.280 491 HG LEU 60 HG LEU 60 22.077 -6.010 -0.199 492 HD11 LEU 60 HD11 LEU 60 24.055 -4.738 1.604 493 HD12 LEU 60 HD12 LEU 60 24.104 -4.957 -0.146 494 HD13 LEU 60 HD13 LEU 60 24.542 -6.290 0.923 495 HD21 LEU 60 HD21 LEU 60 21.812 -7.955 0.916 496 HD22 LEU 60 HD22 LEU 60 21.808 -7.119 2.469 497 HD23 LEU 60 HD23 LEU 60 23.335 -7.617 1.740 498 H ASP 61 H ASP 61 21.316 -1.669 0.373 499 HA ASP 61 HA ASP 61 22.471 -1.884 -2.353 500 HB2 ASP 61 HB3 ASP 61 20.923 -0.037 -0.974 501 HB3 ASP 61 HB2 ASP 61 22.524 0.703 -0.969 502 H LYS 62 H LYS 62 24.381 0.134 -2.240 503 HA LYS 62 HA LYS 62 26.669 -1.236 -1.132 504 HB2 LYS 62 HB3 LYS 62 27.867 0.617 -2.081 505 HB3 LYS 62 HB2 LYS 62 26.497 0.320 -3.151 506 HG2 LYS 62 HG3 LYS 62 25.587 2.091 -1.126 507 HG3 LYS 62 HG2 LYS 62 27.139 2.712 -1.691 508 HD2 LYS 62 HD3 LYS 62 26.172 2.232 -4.075 509 HD3 LYS 62 HD2 LYS 62 24.612 2.248 -3.253 510 HE2 LYS 62 HE3 LYS 62 25.033 4.506 -2.404 511 HE3 LYS 62 HE2 LYS 62 26.656 4.496 -3.125 512 HZ1 LYS 62 HZ1 LYS 62 25.249 5.525 -4.701 513 HZ2 LYS 62 HZ2 LYS 62 24.045 4.339 -4.524 514 HZ3 LYS 62 HZ3 LYS 62 25.518 3.954 -5.281 515 H GLU 63 H GLU 63 24.354 0.878 0.260 516 HA GLU 63 HA GLU 63 26.186 1.957 2.312 517 HB2 GLU 63 HB3 GLU 63 23.253 2.204 1.622 518 HB3 GLU 63 HB2 GLU 63 23.911 2.909 3.099 519 HG2 GLU 63 HG3 GLU 63 25.735 3.828 1.340 520 HG3 GLU 63 HG2 GLU 63 24.341 3.708 0.264 521 H GLY 64 H GLY 64 24.399 -0.891 1.847 522 HA2 GLY 64 HA3 GLY 64 24.289 -2.733 3.354 523 HA3 GLY 64 HA2 GLY 64 24.822 -1.668 4.654 524 H ARG 65 H ARG 65 22.349 -0.202 2.902 525 HA ARG 65 HA ARG 65 20.466 -0.549 5.127 526 HB2 ARG 65 HB3 ARG 65 21.004 1.552 3.722 527 HB3 ARG 65 HB2 ARG 65 19.999 0.819 2.472 528 HG2 ARG 65 HG3 ARG 65 18.054 0.970 3.753 529 HG3 ARG 65 HG2 ARG 65 18.944 1.033 5.274 530 HD2 ARG 65 HD3 ARG 65 18.207 3.271 4.962 531 HD3 ARG 65 HD2 ARG 65 19.877 3.302 4.363 532 HE ARG 65 HE ARG 65 18.253 2.525 2.188 533 HH11 ARG 65 HH11 ARG 65 18.691 5.211 4.318 534 HH12 ARG 65 HH12 ARG 65 18.188 6.385 3.148 535 HH21 ARG 65 HH21 ARG 65 17.595 4.050 0.656 536 HH22 ARG 65 HH22 ARG 65 17.570 5.730 1.079 537 H THR 66 H THR 66 19.028 -2.230 5.181 538 HA THR 66 HA THR 66 18.553 -3.878 2.793 539 HB THR 66 HB THR 66 17.706 -3.916 5.697 540 HG1 THR 66 HG1 THR 66 19.487 -5.315 4.035 541 HG21 THR 66 HG21 THR 66 17.012 -5.965 3.576 542 HG22 THR 66 HG22 THR 66 15.871 -4.798 4.243 543 HG23 THR 66 HG23 THR 66 16.581 -6.030 5.286 544 H HIS 67 H HIS 67 16.798 -3.651 1.449 545 HA HIS 67 HA HIS 67 14.617 -1.777 2.297 546 HB2 HIS 67 HB3 HIS 67 15.544 -2.712 -0.441 547 HB3 HIS 67 HB2 HIS 67 14.311 -1.487 -0.137 548 HD1 HIS 67 HD1 HIS 67 17.182 -1.055 -1.568 549 HD2 HIS 67 HD2 HIS 67 16.147 0.020 2.325 550 HE1 HIS 67 HE1 HIS 67 18.781 0.787 -0.884 551 H HIS 68 H HIS 68 12.464 -2.499 2.176 552 HA HIS 68 HA HIS 68 12.091 -5.404 1.517 553 HB2 HIS 68 HB3 HIS 68 11.076 -3.562 3.655 554 HB3 HIS 68 HB2 HIS 68 10.058 -4.913 3.155 555 HD1 HIS 68 HD1 HIS 68 11.903 -7.195 2.792 556 HD2 HIS 68 HD2 HIS 68 12.491 -4.430 5.857 557 HE1 HIS 68 HE1 HIS 68 13.327 -8.353 4.538 558 H TYR 69 H TYR 69 10.285 -5.949 0.240 559 HA TYR 69 HA TYR 69 8.754 -3.641 -0.921 560 HB2 TYR 69 HB3 TYR 69 9.744 -6.233 -2.152 561 HB3 TYR 69 HB2 TYR 69 8.717 -5.070 -2.988 562 HD1 TYR 69 HD1 TYR 69 9.737 -3.424 -4.282 563 HD2 TYR 69 HD2 TYR 69 11.915 -5.172 -1.016 564 HE1 TYR 69 HE1 TYR 69 11.740 -2.105 -4.910 565 HE2 TYR 69 HE2 TYR 69 13.917 -3.851 -1.646 566 HH TYR 69 HH TYR 69 14.082 -2.069 -4.626 567 H MET 70 H MET 70 6.540 -3.816 -0.701 568 HA MET 70 HA MET 70 5.388 -6.526 -0.150 569 HB2 MET 70 HB3 MET 70 5.843 -4.861 1.834 570 HB3 MET 70 HB2 MET 70 4.410 -4.034 1.222 571 HG2 MET 70 HG3 MET 70 3.005 -5.680 1.924 572 HG3 MET 70 HG2 MET 70 4.125 -6.961 1.457 573 HE1 MET 70 HE1 MET 70 6.318 -7.251 2.469 574 HE2 MET 70 HE2 MET 70 6.657 -7.207 4.197 575 HE3 MET 70 HE3 MET 70 6.856 -5.748 3.231 576 H ARG 71 H ARG 71 3.683 -6.939 -1.497 577 HA ARG 71 HA ARG 71 2.150 -4.617 -2.607 578 HB2 ARG 71 HB3 ARG 71 2.259 -5.662 -4.793 579 HB3 ARG 71 HB2 ARG 71 3.903 -5.564 -4.161 580 HG2 ARG 71 HG3 ARG 71 3.836 -7.889 -3.470 581 HG3 ARG 71 HG2 ARG 71 2.131 -8.011 -3.906 582 HD2 ARG 71 HD3 ARG 71 4.345 -7.359 -5.885 583 HD3 ARG 71 HD2 ARG 71 3.633 -8.971 -5.670 584 HE ARG 71 HE ARG 71 1.422 -7.359 -5.992 585 HH11 ARG 71 HH11 ARG 71 4.370 -7.836 -7.727 586 HH12 ARG 71 HH12 ARG 71 3.674 -7.458 -9.267 587 HH21 ARG 71 HH21 ARG 71 0.506 -6.861 -7.993 588 HH22 ARG 71 HH22 ARG 71 1.490 -6.906 -9.418 589 H PHE 72 H PHE 72 -0.074 -4.987 -2.763 590 HA PHE 72 HA PHE 72 -1.153 -7.721 -2.451 591 HB2 PHE 72 HB3 PHE 72 -2.550 -6.733 -0.460 592 HB3 PHE 72 HB2 PHE 72 -0.897 -7.262 -0.160 593 HD1 PHE 72 HD1 PHE 72 -2.900 -4.234 -1.078 594 HD2 PHE 72 HD2 PHE 72 0.685 -5.768 0.720 595 HE1 PHE 72 HE1 PHE 72 -2.296 -1.947 -0.331 596 HE2 PHE 72 HE2 PHE 72 1.289 -3.483 1.468 597 HZ PHE 72 HZ PHE 72 -0.201 -1.571 0.942 598 H HIS 73 H HIS 73 -3.394 -7.820 -3.063 599 HA HIS 73 HA HIS 73 -4.271 -5.559 -4.752 600 HB2 HIS 73 HB3 HIS 73 -5.701 -8.172 -4.236 601 HB3 HIS 73 HB2 HIS 73 -5.750 -7.172 -5.687 602 HD1 HIS 73 HD1 HIS 73 -2.456 -6.837 -5.437 603 HD2 HIS 73 HD2 HIS 73 -4.681 -10.332 -5.893 604 HE1 HIS 73 HE1 HIS 73 -0.887 -8.561 -6.426 605 H VAL 74 H VAL 74 -6.291 -4.478 -4.447 606 HA VAL 74 HA VAL 74 -7.541 -4.858 -1.745 607 HB VAL 74 HB VAL 74 -7.140 -2.300 -3.331 608 HG11 VAL 74 HG11 VAL 74 -9.089 -2.254 -1.830 609 HG12 VAL 74 HG12 VAL 74 -7.804 -1.222 -1.200 610 HG13 VAL 74 HG13 VAL 74 -8.084 -2.814 -0.492 611 HG21 VAL 74 HG21 VAL 74 -5.634 -2.006 -1.101 612 HG22 VAL 74 HG22 VAL 74 -4.985 -2.644 -2.613 613 HG23 VAL 74 HG23 VAL 74 -5.481 -3.748 -1.331 614 H GLU 75 H GLU 75 -9.726 -5.243 -1.832 615 HA GLU 75 HA GLU 75 -11.090 -4.908 -4.470 616 HB2 GLU 75 HB3 GLU 75 -10.881 -6.983 -2.593 617 HB3 GLU 75 HB2 GLU 75 -12.519 -6.361 -2.391 618 HG2 GLU 75 HG3 GLU 75 -12.901 -6.576 -4.822 619 HG3 GLU 75 HG2 GLU 75 -11.267 -7.212 -5.019 620 H SER 76 H SER 76 -12.403 -3.144 -4.625 621 HA SER 76 HA SER 76 -13.626 -2.047 -2.116 622 HB2 SER 76 HB3 SER 76 -12.773 -0.824 -4.752 623 HB3 SER 76 HB2 SER 76 -13.739 0.054 -3.570 624 HG SER 76 HG SER 76 -11.077 -0.544 -3.576 625 H LYS 77 H LYS 77 -15.829 -1.042 -2.491 626 HA LYS 77 HA LYS 77 -17.604 -2.902 -3.809 627 HB2 LYS 77 HB3 LYS 77 -17.685 -0.497 -2.140 628 HB3 LYS 77 HB2 LYS 77 -19.003 -0.548 -3.313 629 HG2 LYS 77 HG3 LYS 77 -19.720 -2.710 -2.530 630 HG3 LYS 77 HG2 LYS 77 -18.286 -2.877 -1.514 631 HD2 LYS 77 HD3 LYS 77 -19.730 -0.411 -0.943 632 HD3 LYS 77 HD2 LYS 77 -20.750 -1.833 -0.720 633 HE2 LYS 77 HE3 LYS 77 -19.250 -2.790 0.872 634 HE3 LYS 77 HE2 LYS 77 -17.954 -1.655 0.441 635 HZ1 LYS 77 HZ1 LYS 77 -20.532 -1.050 1.776 636 HZ2 LYS 77 HZ2 LYS 77 -19.560 0.155 1.077 637 HZ3 LYS 77 HZ3 LYS 77 -18.966 -0.777 2.369 638 H LYS 78 H LYS 78 -15.868 -0.112 -4.895 639 HA LYS 78 HA LYS 78 -17.681 0.303 -7.215 640 HB2 LYS 78 HB3 LYS 78 -15.123 1.736 -6.448 641 HB3 LYS 78 HB2 LYS 78 -16.408 2.329 -7.500 642 HG2 LYS 78 HG3 LYS 78 -17.639 1.620 -5.049 643 HG3 LYS 78 HG2 LYS 78 -16.194 2.544 -4.639 644 HD2 LYS 78 HD3 LYS 78 -17.094 4.465 -5.405 645 HD3 LYS 78 HD2 LYS 78 -17.618 3.702 -6.906 646 HE2 LYS 78 HE3 LYS 78 -19.101 3.165 -4.330 647 HE3 LYS 78 HE2 LYS 78 -19.467 4.600 -5.309 648 HZ1 LYS 78 HZ1 LYS 78 -20.752 2.557 -5.930 649 HZ2 LYS 78 HZ2 LYS 78 -19.288 1.861 -6.438 650 HZ3 LYS 78 HZ3 LYS 78 -19.879 3.260 -7.203 651 H LYS 79 H LYS 79 -14.560 -1.080 -6.393 652 HA LYS 79 HA LYS 79 -14.323 -2.526 -8.849 653 HB2 LYS 79 HB3 LYS 79 -13.753 0.246 -8.993 654 HB3 LYS 79 HB2 LYS 79 -12.199 -0.583 -9.080 655 HG2 LYS 79 HG3 LYS 79 -13.186 -2.079 -10.854 656 HG3 LYS 79 HG2 LYS 79 -14.612 -1.042 -10.854 657 HD2 LYS 79 HD3 LYS 79 -11.777 -0.294 -11.600 658 HD3 LYS 79 HD2 LYS 79 -13.217 -0.228 -12.617 659 HE2 LYS 79 HE3 LYS 79 -14.135 1.606 -11.333 660 HE3 LYS 79 HE2 LYS 79 -12.858 1.451 -10.110 661 HZ1 LYS 79 HZ1 LYS 79 -12.607 2.309 -12.929 662 HZ2 LYS 79 HZ2 LYS 79 -11.269 1.713 -12.068 663 HZ3 LYS 79 HZ3 LYS 79 -12.074 3.109 -11.532 664 H ILE 80 H ILE 80 -11.622 -2.772 -9.165 665 HA ILE 80 HA ILE 80 -10.629 -3.513 -6.430 666 HB ILE 80 HB ILE 80 -10.279 -4.835 -9.141 667 HG12 ILE 80 HG13 ILE 80 -11.301 -6.674 -7.345 668 HG13 ILE 80 HG12 ILE 80 -12.109 -5.181 -6.866 669 HG21 ILE 80 HG21 ILE 80 -9.203 -6.644 -7.618 670 HG22 ILE 80 HG22 ILE 80 -9.007 -5.335 -6.453 671 HG23 ILE 80 HG23 ILE 80 -8.234 -5.232 -8.035 672 HD11 ILE 80 HD11 ILE 80 -12.171 -5.177 -9.675 673 HD12 ILE 80 HD12 ILE 80 -13.526 -5.485 -8.589 674 HD13 ILE 80 HD13 ILE 80 -12.566 -6.831 -9.206 675 H ALA 81 H ALA 81 -8.453 -2.957 -5.991 676 HA ALA 81 HA ALA 81 -7.008 -1.484 -8.171 677 HB1 ALA 81 HB1 ALA 81 -6.745 -0.613 -5.335 678 HB2 ALA 81 HB2 ALA 81 -8.288 -0.291 -6.124 679 HB3 ALA 81 HB3 ALA 81 -6.797 0.357 -6.806 680 H LEU 82 H LEU 82 -4.685 -1.485 -7.951 681 HA LEU 82 HA LEU 82 -3.633 -3.720 -6.250 682 HB2 LEU 82 HB3 LEU 82 -3.493 -4.091 -8.664 683 HB3 LEU 82 HB2 LEU 82 -2.722 -2.523 -8.888 684 HG LEU 82 HG LEU 82 -1.186 -4.594 -8.839 685 HD11 LEU 82 HD11 LEU 82 -0.079 -2.921 -6.738 686 HD12 LEU 82 HD12 LEU 82 -0.849 -1.943 -7.988 687 HD13 LEU 82 HD13 LEU 82 0.428 -3.080 -8.420 688 HD21 LEU 82 HD21 LEU 82 -0.579 -5.424 -6.629 689 HD22 LEU 82 HD22 LEU 82 -2.319 -5.615 -6.850 690 HD23 LEU 82 HD23 LEU 82 -1.696 -4.293 -5.864 691 H VAL 83 H VAL 83 -2.294 -3.047 -4.620 692 HA VAL 83 HA VAL 83 -1.129 -0.295 -4.812 693 HB VAL 83 HB VAL 83 -1.734 -2.026 -2.399 694 HG11 VAL 83 HG11 VAL 83 -0.056 0.115 -2.554 695 HG12 VAL 83 HG12 VAL 83 -0.978 -0.303 -1.110 696 HG13 VAL 83 HG13 VAL 83 -1.586 0.925 -2.219 697 HG21 VAL 83 HG21 VAL 83 -3.318 0.180 -3.748 698 HG22 VAL 83 HG22 VAL 83 -3.675 -0.438 -2.135 699 HG23 VAL 83 HG23 VAL 83 -3.809 -1.500 -3.536 700 H HIS 84 H HIS 84 1.059 -0.086 -4.758 701 HA HIS 84 HA HIS 84 2.711 -2.430 -3.878 702 HB2 HIS 84 HB3 HIS 84 2.625 -2.216 -6.340 703 HB3 HIS 84 HB2 HIS 84 3.137 -0.532 -6.213 704 HD1 HIS 84 HD1 HIS 84 4.726 -2.857 -3.823 705 HD2 HIS 84 HD2 HIS 84 5.570 -1.352 -7.618 706 HE1 HIS 84 HE1 HIS 84 7.168 -3.363 -4.269 707 H LEU 85 H LEU 85 4.202 -1.829 -2.318 708 HA LEU 85 HA LEU 85 4.973 1.060 -2.158 709 HB2 LEU 85 HB3 LEU 85 4.520 1.010 0.228 710 HB3 LEU 85 HB2 LEU 85 3.085 0.430 -0.619 711 HG LEU 85 HG LEU 85 4.246 -1.927 -0.313 712 HD11 LEU 85 HD11 LEU 85 5.946 -2.059 1.176 713 HD12 LEU 85 HD12 LEU 85 5.146 -0.966 2.305 714 HD13 LEU 85 HD13 LEU 85 6.098 -0.314 0.971 715 HD21 LEU 85 HD21 LEU 85 3.151 -1.950 2.067 716 HD22 LEU 85 HD22 LEU 85 2.130 -1.643 0.662 717 HD23 LEU 85 HD23 LEU 85 2.669 -0.300 1.670 718 H GLU 86 H GLU 86 7.060 1.427 -1.320 719 HA GLU 86 HA GLU 86 8.749 -1.019 -0.893 720 HB2 GLU 86 HB3 GLU 86 8.933 0.606 -2.982 721 HB3 GLU 86 HB2 GLU 86 9.812 1.625 -1.842 722 HG2 GLU 86 HG3 GLU 86 10.484 -1.295 -2.232 723 HG3 GLU 86 HG2 GLU 86 11.224 -0.023 -3.204 724 H ALA 87 H ALA 87 9.896 -1.040 1.046 725 HA ALA 87 HA ALA 87 9.978 1.520 2.609 726 HB1 ALA 87 HB1 ALA 87 9.875 -0.655 4.392 727 HB2 ALA 87 HB2 ALA 87 8.708 -1.035 3.125 728 HB3 ALA 87 HB3 ALA 87 8.570 0.474 4.030 729 H LYS 88 H LYS 88 11.822 1.778 3.962 730 HA LYS 88 HA LYS 88 14.033 -0.208 3.553 731 HB2 LYS 88 HB3 LYS 88 15.535 1.731 3.329 732 HB3 LYS 88 HB2 LYS 88 14.236 1.836 2.140 733 HG2 LYS 88 HG3 LYS 88 13.726 3.864 2.957 734 HG3 LYS 88 HG2 LYS 88 13.250 3.088 4.467 735 HD2 LYS 88 HD3 LYS 88 15.997 3.116 4.672 736 HD3 LYS 88 HD2 LYS 88 15.669 4.638 3.843 737 HE2 LYS 88 HE3 LYS 88 14.221 5.395 5.600 738 HE3 LYS 88 HE2 LYS 88 14.181 3.785 6.347 739 HZ1 LYS 88 HZ1 LYS 88 16.837 4.310 6.101 740 HZ2 LYS 88 HZ2 LYS 88 15.931 4.476 7.529 741 HZ3 LYS 88 HZ3 LYS 88 16.200 5.823 6.530 742 H GLU 89 H GLU 89 15.309 -0.576 5.418 743 HA GLU 89 HA GLU 89 14.120 0.275 7.973 744 HB2 GLU 89 HB3 GLU 89 15.890 -1.296 8.842 745 HB3 GLU 89 HB2 GLU 89 14.824 -2.025 7.640 746 HG2 GLU 89 HG3 GLU 89 16.502 -2.280 6.138 747 HG3 GLU 89 HG2 GLU 89 17.169 -0.685 6.479 748 H SER 90 H SER 90 15.037 1.726 9.405 749 HA SER 90 HA SER 90 17.263 3.405 8.415 750 HB2 SER 90 HB3 SER 90 16.131 3.975 11.054 751 HB3 SER 90 HB2 SER 90 16.181 4.996 9.621 752 HG SER 90 HG SER 90 14.163 4.508 9.362 753 H LYS 91 H LYS 91 19.203 3.719 9.650 754 HA LYS 91 HA LYS 91 20.535 1.555 10.740 755 HB2 LYS 91 HB3 LYS 91 20.914 4.296 10.441 756 HB3 LYS 91 HB2 LYS 91 21.077 4.048 12.179 757 HG2 LYS 91 HG3 LYS 91 22.443 1.929 10.796 758 HG3 LYS 91 HG2 LYS 91 22.998 3.482 10.169 759 HD2 LYS 91 HD3 LYS 91 24.244 3.770 12.017 760 HD3 LYS 91 HD2 LYS 91 22.777 3.738 12.997 761 HE2 LYS 91 HE3 LYS 91 23.860 1.903 13.915 762 HE3 LYS 91 HE2 LYS 91 23.057 1.083 12.561 763 HZ1 LYS 91 HZ1 LYS 91 24.991 1.499 11.188 764 HZ2 LYS 91 HZ2 LYS 91 25.450 0.640 12.580 765 HZ3 LYS 91 HZ3 LYS 91 25.765 2.306 12.464 766 H GLN 92 H GLN 92 21.159 1.222 13.114 767 HA GLN 92 HA GLN 92 20.553 0.797 15.362 768 HB2 GLN 92 HB3 GLN 92 19.893 3.357 14.831 769 HB3 GLN 92 HB2 GLN 92 18.285 2.716 15.165 770 HG2 GLN 92 HG3 GLN 92 18.895 3.221 17.324 771 HG3 GLN 92 HG2 GLN 92 19.605 1.610 17.229 772 HE21 GLN 92 HE21 GLN 92 21.778 1.526 17.799 773 HE22 GLN 92 HE22 GLN 92 22.860 2.833 17.719 774 H ASN 93 H ASN 93 18.074 0.676 16.583 775 HA ASN 93 HA ASN 93 16.786 -1.549 15.090 776 HB2 ASN 93 HB3 ASN 93 17.515 -1.933 17.381 777 HB3 ASN 93 HB2 ASN 93 16.628 -0.513 17.937 778 HD21 ASN 93 HD21 ASN 93 14.738 -1.136 18.975 779 HD22 ASN 93 HD22 ASN 93 13.747 -2.433 18.509 780 H TYR 94 H TYR 94 16.364 1.430 14.507 781 HA TYR 94 HA TYR 94 13.752 2.214 15.416 782 HB2 TYR 94 HB3 TYR 94 15.796 3.013 13.451 783 HB3 TYR 94 HB2 TYR 94 14.152 3.428 12.967 784 HD1 TYR 94 HD1 TYR 94 12.650 4.515 14.841 785 HD2 TYR 94 HD2 TYR 94 16.944 4.433 14.909 786 HE1 TYR 94 HE1 TYR 94 12.660 6.418 16.431 787 HE2 TYR 94 HE2 TYR 94 16.955 6.337 16.499 788 HH TYR 94 HH TYR 94 14.354 8.293 17.038 789 H GLN 95 H GLN 95 11.802 2.350 13.966 790 HA GLN 95 HA GLN 95 11.258 -0.232 12.710 791 HB2 GLN 95 HB3 GLN 95 9.017 0.742 12.455 792 HB3 GLN 95 HB2 GLN 95 9.638 1.092 14.067 793 HG2 GLN 95 HG3 GLN 95 10.372 3.115 12.066 794 HG3 GLN 95 HG2 GLN 95 8.632 2.974 12.325 795 HE21 GLN 95 HE21 GLN 95 10.911 4.953 13.304 796 HE22 GLN 95 HE22 GLN 95 10.549 5.131 14.953 797 HA PRO 96 HA PRO 96 12.329 0.672 8.561 798 HB2 PRO 96 HB3 PRO 96 10.143 -0.514 7.281 799 HB3 PRO 96 HB2 PRO 96 11.605 -1.365 7.810 800 HG2 PRO 96 HG3 PRO 96 8.939 -1.217 9.088 801 HG3 PRO 96 HG2 PRO 96 10.121 -2.535 9.080 802 HD2 PRO 96 HD3 PRO 96 9.703 -0.938 11.230 803 HD3 PRO 96 HD2 PRO 96 11.274 -1.689 10.871 804 H ASP 97 H ASP 97 11.501 1.887 6.633 805 HA ASP 97 HA ASP 97 9.146 3.628 7.270 806 HB2 ASP 97 HB3 ASP 97 11.997 4.274 6.618 807 HB3 ASP 97 HB2 ASP 97 10.741 5.370 6.041 808 H PHE 98 H PHE 98 8.139 4.555 5.338 809 HA PHE 98 HA PHE 98 8.524 2.841 2.924 810 HB2 PHE 98 HB3 PHE 98 6.261 4.687 3.760 811 HB3 PHE 98 HB2 PHE 98 6.224 3.536 2.423 812 HD1 PHE 98 HD1 PHE 98 6.318 3.891 6.107 813 HD2 PHE 98 HD2 PHE 98 5.953 1.167 2.806 814 HE1 PHE 98 HE1 PHE 98 5.589 2.104 7.663 815 HE2 PHE 98 HE2 PHE 98 5.224 -0.621 4.361 816 HZ PHE 98 HZ PHE 98 5.041 -0.153 6.790 817 H ILE 99 H ILE 99 9.253 3.787 1.030 818 HA ILE 99 HA ILE 99 9.546 6.772 1.038 819 HB ILE 99 HB ILE 99 11.227 5.300 -0.849 820 HG12 ILE 99 HG13 ILE 99 11.092 3.556 0.939 821 HG13 ILE 99 HG12 ILE 99 12.709 4.240 0.781 822 HG21 ILE 99 HG21 ILE 99 11.311 7.709 0.234 823 HG22 ILE 99 HG22 ILE 99 12.800 6.863 -0.186 824 HG23 ILE 99 HG23 ILE 99 12.233 6.878 1.485 825 HD11 ILE 99 HD11 ILE 99 11.465 4.021 3.157 826 HD12 ILE 99 HD12 ILE 99 10.865 5.606 2.667 827 HD13 ILE 99 HD13 ILE 99 12.599 5.323 2.797 828 H ASN 100 H ASN 100 8.367 3.975 -0.694 829 HA ASN 100 HA ASN 100 7.277 5.816 -2.792 830 HB2 ASN 100 HB3 ASN 100 8.678 3.143 -3.072 831 HB3 ASN 100 HB2 ASN 100 7.747 3.875 -4.380 832 HD21 ASN 100 HD21 ASN 100 10.846 3.477 -3.654 833 HD22 ASN 100 HD22 ASN 100 11.499 4.974 -4.113 834 H MET 101 H MET 101 5.084 5.569 -2.988 835 HA MET 101 HA MET 101 3.841 2.923 -2.459 836 HB2 MET 101 HB3 MET 101 3.979 4.134 -0.297 837 HB3 MET 101 HB2 MET 101 3.116 5.495 -1.016 838 HG2 MET 101 HG3 MET 101 1.143 4.494 -0.611 839 HG3 MET 101 HG2 MET 101 1.648 3.080 -1.536 840 HE1 MET 101 HE1 MET 101 1.203 0.558 0.868 841 HE2 MET 101 HE2 MET 101 0.924 1.317 -0.697 842 HE3 MET 101 HE3 MET 101 -0.092 1.748 0.676 843 H TYR 102 H TYR 102 2.550 2.633 -4.247 844 HA TYR 102 HA TYR 102 0.782 4.870 -5.101 845 HB2 TYR 102 HB3 TYR 102 1.588 4.792 -7.359 846 HB3 TYR 102 HB2 TYR 102 3.021 4.867 -6.335 847 HD1 TYR 102 HD1 TYR 102 0.799 2.518 -8.189 848 HD2 TYR 102 HD2 TYR 102 4.637 3.131 -6.359 849 HE1 TYR 102 HE1 TYR 102 1.601 0.382 -9.159 850 HE2 TYR 102 HE2 TYR 102 5.439 0.994 -7.328 851 HH TYR 102 HH TYR 102 4.089 -0.528 -9.796 852 H VAL 103 H VAL 103 -1.015 4.095 -6.444 853 HA VAL 103 HA VAL 103 -1.409 1.120 -6.340 854 HB VAL 103 HB VAL 103 -3.402 3.342 -5.783 855 HG11 VAL 103 HG11 VAL 103 -4.825 1.424 -5.005 856 HG12 VAL 103 HG12 VAL 103 -3.617 0.319 -5.663 857 HG13 VAL 103 HG13 VAL 103 -4.503 1.399 -6.739 858 HG21 VAL 103 HG21 VAL 103 -3.275 2.046 -3.470 859 HG22 VAL 103 HG22 VAL 103 -2.105 3.308 -3.853 860 HG23 VAL 103 HG23 VAL 103 -1.667 1.612 -4.053 861 H ASP 104 H ASP 104 -2.662 0.260 -8.094 862 HA ASP 104 HA ASP 104 -2.772 2.040 -10.486 863 HB2 ASP 104 HB3 ASP 104 -2.743 -0.948 -10.013 864 HB3 ASP 104 HB2 ASP 104 -3.026 -0.250 -11.607 865 H VAL 105 H VAL 105 -4.769 2.944 -10.820 866 HA VAL 105 HA VAL 105 -7.205 1.556 -9.842 867 HB VAL 105 HB VAL 105 -7.017 4.218 -11.261 868 HG11 VAL 105 HG11 VAL 105 -8.758 3.395 -8.934 869 HG12 VAL 105 HG12 VAL 105 -9.223 3.062 -10.602 870 HG13 VAL 105 HG13 VAL 105 -9.002 4.726 -10.064 871 HG21 VAL 105 HG21 VAL 105 -6.106 3.462 -8.502 872 HG22 VAL 105 HG22 VAL 105 -6.861 5.036 -8.747 873 HG23 VAL 105 HG23 VAL 105 -5.396 4.614 -9.633 874 HA PRO 106 HA PRO 106 -7.586 -0.200 -13.946 875 HB2 PRO 106 HB3 PRO 106 -10.291 -0.920 -12.992 876 HB3 PRO 106 HB2 PRO 106 -8.988 -1.971 -13.573 877 HG2 PRO 106 HG3 PRO 106 -9.705 -1.825 -10.979 878 HG3 PRO 106 HG2 PRO 106 -8.056 -2.187 -11.508 879 HD2 PRO 106 HD3 PRO 106 -9.159 0.310 -10.351 880 HD3 PRO 106 HD2 PRO 106 -7.520 -0.367 -10.242 881 H GLY 107 H GLY 107 -8.200 0.988 -15.702 882 HA2 GLY 107 HA3 GLY 107 -9.675 2.196 -17.115 883 HA3 GLY 107 HA2 GLY 107 -10.840 2.265 -15.794 884 H GLU 108 H GLU 108 -8.491 3.287 -14.040 885 HA GLU 108 HA GLU 108 -8.630 6.118 -15.021 886 HB2 GLU 108 HB3 GLU 108 -9.108 4.764 -12.432 887 HB3 GLU 108 HB2 GLU 108 -8.205 6.278 -12.329 888 HG2 GLU 108 HG3 GLU 108 -9.953 7.480 -13.486 889 HG3 GLU 108 HG2 GLU 108 -10.813 5.982 -13.843 890 H LYS 109 H LYS 109 -6.764 7.472 -14.232 891 HA LYS 109 HA LYS 109 -4.232 6.252 -14.891 892 HB2 LYS 109 HB3 LYS 109 -5.341 8.879 -14.083 893 HB3 LYS 109 HB2 LYS 109 -3.632 8.638 -13.719 894 HG2 LYS 109 HG3 LYS 109 -3.280 7.918 -16.091 895 HG3 LYS 109 HG2 LYS 109 -4.961 8.338 -16.425 896 HD2 LYS 109 HD3 LYS 109 -3.801 10.547 -15.061 897 HD3 LYS 109 HD2 LYS 109 -2.678 10.075 -16.336 898 HE2 LYS 109 HE3 LYS 109 -4.479 10.189 -18.006 899 HE3 LYS 109 HE2 LYS 109 -5.646 10.604 -16.734 900 HZ1 LYS 109 HZ1 LYS 109 -4.116 12.471 -16.138 901 HZ2 LYS 109 HZ2 LYS 109 -4.882 12.640 -17.646 902 HZ3 LYS 109 HZ3 LYS 109 -3.256 12.152 -17.565 903 H ARG 110 H ARG 110 -2.442 5.856 -13.481 904 HA ARG 110 HA ARG 110 -3.123 4.875 -10.831 905 HB2 ARG 110 HB3 ARG 110 -0.506 5.329 -12.301 906 HB3 ARG 110 HB2 ARG 110 -0.657 4.428 -10.792 907 HG2 ARG 110 HG3 ARG 110 -1.589 2.615 -11.816 908 HG3 ARG 110 HG2 ARG 110 -2.509 3.604 -12.950 909 HD2 ARG 110 HD3 ARG 110 0.177 4.043 -13.650 910 HD3 ARG 110 HD2 ARG 110 0.054 2.297 -13.353 911 HE ARG 110 HE ARG 110 -2.218 3.298 -14.858 912 HH11 ARG 110 HH11 ARG 110 1.079 2.277 -15.011 913 HH12 ARG 110 HH12 ARG 110 0.985 1.789 -16.669 914 HH21 ARG 110 HH21 ARG 110 -2.348 2.672 -17.024 915 HH22 ARG 110 HH22 ARG 110 -0.952 2.012 -17.808 916 H TYR 111 H TYR 111 -2.706 5.866 -8.845 917 HA TYR 111 HA TYR 111 -1.651 8.674 -8.949 918 HB2 TYR 111 HB3 TYR 111 -4.103 8.202 -8.386 919 HB3 TYR 111 HB2 TYR 111 -3.517 7.459 -6.898 920 HD1 TYR 111 HD1 TYR 111 -3.959 10.599 -8.741 921 HD2 TYR 111 HD2 TYR 111 -2.382 8.802 -5.174 922 HE1 TYR 111 HE1 TYR 111 -3.756 12.841 -7.704 923 HE2 TYR 111 HE2 TYR 111 -2.178 11.046 -4.134 924 HH TYR 111 HH TYR 111 -2.122 13.306 -4.639 925 H TYR 112 H TYR 112 0.134 9.088 -7.680 926 HA TYR 112 HA TYR 112 1.284 6.861 -6.113 927 HB2 TYR 112 HB3 TYR 112 3.282 8.139 -6.261 928 HB3 TYR 112 HB2 TYR 112 2.461 8.439 -7.792 929 HD1 TYR 112 HD1 TYR 112 1.273 10.579 -8.189 930 HD2 TYR 112 HD2 TYR 112 3.519 9.875 -4.596 931 HE1 TYR 112 HE1 TYR 112 1.246 13.009 -7.695 932 HE2 TYR 112 HE2 TYR 112 3.492 12.305 -4.102 933 HH TYR 112 HH TYR 112 1.523 14.526 -5.917 934 H LEU 113 H LEU 113 1.585 6.932 -3.862 935 HA LEU 113 HA LEU 113 0.043 9.045 -2.421 936 HB2 LEU 113 HB3 LEU 113 0.324 6.208 -2.258 937 HB3 LEU 113 HB2 LEU 113 0.961 6.891 -0.761 938 HG LEU 113 HG LEU 113 -1.230 8.383 -0.906 939 HD11 LEU 113 HD11 LEU 113 -3.041 6.625 -1.731 940 HD12 LEU 113 HD12 LEU 113 -1.709 6.065 -2.744 941 HD13 LEU 113 HD13 LEU 113 -2.275 7.731 -2.872 942 HD21 LEU 113 HD21 LEU 113 -2.379 6.678 0.488 943 HD22 LEU 113 HD22 LEU 113 -0.679 6.840 0.930 944 HD23 LEU 113 HD23 LEU 113 -1.210 5.471 -0.046 945 H ILE 114 H ILE 114 3.207 7.414 -2.488 946 HA ILE 114 HA ILE 114 4.286 9.596 -0.729 947 HB ILE 114 HB ILE 114 5.030 6.676 -1.077 948 HG12 ILE 114 HG13 ILE 114 3.987 8.290 1.275 949 HG13 ILE 114 HG12 ILE 114 3.078 7.088 0.354 950 HG21 ILE 114 HG21 ILE 114 6.958 8.401 -0.765 951 HG22 ILE 114 HG22 ILE 114 6.903 7.002 0.308 952 HG23 ILE 114 HG23 ILE 114 6.329 8.570 0.875 953 HD11 ILE 114 HD11 ILE 114 4.336 6.456 2.631 954 HD12 ILE 114 HD12 ILE 114 5.689 6.236 1.522 955 HD13 ILE 114 HD13 ILE 114 4.204 5.312 1.296 956 H LYS 115 H LYS 115 4.951 7.460 -3.504 957 HA LYS 115 HA LYS 115 7.505 8.457 -4.236 958 HB2 LYS 115 HB3 LYS 115 6.074 6.467 -5.082 959 HB3 LYS 115 HB2 LYS 115 5.338 7.639 -6.175 960 HG2 LYS 115 HG3 LYS 115 7.476 8.154 -7.176 961 HG3 LYS 115 HG2 LYS 115 8.325 7.182 -5.973 962 HD2 LYS 115 HD3 LYS 115 7.706 5.185 -6.943 963 HD3 LYS 115 HD2 LYS 115 6.190 5.837 -7.565 964 HE2 LYS 115 HE3 LYS 115 8.967 6.396 -8.672 965 HE3 LYS 115 HE2 LYS 115 7.686 5.447 -9.454 966 HZ1 LYS 115 HZ1 LYS 115 6.359 7.671 -8.841 967 HZ2 LYS 115 HZ2 LYS 115 7.136 7.436 -10.334 968 HZ3 LYS 115 HZ3 LYS 115 7.901 8.327 -9.106 Start of MODEL 16 1 H1 GLY 1 H GLY 1 2.651 -13.417 11.209 2 HA2 GLY 1 HA3 GLY 1 3.495 -12.544 13.265 3 HA3 GLY 1 HA2 GLY 1 5.054 -12.282 12.482 4 H SER 2 H SER 2 5.467 -10.293 11.510 5 HA SER 2 HA SER 2 3.410 -8.178 11.987 6 HB2 SER 2 HB3 SER 2 6.174 -7.479 11.196 7 HB3 SER 2 HB2 SER 2 5.197 -6.854 12.519 8 HG SER 2 HG SER 2 6.826 -9.137 12.395 9 H ASP 3 H ASP 3 4.707 -10.061 9.487 10 HA ASP 3 HA ASP 3 5.011 -8.268 7.320 11 HB2 ASP 3 HB3 ASP 3 3.794 -11.049 7.332 12 HB3 ASP 3 HB2 ASP 3 4.603 -10.268 5.972 13 H THR 4 H THR 4 2.058 -9.890 8.516 14 HA THR 4 HA THR 4 0.283 -8.786 6.540 15 HB THR 4 HB THR 4 -0.003 -9.954 9.313 16 HG1 THR 4 HG1 THR 4 -1.262 -11.298 7.440 17 HG21 THR 4 HG21 THR 4 -2.247 -9.189 7.426 18 HG22 THR 4 HG22 THR 4 -1.836 -8.315 8.902 19 HG23 THR 4 HG23 THR 4 -2.420 -9.977 8.995 20 H GLN 5 H GLN 5 1.393 -7.667 9.710 21 HA GLN 5 HA GLN 5 -0.468 -5.471 9.965 22 HB2 GLN 5 HB3 GLN 5 2.319 -5.811 11.118 23 HB3 GLN 5 HB2 GLN 5 1.005 -4.849 11.795 24 HG2 GLN 5 HG3 GLN 5 1.145 -7.862 11.546 25 HG3 GLN 5 HG2 GLN 5 1.041 -6.908 13.026 26 HE21 GLN 5 HE21 GLN 5 -0.880 -8.996 11.955 27 HE22 GLN 5 HE22 GLN 5 -2.379 -8.204 11.865 28 H LEU 6 H LEU 6 2.689 -5.860 8.424 29 HA LEU 6 HA LEU 6 3.360 -3.108 8.060 30 HB2 LEU 6 HB3 LEU 6 4.072 -5.766 6.973 31 HB3 LEU 6 HB2 LEU 6 4.407 -4.413 5.890 32 HG LEU 6 HG LEU 6 5.258 -3.531 8.409 33 HD11 LEU 6 HD11 LEU 6 6.971 -5.475 8.808 34 HD12 LEU 6 HD12 LEU 6 5.772 -6.462 7.973 35 HD13 LEU 6 HD13 LEU 6 5.340 -5.621 9.462 36 HD21 LEU 6 HD21 LEU 6 7.509 -3.715 7.371 37 HD22 LEU 6 HD22 LEU 6 6.325 -3.055 6.243 38 HD23 LEU 6 HD23 LEU 6 6.829 -4.739 6.108 39 H PHE 7 H PHE 7 1.451 -5.350 6.042 40 HA PHE 7 HA PHE 7 0.978 -3.381 3.951 41 HB2 PHE 7 HB3 PHE 7 0.463 -5.331 2.924 42 HB3 PHE 7 HB2 PHE 7 0.643 -6.174 4.458 43 HD1 PHE 7 HD1 PHE 7 -1.171 -7.450 5.127 44 HD2 PHE 7 HD2 PHE 7 -1.874 -3.897 2.817 45 HE1 PHE 7 HE1 PHE 7 -3.608 -7.901 5.174 46 HE2 PHE 7 HE2 PHE 7 -4.313 -4.351 2.863 47 HZ PHE 7 HZ PHE 7 -5.179 -6.354 4.043 48 H ASN 8 H ASN 8 -0.800 -4.529 6.806 49 HA ASN 8 HA ASN 8 -3.310 -3.313 6.355 50 HB2 ASN 8 HB3 ASN 8 -1.632 -4.018 8.750 51 HB3 ASN 8 HB2 ASN 8 -3.176 -3.196 8.981 52 HD21 ASN 8 HD21 ASN 8 -2.070 -6.191 9.247 53 HD22 ASN 8 HD22 ASN 8 -3.349 -7.089 8.586 54 H ARG 9 H ARG 9 -0.497 -1.939 8.114 55 HA ARG 9 HA ARG 9 -1.628 0.626 8.612 56 HB2 ARG 9 HB3 ARG 9 0.761 1.259 8.916 57 HB3 ARG 9 HB2 ARG 9 0.384 -0.280 9.691 58 HG2 ARG 9 HG3 ARG 9 1.289 -1.496 7.760 59 HG3 ARG 9 HG2 ARG 9 1.633 0.030 6.945 60 HD2 ARG 9 HD3 ARG 9 2.784 -0.648 9.667 61 HD3 ARG 9 HD2 ARG 9 3.628 -1.008 8.148 62 HE ARG 9 HE ARG 9 2.835 1.649 7.891 63 HH11 ARG 9 HH11 ARG 9 4.667 -0.234 10.136 64 HH12 ARG 9 HH12 ARG 9 5.695 1.080 10.597 65 HH21 ARG 9 HH21 ARG 9 4.169 3.369 8.485 66 HH22 ARG 9 HH22 ARG 9 5.414 3.119 9.663 67 H ALA 10 H ALA 10 0.179 -0.624 5.814 68 HA ALA 10 HA ALA 10 0.418 1.909 4.446 69 HB1 ALA 10 HB1 ALA 10 0.531 -1.010 3.654 70 HB2 ALA 10 HB2 ALA 10 1.879 0.104 3.882 71 HB3 ALA 10 HB3 ALA 10 0.813 0.284 2.490 72 H VAL 11 H VAL 11 -1.904 -0.791 4.204 73 HA VAL 11 HA VAL 11 -3.489 0.379 2.106 74 HB VAL 11 HB VAL 11 -3.207 -2.041 3.343 75 HG11 VAL 11 HG11 VAL 11 -4.493 -1.467 5.315 76 HG12 VAL 11 HG12 VAL 11 -5.452 -2.575 4.334 77 HG13 VAL 11 HG13 VAL 11 -5.816 -0.849 4.323 78 HG21 VAL 11 HG21 VAL 11 -4.486 -1.024 1.143 79 HG22 VAL 11 HG22 VAL 11 -5.830 -1.712 2.054 80 HG23 VAL 11 HG23 VAL 11 -4.467 -2.729 1.590 81 H SER 12 H SER 12 -3.529 0.612 5.627 82 HA SER 12 HA SER 12 -6.120 1.719 5.997 83 HB2 SER 12 HB3 SER 12 -3.473 2.003 7.428 84 HB3 SER 12 HB2 SER 12 -4.953 2.722 8.055 85 HG SER 12 HG SER 12 -4.114 0.222 8.284 86 H MET 13 H MET 13 -3.000 3.391 5.483 87 HA MET 13 HA MET 13 -4.192 6.033 5.417 88 HB2 MET 13 HB3 MET 13 -1.913 6.629 4.572 89 HB3 MET 13 HB2 MET 13 -1.853 5.614 6.012 90 HG2 MET 13 HG3 MET 13 -1.273 3.685 4.770 91 HG3 MET 13 HG2 MET 13 -1.773 4.414 3.245 92 HE1 MET 13 HE1 MET 13 1.449 4.386 1.971 93 HE2 MET 13 HE2 MET 13 0.056 3.401 2.414 94 HE3 MET 13 HE3 MET 13 1.562 3.237 3.312 95 H VAL 14 H VAL 14 -3.499 3.556 3.007 96 HA VAL 14 HA VAL 14 -3.880 5.281 0.693 97 HB VAL 14 HB VAL 14 -3.863 2.284 1.149 98 HG11 VAL 14 HG11 VAL 14 -4.761 2.121 -0.920 99 HG12 VAL 14 HG12 VAL 14 -3.245 2.793 -1.521 100 HG13 VAL 14 HG13 VAL 14 -4.612 3.858 -1.195 101 HG21 VAL 14 HG21 VAL 14 -1.608 2.405 0.289 102 HG22 VAL 14 HG22 VAL 14 -1.756 3.629 1.551 103 HG23 VAL 14 HG23 VAL 14 -1.812 4.102 -0.147 104 H GLU 15 H GLU 15 -5.939 2.952 2.445 105 HA GLU 15 HA GLU 15 -8.201 3.250 0.646 106 HB2 GLU 15 HB3 GLU 15 -9.267 1.793 2.232 107 HB3 GLU 15 HB2 GLU 15 -7.575 1.299 2.163 108 HG2 GLU 15 HG3 GLU 15 -7.099 2.663 4.171 109 HG3 GLU 15 HG2 GLU 15 -8.799 3.130 4.250 110 H LYS 16 H LYS 16 -7.031 5.015 3.422 111 HA LYS 16 HA LYS 16 -9.657 6.367 3.790 112 HB2 LYS 16 HB3 LYS 16 -8.738 7.057 5.879 113 HB3 LYS 16 HB2 LYS 16 -8.160 5.406 5.649 114 HG2 LYS 16 HG3 LYS 16 -6.064 6.193 5.907 115 HG3 LYS 16 HG2 LYS 16 -6.261 7.027 4.364 116 HD2 LYS 16 HD3 LYS 16 -7.632 8.593 6.272 117 HD3 LYS 16 HD2 LYS 16 -6.094 8.154 7.017 118 HE2 LYS 16 HE3 LYS 16 -5.422 8.797 4.371 119 HE3 LYS 16 HE2 LYS 16 -6.595 10.037 4.857 120 HZ1 LYS 16 HZ1 LYS 16 -4.588 10.822 5.707 121 HZ2 LYS 16 HZ2 LYS 16 -4.064 9.277 6.181 122 HZ3 LYS 16 HZ3 LYS 16 -5.301 10.059 7.043 123 H ASN 17 H ASN 17 -6.610 6.832 2.244 124 HA ASN 17 HA ASN 17 -6.128 9.583 2.363 125 HB2 ASN 17 HB3 ASN 17 -4.762 7.909 1.175 126 HB3 ASN 17 HB2 ASN 17 -6.033 7.723 -0.034 127 HD21 ASN 17 HD21 ASN 17 -3.164 8.863 -0.213 128 HD22 ASN 17 HD22 ASN 17 -3.376 10.376 -0.951 129 H LYS 18 H LYS 18 -7.446 11.303 1.916 130 HA LYS 18 HA LYS 18 -10.058 11.098 0.793 131 HB2 LYS 18 HB3 LYS 18 -9.866 13.577 0.736 132 HB3 LYS 18 HB2 LYS 18 -9.241 12.916 2.247 133 HG2 LYS 18 HG3 LYS 18 -6.946 13.022 1.352 134 HG3 LYS 18 HG2 LYS 18 -7.564 13.680 -0.162 135 HD2 LYS 18 HD3 LYS 18 -7.834 15.757 0.711 136 HD3 LYS 18 HD2 LYS 18 -8.481 15.132 2.229 137 HE2 LYS 18 HE3 LYS 18 -6.380 14.963 3.212 138 HE3 LYS 18 HE2 LYS 18 -5.559 14.734 1.656 139 HZ1 LYS 18 HZ1 LYS 18 -5.115 16.914 1.807 140 HZ2 LYS 18 HZ2 LYS 18 -6.300 17.184 2.993 141 HZ3 LYS 18 HZ3 LYS 18 -6.733 17.142 1.351 142 H ASP 19 H ASP 19 -6.906 11.722 -0.692 143 HA ASP 19 HA ASP 19 -7.867 12.588 -3.264 144 HB2 ASP 19 HB3 ASP 19 -5.301 11.235 -2.361 145 HB3 ASP 19 HB2 ASP 19 -5.516 12.043 -3.916 146 H ILE 20 H ILE 20 -6.918 9.381 -2.001 147 HA ILE 20 HA ILE 20 -7.308 7.972 -4.490 148 HB ILE 20 HB ILE 20 -7.349 7.056 -1.594 149 HG12 ILE 20 HG13 ILE 20 -5.286 8.266 -2.234 150 HG13 ILE 20 HG12 ILE 20 -4.964 6.549 -1.987 151 HG21 ILE 20 HG21 ILE 20 -8.118 5.592 -3.764 152 HG22 ILE 20 HG22 ILE 20 -7.361 4.898 -2.331 153 HG23 ILE 20 HG23 ILE 20 -6.384 5.273 -3.750 154 HD11 ILE 20 HD11 ILE 20 -3.875 6.959 -4.016 155 HD12 ILE 20 HD12 ILE 20 -5.111 8.091 -4.563 156 HD13 ILE 20 HD13 ILE 20 -5.443 6.359 -4.556 157 H ARG 21 H ARG 21 -9.420 8.728 -1.741 158 HA ARG 21 HA ARG 21 -11.583 6.989 -2.271 159 HB2 ARG 21 HB3 ARG 21 -11.382 8.376 -0.273 160 HB3 ARG 21 HB2 ARG 21 -11.491 9.845 -1.245 161 HG2 ARG 21 HG3 ARG 21 -13.746 8.381 -1.988 162 HG3 ARG 21 HG2 ARG 21 -13.630 8.133 -0.246 163 HD2 ARG 21 HD3 ARG 21 -13.141 10.920 -1.110 164 HD3 ARG 21 HD2 ARG 21 -14.796 10.334 -1.374 165 HE ARG 21 HE ARG 21 -13.898 9.495 1.214 166 HH11 ARG 21 HH11 ARG 21 -14.874 12.273 -0.592 167 HH12 ARG 21 HH12 ARG 21 -15.478 13.120 0.791 168 HH21 ARG 21 HH21 ARG 21 -14.669 10.600 3.028 169 HH22 ARG 21 HH22 ARG 21 -15.363 12.175 2.838 170 H SER 22 H SER 22 -10.767 10.127 -3.733 171 HA SER 22 HA SER 22 -13.182 10.483 -5.235 172 HB2 SER 22 HB3 SER 22 -10.310 11.361 -5.665 173 HB3 SER 22 HB2 SER 22 -11.672 11.988 -6.587 174 HG SER 22 HG SER 22 -11.592 12.003 -3.756 175 H LEU 23 H LEU 23 -10.115 8.840 -5.997 176 HA LEU 23 HA LEU 23 -10.852 8.163 -8.723 177 HB2 LEU 23 HB3 LEU 23 -8.851 6.806 -6.892 178 HB3 LEU 23 HB2 LEU 23 -8.791 6.919 -8.651 179 HG LEU 23 HG LEU 23 -8.401 9.141 -6.636 180 HD11 LEU 23 HD11 LEU 23 -6.460 9.218 -8.635 181 HD12 LEU 23 HD12 LEU 23 -6.706 7.495 -8.348 182 HD13 LEU 23 HD13 LEU 23 -6.254 8.556 -7.013 183 HD21 LEU 23 HD21 LEU 23 -8.926 9.282 -9.618 184 HD22 LEU 23 HD22 LEU 23 -8.188 10.600 -8.708 185 HD23 LEU 23 HD23 LEU 23 -9.829 10.079 -8.330 186 H LEU 24 H LEU 24 -10.827 6.385 -5.629 187 HA LEU 24 HA LEU 24 -12.073 4.011 -6.853 188 HB2 LEU 24 HB3 LEU 24 -10.598 4.763 -4.481 189 HB3 LEU 24 HB2 LEU 24 -12.064 3.897 -4.021 190 HG LEU 24 HG LEU 24 -10.905 2.579 -6.288 191 HD11 LEU 24 HD11 LEU 24 -8.896 3.862 -4.970 192 HD12 LEU 24 HD12 LEU 24 -8.691 2.318 -5.797 193 HD13 LEU 24 HD13 LEU 24 -8.971 2.355 -4.056 194 HD21 LEU 24 HD21 LEU 24 -11.125 1.799 -3.361 195 HD22 LEU 24 HD22 LEU 24 -10.850 0.684 -4.700 196 HD23 LEU 24 HD23 LEU 24 -12.375 1.563 -4.583 197 H GLN 25 H GLN 25 -13.248 6.974 -5.909 198 HA GLN 25 HA GLN 25 -15.410 7.738 -5.334 199 HB2 GLN 25 HB3 GLN 25 -16.121 4.920 -6.217 200 HB3 GLN 25 HB2 GLN 25 -17.199 6.316 -6.203 201 HG2 GLN 25 HG3 GLN 25 -15.640 7.455 -7.811 202 HG3 GLN 25 HG2 GLN 25 -14.723 5.952 -7.913 203 HE21 GLN 25 HE21 GLN 25 -15.553 4.285 -9.255 204 HE22 GLN 25 HE22 GLN 25 -17.018 4.404 -10.101 205 H CYS 26 H CYS 26 -13.730 6.336 -3.305 206 HA CYS 26 HA CYS 26 -15.377 4.622 -1.679 207 HB2 CYS 26 HB3 CYS 26 -12.865 4.805 -1.725 208 HB3 CYS 26 HB2 CYS 26 -13.014 6.369 -0.926 209 HG CYS 26 HG CYS 26 -13.406 3.636 0.411 210 H ASP 27 H ASP 27 -15.994 5.281 0.585 211 HA ASP 27 HA ASP 27 -16.837 8.146 0.787 212 HB2 ASP 27 HB3 ASP 27 -18.430 5.729 0.455 213 HB3 ASP 27 HB2 ASP 27 -18.868 6.587 1.932 214 H ASP 28 H ASP 28 -17.280 8.785 3.055 215 HA ASP 28 HA ASP 28 -16.746 7.011 5.276 216 HB2 ASP 28 HB3 ASP 28 -14.512 7.448 3.943 217 HB3 ASP 28 HB2 ASP 28 -14.542 8.997 4.787 218 H GLY 29 H GLY 29 -18.769 8.312 5.725 219 HA2 GLY 29 HA3 GLY 29 -18.096 10.637 7.385 220 HA3 GLY 29 HA2 GLY 29 -19.122 11.004 5.997 221 H ILE 30 H ILE 30 -20.115 11.412 8.557 222 HA ILE 30 HA ILE 30 -21.491 9.279 9.798 223 HB ILE 30 HB ILE 30 -21.192 11.639 10.600 224 HG12 ILE 30 HG13 ILE 30 -23.604 11.852 11.461 225 HG13 ILE 30 HG12 ILE 30 -23.956 10.413 10.504 226 HG21 ILE 30 HG21 ILE 30 -21.798 12.691 8.410 227 HG22 ILE 30 HG22 ILE 30 -22.689 13.370 9.772 228 HG23 ILE 30 HG23 ILE 30 -23.475 12.220 8.690 229 HD11 ILE 30 HD11 ILE 30 -23.317 9.293 12.380 230 HD12 ILE 30 HD12 ILE 30 -22.426 10.674 13.018 231 HD13 ILE 30 HD13 ILE 30 -21.684 9.630 11.805 232 H THR 31 H THR 31 -22.044 10.743 6.718 233 HA THR 31 HA THR 31 -24.875 9.895 6.559 234 HB THR 31 HB THR 31 -24.887 11.165 4.583 235 HG1 THR 31 HG1 THR 31 -22.573 11.622 3.730 236 HG21 THR 31 HG21 THR 31 -22.480 12.535 5.673 237 HG22 THR 31 HG22 THR 31 -23.855 12.342 6.759 238 HG23 THR 31 HG23 THR 31 -24.051 13.204 5.233 239 H GLY 32 H GLY 32 -21.703 8.734 5.696 240 HA2 GLY 32 HA3 GLY 32 -22.739 6.134 4.976 241 HA3 GLY 32 HA2 GLY 32 -22.199 7.025 3.553 242 H LYS 33 H LYS 33 -21.147 4.704 5.503 243 HA LYS 33 HA LYS 33 -18.327 5.730 5.568 244 HB2 LYS 33 HB3 LYS 33 -19.973 3.951 7.355 245 HB3 LYS 33 HB2 LYS 33 -18.212 3.839 7.374 246 HG2 LYS 33 HG3 LYS 33 -18.023 5.753 8.549 247 HG3 LYS 33 HG2 LYS 33 -19.092 6.609 7.437 248 HD2 LYS 33 HD3 LYS 33 -20.702 6.575 9.005 249 HD3 LYS 33 HD2 LYS 33 -20.717 4.812 8.916 250 HE2 LYS 33 HE3 LYS 33 -20.150 5.065 11.155 251 HE3 LYS 33 HE2 LYS 33 -18.521 5.127 10.450 252 HZ1 LYS 33 HZ1 LYS 33 -20.134 7.580 10.545 253 HZ2 LYS 33 HZ2 LYS 33 -18.444 7.401 10.566 254 HZ3 LYS 33 HZ3 LYS 33 -19.355 7.066 11.961 255 H GLU 34 H GLU 34 -17.029 4.727 4.098 256 HA GLU 34 HA GLU 34 -17.871 2.086 2.993 257 HB2 GLU 34 HB3 GLU 34 -17.460 4.062 1.508 258 HB3 GLU 34 HB2 GLU 34 -15.784 4.080 2.057 259 HG2 GLU 34 HG3 GLU 34 -15.312 2.594 0.433 260 HG3 GLU 34 HG2 GLU 34 -16.287 1.415 1.312 261 H ARG 35 H ARG 35 -16.493 0.302 3.122 262 HA ARG 35 HA ARG 35 -13.953 0.656 4.675 263 HB2 ARG 35 HB3 ARG 35 -16.092 -0.389 5.780 264 HB3 ARG 35 HB2 ARG 35 -15.694 -1.802 4.801 265 HG2 ARG 35 HG3 ARG 35 -13.322 -0.770 6.109 266 HG3 ARG 35 HG2 ARG 35 -14.583 -1.119 7.293 267 HD2 ARG 35 HD3 ARG 35 -14.263 -3.182 5.191 268 HD3 ARG 35 HD2 ARG 35 -12.893 -3.023 6.308 269 HE ARG 35 HE ARG 35 -15.054 -2.936 8.002 270 HH11 ARG 35 HH11 ARG 35 -14.087 -5.029 5.430 271 HH12 ARG 35 HH12 ARG 35 -14.837 -6.431 6.117 272 HH21 ARG 35 HH21 ARG 35 -16.026 -4.763 8.911 273 HH22 ARG 35 HH22 ARG 35 -15.931 -6.281 8.082 274 H LEU 36 H LEU 36 -12.319 0.190 3.258 275 HA LEU 36 HA LEU 36 -12.809 -1.808 1.099 276 HB2 LEU 36 HB3 LEU 36 -10.471 0.081 1.461 277 HB3 LEU 36 HB2 LEU 36 -11.038 -0.666 -0.034 278 HG LEU 36 HG LEU 36 -12.621 1.328 1.615 279 HD11 LEU 36 HD11 LEU 36 -12.215 2.589 -0.704 280 HD12 LEU 36 HD12 LEU 36 -10.755 1.598 -0.697 281 HD13 LEU 36 HD13 LEU 36 -11.070 2.716 0.631 282 HD21 LEU 36 HD21 LEU 36 -13.383 -0.565 -0.384 283 HD22 LEU 36 HD22 LEU 36 -13.493 1.044 -1.096 284 HD23 LEU 36 HD23 LEU 36 -14.385 0.671 0.379 285 H LYS 37 H LYS 37 -11.476 -3.631 0.896 286 HA LYS 37 HA LYS 37 -9.519 -4.100 3.121 287 HB2 LYS 37 HB3 LYS 37 -11.964 -5.474 2.306 288 HB3 LYS 37 HB2 LYS 37 -10.580 -6.568 2.362 289 HG2 LYS 37 HG3 LYS 37 -10.306 -4.993 4.655 290 HG3 LYS 37 HG2 LYS 37 -12.034 -5.330 4.561 291 HD2 LYS 37 HD3 LYS 37 -10.442 -7.687 3.925 292 HD3 LYS 37 HD2 LYS 37 -10.077 -7.064 5.535 293 HE2 LYS 37 HE3 LYS 37 -12.902 -6.925 5.235 294 HE3 LYS 37 HE2 LYS 37 -12.396 -8.540 4.698 295 HZ1 LYS 37 HZ1 LYS 37 -12.379 -8.893 6.932 296 HZ2 LYS 37 HZ2 LYS 37 -12.074 -7.265 7.311 297 HZ3 LYS 37 HZ3 LYS 37 -10.811 -8.266 6.775 298 H ALA 38 H ALA 38 -7.526 -4.693 2.388 299 HA ALA 38 HA ALA 38 -7.290 -5.713 -0.426 300 HB1 ALA 38 HB1 ALA 38 -6.129 -3.487 0.987 301 HB2 ALA 38 HB2 ALA 38 -5.910 -3.942 -0.703 302 HB3 ALA 38 HB3 ALA 38 -4.845 -4.609 0.535 303 H TYR 39 H TYR 39 -5.378 -7.220 -0.701 304 HA TYR 39 HA TYR 39 -4.235 -8.391 1.740 305 HB2 TYR 39 HB3 TYR 39 -5.279 -10.658 1.078 306 HB3 TYR 39 HB2 TYR 39 -6.335 -9.476 1.846 307 HD1 TYR 39 HD1 TYR 39 -8.211 -8.560 0.694 308 HD2 TYR 39 HD2 TYR 39 -5.298 -10.884 -1.441 309 HE1 TYR 39 HE1 TYR 39 -9.700 -8.604 -1.289 310 HE2 TYR 39 HE2 TYR 39 -6.786 -10.928 -3.426 311 HH TYR 39 HH TYR 39 -8.622 -9.694 -4.374 312 H GLY 40 H GLY 40 -2.371 -9.501 1.293 313 HA2 GLY 40 HA3 GLY 40 -1.522 -9.623 -1.554 314 HA3 GLY 40 HA2 GLY 40 -0.440 -9.702 -0.161 315 H GLU 41 H GLU 41 -3.109 -11.568 0.488 316 HA GLU 41 HA GLU 41 -1.616 -14.071 0.190 317 HB2 GLU 41 HB3 GLU 41 -4.487 -13.561 1.005 318 HB3 GLU 41 HB2 GLU 41 -3.502 -14.965 1.417 319 HG2 GLU 41 HG3 GLU 41 -2.054 -13.644 2.807 320 HG3 GLU 41 HG2 GLU 41 -2.776 -12.142 2.229 321 H LEU 42 H LEU 42 -2.987 -12.350 -2.126 322 HA LEU 42 HA LEU 42 -4.985 -13.318 -3.582 323 HB2 LEU 42 HB3 LEU 42 -2.431 -12.256 -4.126 324 HB3 LEU 42 HB2 LEU 42 -2.618 -13.624 -5.224 325 HG LEU 42 HG LEU 42 -4.794 -11.559 -4.868 326 HD11 LEU 42 HD11 LEU 42 -3.179 -10.140 -5.717 327 HD12 LEU 42 HD12 LEU 42 -3.751 -10.852 -7.225 328 HD13 LEU 42 HD13 LEU 42 -2.273 -11.451 -6.471 329 HD21 LEU 42 HD21 LEU 42 -4.150 -13.776 -6.802 330 HD22 LEU 42 HD22 LEU 42 -5.163 -12.425 -7.311 331 HD23 LEU 42 HD23 LEU 42 -5.665 -13.445 -5.962 332 H ILE 43 H ILE 43 -5.839 -15.295 -4.078 333 HA ILE 43 HA ILE 43 -3.984 -17.655 -4.197 334 HB ILE 43 HB ILE 43 -5.851 -18.918 -3.199 335 HG12 ILE 43 HG13 ILE 43 -7.508 -16.716 -2.380 336 HG13 ILE 43 HG12 ILE 43 -7.343 -16.684 -4.136 337 HG21 ILE 43 HG21 ILE 43 -4.176 -17.346 -1.866 338 HG22 ILE 43 HG22 ILE 43 -5.504 -18.156 -1.034 339 HG23 ILE 43 HG23 ILE 43 -5.657 -16.461 -1.496 340 HD11 ILE 43 HD11 ILE 43 -8.198 -18.887 -4.366 341 HD12 ILE 43 HD12 ILE 43 -9.251 -18.122 -3.176 342 HD13 ILE 43 HD13 ILE 43 -7.987 -19.234 -2.650 343 H THR 44 H THR 44 -5.714 -19.532 -5.137 344 HA THR 44 HA THR 44 -7.376 -18.686 -7.347 345 HB THR 44 HB THR 44 -4.995 -18.061 -8.014 346 HG1 THR 44 HG1 THR 44 -5.275 -18.992 -10.105 347 HG21 THR 44 HG21 THR 44 -4.282 -20.705 -8.904 348 HG22 THR 44 HG22 THR 44 -4.526 -20.713 -7.158 349 HG23 THR 44 HG23 THR 44 -3.365 -19.599 -7.880 350 H ASN 45 H ASN 45 -7.627 -20.581 -5.243 351 HA ASN 45 HA ASN 45 -7.860 -23.100 -6.832 352 HB2 ASN 45 HB3 ASN 45 -6.714 -22.862 -4.033 353 HB3 ASN 45 HB2 ASN 45 -6.819 -24.332 -5.001 354 HD21 ASN 45 HD21 ASN 45 -4.758 -21.746 -4.211 355 HD22 ASN 45 HD22 ASN 45 -3.654 -21.915 -5.489 356 H ASP 46 H ASP 46 -8.495 -24.311 -4.046 357 HA ASP 46 HA ASP 46 -11.307 -24.320 -4.186 358 HB2 ASP 46 HB3 ASP 46 -9.456 -24.681 -1.808 359 HB3 ASP 46 HB2 ASP 46 -11.112 -25.283 -1.914 360 H LYS 47 H LYS 47 -12.053 -23.732 -1.476 361 HA LYS 47 HA LYS 47 -13.201 -21.254 -1.512 362 HB2 LYS 47 HB3 LYS 47 -11.833 -22.686 0.785 363 HB3 LYS 47 HB2 LYS 47 -12.962 -21.348 0.999 364 HG2 LYS 47 HG3 LYS 47 -14.732 -22.710 0.717 365 HG3 LYS 47 HG2 LYS 47 -14.071 -23.337 -0.795 366 HD2 LYS 47 HD3 LYS 47 -13.703 -25.286 0.276 367 HD3 LYS 47 HD2 LYS 47 -12.462 -24.456 1.213 368 HE2 LYS 47 HE3 LYS 47 -14.135 -23.817 2.906 369 HE3 LYS 47 HE2 LYS 47 -15.405 -24.618 1.959 370 HZ1 LYS 47 HZ1 LYS 47 -12.945 -26.088 2.627 371 HZ2 LYS 47 HZ2 LYS 47 -14.504 -26.688 2.314 372 HZ3 LYS 47 HZ3 LYS 47 -14.161 -25.941 3.801 373 H TRP 48 H TRP 48 -12.614 -19.155 -0.597 374 HA TRP 48 HA TRP 48 -9.829 -18.386 -1.212 375 HB2 TRP 48 HB3 TRP 48 -10.785 -16.110 -0.903 376 HB3 TRP 48 HB2 TRP 48 -11.767 -17.078 -2.002 377 HD1 TRP 48 HD1 TRP 48 -14.181 -17.725 -1.261 378 HE1 TRP 48 HE1 TRP 48 -15.667 -17.048 0.733 379 HE3 TRP 48 HE3 TRP 48 -10.700 -15.442 1.700 380 HZ2 TRP 48 HZ2 TRP 48 -15.415 -15.714 3.251 381 HZ3 TRP 48 HZ3 TRP 48 -11.350 -14.478 3.887 382 HH2 TRP 48 HH2 TRP 48 -13.700 -14.610 4.666 383 H THR 49 H THR 49 -11.211 -19.733 1.426 384 HA THR 49 HA THR 49 -10.765 -18.189 3.690 385 HB THR 49 HB THR 49 -9.993 -20.513 4.627 386 HG1 THR 49 HG1 THR 49 -11.080 -21.515 2.277 387 HG21 THR 49 HG21 THR 49 -12.525 -21.199 3.559 388 HG22 THR 49 HG22 THR 49 -12.526 -19.448 3.771 389 HG23 THR 49 HG23 THR 49 -12.180 -20.501 5.142 390 H ARG 50 H ARG 50 -8.801 -18.571 5.262 391 HA ARG 50 HA ARG 50 -6.484 -17.311 4.291 392 HB2 ARG 50 HB3 ARG 50 -6.626 -19.408 6.480 393 HB3 ARG 50 HB2 ARG 50 -5.505 -18.050 6.382 394 HG2 ARG 50 HG3 ARG 50 -7.691 -16.599 6.328 395 HG3 ARG 50 HG2 ARG 50 -8.440 -18.036 7.027 396 HD2 ARG 50 HD3 ARG 50 -7.698 -16.621 8.864 397 HD3 ARG 50 HD2 ARG 50 -6.596 -18.011 8.787 398 HE ARG 50 HE ARG 50 -5.737 -15.778 7.113 399 HH11 ARG 50 HH11 ARG 50 -5.737 -17.198 10.264 400 HH12 ARG 50 HH12 ARG 50 -4.274 -16.414 10.756 401 HH21 ARG 50 HH21 ARG 50 -3.831 -14.752 7.748 402 HH22 ARG 50 HH22 ARG 50 -3.197 -15.031 9.335 403 H ASN 51 H ASN 51 -5.361 -18.101 2.509 404 HA ASN 51 HA ASN 51 -4.587 -21.000 2.580 405 HB2 ASN 51 HB3 ASN 51 -6.086 -19.487 0.696 406 HB3 ASN 51 HB2 ASN 51 -4.539 -19.870 -0.063 407 HD21 ASN 51 HD21 ASN 51 -3.919 -22.377 0.892 408 HD22 ASN 51 HD22 ASN 51 -5.135 -23.494 0.495 409 H ARG 52 H ARG 52 -3.604 -17.945 0.950 410 HA ARG 52 HA ARG 52 -0.768 -18.842 1.192 411 HB2 ARG 52 HB3 ARG 52 -2.396 -17.562 -0.778 412 HB3 ARG 52 HB2 ARG 52 -1.113 -16.441 -0.323 413 HG2 ARG 52 HG3 ARG 52 -0.639 -19.341 -1.066 414 HG3 ARG 52 HG2 ARG 52 -0.475 -17.996 -2.195 415 HD2 ARG 52 HD3 ARG 52 0.967 -17.597 0.351 416 HD3 ARG 52 HD2 ARG 52 1.581 -18.937 -0.639 417 HE ARG 52 HE ARG 52 1.805 -16.143 -1.315 418 HH11 ARG 52 HH11 ARG 52 1.141 -19.282 -2.598 419 HH12 ARG 52 HH12 ARG 52 1.702 -18.891 -4.189 420 HH21 ARG 52 HH21 ARG 52 2.535 -15.622 -3.385 421 HH22 ARG 52 HH22 ARG 52 2.492 -16.821 -4.635 422 HA PRO 53 HA PRO 53 -0.501 -15.816 4.487 423 HB2 PRO 53 HB3 PRO 53 2.117 -16.362 5.110 424 HB3 PRO 53 HB2 PRO 53 0.756 -17.348 5.678 425 HG2 PRO 53 HG3 PRO 53 2.664 -17.855 3.461 426 HG3 PRO 53 HG2 PRO 53 1.914 -18.992 4.591 427 HD2 PRO 53 HD3 PRO 53 1.097 -18.644 2.000 428 HD3 PRO 53 HD2 PRO 53 0.044 -19.231 3.305 429 H ILE 54 H ILE 54 0.791 -13.822 4.771 430 HA ILE 54 HA ILE 54 1.730 -12.754 2.185 431 HB ILE 54 HB ILE 54 1.390 -11.535 4.947 432 HG12 ILE 54 HG13 ILE 54 -0.696 -12.412 3.919 433 HG13 ILE 54 HG12 ILE 54 -0.704 -10.648 4.006 434 HG21 ILE 54 HG21 ILE 54 1.565 -9.395 3.843 435 HG22 ILE 54 HG22 ILE 54 1.609 -10.162 2.254 436 HG23 ILE 54 HG23 ILE 54 2.972 -10.344 3.361 437 HD11 ILE 54 HD11 ILE 54 -0.922 -10.520 1.777 438 HD12 ILE 54 HD12 ILE 54 -0.963 -12.280 1.685 439 HD13 ILE 54 HD13 ILE 54 0.575 -11.425 1.568 440 H VAL 55 H VAL 55 3.865 -12.484 1.674 441 HA VAL 55 HA VAL 55 5.872 -12.950 3.848 442 HB VAL 55 HB VAL 55 5.777 -13.674 0.914 443 HG11 VAL 55 HG11 VAL 55 8.108 -13.521 2.817 444 HG12 VAL 55 HG12 VAL 55 8.016 -12.985 1.139 445 HG13 VAL 55 HG13 VAL 55 8.096 -14.707 1.512 446 HG21 VAL 55 HG21 VAL 55 4.826 -15.047 3.003 447 HG22 VAL 55 HG22 VAL 55 6.514 -15.539 3.124 448 HG23 VAL 55 HG23 VAL 55 5.608 -15.856 1.645 449 H SER 56 H SER 56 7.766 -11.624 3.801 450 HA SER 56 HA SER 56 7.515 -9.188 2.079 451 HB2 SER 56 HB3 SER 56 8.906 -8.211 4.037 452 HB3 SER 56 HB2 SER 56 7.210 -8.571 4.348 453 HG SER 56 HG SER 56 9.240 -9.467 5.677 454 H THR 57 H THR 57 9.424 -8.434 1.062 455 HA THR 57 HA THR 57 11.589 -10.464 0.870 456 HB THR 57 HB THR 57 12.032 -8.464 -1.007 457 HG1 THR 57 HG1 THR 57 10.102 -7.453 -0.494 458 HG21 THR 57 HG21 THR 57 10.447 -11.032 -1.092 459 HG22 THR 57 HG22 THR 57 12.118 -10.771 -1.591 460 HG23 THR 57 HG23 THR 57 10.797 -10.091 -2.543 461 H LYS 58 H LYS 58 13.777 -9.891 1.259 462 HA LYS 58 HA LYS 58 14.272 -7.156 2.368 463 HB2 LYS 58 HB3 LYS 58 15.331 -8.131 4.290 464 HB3 LYS 58 HB2 LYS 58 13.792 -8.970 4.095 465 HG2 LYS 58 HG3 LYS 58 15.019 -10.748 2.790 466 HG3 LYS 58 HG2 LYS 58 16.528 -9.951 3.237 467 HD2 LYS 58 HD3 LYS 58 14.472 -11.100 5.145 468 HD3 LYS 58 HD2 LYS 58 16.070 -11.763 4.807 469 HE2 LYS 58 HE3 LYS 58 16.624 -9.124 5.497 470 HE3 LYS 58 HE2 LYS 58 15.322 -9.577 6.613 471 HZ1 LYS 58 HZ1 LYS 58 17.155 -11.724 6.258 472 HZ2 LYS 58 HZ2 LYS 58 16.673 -10.953 7.691 473 HZ3 LYS 58 HZ3 LYS 58 17.969 -10.335 6.786 474 H LYS 59 H LYS 59 16.080 -6.266 1.462 475 HA LYS 59 HA LYS 59 18.286 -8.052 0.540 476 HB2 LYS 59 HB3 LYS 59 16.591 -6.137 -1.052 477 HB3 LYS 59 HB2 LYS 59 18.255 -6.452 -1.544 478 HG2 LYS 59 HG3 LYS 59 17.836 -8.767 -1.872 479 HG3 LYS 59 HG2 LYS 59 16.313 -8.697 -0.985 480 HD2 LYS 59 HD3 LYS 59 16.491 -6.886 -3.318 481 HD3 LYS 59 HD2 LYS 59 16.482 -8.607 -3.704 482 HE2 LYS 59 HE3 LYS 59 14.509 -8.300 -1.717 483 HE3 LYS 59 HE2 LYS 59 14.272 -6.944 -2.837 484 HZ1 LYS 59 HZ1 LYS 59 14.871 -9.611 -3.913 485 HZ2 LYS 59 HZ2 LYS 59 14.006 -8.334 -4.625 486 HZ3 LYS 59 HZ3 LYS 59 13.288 -9.275 -3.405 487 H LEU 60 H LEU 60 20.277 -7.153 1.045 488 HA LEU 60 HA LEU 60 20.291 -4.270 1.876 489 HB2 LEU 60 HB3 LEU 60 21.860 -4.933 3.612 490 HB3 LEU 60 HB2 LEU 60 20.454 -5.994 3.693 491 HG LEU 60 HG LEU 60 22.675 -6.896 1.934 492 HD11 LEU 60 HD11 LEU 60 23.893 -6.023 3.901 493 HD12 LEU 60 HD12 LEU 60 23.956 -7.785 3.839 494 HD13 LEU 60 HD13 LEU 60 22.858 -6.980 4.959 495 HD21 LEU 60 HD21 LEU 60 21.655 -8.896 2.249 496 HD22 LEU 60 HD22 LEU 60 20.336 -7.965 2.958 497 HD23 LEU 60 HD23 LEU 60 21.575 -8.670 3.996 498 H ASP 61 H ASP 61 22.097 -3.032 1.261 499 HA ASP 61 HA ASP 61 23.695 -4.137 -0.989 500 HB2 ASP 61 HB3 ASP 61 22.358 -1.901 -0.879 501 HB3 ASP 61 HB2 ASP 61 23.710 -1.317 0.091 502 H LYS 62 H LYS 62 26.029 -2.719 -0.823 503 HA LYS 62 HA LYS 62 27.514 -4.098 1.244 504 HB2 LYS 62 HB3 LYS 62 28.464 -1.688 -0.308 505 HB3 LYS 62 HB2 LYS 62 29.387 -3.105 0.190 506 HG2 LYS 62 HG3 LYS 62 27.398 -2.847 -2.059 507 HG3 LYS 62 HG2 LYS 62 29.044 -3.472 -2.107 508 HD2 LYS 62 HD3 LYS 62 27.863 -5.173 -0.304 509 HD3 LYS 62 HD2 LYS 62 26.534 -4.854 -1.419 510 HE2 LYS 62 HE3 LYS 62 29.283 -5.559 -2.461 511 HE3 LYS 62 HE2 LYS 62 28.118 -6.821 -2.012 512 HZ1 LYS 62 HZ1 LYS 62 27.268 -4.543 -3.677 513 HZ2 LYS 62 HZ2 LYS 62 26.589 -6.096 -3.563 514 HZ3 LYS 62 HZ3 LYS 62 28.050 -5.863 -4.398 515 H GLU 63 H GLU 63 25.601 -1.314 1.315 516 HA GLU 63 HA GLU 63 27.191 0.160 3.312 517 HB2 GLU 63 HB3 GLU 63 24.363 0.543 2.279 518 HB3 GLU 63 HB2 GLU 63 25.339 1.743 3.123 519 HG2 GLU 63 HG3 GLU 63 26.998 1.684 1.290 520 HG3 GLU 63 HG2 GLU 63 26.005 0.500 0.438 521 H GLY 64 H GLY 64 24.882 -2.362 3.298 522 HA2 GLY 64 HA3 GLY 64 24.224 -3.606 5.239 523 HA3 GLY 64 HA2 GLY 64 24.701 -2.239 6.247 524 H ARG 65 H ARG 65 22.931 -1.076 3.657 525 HA ARG 65 HA ARG 65 20.613 -0.529 5.377 526 HB2 ARG 65 HB3 ARG 65 21.876 0.940 3.594 527 HB3 ARG 65 HB2 ARG 65 20.832 0.104 2.444 528 HG2 ARG 65 HG3 ARG 65 19.218 1.589 2.954 529 HG3 ARG 65 HG2 ARG 65 19.136 0.847 4.553 530 HD2 ARG 65 HD3 ARG 65 20.099 2.656 5.526 531 HD3 ARG 65 HD2 ARG 65 21.398 2.694 4.316 532 HE ARG 65 HE ARG 65 18.898 4.203 4.181 533 HH11 ARG 65 HH11 ARG 65 21.489 2.711 2.449 534 HH12 ARG 65 HH12 ARG 65 21.297 3.711 1.049 535 HH21 ARG 65 HH21 ARG 65 18.627 5.494 2.351 536 HH22 ARG 65 HH22 ARG 65 19.680 5.280 0.991 537 H THR 66 H THR 66 18.891 -1.915 5.476 538 HA THR 66 HA THR 66 18.562 -4.011 3.409 539 HB THR 66 HB THR 66 17.291 -3.398 6.091 540 HG1 THR 66 HG1 THR 66 18.394 -5.410 6.555 541 HG21 THR 66 HG21 THR 66 15.553 -4.483 4.927 542 HG22 THR 66 HG22 THR 66 16.380 -5.799 5.763 543 HG23 THR 66 HG23 THR 66 16.673 -5.523 4.046 544 H HIS 67 H HIS 67 16.895 -4.015 1.926 545 HA HIS 67 HA HIS 67 14.962 -1.723 2.031 546 HB2 HIS 67 HB3 HIS 67 15.988 -3.377 -0.301 547 HB3 HIS 67 HB2 HIS 67 14.937 -1.965 -0.423 548 HD1 HIS 67 HD1 HIS 67 18.136 -2.490 -1.298 549 HD2 HIS 67 HD2 HIS 67 16.582 0.053 1.617 550 HE1 HIS 67 HE1 HIS 67 19.885 -0.701 -0.901 551 H HIS 68 H HIS 68 12.737 -2.214 1.674 552 HA HIS 68 HA HIS 68 12.063 -5.141 1.682 553 HB2 HIS 68 HB3 HIS 68 11.676 -4.176 3.854 554 HB3 HIS 68 HB2 HIS 68 10.879 -2.768 3.149 555 HD1 HIS 68 HD1 HIS 68 8.456 -2.961 3.700 556 HD2 HIS 68 HD2 HIS 68 10.060 -6.632 2.544 557 HE1 HIS 68 HE1 HIS 68 6.527 -4.599 3.639 558 H TYR 69 H TYR 69 10.544 -5.785 0.196 559 HA TYR 69 HA TYR 69 9.098 -3.658 -1.355 560 HB2 TYR 69 HB3 TYR 69 10.277 -6.292 -2.309 561 HB3 TYR 69 HB2 TYR 69 9.456 -5.106 -3.324 562 HD1 TYR 69 HD1 TYR 69 10.552 -3.089 -4.036 563 HD2 TYR 69 HD2 TYR 69 12.461 -5.737 -1.246 564 HE1 TYR 69 HE1 TYR 69 12.686 -1.860 -4.330 565 HE2 TYR 69 HE2 TYR 69 14.596 -4.508 -1.539 566 HH TYR 69 HH TYR 69 15.125 -1.905 -2.325 567 H MET 70 H MET 70 6.907 -3.895 -1.079 568 HA MET 70 HA MET 70 5.797 -6.663 -0.862 569 HB2 MET 70 HB3 MET 70 6.241 -5.275 1.344 570 HB3 MET 70 HB2 MET 70 4.763 -4.435 0.868 571 HG2 MET 70 HG3 MET 70 3.573 -6.129 1.749 572 HG3 MET 70 HG2 MET 70 4.246 -7.191 0.512 573 HE1 MET 70 HE1 MET 70 3.631 -7.467 4.176 574 HE2 MET 70 HE2 MET 70 4.322 -9.065 3.910 575 HE3 MET 70 HE3 MET 70 3.239 -8.370 2.707 576 H ARG 71 H ARG 71 3.740 -6.874 -1.804 577 HA ARG 71 HA ARG 71 2.356 -4.421 -2.770 578 HB2 ARG 71 HB3 ARG 71 2.269 -5.471 -5.054 579 HB3 ARG 71 HB2 ARG 71 3.904 -5.055 -4.543 580 HG2 ARG 71 HG3 ARG 71 4.033 -7.473 -3.640 581 HG3 ARG 71 HG2 ARG 71 2.608 -7.778 -4.635 582 HD2 ARG 71 HD3 ARG 71 4.336 -8.305 -6.132 583 HD3 ARG 71 HD2 ARG 71 4.069 -6.592 -6.514 584 HE ARG 71 HE ARG 71 5.884 -6.656 -4.358 585 HH11 ARG 71 HH11 ARG 71 5.667 -7.729 -7.632 586 HH12 ARG 71 HH12 ARG 71 7.369 -7.600 -7.922 587 HH21 ARG 71 HH21 ARG 71 8.107 -6.487 -4.725 588 HH22 ARG 71 HH22 ARG 71 8.748 -6.900 -6.280 589 H PHE 72 H PHE 72 0.105 -4.774 -3.115 590 HA PHE 72 HA PHE 72 -1.016 -7.489 -2.915 591 HB2 PHE 72 HB3 PHE 72 -2.353 -6.696 -0.844 592 HB3 PHE 72 HB2 PHE 72 -0.661 -7.127 -0.597 593 HD1 PHE 72 HD1 PHE 72 -3.089 -4.367 -0.768 594 HD2 PHE 72 HD2 PHE 72 1.043 -5.406 -0.223 595 HE1 PHE 72 HE1 PHE 72 -2.628 -2.086 0.092 596 HE2 PHE 72 HE2 PHE 72 1.503 -3.127 0.637 597 HZ PHE 72 HZ PHE 72 -0.332 -1.466 0.795 598 H HIS 73 H HIS 73 -3.269 -7.510 -3.489 599 HA HIS 73 HA HIS 73 -4.134 -5.138 -5.021 600 HB2 HIS 73 HB3 HIS 73 -4.632 -8.029 -4.894 601 HB3 HIS 73 HB2 HIS 73 -6.096 -7.087 -5.177 602 HD1 HIS 73 HD1 HIS 73 -6.147 -5.571 -7.326 603 HD2 HIS 73 HD2 HIS 73 -2.799 -8.039 -7.041 604 HE1 HIS 73 HE1 HIS 73 -5.055 -5.562 -9.610 605 H VAL 74 H VAL 74 -6.240 -4.154 -4.674 606 HA VAL 74 HA VAL 74 -7.346 -4.562 -1.914 607 HB VAL 74 HB VAL 74 -7.310 -1.938 -3.412 608 HG11 VAL 74 HG11 VAL 74 -8.681 -1.760 -1.525 609 HG12 VAL 74 HG12 VAL 74 -7.124 -1.221 -0.896 610 HG13 VAL 74 HG13 VAL 74 -7.682 -2.861 -0.575 611 HG21 VAL 74 HG21 VAL 74 -5.046 -1.959 -3.300 612 HG22 VAL 74 HG22 VAL 74 -5.035 -3.400 -2.282 613 HG23 VAL 74 HG23 VAL 74 -5.246 -1.808 -1.554 614 H GLU 75 H GLU 75 -9.537 -4.968 -1.902 615 HA GLU 75 HA GLU 75 -11.034 -4.561 -4.464 616 HB2 GLU 75 HB3 GLU 75 -10.624 -6.786 -2.885 617 HB3 GLU 75 HB2 GLU 75 -12.206 -6.227 -2.339 618 HG2 GLU 75 HG3 GLU 75 -12.872 -6.081 -4.788 619 HG3 GLU 75 HG2 GLU 75 -11.373 -6.931 -5.163 620 H SER 76 H SER 76 -12.362 -2.794 -4.407 621 HA SER 76 HA SER 76 -13.487 -1.934 -1.767 622 HB2 SER 76 HB3 SER 76 -13.571 0.267 -2.782 623 HB3 SER 76 HB2 SER 76 -11.978 -0.411 -3.101 624 HG SER 76 HG SER 76 -13.900 0.346 -4.830 625 H LYS 77 H LYS 77 -15.718 -0.856 -2.035 626 HA LYS 77 HA LYS 77 -17.577 -2.729 -3.223 627 HB2 LYS 77 HB3 LYS 77 -17.535 -0.380 -1.509 628 HB3 LYS 77 HB2 LYS 77 -18.877 -0.299 -2.651 629 HG2 LYS 77 HG3 LYS 77 -19.212 -2.827 -1.953 630 HG3 LYS 77 HG2 LYS 77 -18.333 -2.323 -0.509 631 HD2 LYS 77 HD3 LYS 77 -19.958 -0.474 -0.185 632 HD3 LYS 77 HD2 LYS 77 -20.859 -1.038 -1.594 633 HE2 LYS 77 HE3 LYS 77 -21.994 -2.037 0.241 634 HE3 LYS 77 HE2 LYS 77 -20.926 -3.333 -0.336 635 HZ1 LYS 77 HZ1 LYS 77 -19.229 -2.151 1.230 636 HZ2 LYS 77 HZ2 LYS 77 -20.348 -3.260 1.867 637 HZ3 LYS 77 HZ3 LYS 77 -20.627 -1.590 2.010 638 H LYS 78 H LYS 78 -15.819 -0.068 -4.479 639 HA LYS 78 HA LYS 78 -17.789 0.384 -6.676 640 HB2 LYS 78 HB3 LYS 78 -15.243 1.858 -5.931 641 HB3 LYS 78 HB2 LYS 78 -16.498 2.421 -7.036 642 HG2 LYS 78 HG3 LYS 78 -17.699 1.698 -4.520 643 HG3 LYS 78 HG2 LYS 78 -16.367 2.818 -4.232 644 HD2 LYS 78 HD3 LYS 78 -17.762 4.480 -4.844 645 HD3 LYS 78 HD2 LYS 78 -17.666 3.846 -6.487 646 HE2 LYS 78 HE3 LYS 78 -19.545 2.393 -4.716 647 HE3 LYS 78 HE2 LYS 78 -20.011 4.060 -5.106 648 HZ1 LYS 78 HZ1 LYS 78 -20.782 2.668 -6.865 649 HZ2 LYS 78 HZ2 LYS 78 -19.267 1.913 -7.018 650 HZ3 LYS 78 HZ3 LYS 78 -19.456 3.544 -7.458 651 H LYS 79 H LYS 79 -14.635 -0.987 -6.004 652 HA LYS 79 HA LYS 79 -14.461 -2.394 -8.480 653 HB2 LYS 79 HB3 LYS 79 -13.965 0.398 -8.627 654 HB3 LYS 79 HB2 LYS 79 -12.402 -0.401 -8.811 655 HG2 LYS 79 HG3 LYS 79 -13.455 -1.897 -10.542 656 HG3 LYS 79 HG2 LYS 79 -14.906 -0.899 -10.443 657 HD2 LYS 79 HD3 LYS 79 -12.135 0.093 -11.178 658 HD3 LYS 79 HD2 LYS 79 -13.464 -0.167 -12.308 659 HE2 LYS 79 HE3 LYS 79 -14.828 1.501 -11.022 660 HE3 LYS 79 HE2 LYS 79 -13.401 1.833 -10.020 661 HZ1 LYS 79 HZ1 LYS 79 -13.918 2.545 -12.780 662 HZ2 LYS 79 HZ2 LYS 79 -12.367 1.912 -12.493 663 HZ3 LYS 79 HZ3 LYS 79 -12.899 3.285 -11.645 664 H ILE 80 H ILE 80 -11.801 -2.639 -8.925 665 HA ILE 80 HA ILE 80 -10.639 -3.303 -6.235 666 HB ILE 80 HB ILE 80 -10.221 -4.692 -8.901 667 HG12 ILE 80 HG13 ILE 80 -11.669 -6.347 -7.138 668 HG13 ILE 80 HG12 ILE 80 -12.459 -4.771 -7.057 669 HG21 ILE 80 HG21 ILE 80 -8.407 -5.128 -7.387 670 HG22 ILE 80 HG22 ILE 80 -9.454 -6.545 -7.342 671 HG23 ILE 80 HG23 ILE 80 -9.512 -5.363 -6.035 672 HD11 ILE 80 HD11 ILE 80 -12.029 -6.538 -9.460 673 HD12 ILE 80 HD12 ILE 80 -12.297 -4.805 -9.653 674 HD13 ILE 80 HD13 ILE 80 -13.527 -5.808 -8.882 675 H ALA 81 H ALA 81 -8.484 -2.665 -5.907 676 HA ALA 81 HA ALA 81 -7.091 -1.358 -8.220 677 HB1 ALA 81 HB1 ALA 81 -6.403 0.398 -6.610 678 HB2 ALA 81 HB2 ALA 81 -7.322 -0.415 -5.345 679 HB3 ALA 81 HB3 ALA 81 -8.159 0.292 -6.727 680 H LEU 82 H LEU 82 -4.739 -1.333 -8.002 681 HA LEU 82 HA LEU 82 -3.717 -3.493 -6.190 682 HB2 LEU 82 HB3 LEU 82 -3.469 -4.125 -8.474 683 HB3 LEU 82 HB2 LEU 82 -2.972 -2.501 -8.947 684 HG LEU 82 HG LEU 82 -0.908 -2.774 -7.567 685 HD11 LEU 82 HD11 LEU 82 -0.757 -5.569 -7.343 686 HD12 LEU 82 HD12 LEU 82 -2.358 -5.147 -6.734 687 HD13 LEU 82 HD13 LEU 82 -0.923 -4.414 -6.020 688 HD21 LEU 82 HD21 LEU 82 -0.078 -3.361 -9.581 689 HD22 LEU 82 HD22 LEU 82 -1.600 -4.132 -10.029 690 HD23 LEU 82 HD23 LEU 82 -0.373 -5.046 -9.151 691 H VAL 83 H VAL 83 -2.245 -2.828 -4.652 692 HA VAL 83 HA VAL 83 -1.159 -0.049 -4.900 693 HB VAL 83 HB VAL 83 -1.613 -1.861 -2.509 694 HG11 VAL 83 HG11 VAL 83 -1.090 0.094 -1.163 695 HG12 VAL 83 HG12 VAL 83 -0.892 1.083 -2.610 696 HG13 VAL 83 HG13 VAL 83 0.257 -0.210 -2.261 697 HG21 VAL 83 HG21 VAL 83 -3.511 -0.576 -3.999 698 HG22 VAL 83 HG22 VAL 83 -3.104 0.676 -2.824 699 HG23 VAL 83 HG23 VAL 83 -3.671 -0.900 -2.273 700 H HIS 84 H HIS 84 1.028 0.221 -5.012 701 HA HIS 84 HA HIS 84 2.803 -2.100 -4.331 702 HB2 HIS 84 HB3 HIS 84 2.490 -0.440 -6.787 703 HB3 HIS 84 HB2 HIS 84 4.139 -0.861 -6.327 704 HD1 HIS 84 HD1 HIS 84 0.792 -2.676 -6.687 705 HD2 HIS 84 HD2 HIS 84 4.865 -3.344 -7.274 706 HE1 HIS 84 HE1 HIS 84 1.002 -5.007 -7.652 707 H LEU 85 H LEU 85 4.147 -1.455 -2.678 708 HA LEU 85 HA LEU 85 5.044 1.408 -2.649 709 HB2 LEU 85 HB3 LEU 85 4.649 1.443 -0.278 710 HB3 LEU 85 HB2 LEU 85 3.207 0.742 -1.014 711 HG LEU 85 HG LEU 85 4.730 -1.493 -0.638 712 HD11 LEU 85 HD11 LEU 85 5.407 0.510 1.521 713 HD12 LEU 85 HD12 LEU 85 6.514 -0.473 0.563 714 HD13 LEU 85 HD13 LEU 85 5.505 -1.228 1.796 715 HD21 LEU 85 HD21 LEU 85 2.359 -1.168 -0.003 716 HD22 LEU 85 HD22 LEU 85 2.867 -0.204 1.383 717 HD23 LEU 85 HD23 LEU 85 3.272 -1.918 1.306 718 H GLU 86 H GLU 86 7.156 1.756 -1.796 719 HA GLU 86 HA GLU 86 8.819 -0.709 -1.388 720 HB2 GLU 86 HB3 GLU 86 8.849 1.038 -3.545 721 HB3 GLU 86 HB2 GLU 86 10.159 1.644 -2.530 722 HG2 GLU 86 HG3 GLU 86 11.217 -0.534 -2.489 723 HG3 GLU 86 HG2 GLU 86 9.847 -1.263 -3.329 724 H ALA 87 H ALA 87 9.747 -0.645 0.638 725 HA ALA 87 HA ALA 87 10.220 2.058 1.856 726 HB1 ALA 87 HB1 ALA 87 9.320 1.251 3.841 727 HB2 ALA 87 HB2 ALA 87 9.752 -0.419 3.476 728 HB3 ALA 87 HB3 ALA 87 8.375 0.332 2.670 729 H LYS 88 H LYS 88 12.104 2.294 3.117 730 HA LYS 88 HA LYS 88 14.102 0.066 3.033 731 HB2 LYS 88 HB3 LYS 88 15.758 1.972 2.534 732 HB3 LYS 88 HB2 LYS 88 14.670 1.522 1.219 733 HG2 LYS 88 HG3 LYS 88 13.371 3.435 1.453 734 HG3 LYS 88 HG2 LYS 88 13.809 3.648 3.149 735 HD2 LYS 88 HD3 LYS 88 15.723 4.026 0.829 736 HD3 LYS 88 HD2 LYS 88 14.880 5.339 1.651 737 HE2 LYS 88 HE3 LYS 88 16.110 3.683 3.647 738 HE3 LYS 88 HE2 LYS 88 17.329 4.111 2.429 739 HZ1 LYS 88 HZ1 LYS 88 17.339 6.003 3.695 740 HZ2 LYS 88 HZ2 LYS 88 15.701 5.870 4.124 741 HZ3 LYS 88 HZ3 LYS 88 16.134 6.416 2.575 742 H GLU 89 H GLU 89 15.439 0.005 4.914 743 HA GLU 89 HA GLU 89 14.422 1.522 7.220 744 HB2 GLU 89 HB3 GLU 89 15.912 0.022 8.456 745 HB3 GLU 89 HB2 GLU 89 15.017 -0.905 7.252 746 HG2 GLU 89 HG3 GLU 89 16.898 -1.007 5.787 747 HG3 GLU 89 HG2 GLU 89 17.771 0.219 6.707 748 H SER 90 H SER 90 15.499 3.200 8.245 749 HA SER 90 HA SER 90 17.956 4.233 6.890 750 HB2 SER 90 HB3 SER 90 15.533 5.390 7.455 751 HB3 SER 90 HB2 SER 90 16.490 5.896 8.845 752 HG SER 90 HG SER 90 16.500 7.048 6.578 753 H LYS 91 H LYS 91 19.769 4.819 8.168 754 HA LYS 91 HA LYS 91 21.298 4.455 9.943 755 HB2 LYS 91 HB3 LYS 91 18.960 5.912 10.718 756 HB3 LYS 91 HB2 LYS 91 19.457 4.914 12.085 757 HG2 LYS 91 HG3 LYS 91 21.150 6.916 10.570 758 HG3 LYS 91 HG2 LYS 91 20.642 7.008 12.255 759 HD2 LYS 91 HD3 LYS 91 22.004 4.499 11.724 760 HD3 LYS 91 HD2 LYS 91 23.019 5.873 11.287 761 HE2 LYS 91 HE3 LYS 91 21.542 5.897 13.913 762 HE3 LYS 91 HE2 LYS 91 23.080 5.022 13.764 763 HZ1 LYS 91 HZ1 LYS 91 23.896 7.121 12.600 764 HZ2 LYS 91 HZ2 LYS 91 23.716 7.193 14.287 765 HZ3 LYS 91 HZ3 LYS 91 22.544 7.890 13.275 766 H GLN 92 H GLN 92 20.657 3.554 12.605 767 HA GLN 92 HA GLN 92 19.947 0.693 12.044 768 HB2 GLN 92 HB3 GLN 92 22.313 1.173 12.629 769 HB3 GLN 92 HB2 GLN 92 21.776 1.924 14.132 770 HG2 GLN 92 HG3 GLN 92 21.284 -0.082 15.121 771 HG3 GLN 92 HG2 GLN 92 20.761 -0.817 13.604 772 HE21 GLN 92 HE21 GLN 92 22.337 -2.515 14.914 773 HE22 GLN 92 HE22 GLN 92 23.938 -2.507 14.350 774 H ASN 93 H ASN 93 18.935 -0.427 13.954 775 HA ASN 93 HA ASN 93 17.114 -0.511 15.472 776 HB2 ASN 93 HB3 ASN 93 19.146 1.464 16.366 777 HB3 ASN 93 HB2 ASN 93 17.595 1.527 17.204 778 HD21 ASN 93 HD21 ASN 93 16.783 -0.697 18.024 779 HD22 ASN 93 HD22 ASN 93 17.953 -1.785 18.596 780 H TYR 94 H TYR 94 16.533 0.909 13.046 781 HA TYR 94 HA TYR 94 14.629 2.981 14.077 782 HB2 TYR 94 HB3 TYR 94 16.884 3.299 12.423 783 HB3 TYR 94 HB2 TYR 94 15.506 3.367 11.328 784 HD1 TYR 94 HD1 TYR 94 17.393 5.676 12.034 785 HD2 TYR 94 HD2 TYR 94 13.613 4.439 13.667 786 HE1 TYR 94 HE1 TYR 94 16.939 8.004 12.755 787 HE2 TYR 94 HE2 TYR 94 13.167 6.766 14.391 788 HH TYR 94 HH TYR 94 14.207 9.239 13.361 789 H GLN 95 H GLN 95 12.612 3.075 12.882 790 HA GLN 95 HA GLN 95 11.714 0.524 11.823 791 HB2 GLN 95 HB3 GLN 95 10.527 3.314 11.945 792 HB3 GLN 95 HB2 GLN 95 9.623 1.888 11.437 793 HG2 GLN 95 HG3 GLN 95 11.072 2.003 14.086 794 HG3 GLN 95 HG2 GLN 95 9.408 2.559 13.904 795 HE21 GLN 95 HE21 GLN 95 10.943 -0.041 15.050 796 HE22 GLN 95 HE22 GLN 95 9.905 -1.286 14.544 797 HA PRO 96 HA PRO 96 12.589 1.039 7.557 798 HB2 PRO 96 HB3 PRO 96 10.234 0.081 6.440 799 HB3 PRO 96 HB2 PRO 96 11.556 -0.942 7.031 800 HG2 PRO 96 HG3 PRO 96 8.971 -0.264 8.310 801 HG3 PRO 96 HG2 PRO 96 9.927 -1.750 8.404 802 HD2 PRO 96 HD3 PRO 96 9.813 0.099 10.403 803 HD3 PRO 96 HD2 PRO 96 11.204 -0.975 10.134 804 H ASP 97 H ASP 97 12.238 2.606 5.927 805 HA ASP 97 HA ASP 97 9.995 4.528 6.452 806 HB2 ASP 97 HB3 ASP 97 12.781 4.835 6.351 807 HB3 ASP 97 HB2 ASP 97 12.205 5.490 4.818 808 H PHE 98 H PHE 98 8.621 4.993 4.749 809 HA PHE 98 HA PHE 98 8.811 3.353 2.318 810 HB2 PHE 98 HB3 PHE 98 6.877 5.459 3.335 811 HB3 PHE 98 HB2 PHE 98 6.618 4.512 1.870 812 HD1 PHE 98 HD1 PHE 98 5.830 2.266 1.970 813 HD2 PHE 98 HD2 PHE 98 7.088 4.269 5.555 814 HE1 PHE 98 HE1 PHE 98 4.906 0.410 3.333 815 HE2 PHE 98 HE2 PHE 98 6.165 2.414 6.917 816 HZ PHE 98 HZ PHE 98 5.073 0.484 5.805 817 H ILE 99 H ILE 99 9.418 4.122 0.286 818 HA ILE 99 HA ILE 99 10.150 7.028 0.114 819 HB ILE 99 HB ILE 99 11.896 6.049 -1.551 820 HG12 ILE 99 HG13 ILE 99 11.191 3.571 0.057 821 HG13 ILE 99 HG12 ILE 99 10.862 3.794 -1.662 822 HG21 ILE 99 HG21 ILE 99 12.489 7.000 0.626 823 HG22 ILE 99 HG22 ILE 99 13.438 5.544 0.330 824 HG23 ILE 99 HG23 ILE 99 12.056 5.488 1.424 825 HD11 ILE 99 HD11 ILE 99 13.655 4.106 -0.570 826 HD12 ILE 99 HD12 ILE 99 13.152 3.773 -2.227 827 HD13 ILE 99 HD13 ILE 99 13.021 2.517 -0.997 828 H ASN 100 H ASN 100 8.415 4.390 -1.287 829 HA ASN 100 HA ASN 100 7.391 6.182 -3.410 830 HB2 ASN 100 HB3 ASN 100 9.123 3.761 -3.793 831 HB3 ASN 100 HB2 ASN 100 7.899 4.135 -5.006 832 HD21 ASN 100 HD21 ASN 100 11.053 4.466 -4.792 833 HD22 ASN 100 HD22 ASN 100 11.290 6.032 -5.401 834 H MET 101 H MET 101 5.222 5.812 -3.580 835 HA MET 101 HA MET 101 4.143 3.078 -3.147 836 HB2 MET 101 HB3 MET 101 4.258 4.211 -0.939 837 HB3 MET 101 HB2 MET 101 3.292 5.539 -1.585 838 HG2 MET 101 HG3 MET 101 1.384 4.391 -1.252 839 HG3 MET 101 HG2 MET 101 2.011 3.005 -2.143 840 HE1 MET 101 HE1 MET 101 1.446 0.609 0.342 841 HE2 MET 101 HE2 MET 101 0.971 1.439 -1.138 842 HE3 MET 101 HE3 MET 101 0.211 1.876 0.391 843 H TYR 102 H TYR 102 2.693 2.745 -4.790 844 HA TYR 102 HA TYR 102 0.908 4.974 -5.616 845 HB2 TYR 102 HB3 TYR 102 1.563 4.662 -7.965 846 HB3 TYR 102 HB2 TYR 102 2.982 5.054 -6.992 847 HD1 TYR 102 HD1 TYR 102 1.101 2.252 -8.564 848 HD2 TYR 102 HD2 TYR 102 4.787 3.515 -6.756 849 HE1 TYR 102 HE1 TYR 102 2.174 0.130 -9.268 850 HE2 TYR 102 HE2 TYR 102 5.861 1.393 -7.461 851 HH TYR 102 HH TYR 102 4.167 -0.925 -9.522 852 H VAL 103 H VAL 103 -0.991 4.211 -6.745 853 HA VAL 103 HA VAL 103 -1.414 1.248 -6.558 854 HB VAL 103 HB VAL 103 -3.275 3.577 -5.997 855 HG11 VAL 103 HG11 VAL 103 -5.044 2.158 -6.029 856 HG12 VAL 103 HG12 VAL 103 -4.126 0.859 -5.264 857 HG13 VAL 103 HG13 VAL 103 -4.005 1.119 -7.004 858 HG21 VAL 103 HG21 VAL 103 -2.098 1.419 -4.216 859 HG22 VAL 103 HG22 VAL 103 -3.250 2.650 -3.697 860 HG23 VAL 103 HG23 VAL 103 -1.631 3.119 -4.218 861 H ASP 104 H ASP 104 -2.610 0.311 -8.287 862 HA ASP 104 HA ASP 104 -2.904 2.065 -10.694 863 HB2 ASP 104 HB3 ASP 104 -1.662 -0.406 -10.189 864 HB3 ASP 104 HB2 ASP 104 -3.113 -0.807 -11.110 865 H VAL 105 H VAL 105 -5.007 2.703 -10.994 866 HA VAL 105 HA VAL 105 -7.216 0.923 -10.069 867 HB VAL 105 HB VAL 105 -7.242 3.794 -11.054 868 HG11 VAL 105 HG11 VAL 105 -9.342 3.746 -9.528 869 HG12 VAL 105 HG12 VAL 105 -9.227 1.992 -9.672 870 HG13 VAL 105 HG13 VAL 105 -9.455 2.981 -11.114 871 HG21 VAL 105 HG21 VAL 105 -6.395 2.585 -8.504 872 HG22 VAL 105 HG22 VAL 105 -7.598 3.862 -8.324 873 HG23 VAL 105 HG23 VAL 105 -6.074 4.196 -9.147 874 HA PRO 106 HA PRO 106 -7.770 -0.284 -14.308 875 HB2 PRO 106 HB3 PRO 106 -10.312 -1.351 -13.939 876 HB3 PRO 106 HB2 PRO 106 -8.798 -2.224 -13.639 877 HG2 PRO 106 HG3 PRO 106 -10.639 -0.915 -11.721 878 HG3 PRO 106 HG2 PRO 106 -9.648 -2.367 -11.527 879 HD2 PRO 106 HD3 PRO 106 -9.006 0.036 -10.429 880 HD3 PRO 106 HD2 PRO 106 -7.797 -1.179 -10.894 881 H GLY 107 H GLY 107 -8.430 1.101 -15.903 882 HA2 GLY 107 HA3 GLY 107 -9.940 2.462 -17.130 883 HA3 GLY 107 HA2 GLY 107 -11.089 2.340 -15.799 884 H GLU 108 H GLU 108 -8.675 3.142 -13.987 885 HA GLU 108 HA GLU 108 -8.897 6.083 -14.534 886 HB2 GLU 108 HB3 GLU 108 -9.625 4.451 -12.319 887 HB3 GLU 108 HB2 GLU 108 -8.258 5.442 -11.806 888 HG2 GLU 108 HG3 GLU 108 -10.439 6.770 -13.359 889 HG3 GLU 108 HG2 GLU 108 -10.757 6.363 -11.672 890 H LYS 109 H LYS 109 -7.013 7.320 -13.491 891 HA LYS 109 HA LYS 109 -4.483 6.103 -14.361 892 HB2 LYS 109 HB3 LYS 109 -5.638 8.721 -13.824 893 HB3 LYS 109 HB2 LYS 109 -4.029 8.578 -13.113 894 HG2 LYS 109 HG3 LYS 109 -3.440 7.501 -15.459 895 HG3 LYS 109 HG2 LYS 109 -4.851 8.416 -15.990 896 HD2 LYS 109 HD3 LYS 109 -3.865 10.470 -15.528 897 HD3 LYS 109 HD2 LYS 109 -2.784 9.792 -14.310 898 HE2 LYS 109 HE3 LYS 109 -1.342 8.846 -15.966 899 HE3 LYS 109 HE2 LYS 109 -2.535 9.106 -17.254 900 HZ1 LYS 109 HZ1 LYS 109 -2.416 11.539 -16.556 901 HZ2 LYS 109 HZ2 LYS 109 -1.103 10.923 -17.440 902 HZ3 LYS 109 HZ3 LYS 109 -0.978 11.127 -15.758 903 H ARG 110 H ARG 110 -2.788 5.494 -12.986 904 HA ARG 110 HA ARG 110 -3.415 4.647 -10.312 905 HB2 ARG 110 HB3 ARG 110 -1.027 4.063 -10.286 906 HB3 ARG 110 HB2 ARG 110 -1.730 3.648 -11.851 907 HG2 ARG 110 HG3 ARG 110 -0.908 5.821 -12.756 908 HG3 ARG 110 HG2 ARG 110 -0.124 6.139 -11.208 909 HD2 ARG 110 HD3 ARG 110 1.620 4.776 -11.714 910 HD3 ARG 110 HD2 ARG 110 0.535 3.486 -12.274 911 HE ARG 110 HE ARG 110 0.493 5.669 -14.143 912 HH11 ARG 110 HH11 ARG 110 2.440 3.065 -12.978 913 HH12 ARG 110 HH12 ARG 110 3.290 2.861 -14.473 914 HH21 ARG 110 HH21 ARG 110 1.599 5.410 -16.098 915 HH22 ARG 110 HH22 ARG 110 2.815 4.185 -16.235 916 H TYR 111 H TYR 111 -3.147 5.716 -8.368 917 HA TYR 111 HA TYR 111 -2.076 8.509 -8.480 918 HB2 TYR 111 HB3 TYR 111 -4.480 7.631 -7.668 919 HB3 TYR 111 HB2 TYR 111 -3.599 7.414 -6.154 920 HD1 TYR 111 HD1 TYR 111 -2.895 9.285 -4.837 921 HD2 TYR 111 HD2 TYR 111 -4.555 9.890 -8.753 922 HE1 TYR 111 HE1 TYR 111 -3.046 11.721 -4.398 923 HE2 TYR 111 HE2 TYR 111 -4.706 12.326 -8.313 924 HH TYR 111 HH TYR 111 -3.484 13.995 -6.769 925 H TYR 112 H TYR 112 -0.209 8.955 -7.351 926 HA TYR 112 HA TYR 112 1.128 6.762 -5.909 927 HB2 TYR 112 HB3 TYR 112 3.048 8.150 -6.120 928 HB3 TYR 112 HB2 TYR 112 2.127 8.437 -7.597 929 HD1 TYR 112 HD1 TYR 112 0.981 10.545 -7.984 930 HD2 TYR 112 HD2 TYR 112 3.107 9.822 -4.324 931 HE1 TYR 112 HE1 TYR 112 0.853 12.961 -7.434 932 HE2 TYR 112 HE2 TYR 112 2.981 12.236 -3.772 933 HH TYR 112 HH TYR 112 1.352 14.190 -4.440 934 H LEU 113 H LEU 113 1.166 6.585 -3.695 935 HA LEU 113 HA LEU 113 -0.316 8.530 -2.065 936 HB2 LEU 113 HB3 LEU 113 0.273 5.798 -2.023 937 HB3 LEU 113 HB2 LEU 113 1.211 6.455 -0.680 938 HG LEU 113 HG LEU 113 -1.017 5.841 0.112 939 HD11 LEU 113 HD11 LEU 113 -0.595 8.830 -0.175 940 HD12 LEU 113 HD12 LEU 113 -0.036 7.807 1.148 941 HD13 LEU 113 HD13 LEU 113 -1.761 8.097 0.926 942 HD21 LEU 113 HD21 LEU 113 -2.304 7.918 -1.611 943 HD22 LEU 113 HD22 LEU 113 -2.984 6.431 -0.951 944 HD23 LEU 113 HD23 LEU 113 -1.916 6.366 -2.353 945 H ILE 114 H ILE 114 3.053 7.415 -2.411 946 HA ILE 114 HA ILE 114 3.922 9.685 -0.659 947 HB ILE 114 HB ILE 114 5.209 7.042 -1.421 948 HG12 ILE 114 HG13 ILE 114 4.131 8.102 1.213 949 HG13 ILE 114 HG12 ILE 114 3.349 6.885 0.203 950 HG21 ILE 114 HG21 ILE 114 6.279 8.850 0.713 951 HG22 ILE 114 HG22 ILE 114 6.662 9.222 -0.967 952 HG23 ILE 114 HG23 ILE 114 7.128 7.666 -0.279 953 HD11 ILE 114 HD11 ILE 114 6.076 6.106 0.637 954 HD12 ILE 114 HD12 ILE 114 4.605 5.271 1.135 955 HD13 ILE 114 HD13 ILE 114 5.336 6.475 2.195 956 H LYS 115 H LYS 115 5.838 7.834 -2.992 957 HA LYS 115 HA LYS 115 7.284 8.647 -4.692 958 HB2 LYS 115 HB3 LYS 115 4.689 8.677 -5.381 959 HB3 LYS 115 HB2 LYS 115 5.019 10.402 -5.536 960 HG2 LYS 115 HG3 LYS 115 7.090 9.694 -6.905 961 HG3 LYS 115 HG2 LYS 115 6.319 8.110 -7.007 962 HD2 LYS 115 HD3 LYS 115 5.093 8.883 -8.729 963 HD3 LYS 115 HD2 LYS 115 4.298 9.985 -7.604 964 HE2 LYS 115 HE3 LYS 115 5.723 11.776 -8.148 965 HE3 LYS 115 HE2 LYS 115 6.979 10.701 -8.793 966 HZ1 LYS 115 HZ1 LYS 115 5.297 11.915 -10.388 967 HZ2 LYS 115 HZ2 LYS 115 4.310 10.590 -9.993 968 HZ3 LYS 115 HZ3 LYS 115 5.828 10.338 -10.712 Start of MODEL 17 1 H1 GLY 1 H GLY 1 5.702 -14.336 12.125 2 HA2 GLY 1 HA3 GLY 1 6.758 -12.093 12.401 3 HA3 GLY 1 HA2 GLY 1 6.425 -12.350 10.688 4 H SER 2 H SER 2 6.528 -9.758 11.770 5 HA SER 2 HA SER 2 3.703 -8.901 12.123 6 HB2 SER 2 HB3 SER 2 4.676 -6.902 12.966 7 HB3 SER 2 HB2 SER 2 5.759 -8.177 13.519 8 HG SER 2 HG SER 2 6.801 -7.679 11.325 9 H ASP 3 H ASP 3 5.139 -9.806 9.498 10 HA ASP 3 HA ASP 3 5.395 -7.541 7.769 11 HB2 ASP 3 HB3 ASP 3 5.000 -9.363 6.015 12 HB3 ASP 3 HB2 ASP 3 6.297 -9.681 7.166 13 H THR 4 H THR 4 2.622 -9.720 8.388 14 HA THR 4 HA THR 4 0.778 -8.557 6.570 15 HB THR 4 HB THR 4 0.358 -9.807 9.307 16 HG1 THR 4 HG1 THR 4 1.149 -11.439 8.254 17 HG21 THR 4 HG21 THR 4 -1.748 -10.435 7.549 18 HG22 THR 4 HG22 THR 4 -1.479 -8.701 7.366 19 HG23 THR 4 HG23 THR 4 -1.821 -9.377 8.960 20 H GLN 5 H GLN 5 1.294 -7.825 10.043 21 HA GLN 5 HA GLN 5 -0.605 -5.772 10.359 22 HB2 GLN 5 HB3 GLN 5 2.208 -5.915 11.494 23 HB3 GLN 5 HB2 GLN 5 0.822 -5.105 12.226 24 HG2 GLN 5 HG3 GLN 5 0.048 -7.789 11.649 25 HG3 GLN 5 HG2 GLN 5 1.602 -7.847 12.483 26 HE21 GLN 5 HE21 GLN 5 1.722 -6.756 14.634 27 HE22 GLN 5 HE22 GLN 5 0.305 -6.521 15.540 28 H LEU 6 H LEU 6 2.552 -5.697 8.789 29 HA LEU 6 HA LEU 6 2.919 -2.866 8.634 30 HB2 LEU 6 HB3 LEU 6 4.149 -5.253 7.778 31 HB3 LEU 6 HB2 LEU 6 3.853 -4.328 6.305 32 HG LEU 6 HG LEU 6 4.804 -2.324 7.725 33 HD11 LEU 6 HD11 LEU 6 5.170 -4.579 9.472 34 HD12 LEU 6 HD12 LEU 6 5.572 -2.886 9.764 35 HD13 LEU 6 HD13 LEU 6 6.749 -3.954 8.999 36 HD21 LEU 6 HD21 LEU 6 7.191 -3.267 7.085 37 HD22 LEU 6 HD22 LEU 6 6.030 -2.867 5.819 38 HD23 LEU 6 HD23 LEU 6 6.251 -4.545 6.316 39 H PHE 7 H PHE 7 1.266 -5.160 6.461 40 HA PHE 7 HA PHE 7 0.537 -3.106 4.528 41 HB2 PHE 7 HB3 PHE 7 0.302 -5.014 3.339 42 HB3 PHE 7 HB2 PHE 7 0.591 -5.950 4.802 43 HD1 PHE 7 HD1 PHE 7 -1.046 -7.491 5.382 44 HD2 PHE 7 HD2 PHE 7 -2.190 -3.923 3.283 45 HE1 PHE 7 HE1 PHE 7 -3.402 -8.267 5.346 46 HE2 PHE 7 HE2 PHE 7 -4.546 -4.698 3.247 47 HZ PHE 7 HZ PHE 7 -5.151 -6.870 4.280 48 H ASN 8 H ASN 8 -0.999 -4.633 7.326 49 HA ASN 8 HA ASN 8 -3.683 -3.839 6.963 50 HB2 ASN 8 HB3 ASN 8 -1.837 -4.431 9.229 51 HB3 ASN 8 HB2 ASN 8 -3.369 -3.654 9.633 52 HD21 ASN 8 HD21 ASN 8 -1.896 -6.655 8.669 53 HD22 ASN 8 HD22 ASN 8 -3.328 -7.559 8.551 54 H ARG 9 H ARG 9 -1.000 -2.018 8.482 55 HA ARG 9 HA ARG 9 -2.616 0.332 8.994 56 HB2 ARG 9 HB3 ARG 9 -0.410 1.294 9.578 57 HB3 ARG 9 HB2 ARG 9 -0.614 -0.308 10.286 58 HG2 ARG 9 HG3 ARG 9 0.763 -1.324 8.609 59 HG3 ARG 9 HG2 ARG 9 0.767 0.145 7.632 60 HD2 ARG 9 HD3 ARG 9 1.799 0.301 10.448 61 HD3 ARG 9 HD2 ARG 9 2.840 -0.389 9.186 62 HE ARG 9 HE ARG 9 1.736 1.939 8.072 63 HH11 ARG 9 HH11 ARG 9 3.695 1.037 10.771 64 HH12 ARG 9 HH12 ARG 9 4.554 2.540 10.813 65 HH21 ARG 9 HH21 ARG 9 2.847 3.902 8.122 66 HH22 ARG 9 HH22 ARG 9 4.076 4.160 9.316 67 H ALA 10 H ALA 10 -0.477 -0.716 6.368 68 HA ALA 10 HA ALA 10 -0.345 1.833 5.015 69 HB1 ALA 10 HB1 ALA 10 0.037 -0.082 3.094 70 HB2 ALA 10 HB2 ALA 10 0.343 -1.010 4.562 71 HB3 ALA 10 HB3 ALA 10 1.288 0.441 4.222 72 H VAL 11 H VAL 11 -2.430 -1.042 4.630 73 HA VAL 11 HA VAL 11 -3.939 -0.031 2.409 74 HB VAL 11 HB VAL 11 -3.626 -2.386 3.753 75 HG11 VAL 11 HG11 VAL 11 -6.428 -1.443 4.431 76 HG12 VAL 11 HG12 VAL 11 -5.116 -1.602 5.600 77 HG13 VAL 11 HG13 VAL 11 -5.741 -3.031 4.776 78 HG21 VAL 11 HG21 VAL 11 -4.606 -1.704 1.409 79 HG22 VAL 11 HG22 VAL 11 -6.158 -1.964 2.205 80 HG23 VAL 11 HG23 VAL 11 -4.989 -3.281 2.101 81 H SER 12 H SER 12 -4.282 0.286 5.918 82 HA SER 12 HA SER 12 -6.931 1.388 5.957 83 HB2 SER 12 HB3 SER 12 -5.439 0.435 7.832 84 HB3 SER 12 HB2 SER 12 -4.675 2.022 7.867 85 HG SER 12 HG SER 12 -6.289 2.453 9.159 86 H MET 13 H MET 13 -3.709 2.934 5.831 87 HA MET 13 HA MET 13 -4.722 5.640 5.861 88 HB2 MET 13 HB3 MET 13 -2.368 6.119 5.121 89 HB3 MET 13 HB2 MET 13 -2.451 5.053 6.523 90 HG2 MET 13 HG3 MET 13 -1.939 3.133 5.244 91 HG3 MET 13 HG2 MET 13 -2.329 3.936 3.723 92 HE1 MET 13 HE1 MET 13 1.434 4.143 6.260 93 HE2 MET 13 HE2 MET 13 -0.066 3.260 6.528 94 HE3 MET 13 HE3 MET 13 0.007 4.984 6.882 95 H VAL 14 H VAL 14 -4.047 3.293 3.305 96 HA VAL 14 HA VAL 14 -4.245 5.195 1.114 97 HB VAL 14 HB VAL 14 -4.280 2.190 1.428 98 HG11 VAL 14 HG11 VAL 14 -3.828 2.798 -1.275 99 HG12 VAL 14 HG12 VAL 14 -5.229 3.768 -0.819 100 HG13 VAL 14 HG13 VAL 14 -5.257 2.018 -0.598 101 HG21 VAL 14 HG21 VAL 14 -2.155 3.503 1.732 102 HG22 VAL 14 HG22 VAL 14 -2.324 4.071 0.070 103 HG23 VAL 14 HG23 VAL 14 -2.086 2.353 0.396 104 H GLU 15 H GLU 15 -6.472 2.728 2.458 105 HA GLU 15 HA GLU 15 -8.635 3.224 0.663 106 HB2 GLU 15 HB3 GLU 15 -9.870 1.880 2.206 107 HB3 GLU 15 HB2 GLU 15 -8.208 1.302 2.309 108 HG2 GLU 15 HG3 GLU 15 -8.584 1.569 4.555 109 HG3 GLU 15 HG2 GLU 15 -8.111 3.229 4.189 110 H LYS 16 H LYS 16 -7.557 4.920 3.551 111 HA LYS 16 HA LYS 16 -10.049 6.534 3.646 112 HB2 LYS 16 HB3 LYS 16 -9.199 7.265 5.762 113 HB3 LYS 16 HB2 LYS 16 -8.807 5.551 5.658 114 HG2 LYS 16 HG3 LYS 16 -6.534 5.952 5.329 115 HG3 LYS 16 HG2 LYS 16 -6.801 7.568 4.683 116 HD2 LYS 16 HD3 LYS 16 -6.191 8.268 6.753 117 HD3 LYS 16 HD2 LYS 16 -7.837 7.822 7.205 118 HE2 LYS 16 HE3 LYS 16 -7.010 6.252 8.609 119 HE3 LYS 16 HE2 LYS 16 -6.229 5.443 7.236 120 HZ1 LYS 16 HZ1 LYS 16 -4.720 6.377 9.055 121 HZ2 LYS 16 HZ2 LYS 16 -5.098 7.905 8.417 122 HZ3 LYS 16 HZ3 LYS 16 -4.326 6.744 7.447 123 H ASN 17 H ASN 17 -6.866 6.655 2.333 124 HA ASN 17 HA ASN 17 -6.140 9.350 2.353 125 HB2 ASN 17 HB3 ASN 17 -5.382 7.029 1.082 126 HB3 ASN 17 HB2 ASN 17 -5.942 8.014 -0.269 127 HD21 ASN 17 HD21 ASN 17 -4.323 9.305 -1.136 128 HD22 ASN 17 HD22 ASN 17 -3.002 9.930 -0.273 129 H LYS 18 H LYS 18 -7.431 11.094 1.900 130 HA LYS 18 HA LYS 18 -9.878 11.035 0.455 131 HB2 LYS 18 HB3 LYS 18 -9.727 13.433 0.635 132 HB3 LYS 18 HB2 LYS 18 -8.950 12.771 2.073 133 HG2 LYS 18 HG3 LYS 18 -6.742 13.001 0.974 134 HG3 LYS 18 HG2 LYS 18 -7.531 13.706 -0.439 135 HD2 LYS 18 HD3 LYS 18 -7.464 14.840 2.371 136 HD3 LYS 18 HD2 LYS 18 -6.720 15.528 0.927 137 HE2 LYS 18 HE3 LYS 18 -9.331 15.281 0.110 138 HE3 LYS 18 HE2 LYS 18 -9.527 15.674 1.831 139 HZ1 LYS 18 HZ1 LYS 18 -9.131 17.766 1.146 140 HZ2 LYS 18 HZ2 LYS 18 -8.401 17.275 -0.308 141 HZ3 LYS 18 HZ3 LYS 18 -7.505 17.285 1.135 142 H ASP 19 H ASP 19 -6.548 11.407 -0.633 143 HA ASP 19 HA ASP 19 -7.113 12.406 -3.278 144 HB2 ASP 19 HB3 ASP 19 -4.839 10.913 -1.954 145 HB3 ASP 19 HB2 ASP 19 -4.762 11.408 -3.646 146 H ILE 20 H ILE 20 -6.458 9.107 -2.046 147 HA ILE 20 HA ILE 20 -6.893 7.805 -4.591 148 HB ILE 20 HB ILE 20 -7.018 6.802 -1.726 149 HG12 ILE 20 HG13 ILE 20 -4.871 7.800 -2.111 150 HG13 ILE 20 HG12 ILE 20 -4.645 6.061 -2.310 151 HG21 ILE 20 HG21 ILE 20 -7.650 5.501 -4.158 152 HG22 ILE 20 HG22 ILE 20 -7.423 4.757 -2.575 153 HG23 ILE 20 HG23 ILE 20 -6.058 4.909 -3.682 154 HD11 ILE 20 HD11 ILE 20 -5.068 6.441 -4.806 155 HD12 ILE 20 HD12 ILE 20 -3.541 7.059 -4.174 156 HD13 ILE 20 HD13 ILE 20 -4.886 8.163 -4.470 157 H ARG 21 H ARG 21 -8.950 8.500 -1.777 158 HA ARG 21 HA ARG 21 -11.228 6.976 -2.368 159 HB2 ARG 21 HB3 ARG 21 -11.006 8.271 -0.346 160 HB3 ARG 21 HB2 ARG 21 -10.860 9.774 -1.257 161 HG2 ARG 21 HG3 ARG 21 -13.219 9.143 -2.195 162 HG3 ARG 21 HG2 ARG 21 -13.304 8.083 -0.788 163 HD2 ARG 21 HD3 ARG 21 -12.862 11.090 -0.768 164 HD3 ARG 21 HD2 ARG 21 -14.268 10.212 -0.134 165 HE ARG 21 HE ARG 21 -11.858 9.180 1.045 166 HH11 ARG 21 HH11 ARG 21 -14.006 11.884 1.050 167 HH12 ARG 21 HH12 ARG 21 -13.671 12.310 2.693 168 HH21 ARG 21 HH21 ARG 21 -11.410 9.730 3.185 169 HH22 ARG 21 HH22 ARG 21 -12.202 11.093 3.902 170 H SER 22 H SER 22 -10.146 10.028 -3.819 171 HA SER 22 HA SER 22 -12.502 10.660 -5.302 172 HB2 SER 22 HB3 SER 22 -9.544 11.148 -5.752 173 HB3 SER 22 HB2 SER 22 -10.806 11.909 -6.721 174 HG SER 22 HG SER 22 -9.866 12.772 -4.471 175 H LEU 23 H LEU 23 -9.683 8.635 -6.106 176 HA LEU 23 HA LEU 23 -10.573 8.017 -8.805 177 HB2 LEU 23 HB3 LEU 23 -8.678 6.492 -6.990 178 HB3 LEU 23 HB2 LEU 23 -8.689 6.491 -8.753 179 HG LEU 23 HG LEU 23 -8.132 8.910 -7.016 180 HD11 LEU 23 HD11 LEU 23 -6.456 6.755 -7.610 181 HD12 LEU 23 HD12 LEU 23 -5.945 8.351 -7.061 182 HD13 LEU 23 HD13 LEU 23 -6.008 7.990 -8.786 183 HD21 LEU 23 HD21 LEU 23 -7.205 9.474 -9.520 184 HD22 LEU 23 HD22 LEU 23 -8.801 9.945 -8.939 185 HD23 LEU 23 HD23 LEU 23 -8.611 8.483 -9.906 186 H LEU 24 H LEU 24 -10.881 6.497 -5.628 187 HA LEU 24 HA LEU 24 -12.324 4.171 -6.786 188 HB2 LEU 24 HB3 LEU 24 -10.851 4.893 -4.340 189 HB3 LEU 24 HB2 LEU 24 -12.289 3.916 -4.044 190 HG LEU 24 HG LEU 24 -10.537 3.074 -6.299 191 HD11 LEU 24 HD11 LEU 24 -9.664 1.901 -3.782 192 HD12 LEU 24 HD12 LEU 24 -9.377 3.641 -3.817 193 HD13 LEU 24 HD13 LEU 24 -8.698 2.609 -5.076 194 HD21 LEU 24 HD21 LEU 24 -11.813 1.487 -4.056 195 HD22 LEU 24 HD22 LEU 24 -11.276 0.890 -5.627 196 HD23 LEU 24 HD23 LEU 24 -12.686 1.945 -5.519 197 H GLN 25 H GLN 25 -13.180 7.253 -5.868 198 HA GLN 25 HA GLN 25 -15.223 8.223 -5.155 199 HB2 GLN 25 HB3 GLN 25 -16.238 5.558 -6.205 200 HB3 GLN 25 HB2 GLN 25 -17.169 7.050 -6.075 201 HG2 GLN 25 HG3 GLN 25 -15.593 8.141 -7.663 202 HG3 GLN 25 HG2 GLN 25 -14.741 6.607 -7.836 203 HE21 GLN 25 HE21 GLN 25 -15.678 5.000 -9.203 204 HE22 GLN 25 HE22 GLN 25 -17.129 5.235 -10.053 205 H CYS 26 H CYS 26 -13.715 6.665 -3.182 206 HA CYS 26 HA CYS 26 -15.539 4.989 -1.668 207 HB2 CYS 26 HB3 CYS 26 -13.177 4.593 -1.564 208 HB3 CYS 26 HB2 CYS 26 -12.844 6.283 -1.191 209 HG CYS 26 HG CYS 26 -14.478 4.607 0.866 210 H ASP 27 H ASP 27 -16.132 5.541 0.593 211 HA ASP 27 HA ASP 27 -16.582 8.474 1.018 212 HB2 ASP 27 HB3 ASP 27 -18.431 6.219 0.706 213 HB3 ASP 27 HB2 ASP 27 -18.726 7.139 2.182 214 H ASP 28 H ASP 28 -17.032 8.940 3.387 215 HA ASP 28 HA ASP 28 -16.476 6.990 5.435 216 HB2 ASP 28 HB3 ASP 28 -14.268 7.076 4.338 217 HB3 ASP 28 HB2 ASP 28 -14.217 8.824 4.566 218 H GLY 29 H GLY 29 -18.400 8.319 6.095 219 HA2 GLY 29 HA3 GLY 29 -17.535 10.556 7.812 220 HA3 GLY 29 HA2 GLY 29 -18.721 10.958 6.569 221 H ILE 30 H ILE 30 -19.463 11.289 9.193 222 HA ILE 30 HA ILE 30 -20.667 9.051 10.485 223 HB ILE 30 HB ILE 30 -20.211 11.387 11.361 224 HG12 ILE 30 HG13 ILE 30 -23.104 10.584 11.727 225 HG13 ILE 30 HG12 ILE 30 -21.781 9.644 12.417 226 HG21 ILE 30 HG21 ILE 30 -21.798 12.102 9.170 227 HG22 ILE 30 HG22 ILE 30 -21.247 13.176 10.455 228 HG23 ILE 30 HG23 ILE 30 -22.825 12.397 10.573 229 HD11 ILE 30 HD11 ILE 30 -22.976 11.759 13.675 230 HD12 ILE 30 HD12 ILE 30 -21.604 12.551 12.900 231 HD13 ILE 30 HD13 ILE 30 -21.334 11.208 14.010 232 H THR 31 H THR 31 -21.605 10.823 7.653 233 HA THR 31 HA THR 31 -24.424 9.918 7.786 234 HB THR 31 HB THR 31 -23.633 12.204 7.015 235 HG1 THR 31 HG1 THR 31 -24.927 10.779 4.952 236 HG21 THR 31 HG21 THR 31 -22.735 10.651 4.573 237 HG22 THR 31 HG22 THR 31 -21.638 11.317 5.784 238 HG23 THR 31 HG23 THR 31 -22.637 12.396 4.810 239 H GLY 32 H GLY 32 -21.397 8.904 6.457 240 HA2 GLY 32 HA3 GLY 32 -22.585 6.494 5.359 241 HA3 GLY 32 HA2 GLY 32 -22.036 7.593 4.092 242 H LYS 33 H LYS 33 -21.051 4.929 5.600 243 HA LYS 33 HA LYS 33 -18.171 5.780 5.626 244 HB2 LYS 33 HB3 LYS 33 -19.848 4.055 7.423 245 HB3 LYS 33 HB2 LYS 33 -18.127 3.698 7.266 246 HG2 LYS 33 HG3 LYS 33 -17.525 5.524 8.464 247 HG3 LYS 33 HG2 LYS 33 -18.692 6.556 7.636 248 HD2 LYS 33 HD3 LYS 33 -20.273 6.266 9.242 249 HD3 LYS 33 HD2 LYS 33 -19.908 4.549 9.420 250 HE2 LYS 33 HE3 LYS 33 -19.161 5.376 11.480 251 HE3 LYS 33 HE2 LYS 33 -17.669 5.488 10.524 252 HZ1 LYS 33 HZ1 LYS 33 -17.792 7.650 11.123 253 HZ2 LYS 33 HZ2 LYS 33 -19.467 7.601 11.405 254 HZ3 LYS 33 HZ3 LYS 33 -18.873 7.748 9.820 255 H GLU 34 H GLU 34 -16.960 4.719 4.107 256 HA GLU 34 HA GLU 34 -18.122 2.293 2.806 257 HB2 GLU 34 HB3 GLU 34 -17.557 4.255 1.417 258 HB3 GLU 34 HB2 GLU 34 -15.897 4.201 2.011 259 HG2 GLU 34 HG3 GLU 34 -15.818 3.073 -0.075 260 HG3 GLU 34 HG2 GLU 34 -15.842 1.784 1.129 261 H ARG 35 H ARG 35 -17.019 0.332 2.890 262 HA ARG 35 HA ARG 35 -14.458 0.297 4.455 263 HB2 ARG 35 HB3 ARG 35 -16.320 -0.723 5.638 264 HB3 ARG 35 HB2 ARG 35 -16.746 -1.682 4.219 265 HG2 ARG 35 HG3 ARG 35 -15.488 -3.046 5.842 266 HG3 ARG 35 HG2 ARG 35 -14.567 -2.842 4.352 267 HD2 ARG 35 HD3 ARG 35 -12.923 -1.653 5.397 268 HD3 ARG 35 HD2 ARG 35 -14.089 -0.733 6.369 269 HE ARG 35 HE ARG 35 -13.997 -3.523 7.160 270 HH11 ARG 35 HH11 ARG 35 -12.452 -0.443 7.412 271 HH12 ARG 35 HH12 ARG 35 -11.753 -0.778 8.959 272 HH21 ARG 35 HH21 ARG 35 -13.088 -3.969 9.176 273 HH22 ARG 35 HH22 ARG 35 -12.112 -2.771 9.957 274 H LEU 36 H LEU 36 -12.723 -0.329 3.250 275 HA LEU 36 HA LEU 36 -13.216 -1.861 0.727 276 HB2 LEU 36 HB3 LEU 36 -10.886 -0.154 1.657 277 HB3 LEU 36 HB2 LEU 36 -11.033 -0.901 0.065 278 HG LEU 36 HG LEU 36 -13.245 0.863 1.067 279 HD11 LEU 36 HD11 LEU 36 -10.491 1.665 0.277 280 HD12 LEU 36 HD12 LEU 36 -11.630 2.470 1.356 281 HD13 LEU 36 HD13 LEU 36 -11.820 2.611 -0.392 282 HD21 LEU 36 HD21 LEU 36 -13.884 0.003 -0.974 283 HD22 LEU 36 HD22 LEU 36 -12.220 -0.233 -1.511 284 HD23 LEU 36 HD23 LEU 36 -12.943 1.375 -1.559 285 H LYS 37 H LYS 37 -12.020 -3.747 0.338 286 HA LYS 37 HA LYS 37 -10.521 -4.841 2.696 287 HB2 LYS 37 HB3 LYS 37 -12.074 -6.256 0.504 288 HB3 LYS 37 HB2 LYS 37 -11.329 -7.026 1.906 289 HG2 LYS 37 HG3 LYS 37 -13.140 -4.776 2.537 290 HG3 LYS 37 HG2 LYS 37 -13.926 -6.191 1.834 291 HD2 LYS 37 HD3 LYS 37 -13.372 -7.559 3.616 292 HD3 LYS 37 HD2 LYS 37 -11.924 -6.633 4.012 293 HE2 LYS 37 HE3 LYS 37 -13.208 -5.786 5.710 294 HE3 LYS 37 HE2 LYS 37 -13.921 -4.774 4.437 295 HZ1 LYS 37 HZ1 LYS 37 -15.802 -5.832 5.077 296 HZ2 LYS 37 HZ2 LYS 37 -14.977 -7.179 5.703 297 HZ3 LYS 37 HZ3 LYS 37 -15.232 -7.037 4.028 298 H ALA 38 H ALA 38 -8.409 -5.411 2.326 299 HA ALA 38 HA ALA 38 -7.508 -5.891 -0.479 300 HB1 ALA 38 HB1 ALA 38 -6.690 -3.752 1.456 301 HB2 ALA 38 HB2 ALA 38 -6.924 -3.644 -0.288 302 HB3 ALA 38 HB3 ALA 38 -5.471 -4.403 0.362 303 H TYR 39 H TYR 39 -5.584 -7.201 -0.581 304 HA TYR 39 HA TYR 39 -4.332 -8.130 1.923 305 HB2 TYR 39 HB3 TYR 39 -4.958 -10.568 0.925 306 HB3 TYR 39 HB2 TYR 39 -5.974 -9.732 2.095 307 HD1 TYR 39 HD1 TYR 39 -8.240 -9.722 1.602 308 HD2 TYR 39 HD2 TYR 39 -5.408 -9.628 -1.626 309 HE1 TYR 39 HE1 TYR 39 -10.105 -9.691 -0.031 310 HE2 TYR 39 HE2 TYR 39 -7.273 -9.597 -3.260 311 HH TYR 39 HH TYR 39 -9.497 -9.872 -3.517 312 H GLY 40 H GLY 40 -2.583 -9.794 1.380 313 HA2 GLY 40 HA3 GLY 40 -0.899 -8.808 -0.702 314 HA3 GLY 40 HA2 GLY 40 -0.643 -10.318 0.174 315 H GLU 41 H GLU 41 -0.040 -11.450 -1.739 316 HA GLU 41 HA GLU 41 -1.851 -11.560 -4.042 317 HB2 GLU 41 HB3 GLU 41 -0.120 -12.945 -4.964 318 HB3 GLU 41 HB2 GLU 41 0.701 -11.709 -4.009 319 HG2 GLU 41 HG3 GLU 41 0.660 -13.368 -2.070 320 HG3 GLU 41 HG2 GLU 41 0.170 -14.587 -3.248 321 H LEU 42 H LEU 42 -3.486 -13.034 -4.303 322 HA LEU 42 HA LEU 42 -3.419 -15.720 -3.241 323 HB2 LEU 42 HB3 LEU 42 -3.720 -14.324 -1.178 324 HB3 LEU 42 HB2 LEU 42 -5.230 -13.715 -1.858 325 HG LEU 42 HG LEU 42 -5.130 -16.612 -1.996 326 HD11 LEU 42 HD11 LEU 42 -5.421 -15.793 0.828 327 HD12 LEU 42 HD12 LEU 42 -3.773 -15.718 0.207 328 HD13 LEU 42 HD13 LEU 42 -4.669 -17.235 0.146 329 HD21 LEU 42 HD21 LEU 42 -7.331 -16.405 -1.111 330 HD22 LEU 42 HD22 LEU 42 -7.104 -14.965 -2.103 331 HD23 LEU 42 HD23 LEU 42 -6.962 -14.858 -0.349 332 H ILE 43 H ILE 43 -4.744 -16.871 -4.594 333 HA ILE 43 HA ILE 43 -7.121 -15.477 -5.780 334 HB ILE 43 HB ILE 43 -6.517 -16.606 -7.903 335 HG12 ILE 43 HG13 ILE 43 -3.817 -17.317 -6.910 336 HG13 ILE 43 HG12 ILE 43 -5.129 -18.344 -6.331 337 HG21 ILE 43 HG21 ILE 43 -5.661 -14.361 -7.573 338 HG22 ILE 43 HG22 ILE 43 -4.391 -15.327 -8.326 339 HG23 ILE 43 HG23 ILE 43 -4.323 -14.969 -6.600 340 HD11 ILE 43 HD11 ILE 43 -5.553 -17.867 -9.115 341 HD12 ILE 43 HD12 ILE 43 -5.186 -19.395 -8.316 342 HD13 ILE 43 HD13 ILE 43 -3.876 -18.369 -8.899 343 H THR 44 H THR 44 -8.193 -17.547 -7.184 344 HA THR 44 HA THR 44 -9.407 -19.566 -6.984 345 HB THR 44 HB THR 44 -7.516 -20.206 -4.713 346 HG1 THR 44 HG1 THR 44 -6.982 -20.575 -7.464 347 HG21 THR 44 HG21 THR 44 -8.597 -22.171 -4.898 348 HG22 THR 44 HG22 THR 44 -7.820 -22.359 -6.471 349 HG23 THR 44 HG23 THR 44 -9.428 -21.643 -6.362 350 H ASN 45 H ASN 45 -10.191 -17.178 -5.488 351 HA ASN 45 HA ASN 45 -11.738 -16.569 -3.815 352 HB2 ASN 45 HB3 ASN 45 -12.148 -19.520 -4.258 353 HB3 ASN 45 HB2 ASN 45 -13.098 -18.666 -3.042 354 HD21 ASN 45 HD21 ASN 45 -13.210 -19.586 -6.240 355 HD22 ASN 45 HD22 ASN 45 -14.238 -18.376 -6.842 356 H ASP 46 H ASP 46 -11.300 -16.022 -1.726 357 HA ASP 46 HA ASP 46 -9.293 -17.545 -0.201 358 HB2 ASP 46 HB3 ASP 46 -9.474 -15.606 1.306 359 HB3 ASP 46 HB2 ASP 46 -9.352 -15.058 -0.366 360 H LYS 47 H LYS 47 -9.800 -17.989 2.174 361 HA LYS 47 HA LYS 47 -12.612 -18.999 2.455 362 HB2 LYS 47 HB3 LYS 47 -10.024 -20.014 3.678 363 HB3 LYS 47 HB2 LYS 47 -11.604 -20.787 3.802 364 HG2 LYS 47 HG3 LYS 47 -11.318 -21.808 1.819 365 HG3 LYS 47 HG2 LYS 47 -10.978 -20.267 1.030 366 HD2 LYS 47 HD3 LYS 47 -9.050 -21.763 0.800 367 HD3 LYS 47 HD2 LYS 47 -8.632 -20.396 1.834 368 HE2 LYS 47 HE3 LYS 47 -9.409 -21.985 3.787 369 HE3 LYS 47 HE2 LYS 47 -9.095 -23.267 2.600 370 HZ1 LYS 47 HZ1 LYS 47 -7.165 -21.073 3.032 371 HZ2 LYS 47 HZ2 LYS 47 -6.898 -22.596 2.330 372 HZ3 LYS 47 HZ3 LYS 47 -7.133 -22.460 4.008 373 H TRP 48 H TRP 48 -12.724 -19.499 5.114 374 HA TRP 48 HA TRP 48 -12.147 -16.841 6.385 375 HB2 TRP 48 HB3 TRP 48 -14.203 -17.591 7.799 376 HB3 TRP 48 HB2 TRP 48 -14.490 -17.048 6.146 377 HD1 TRP 48 HD1 TRP 48 -14.032 -20.318 8.142 378 HE1 TRP 48 HE1 TRP 48 -15.311 -22.194 6.919 379 HE3 TRP 48 HE3 TRP 48 -15.582 -17.771 3.998 380 HZ2 TRP 48 HZ2 TRP 48 -16.797 -22.563 4.501 381 HZ3 TRP 48 HZ3 TRP 48 -16.926 -18.905 2.253 382 HH2 TRP 48 HH2 TRP 48 -17.534 -21.296 2.498 383 H THR 49 H THR 49 -11.562 -20.212 6.500 384 HA THR 49 HA THR 49 -10.982 -20.232 9.410 385 HB THR 49 HB THR 49 -10.204 -22.640 8.136 386 HG1 THR 49 HG1 THR 49 -12.493 -22.858 7.167 387 HG21 THR 49 HG21 THR 49 -12.264 -23.502 9.248 388 HG22 THR 49 HG22 THR 49 -12.749 -21.837 9.572 389 HG23 THR 49 HG23 THR 49 -11.287 -22.491 10.312 390 H ARG 50 H ARG 50 -8.810 -21.103 10.091 391 HA ARG 50 HA ARG 50 -6.456 -20.906 10.099 392 HB2 ARG 50 HB3 ARG 50 -7.236 -21.546 7.260 393 HB3 ARG 50 HB2 ARG 50 -5.539 -21.303 7.679 394 HG2 ARG 50 HG3 ARG 50 -6.687 -22.992 9.670 395 HG3 ARG 50 HG2 ARG 50 -7.143 -23.636 8.093 396 HD2 ARG 50 HD3 ARG 50 -4.294 -22.784 8.604 397 HD3 ARG 50 HD2 ARG 50 -4.858 -24.393 9.099 398 HE ARG 50 HE ARG 50 -5.781 -23.975 6.460 399 HH11 ARG 50 HH11 ARG 50 -2.809 -24.224 8.200 400 HH12 ARG 50 HH12 ARG 50 -1.935 -24.899 6.867 401 HH21 ARG 50 HH21 ARG 50 -4.655 -24.867 4.718 402 HH22 ARG 50 HH22 ARG 50 -2.978 -25.265 4.899 403 H ASN 51 H ASN 51 -4.698 -19.705 8.298 404 HA ASN 51 HA ASN 51 -5.754 -17.009 7.651 405 HB2 ASN 51 HB3 ASN 51 -4.414 -17.713 10.090 406 HB3 ASN 51 HB2 ASN 51 -3.360 -16.647 9.161 407 HD21 ASN 51 HD21 ASN 51 -4.080 -14.453 8.774 408 HD22 ASN 51 HD22 ASN 51 -5.437 -13.801 9.559 409 H ARG 52 H ARG 52 -4.074 -15.712 6.478 410 HA ARG 52 HA ARG 52 -2.011 -17.462 5.179 411 HB2 ARG 52 HB3 ARG 52 -2.505 -16.006 3.155 412 HB3 ARG 52 HB2 ARG 52 -3.837 -17.045 3.660 413 HG2 ARG 52 HG3 ARG 52 -5.141 -15.285 4.260 414 HG3 ARG 52 HG2 ARG 52 -3.792 -14.415 4.988 415 HD2 ARG 52 HD3 ARG 52 -3.225 -13.355 3.001 416 HD3 ARG 52 HD2 ARG 52 -3.862 -14.674 1.999 417 HE ARG 52 HE ARG 52 -5.909 -13.327 3.599 418 HH11 ARG 52 HH11 ARG 52 -4.099 -13.394 0.655 419 HH12 ARG 52 HH12 ARG 52 -5.300 -12.538 -0.251 420 HH21 ARG 52 HH21 ARG 52 -7.482 -12.224 2.422 421 HH22 ARG 52 HH22 ARG 52 -7.211 -11.876 0.748 422 HA PRO 53 HA PRO 53 0.562 -14.168 6.737 423 HB2 PRO 53 HB3 PRO 53 2.942 -15.344 6.140 424 HB3 PRO 53 HB2 PRO 53 1.942 -15.851 7.515 425 HG2 PRO 53 HG3 PRO 53 2.323 -17.141 4.878 426 HG3 PRO 53 HG2 PRO 53 2.020 -17.870 6.461 427 HD2 PRO 53 HD3 PRO 53 0.127 -17.499 4.450 428 HD3 PRO 53 HD2 PRO 53 -0.223 -17.835 6.158 429 H ILE 54 H ILE 54 2.102 -12.637 5.798 430 HA ILE 54 HA ILE 54 1.885 -12.449 2.821 431 HB ILE 54 HB ILE 54 2.392 -10.476 5.067 432 HG12 ILE 54 HG13 ILE 54 0.049 -11.152 4.693 433 HG13 ILE 54 HG12 ILE 54 0.294 -9.473 4.209 434 HG21 ILE 54 HG21 ILE 54 2.565 -10.103 2.067 435 HG22 ILE 54 HG22 ILE 54 3.807 -9.752 3.268 436 HG23 ILE 54 HG23 ILE 54 2.351 -8.760 3.191 437 HD11 ILE 54 HD11 ILE 54 0.853 -10.661 1.864 438 HD12 ILE 54 HD12 ILE 54 -0.789 -10.207 2.318 439 HD13 ILE 54 HD13 ILE 54 -0.246 -11.872 2.526 440 H VAL 55 H VAL 55 3.798 -12.393 1.580 441 HA VAL 55 HA VAL 55 6.295 -13.101 3.023 442 HB VAL 55 HB VAL 55 5.339 -14.357 1.042 443 HG11 VAL 55 HG11 VAL 55 5.744 -13.349 -1.189 444 HG12 VAL 55 HG12 VAL 55 6.269 -11.858 -0.406 445 HG13 VAL 55 HG13 VAL 55 4.597 -12.396 -0.248 446 HG21 VAL 55 HG21 VAL 55 8.083 -13.379 1.432 447 HG22 VAL 55 HG22 VAL 55 7.761 -13.940 -0.209 448 HG23 VAL 55 HG23 VAL 55 7.506 -15.022 1.159 449 H SER 56 H SER 56 8.168 -11.875 2.890 450 HA SER 56 HA SER 56 7.982 -9.210 1.526 451 HB2 SER 56 HB3 SER 56 9.604 -9.340 3.967 452 HB3 SER 56 HB2 SER 56 8.363 -8.177 3.515 453 HG SER 56 HG SER 56 7.303 -9.212 5.033 454 H THR 57 H THR 57 9.979 -8.427 0.687 455 HA THR 57 HA THR 57 12.103 -10.519 0.479 456 HB THR 57 HB THR 57 12.545 -9.595 -1.686 457 HG1 THR 57 HG1 THR 57 12.512 -7.454 -1.406 458 HG21 THR 57 HG21 THR 57 10.312 -9.623 -2.760 459 HG22 THR 57 HG22 THR 57 9.560 -9.492 -1.170 460 HG23 THR 57 HG23 THR 57 10.491 -10.930 -1.589 461 H LYS 58 H LYS 58 14.289 -9.883 0.826 462 HA LYS 58 HA LYS 58 14.685 -7.115 1.915 463 HB2 LYS 58 HB3 LYS 58 16.087 -8.141 3.649 464 HB3 LYS 58 HB2 LYS 58 14.485 -8.881 3.665 465 HG2 LYS 58 HG3 LYS 58 15.636 -10.556 1.942 466 HG3 LYS 58 HG2 LYS 58 17.099 -10.032 2.777 467 HD2 LYS 58 HD3 LYS 58 14.628 -11.047 4.208 468 HD3 LYS 58 HD2 LYS 58 16.002 -12.071 3.789 469 HE2 LYS 58 HE3 LYS 58 17.347 -11.152 5.411 470 HE3 LYS 58 HE2 LYS 58 16.641 -9.535 5.220 471 HZ1 LYS 58 HZ1 LYS 58 14.736 -10.148 6.403 472 HZ2 LYS 58 HZ2 LYS 58 16.009 -10.816 7.307 473 HZ3 LYS 58 HZ3 LYS 58 15.075 -11.805 6.290 474 H LYS 59 H LYS 59 16.411 -6.069 0.993 475 HA LYS 59 HA LYS 59 18.611 -7.673 -0.218 476 HB2 LYS 59 HB3 LYS 59 16.577 -5.958 -1.561 477 HB3 LYS 59 HB2 LYS 59 18.236 -5.821 -2.147 478 HG2 LYS 59 HG3 LYS 59 18.274 -7.964 -2.964 479 HG3 LYS 59 HG2 LYS 59 17.210 -8.577 -1.697 480 HD2 LYS 59 HD3 LYS 59 16.039 -6.635 -3.634 481 HD3 LYS 59 HD2 LYS 59 16.365 -8.266 -4.223 482 HE2 LYS 59 HE3 LYS 59 15.061 -8.159 -1.565 483 HE3 LYS 59 HE2 LYS 59 14.066 -7.584 -2.919 484 HZ1 LYS 59 HZ1 LYS 59 15.113 -9.655 -4.091 485 HZ2 LYS 59 HZ2 LYS 59 13.743 -9.828 -3.102 486 HZ3 LYS 59 HZ3 LYS 59 15.283 -10.222 -2.501 487 H LEU 60 H LEU 60 20.519 -6.772 0.433 488 HA LEU 60 HA LEU 60 20.510 -4.031 1.573 489 HB2 LEU 60 HB3 LEU 60 22.818 -4.781 2.299 490 HB3 LEU 60 HB2 LEU 60 21.508 -5.811 2.878 491 HG LEU 60 HG LEU 60 22.385 -6.692 0.267 492 HD11 LEU 60 HD11 LEU 60 24.550 -7.142 2.254 493 HD12 LEU 60 HD12 LEU 60 24.489 -5.543 1.513 494 HD13 LEU 60 HD13 LEU 60 24.649 -6.978 0.501 495 HD21 LEU 60 HD21 LEU 60 22.686 -8.817 1.518 496 HD22 LEU 60 HD22 LEU 60 21.140 -8.055 1.891 497 HD23 LEU 60 HD23 LEU 60 22.478 -7.937 3.033 498 H ASP 61 H ASP 61 21.528 -2.318 0.565 499 HA ASP 61 HA ASP 61 22.498 -2.712 -2.194 500 HB2 ASP 61 HB3 ASP 61 21.188 -0.722 -0.678 501 HB3 ASP 61 HB2 ASP 61 22.759 -0.041 -1.101 502 H LYS 62 H LYS 62 24.431 -0.749 -2.404 503 HA LYS 62 HA LYS 62 26.799 -2.073 -1.404 504 HB2 LYS 62 HB3 LYS 62 27.890 -0.092 -2.471 505 HB3 LYS 62 HB2 LYS 62 26.694 -0.850 -3.523 506 HG2 LYS 62 HG3 LYS 62 25.252 0.925 -3.391 507 HG3 LYS 62 HG2 LYS 62 25.689 1.287 -1.721 508 HD2 LYS 62 HD3 LYS 62 27.007 2.946 -2.471 509 HD3 LYS 62 HD2 LYS 62 28.018 1.734 -3.261 510 HE2 LYS 62 HE3 LYS 62 27.398 3.002 -5.116 511 HE3 LYS 62 HE2 LYS 62 26.051 1.848 -5.088 512 HZ1 LYS 62 HZ1 LYS 62 25.022 3.933 -5.092 513 HZ2 LYS 62 HZ2 LYS 62 26.135 4.595 -3.990 514 HZ3 LYS 62 HZ3 LYS 62 24.983 3.461 -3.463 515 H GLU 63 H GLU 63 24.648 0.227 -0.034 516 HA GLU 63 HA GLU 63 26.671 1.408 1.774 517 HB2 GLU 63 HB3 GLU 63 23.677 1.728 1.399 518 HB3 GLU 63 HB2 GLU 63 24.623 2.658 2.563 519 HG2 GLU 63 HG3 GLU 63 26.028 2.841 0.125 520 HG3 GLU 63 HG2 GLU 63 24.329 3.080 -0.283 521 H GLY 64 H GLY 64 24.633 -1.329 1.703 522 HA2 GLY 64 HA3 GLY 64 24.598 -3.030 3.392 523 HA3 GLY 64 HA2 GLY 64 25.216 -1.854 4.552 524 H ARG 65 H ARG 65 22.586 -0.814 2.577 525 HA ARG 65 HA ARG 65 20.827 -0.810 4.977 526 HB2 ARG 65 HB3 ARG 65 21.459 1.091 3.160 527 HB3 ARG 65 HB2 ARG 65 20.027 0.414 2.385 528 HG2 ARG 65 HG3 ARG 65 18.657 1.379 3.892 529 HG3 ARG 65 HG2 ARG 65 19.611 0.762 5.242 530 HD2 ARG 65 HD3 ARG 65 19.693 3.186 5.343 531 HD3 ARG 65 HD2 ARG 65 21.280 2.636 4.766 532 HE ARG 65 HE ARG 65 19.703 2.928 2.466 533 HH11 ARG 65 HH11 ARG 65 20.817 4.877 5.092 534 HH12 ARG 65 HH12 ARG 65 20.846 6.337 4.163 535 HH21 ARG 65 HH21 ARG 65 19.740 4.824 1.246 536 HH22 ARG 65 HH22 ARG 65 20.236 6.309 1.989 537 H THR 66 H THR 66 19.300 -2.394 5.158 538 HA THR 66 HA THR 66 18.755 -4.259 2.987 539 HB THR 66 HB THR 66 17.489 -3.801 5.708 540 HG1 THR 66 HG1 THR 66 19.634 -5.353 4.748 541 HG21 THR 66 HG21 THR 66 16.739 -6.167 5.452 542 HG22 THR 66 HG22 THR 66 17.325 -6.139 3.788 543 HG23 THR 66 HG23 THR 66 15.997 -5.083 4.274 544 H HIS 67 H HIS 67 17.044 -4.188 1.556 545 HA HIS 67 HA HIS 67 15.087 -1.939 1.863 546 HB2 HIS 67 HB3 HIS 67 16.159 -3.510 -0.500 547 HB3 HIS 67 HB2 HIS 67 14.846 -2.339 -0.637 548 HD1 HIS 67 HD1 HIS 67 17.997 -2.218 -1.684 549 HD2 HIS 67 HD2 HIS 67 16.177 0.007 1.334 550 HE1 HIS 67 HE1 HIS 67 19.388 -0.120 -1.403 551 H HIS 68 H HIS 68 12.844 -2.412 1.623 552 HA HIS 68 HA HIS 68 12.148 -5.333 1.600 553 HB2 HIS 68 HB3 HIS 68 11.334 -3.016 3.317 554 HB3 HIS 68 HB2 HIS 68 10.166 -4.309 3.043 555 HD1 HIS 68 HD1 HIS 68 10.493 -6.454 4.328 556 HD2 HIS 68 HD2 HIS 68 13.841 -3.978 4.526 557 HE1 HIS 68 HE1 HIS 68 12.078 -7.523 5.989 558 H TYR 69 H TYR 69 10.528 -5.916 0.175 559 HA TYR 69 HA TYR 69 9.080 -3.703 -1.248 560 HB2 TYR 69 HB3 TYR 69 10.153 -6.360 -2.252 561 HB3 TYR 69 HB2 TYR 69 9.209 -5.231 -3.224 562 HD1 TYR 69 HD1 TYR 69 10.291 -3.522 -4.406 563 HD2 TYR 69 HD2 TYR 69 12.295 -5.406 -1.109 564 HE1 TYR 69 HE1 TYR 69 12.353 -2.252 -4.936 565 HE2 TYR 69 HE2 TYR 69 14.359 -4.135 -1.638 566 HH TYR 69 HH TYR 69 15.255 -2.527 -2.890 567 H MET 70 H MET 70 6.888 -3.840 -0.942 568 HA MET 70 HA MET 70 5.641 -6.535 -0.668 569 HB2 MET 70 HB3 MET 70 6.292 -5.297 1.548 570 HB3 MET 70 HB2 MET 70 4.898 -4.279 1.182 571 HG2 MET 70 HG3 MET 70 3.770 -5.906 2.330 572 HG3 MET 70 HG2 MET 70 3.804 -6.719 0.767 573 HE1 MET 70 HE1 MET 70 6.144 -7.590 4.565 574 HE2 MET 70 HE2 MET 70 4.416 -7.265 4.442 575 HE3 MET 70 HE3 MET 70 5.574 -6.010 4.008 576 H ARG 71 H ARG 71 3.512 -6.595 -1.463 577 HA ARG 71 HA ARG 71 2.186 -4.056 -2.242 578 HB2 ARG 71 HB3 ARG 71 2.004 -4.876 -4.587 579 HB3 ARG 71 HB2 ARG 71 3.684 -4.643 -4.100 580 HG2 ARG 71 HG3 ARG 71 4.082 -6.785 -4.661 581 HG3 ARG 71 HG2 ARG 71 3.024 -7.278 -3.337 582 HD2 ARG 71 HD3 ARG 71 2.180 -8.291 -5.383 583 HD3 ARG 71 HD2 ARG 71 1.062 -6.989 -4.931 584 HE ARG 71 HE ARG 71 3.147 -5.914 -6.578 585 HH11 ARG 71 HH11 ARG 71 0.358 -7.948 -6.652 586 HH12 ARG 71 HH12 ARG 71 -0.016 -7.594 -8.305 587 HH21 ARG 71 HH21 ARG 71 2.666 -5.444 -8.738 588 HH22 ARG 71 HH22 ARG 71 1.286 -6.180 -9.484 589 H PHE 72 H PHE 72 -0.089 -4.355 -2.622 590 HA PHE 72 HA PHE 72 -1.229 -7.075 -2.425 591 HB2 PHE 72 HB3 PHE 72 -2.679 -6.095 -0.459 592 HB3 PHE 72 HB2 PHE 72 -1.064 -6.708 -0.116 593 HD1 PHE 72 HD1 PHE 72 -2.883 -3.560 -1.017 594 HD2 PHE 72 HD2 PHE 72 0.530 -5.325 0.903 595 HE1 PHE 72 HE1 PHE 72 -2.217 -1.333 -0.151 596 HE2 PHE 72 HE2 PHE 72 1.197 -3.099 1.768 597 HZ PHE 72 HZ PHE 72 -0.177 -1.102 1.240 598 H HIS 73 H HIS 73 -3.472 -7.107 -3.056 599 HA HIS 73 HA HIS 73 -4.259 -4.765 -4.697 600 HB2 HIS 73 HB3 HIS 73 -5.432 -7.545 -4.358 601 HB3 HIS 73 HB2 HIS 73 -5.880 -6.388 -5.610 602 HD1 HIS 73 HD1 HIS 73 -4.818 -7.069 -7.751 603 HD2 HIS 73 HD2 HIS 73 -2.265 -7.699 -4.516 604 HE1 HIS 73 HE1 HIS 73 -2.642 -7.933 -8.714 605 H VAL 74 H VAL 74 -6.458 -3.908 -4.537 606 HA VAL 74 HA VAL 74 -7.736 -4.308 -1.851 607 HB VAL 74 HB VAL 74 -7.428 -1.733 -3.430 608 HG11 VAL 74 HG11 VAL 74 -8.020 -1.831 -0.509 609 HG12 VAL 74 HG12 VAL 74 -9.329 -2.260 -1.610 610 HG13 VAL 74 HG13 VAL 74 -8.560 -0.676 -1.726 611 HG21 VAL 74 HG21 VAL 74 -5.996 -1.527 -1.047 612 HG22 VAL 74 HG22 VAL 74 -5.303 -1.754 -2.653 613 HG23 VAL 74 HG23 VAL 74 -5.618 -3.150 -1.624 614 H GLU 75 H GLU 75 -9.905 -4.803 -2.025 615 HA GLU 75 HA GLU 75 -11.178 -4.520 -4.714 616 HB2 GLU 75 HB3 GLU 75 -10.903 -6.677 -3.152 617 HB3 GLU 75 HB2 GLU 75 -12.390 -6.038 -2.450 618 HG2 GLU 75 HG3 GLU 75 -13.074 -5.799 -5.013 619 HG3 GLU 75 HG2 GLU 75 -11.899 -7.102 -5.198 620 H SER 76 H SER 76 -12.636 -2.899 -4.953 621 HA SER 76 HA SER 76 -14.001 -1.825 -2.504 622 HB2 SER 76 HB3 SER 76 -12.342 -0.360 -3.721 623 HB3 SER 76 HB2 SER 76 -13.387 -0.444 -5.137 624 HG SER 76 HG SER 76 -14.584 1.020 -4.242 625 H LYS 77 H LYS 77 -16.203 -0.835 -3.080 626 HA LYS 77 HA LYS 77 -17.817 -2.802 -4.485 627 HB2 LYS 77 HB3 LYS 77 -18.121 -0.386 -2.821 628 HB3 LYS 77 HB2 LYS 77 -19.415 -0.618 -3.998 629 HG2 LYS 77 HG3 LYS 77 -20.317 -2.192 -2.672 630 HG3 LYS 77 HG2 LYS 77 -18.854 -3.159 -2.857 631 HD2 LYS 77 HD3 LYS 77 -17.805 -1.862 -1.001 632 HD3 LYS 77 HD2 LYS 77 -19.335 -1.014 -0.771 633 HE2 LYS 77 HE3 LYS 77 -19.465 -2.776 0.803 634 HE3 LYS 77 HE2 LYS 77 -20.348 -3.432 -0.590 635 HZ1 LYS 77 HZ1 LYS 77 -18.287 -4.687 0.514 636 HZ2 LYS 77 HZ2 LYS 77 -17.455 -3.740 -0.625 637 HZ3 LYS 77 HZ3 LYS 77 -18.666 -4.817 -1.133 638 H LYS 78 H LYS 78 -16.099 0.002 -5.478 639 HA LYS 78 HA LYS 78 -17.859 0.400 -7.856 640 HB2 LYS 78 HB3 LYS 78 -15.725 1.963 -6.416 641 HB3 LYS 78 HB2 LYS 78 -16.161 2.387 -8.073 642 HG2 LYS 78 HG3 LYS 78 -17.934 3.521 -7.279 643 HG3 LYS 78 HG2 LYS 78 -18.597 2.001 -6.675 644 HD2 LYS 78 HD3 LYS 78 -16.568 2.727 -4.854 645 HD3 LYS 78 HD2 LYS 78 -17.470 4.206 -5.182 646 HE2 LYS 78 HE3 LYS 78 -19.105 1.754 -4.747 647 HE3 LYS 78 HE2 LYS 78 -18.279 2.419 -3.324 648 HZ1 LYS 78 HZ1 LYS 78 -20.485 3.451 -3.788 649 HZ2 LYS 78 HZ2 LYS 78 -19.846 4.061 -5.239 650 HZ3 LYS 78 HZ3 LYS 78 -19.201 4.558 -3.748 651 H LYS 79 H LYS 79 -14.656 -0.710 -6.900 652 HA LYS 79 HA LYS 79 -14.220 -2.118 -9.368 653 HB2 LYS 79 HB3 LYS 79 -12.495 -0.618 -10.316 654 HB3 LYS 79 HB2 LYS 79 -14.049 0.207 -10.191 655 HG2 LYS 79 HG3 LYS 79 -13.344 1.261 -8.088 656 HG3 LYS 79 HG2 LYS 79 -11.801 0.410 -8.166 657 HD2 LYS 79 HD3 LYS 79 -11.014 2.181 -9.323 658 HD3 LYS 79 HD2 LYS 79 -12.025 1.638 -10.663 659 HE2 LYS 79 HE3 LYS 79 -13.937 2.948 -9.475 660 HE3 LYS 79 HE2 LYS 79 -12.622 3.760 -8.602 661 HZ1 LYS 79 HZ1 LYS 79 -12.840 3.496 -11.556 662 HZ2 LYS 79 HZ2 LYS 79 -11.563 4.247 -10.723 663 HZ3 LYS 79 HZ3 LYS 79 -13.124 4.916 -10.671 664 H ILE 80 H ILE 80 -11.595 -2.461 -9.527 665 HA ILE 80 HA ILE 80 -10.721 -3.121 -6.733 666 HB ILE 80 HB ILE 80 -9.775 -4.441 -9.280 667 HG12 ILE 80 HG13 ILE 80 -12.198 -5.261 -7.647 668 HG13 ILE 80 HG12 ILE 80 -12.289 -4.455 -9.213 669 HG21 ILE 80 HG21 ILE 80 -10.232 -6.012 -6.843 670 HG22 ILE 80 HG22 ILE 80 -9.064 -4.710 -6.626 671 HG23 ILE 80 HG23 ILE 80 -8.804 -5.928 -7.875 672 HD11 ILE 80 HD11 ILE 80 -12.500 -6.893 -9.483 673 HD12 ILE 80 HD12 ILE 80 -10.948 -7.121 -8.676 674 HD13 ILE 80 HD13 ILE 80 -11.018 -6.308 -10.240 675 H ALA 81 H ALA 81 -8.596 -2.542 -6.138 676 HA ALA 81 HA ALA 81 -6.975 -1.088 -8.205 677 HB1 ALA 81 HB1 ALA 81 -8.398 0.215 -6.399 678 HB2 ALA 81 HB2 ALA 81 -6.754 0.738 -6.766 679 HB3 ALA 81 HB3 ALA 81 -7.070 -0.232 -5.327 680 H LEU 82 H LEU 82 -4.666 -1.107 -7.775 681 HA LEU 82 HA LEU 82 -3.801 -3.287 -5.899 682 HB2 LEU 82 HB3 LEU 82 -3.672 -3.298 -8.589 683 HB3 LEU 82 HB2 LEU 82 -2.153 -2.476 -8.244 684 HG LEU 82 HG LEU 82 -2.945 -5.049 -6.871 685 HD11 LEU 82 HD11 LEU 82 -1.720 -4.568 -9.560 686 HD12 LEU 82 HD12 LEU 82 -2.809 -5.853 -9.040 687 HD13 LEU 82 HD13 LEU 82 -1.105 -5.906 -8.590 688 HD21 LEU 82 HD21 LEU 82 -0.646 -5.139 -6.239 689 HD22 LEU 82 HD22 LEU 82 -1.137 -3.468 -5.962 690 HD23 LEU 82 HD23 LEU 82 -0.203 -3.886 -7.398 691 H VAL 83 H VAL 83 -2.506 -2.544 -4.278 692 HA VAL 83 HA VAL 83 -1.166 0.114 -4.636 693 HB VAL 83 HB VAL 83 -2.105 -1.419 -2.195 694 HG11 VAL 83 HG11 VAL 83 -0.079 -0.123 -1.690 695 HG12 VAL 83 HG12 VAL 83 -1.488 0.634 -0.949 696 HG13 VAL 83 HG13 VAL 83 -0.798 1.310 -2.424 697 HG21 VAL 83 HG21 VAL 83 -3.657 0.558 -2.019 698 HG22 VAL 83 HG22 VAL 83 -3.945 -0.445 -3.441 699 HG23 VAL 83 HG23 VAL 83 -3.083 1.085 -3.600 700 H HIS 84 H HIS 84 1.037 0.199 -4.515 701 HA HIS 84 HA HIS 84 2.506 -2.174 -3.416 702 HB2 HIS 84 HB3 HIS 84 2.271 -1.743 -6.027 703 HB3 HIS 84 HB2 HIS 84 3.549 -0.565 -5.725 704 HD1 HIS 84 HD1 HIS 84 5.190 -2.039 -3.604 705 HD2 HIS 84 HD2 HIS 84 3.721 -3.894 -7.035 706 HE1 HIS 84 HE1 HIS 84 6.643 -4.076 -3.994 707 H LEU 85 H LEU 85 3.971 -1.539 -1.849 708 HA LEU 85 HA LEU 85 4.930 1.304 -1.911 709 HB2 LEU 85 HB3 LEU 85 4.596 1.365 0.496 710 HB3 LEU 85 HB2 LEU 85 3.101 0.808 -0.256 711 HG LEU 85 HG LEU 85 4.258 -1.577 0.095 712 HD11 LEU 85 HD11 LEU 85 5.705 0.322 1.873 713 HD12 LEU 85 HD12 LEU 85 6.250 -1.202 1.171 714 HD13 LEU 85 HD13 LEU 85 5.209 -1.210 2.594 715 HD21 LEU 85 HD21 LEU 85 2.938 -1.791 2.139 716 HD22 LEU 85 HD22 LEU 85 2.064 -0.774 0.994 717 HD23 LEU 85 HD23 LEU 85 2.924 -0.040 2.347 718 H GLU 86 H GLU 86 7.051 1.630 -1.033 719 HA GLU 86 HA GLU 86 8.674 -0.870 -0.663 720 HB2 GLU 86 HB3 GLU 86 8.772 0.878 -2.766 721 HB3 GLU 86 HB2 GLU 86 9.974 1.588 -1.688 722 HG2 GLU 86 HG3 GLU 86 10.710 -0.989 -1.480 723 HG3 GLU 86 HG2 GLU 86 10.010 -1.036 -3.099 724 H ALA 87 H ALA 87 9.778 -0.902 1.277 725 HA ALA 87 HA ALA 87 10.166 1.713 2.703 726 HB1 ALA 87 HB1 ALA 87 9.028 0.854 4.471 727 HB2 ALA 87 HB2 ALA 87 9.881 -0.686 4.365 728 HB3 ALA 87 HB3 ALA 87 8.469 -0.389 3.351 729 H LYS 88 H LYS 88 12.181 1.981 3.687 730 HA LYS 88 HA LYS 88 14.110 -0.311 3.513 731 HB2 LYS 88 HB3 LYS 88 15.769 1.344 2.780 732 HB3 LYS 88 HB2 LYS 88 14.363 1.402 1.715 733 HG2 LYS 88 HG3 LYS 88 14.358 3.628 2.156 734 HG3 LYS 88 HG2 LYS 88 13.648 3.161 3.701 735 HD2 LYS 88 HD3 LYS 88 15.587 4.633 4.057 736 HD3 LYS 88 HD2 LYS 88 15.909 3.019 4.694 737 HE2 LYS 88 HE3 LYS 88 17.773 2.980 3.406 738 HE3 LYS 88 HE2 LYS 88 16.708 2.939 1.986 739 HZ1 LYS 88 HZ1 LYS 88 16.481 5.468 2.521 740 HZ2 LYS 88 HZ2 LYS 88 17.814 4.904 1.631 741 HZ3 LYS 88 HZ3 LYS 88 17.978 5.250 3.286 742 H GLU 89 H GLU 89 15.535 -0.479 5.270 743 HA GLU 89 HA GLU 89 14.852 1.108 7.678 744 HB2 GLU 89 HB3 GLU 89 16.245 -0.625 8.777 745 HB3 GLU 89 HB2 GLU 89 15.025 -1.360 7.739 746 HG2 GLU 89 HG3 GLU 89 16.661 -2.434 6.642 747 HG3 GLU 89 HG2 GLU 89 17.277 -0.875 6.096 748 H SER 90 H SER 90 16.148 2.790 8.363 749 HA SER 90 HA SER 90 18.827 3.090 7.048 750 HB2 SER 90 HB3 SER 90 18.089 5.544 8.099 751 HB3 SER 90 HB2 SER 90 17.841 5.037 6.431 752 HG SER 90 HG SER 90 16.053 5.099 8.592 753 H LYS 91 H LYS 91 20.570 2.976 8.375 754 HA LYS 91 HA LYS 91 21.761 2.593 10.387 755 HB2 LYS 91 HB3 LYS 91 21.506 5.089 9.887 756 HB3 LYS 91 HB2 LYS 91 20.282 5.124 11.148 757 HG2 LYS 91 HG3 LYS 91 22.827 3.779 11.864 758 HG3 LYS 91 HG2 LYS 91 22.923 5.524 11.623 759 HD2 LYS 91 HD3 LYS 91 20.900 4.164 13.425 760 HD3 LYS 91 HD2 LYS 91 22.407 4.884 13.990 761 HE2 LYS 91 HE3 LYS 91 21.658 7.065 12.922 762 HE3 LYS 91 HE2 LYS 91 20.072 6.307 12.674 763 HZ1 LYS 91 HZ1 LYS 91 19.699 6.992 14.773 764 HZ2 LYS 91 HZ2 LYS 91 21.351 7.146 15.139 765 HZ3 LYS 91 HZ3 LYS 91 20.603 5.623 15.205 766 H GLN 92 H GLN 92 19.169 4.241 12.153 767 HA GLN 92 HA GLN 92 18.774 1.729 13.714 768 HB2 GLN 92 HB3 GLN 92 19.342 4.337 14.425 769 HB3 GLN 92 HB2 GLN 92 17.599 4.250 14.677 770 HG2 GLN 92 HG3 GLN 92 18.026 2.073 15.942 771 HG3 GLN 92 HG2 GLN 92 19.737 2.499 15.906 772 HE21 GLN 92 HE21 GLN 92 19.364 2.556 18.379 773 HE22 GLN 92 HE22 GLN 92 18.808 4.015 19.047 774 H ASN 93 H ASN 93 16.257 2.951 14.809 775 HA ASN 93 HA ASN 93 13.938 2.805 14.365 776 HB2 ASN 93 HB3 ASN 93 14.848 3.450 11.544 777 HB3 ASN 93 HB2 ASN 93 13.287 3.830 12.273 778 HD21 ASN 93 HD21 ASN 93 13.613 5.180 14.476 779 HD22 ASN 93 HD22 ASN 93 14.724 6.457 14.363 780 H TYR 94 H TYR 94 14.445 0.378 14.689 781 HA TYR 94 HA TYR 94 14.932 -1.546 12.810 782 HB2 TYR 94 HB3 TYR 94 14.369 -1.883 15.209 783 HB3 TYR 94 HB2 TYR 94 12.679 -1.565 14.826 784 HD1 TYR 94 HD1 TYR 94 14.320 -3.198 12.123 785 HD2 TYR 94 HD2 TYR 94 12.483 -3.932 15.932 786 HE1 TYR 94 HE1 TYR 94 14.009 -5.583 11.511 787 HE2 TYR 94 HE2 TYR 94 12.170 -6.317 15.323 788 HH TYR 94 HH TYR 94 13.710 -7.898 13.238 789 H GLN 95 H GLN 95 12.139 0.416 13.006 790 HA GLN 95 HA GLN 95 10.625 -1.086 10.978 791 HB2 GLN 95 HB3 GLN 95 10.217 1.501 12.493 792 HB3 GLN 95 HB2 GLN 95 9.052 0.886 11.323 793 HG2 GLN 95 HG3 GLN 95 8.539 -0.993 12.630 794 HG3 GLN 95 HG2 GLN 95 10.033 -0.876 13.557 795 HE21 GLN 95 HE21 GLN 95 8.541 2.192 13.104 796 HE22 GLN 95 HE22 GLN 95 7.801 2.295 14.622 797 HA PRO 96 HA PRO 96 12.924 1.069 7.775 798 HB2 PRO 96 HB3 PRO 96 10.867 -0.191 6.054 799 HB3 PRO 96 HB2 PRO 96 12.634 -0.327 5.978 800 HG2 PRO 96 HG3 PRO 96 11.059 -2.329 6.848 801 HG3 PRO 96 HG2 PRO 96 12.700 -2.064 7.452 802 HD2 PRO 96 HD3 PRO 96 10.098 -1.516 8.766 803 HD3 PRO 96 HD2 PRO 96 11.663 -1.952 9.484 804 H ASP 97 H ASP 97 12.265 2.725 6.123 805 HA ASP 97 HA ASP 97 9.685 4.037 6.904 806 HB2 ASP 97 HB3 ASP 97 10.824 6.112 6.361 807 HB3 ASP 97 HB2 ASP 97 11.888 5.162 7.399 808 H PHE 98 H PHE 98 8.173 4.361 5.307 809 HA PHE 98 HA PHE 98 8.343 3.099 2.761 810 HB2 PHE 98 HB3 PHE 98 6.627 5.378 3.801 811 HB3 PHE 98 HB2 PHE 98 6.281 4.458 2.337 812 HD1 PHE 98 HD1 PHE 98 6.947 1.717 3.063 813 HD2 PHE 98 HD2 PHE 98 5.024 4.767 5.398 814 HE1 PHE 98 HE1 PHE 98 5.827 -0.029 4.424 815 HE2 PHE 98 HE2 PHE 98 3.905 3.021 6.758 816 HZ PHE 98 HZ PHE 98 4.306 0.623 6.271 817 H ILE 99 H ILE 99 9.291 3.779 0.879 818 HA ILE 99 HA ILE 99 10.163 6.644 0.700 819 HB ILE 99 HB ILE 99 11.934 5.547 -0.840 820 HG12 ILE 99 HG13 ILE 99 11.121 3.079 0.716 821 HG13 ILE 99 HG12 ILE 99 10.579 3.378 -0.938 822 HG21 ILE 99 HG21 ILE 99 11.976 6.220 1.767 823 HG22 ILE 99 HG22 ILE 99 13.361 5.486 0.960 824 HG23 ILE 99 HG23 ILE 99 12.271 4.487 1.922 825 HD11 ILE 99 HD11 ILE 99 12.744 3.210 -1.819 826 HD12 ILE 99 HD12 ILE 99 12.755 1.976 -0.559 827 HD13 ILE 99 HD13 ILE 99 13.506 3.544 -0.263 828 H ASN 100 H ASN 100 8.257 4.157 -0.695 829 HA ASN 100 HA ASN 100 7.490 5.940 -2.924 830 HB2 ASN 100 HB3 ASN 100 9.022 3.371 -3.158 831 HB3 ASN 100 HB2 ASN 100 7.878 3.799 -4.428 832 HD21 ASN 100 HD21 ASN 100 11.069 3.941 -3.944 833 HD22 ASN 100 HD22 ASN 100 11.446 5.429 -4.668 834 H MET 101 H MET 101 5.300 5.742 -3.181 835 HA MET 101 HA MET 101 3.986 3.127 -2.640 836 HB2 MET 101 HB3 MET 101 4.138 4.446 -0.519 837 HB3 MET 101 HB2 MET 101 3.230 5.743 -1.298 838 HG2 MET 101 HG3 MET 101 1.297 4.697 -0.830 839 HG3 MET 101 HG2 MET 101 1.837 3.271 -1.716 840 HE1 MET 101 HE1 MET 101 0.883 1.447 -0.449 841 HE2 MET 101 HE2 MET 101 -0.072 2.630 0.443 842 HE3 MET 101 HE3 MET 101 0.761 1.343 1.313 843 H TYR 102 H TYR 102 2.649 2.800 -4.375 844 HA TYR 102 HA TYR 102 0.990 5.063 -5.356 845 HB2 TYR 102 HB3 TYR 102 1.735 4.661 -7.661 846 HB3 TYR 102 HB2 TYR 102 3.123 5.031 -6.641 847 HD1 TYR 102 HD1 TYR 102 1.334 2.389 -8.484 848 HD2 TYR 102 HD2 TYR 102 4.748 3.308 -6.042 849 HE1 TYR 102 HE1 TYR 102 2.367 0.224 -9.113 850 HE2 TYR 102 HE2 TYR 102 5.779 1.143 -6.671 851 HH TYR 102 HH TYR 102 4.292 -1.351 -7.768 852 H VAL 103 H VAL 103 -0.909 4.337 -6.483 853 HA VAL 103 HA VAL 103 -1.464 1.399 -6.202 854 HB VAL 103 HB VAL 103 -2.658 2.948 -4.644 855 HG11 VAL 103 HG11 VAL 103 -3.889 4.037 -7.193 856 HG12 VAL 103 HG12 VAL 103 -2.693 4.887 -6.215 857 HG13 VAL 103 HG13 VAL 103 -4.285 4.531 -5.547 858 HG21 VAL 103 HG21 VAL 103 -4.625 1.760 -4.799 859 HG22 VAL 103 HG22 VAL 103 -3.671 0.817 -5.943 860 HG23 VAL 103 HG23 VAL 103 -4.784 2.051 -6.531 861 H ASP 104 H ASP 104 -2.591 0.409 -7.951 862 HA ASP 104 HA ASP 104 -2.689 2.047 -10.460 863 HB2 ASP 104 HB3 ASP 104 -1.171 -0.067 -10.023 864 HB3 ASP 104 HB2 ASP 104 -2.660 -0.955 -10.346 865 H VAL 105 H VAL 105 -4.718 2.453 -11.227 866 HA VAL 105 HA VAL 105 -6.974 0.729 -10.275 867 HB VAL 105 HB VAL 105 -6.846 3.564 -11.356 868 HG11 VAL 105 HG11 VAL 105 -9.257 2.536 -9.960 869 HG12 VAL 105 HG12 VAL 105 -8.988 1.920 -11.590 870 HG13 VAL 105 HG13 VAL 105 -9.135 3.656 -11.316 871 HG21 VAL 105 HG21 VAL 105 -7.701 3.953 -8.919 872 HG22 VAL 105 HG22 VAL 105 -5.983 3.638 -9.169 873 HG23 VAL 105 HG23 VAL 105 -7.044 2.346 -8.607 874 HA PRO 106 HA PRO 106 -7.064 -0.942 -14.396 875 HB2 PRO 106 HB3 PRO 106 -9.897 -1.515 -13.707 876 HB3 PRO 106 HB2 PRO 106 -8.616 -2.628 -14.225 877 HG2 PRO 106 HG3 PRO 106 -9.497 -2.528 -11.691 878 HG3 PRO 106 HG2 PRO 106 -7.821 -2.917 -12.106 879 HD2 PRO 106 HD3 PRO 106 -8.948 -0.427 -10.956 880 HD3 PRO 106 HD2 PRO 106 -7.335 -1.145 -10.753 881 H GLY 107 H GLY 107 -7.415 0.273 -16.213 882 HA2 GLY 107 HA3 GLY 107 -8.680 1.538 -17.780 883 HA3 GLY 107 HA2 GLY 107 -9.966 1.682 -16.584 884 H GLU 108 H GLU 108 -7.755 2.576 -14.600 885 HA GLU 108 HA GLU 108 -7.621 5.404 -15.596 886 HB2 GLU 108 HB3 GLU 108 -8.704 4.162 -13.230 887 HB3 GLU 108 HB2 GLU 108 -7.424 5.286 -12.770 888 HG2 GLU 108 HG3 GLU 108 -8.662 7.090 -13.340 889 HG3 GLU 108 HG2 GLU 108 -9.166 6.358 -14.864 890 H LYS 109 H LYS 109 -5.793 6.655 -14.475 891 HA LYS 109 HA LYS 109 -3.283 5.172 -14.793 892 HB2 LYS 109 HB3 LYS 109 -3.905 8.016 -13.927 893 HB3 LYS 109 HB2 LYS 109 -2.324 7.421 -14.433 894 HG2 LYS 109 HG3 LYS 109 -4.543 6.894 -16.323 895 HG3 LYS 109 HG2 LYS 109 -4.096 8.590 -16.131 896 HD2 LYS 109 HD3 LYS 109 -1.653 7.753 -16.413 897 HD3 LYS 109 HD2 LYS 109 -2.389 6.294 -17.075 898 HE2 LYS 109 HE3 LYS 109 -1.952 7.761 -18.945 899 HE3 LYS 109 HE2 LYS 109 -3.701 7.835 -18.651 900 HZ1 LYS 109 HZ1 LYS 109 -3.461 9.816 -17.413 901 HZ2 LYS 109 HZ2 LYS 109 -2.549 10.049 -18.826 902 HZ3 LYS 109 HZ3 LYS 109 -1.771 9.682 -17.361 903 H ARG 110 H ARG 110 -1.746 4.816 -13.105 904 HA ARG 110 HA ARG 110 -2.835 4.256 -10.485 905 HB2 ARG 110 HB3 ARG 110 -0.533 3.559 -10.038 906 HB3 ARG 110 HB2 ARG 110 -0.986 3.037 -11.660 907 HG2 ARG 110 HG3 ARG 110 0.010 5.400 -12.340 908 HG3 ARG 110 HG2 ARG 110 0.896 5.212 -10.825 909 HD2 ARG 110 HD3 ARG 110 2.265 4.255 -12.585 910 HD3 ARG 110 HD2 ARG 110 1.591 2.898 -11.658 911 HE ARG 110 HE ARG 110 -0.175 3.703 -13.812 912 HH11 ARG 110 HH11 ARG 110 2.663 1.920 -12.976 913 HH12 ARG 110 HH12 ARG 110 2.522 0.824 -14.309 914 HH21 ARG 110 HH21 ARG 110 -0.359 2.287 -15.560 915 HH22 ARG 110 HH22 ARG 110 0.815 1.031 -15.769 916 H TYR 111 H TYR 111 -2.558 5.432 -8.564 917 HA TYR 111 HA TYR 111 -1.497 8.218 -8.885 918 HB2 TYR 111 HB3 TYR 111 -3.898 7.987 -8.380 919 HB3 TYR 111 HB2 TYR 111 -3.515 7.006 -6.965 920 HD1 TYR 111 HD1 TYR 111 -2.007 8.059 -5.154 921 HD2 TYR 111 HD2 TYR 111 -3.978 10.336 -8.216 922 HE1 TYR 111 HE1 TYR 111 -1.736 10.118 -3.798 923 HE2 TYR 111 HE2 TYR 111 -3.707 12.395 -6.860 924 HH TYR 111 HH TYR 111 -2.086 12.300 -3.683 925 H TYR 112 H TYR 112 0.246 8.798 -7.625 926 HA TYR 112 HA TYR 112 1.474 6.776 -5.879 927 HB2 TYR 112 HB3 TYR 112 3.356 8.219 -5.985 928 HB3 TYR 112 HB2 TYR 112 2.586 8.393 -7.560 929 HD1 TYR 112 HD1 TYR 112 3.141 9.984 -4.272 930 HD2 TYR 112 HD2 TYR 112 1.461 10.447 -8.198 931 HE1 TYR 112 HE1 TYR 112 2.886 12.418 -3.875 932 HE2 TYR 112 HE2 TYR 112 1.204 12.882 -7.800 933 HH TYR 112 HH TYR 112 2.679 14.474 -5.148 934 H LEU 113 H LEU 113 1.232 6.724 -3.675 935 HA LEU 113 HA LEU 113 -0.408 8.801 -2.361 936 HB2 LEU 113 HB3 LEU 113 -0.194 6.088 -2.167 937 HB3 LEU 113 HB2 LEU 113 0.824 6.590 -0.816 938 HG LEU 113 HG LEU 113 -1.354 8.264 -0.565 939 HD11 LEU 113 HD11 LEU 113 -2.421 5.510 -1.235 940 HD12 LEU 113 HD12 LEU 113 -2.462 6.860 -2.369 941 HD13 LEU 113 HD13 LEU 113 -3.352 6.957 -0.850 942 HD21 LEU 113 HD21 LEU 113 -1.435 5.574 0.750 943 HD22 LEU 113 HD22 LEU 113 -1.638 7.174 1.463 944 HD23 LEU 113 HD23 LEU 113 -0.027 6.597 1.034 945 H ILE 114 H ILE 114 2.943 7.630 -2.340 946 HA ILE 114 HA ILE 114 3.628 9.775 -0.359 947 HB ILE 114 HB ILE 114 4.944 7.157 -1.147 948 HG12 ILE 114 HG13 ILE 114 3.872 8.113 1.525 949 HG13 ILE 114 HG12 ILE 114 2.941 7.125 0.398 950 HG21 ILE 114 HG21 ILE 114 6.771 7.671 0.244 951 HG22 ILE 114 HG22 ILE 114 5.910 8.985 1.045 952 HG23 ILE 114 HG23 ILE 114 6.488 9.188 -0.609 953 HD11 ILE 114 HD11 ILE 114 4.907 6.273 2.304 954 HD12 ILE 114 HD12 ILE 114 5.495 5.901 0.683 955 HD13 ILE 114 HD13 ILE 114 3.933 5.281 1.218 956 H LYS 115 H LYS 115 4.980 8.113 -3.241 957 HA LYS 115 HA LYS 115 7.107 9.750 -3.890 958 HB2 LYS 115 HB3 LYS 115 5.978 7.717 -5.081 959 HB3 LYS 115 HB2 LYS 115 5.082 8.947 -5.974 960 HG2 LYS 115 HG3 LYS 115 6.880 9.480 -7.234 961 HG3 LYS 115 HG2 LYS 115 7.938 9.547 -5.824 962 HD2 LYS 115 HD3 LYS 115 8.872 7.644 -6.610 963 HD3 LYS 115 HD2 LYS 115 7.394 6.838 -6.083 964 HE2 LYS 115 HE3 LYS 115 6.908 8.107 -8.627 965 HE3 LYS 115 HE2 LYS 115 8.346 7.072 -8.744 966 HZ1 LYS 115 HZ1 LYS 115 7.033 5.368 -7.482 967 HZ2 LYS 115 HZ2 LYS 115 6.485 5.665 -9.063 968 HZ3 LYS 115 HZ3 LYS 115 5.657 6.327 -7.736 Start of MODEL 18 1 H1 GLY 1 H GLY 1 3.370 -13.340 13.630 2 HA2 GLY 1 HA3 GLY 1 5.736 -11.600 14.157 3 HA3 GLY 1 HA2 GLY 1 5.435 -12.195 12.524 4 H SER 2 H SER 2 5.468 -9.543 12.640 5 HA SER 2 HA SER 2 2.596 -8.695 12.835 6 HB2 SER 2 HB3 SER 2 4.784 -6.693 12.778 7 HB3 SER 2 HB2 SER 2 3.346 -6.756 13.795 8 HG SER 2 HG SER 2 5.766 -7.381 14.488 9 H ASP 3 H ASP 3 4.330 -9.879 10.532 10 HA ASP 3 HA ASP 3 4.837 -7.917 8.551 11 HB2 ASP 3 HB3 ASP 3 4.835 -9.807 7.061 12 HB3 ASP 3 HB2 ASP 3 5.401 -10.404 8.621 13 H THR 4 H THR 4 1.825 -9.633 9.368 14 HA THR 4 HA THR 4 0.257 -8.572 7.191 15 HB THR 4 HB THR 4 -0.370 -9.731 9.923 16 HG1 THR 4 HG1 THR 4 0.571 -11.111 8.371 17 HG21 THR 4 HG21 THR 4 -2.216 -8.925 7.666 18 HG22 THR 4 HG22 THR 4 -2.281 -8.405 9.350 19 HG23 THR 4 HG23 THR 4 -2.682 -10.068 8.926 20 H GLN 5 H GLN 5 0.981 -7.459 10.478 21 HA GLN 5 HA GLN 5 -0.972 -5.345 10.585 22 HB2 GLN 5 HB3 GLN 5 1.627 -6.011 11.967 23 HB3 GLN 5 HB2 GLN 5 0.763 -4.522 12.346 24 HG2 GLN 5 HG3 GLN 5 -1.301 -6.219 12.517 25 HG3 GLN 5 HG2 GLN 5 -0.004 -7.351 12.899 26 HE21 GLN 5 HE21 GLN 5 0.515 -7.421 15.088 27 HE22 GLN 5 HE22 GLN 5 0.287 -6.148 16.188 28 H LEU 6 H LEU 6 2.395 -5.501 9.446 29 HA LEU 6 HA LEU 6 2.915 -2.747 9.066 30 HB2 LEU 6 HB3 LEU 6 3.944 -5.329 8.277 31 HB3 LEU 6 HB2 LEU 6 4.039 -4.212 6.915 32 HG LEU 6 HG LEU 6 4.850 -2.698 9.126 33 HD11 LEU 6 HD11 LEU 6 6.789 -4.184 9.918 34 HD12 LEU 6 HD12 LEU 6 5.888 -5.536 9.234 35 HD13 LEU 6 HD13 LEU 6 5.188 -4.583 10.543 36 HD21 LEU 6 HD21 LEU 6 6.883 -2.516 7.929 37 HD22 LEU 6 HD22 LEU 6 5.693 -2.881 6.679 38 HD23 LEU 6 HD23 LEU 6 6.752 -4.154 7.287 39 H PHE 7 H PHE 7 1.303 -5.075 6.893 40 HA PHE 7 HA PHE 7 0.870 -3.111 4.787 41 HB2 PHE 7 HB3 PHE 7 0.559 -5.060 3.681 42 HB3 PHE 7 HB2 PHE 7 0.761 -5.918 5.204 43 HD1 PHE 7 HD1 PHE 7 -0.954 -7.352 5.832 44 HD2 PHE 7 HD2 PHE 7 -1.888 -3.913 3.434 45 HE1 PHE 7 HE1 PHE 7 -3.329 -8.058 5.746 46 HE2 PHE 7 HE2 PHE 7 -4.264 -4.617 3.349 47 HZ PHE 7 HZ PHE 7 -4.985 -6.690 4.505 48 H ASN 8 H ASN 8 -0.996 -4.350 7.525 49 HA ASN 8 HA ASN 8 -3.579 -3.407 6.853 50 HB2 ASN 8 HB3 ASN 8 -2.056 -3.768 9.439 51 HB3 ASN 8 HB2 ASN 8 -3.756 -3.298 9.422 52 HD21 ASN 8 HD21 ASN 8 -3.054 -5.783 10.555 53 HD22 ASN 8 HD22 ASN 8 -3.597 -7.035 9.547 54 H ARG 9 H ARG 9 -1.012 -1.710 8.710 55 HA ARG 9 HA ARG 9 -2.499 0.740 8.990 56 HB2 ARG 9 HB3 ARG 9 -0.288 1.608 9.697 57 HB3 ARG 9 HB2 ARG 9 -0.626 0.041 10.429 58 HG2 ARG 9 HG3 ARG 9 0.814 -1.092 8.891 59 HG3 ARG 9 HG2 ARG 9 0.953 0.336 7.867 60 HD2 ARG 9 HD3 ARG 9 1.838 0.435 10.752 61 HD3 ARG 9 HD2 ARG 9 2.926 -0.157 9.482 62 HE ARG 9 HE ARG 9 1.719 2.264 8.579 63 HH11 ARG 9 HH11 ARG 9 3.947 1.059 10.927 64 HH12 ARG 9 HH12 ARG 9 4.874 2.521 10.985 65 HH21 ARG 9 HH21 ARG 9 2.919 4.174 8.649 66 HH22 ARG 9 HH22 ARG 9 4.293 4.281 9.697 67 H ALA 10 H ALA 10 -0.254 -0.454 6.522 68 HA ALA 10 HA ALA 10 0.107 2.063 5.154 69 HB1 ALA 10 HB1 ALA 10 1.491 -0.078 5.045 70 HB2 ALA 10 HB2 ALA 10 1.139 0.670 3.486 71 HB3 ALA 10 HB3 ALA 10 0.222 -0.741 4.014 72 H VAL 11 H VAL 11 -2.149 -0.666 4.678 73 HA VAL 11 HA VAL 11 -3.428 0.513 2.358 74 HB VAL 11 HB VAL 11 -3.299 -1.944 3.643 75 HG11 VAL 11 HG11 VAL 11 -5.396 -2.579 4.465 76 HG12 VAL 11 HG12 VAL 11 -6.223 -1.238 3.671 77 HG13 VAL 11 HG13 VAL 11 -5.235 -0.941 5.101 78 HG21 VAL 11 HG21 VAL 11 -4.308 -2.726 1.711 79 HG22 VAL 11 HG22 VAL 11 -3.832 -1.112 1.186 80 HG23 VAL 11 HG23 VAL 11 -5.497 -1.424 1.678 81 H SER 12 H SER 12 -3.967 0.659 5.843 82 HA SER 12 HA SER 12 -6.601 1.649 5.967 83 HB2 SER 12 HB3 SER 12 -4.250 1.451 7.603 84 HB3 SER 12 HB2 SER 12 -4.957 3.047 7.832 85 HG SER 12 HG SER 12 -5.921 0.544 8.497 86 H MET 13 H MET 13 -3.568 3.505 5.602 87 HA MET 13 HA MET 13 -4.899 6.063 5.307 88 HB2 MET 13 HB3 MET 13 -2.593 6.742 4.588 89 HB3 MET 13 HB2 MET 13 -2.595 5.824 6.094 90 HG2 MET 13 HG3 MET 13 -1.821 3.856 5.031 91 HG3 MET 13 HG2 MET 13 -2.236 4.459 3.427 92 HE1 MET 13 HE1 MET 13 0.572 6.263 2.119 93 HE2 MET 13 HE2 MET 13 -1.149 5.892 2.080 94 HE3 MET 13 HE3 MET 13 0.028 4.584 1.996 95 H VAL 14 H VAL 14 -3.876 3.513 3.112 96 HA VAL 14 HA VAL 14 -4.115 5.038 0.661 97 HB VAL 14 HB VAL 14 -3.982 2.130 1.459 98 HG11 VAL 14 HG11 VAL 14 -3.591 1.853 -1.125 99 HG12 VAL 14 HG12 VAL 14 -4.550 3.328 -1.240 100 HG13 VAL 14 HG13 VAL 14 -5.239 1.885 -0.499 101 HG21 VAL 14 HG21 VAL 14 -1.893 3.294 1.621 102 HG22 VAL 14 HG22 VAL 14 -2.148 4.098 0.071 103 HG23 VAL 14 HG23 VAL 14 -1.824 2.366 0.123 104 H GLU 15 H GLU 15 -6.323 2.868 2.442 105 HA GLU 15 HA GLU 15 -8.415 3.057 0.406 106 HB2 GLU 15 HB3 GLU 15 -9.621 1.639 1.951 107 HB3 GLU 15 HB2 GLU 15 -7.936 1.114 1.950 108 HG2 GLU 15 HG3 GLU 15 -8.193 1.271 4.219 109 HG3 GLU 15 HG2 GLU 15 -7.826 2.968 3.911 110 H LYS 16 H LYS 16 -7.495 4.900 3.219 111 HA LYS 16 HA LYS 16 -10.171 6.186 3.395 112 HB2 LYS 16 HB3 LYS 16 -9.337 7.047 5.473 113 HB3 LYS 16 HB2 LYS 16 -8.774 5.379 5.372 114 HG2 LYS 16 HG3 LYS 16 -6.706 6.211 5.747 115 HG3 LYS 16 HG2 LYS 16 -6.769 6.799 4.085 116 HD2 LYS 16 HD3 LYS 16 -6.357 8.799 5.153 117 HD3 LYS 16 HD2 LYS 16 -8.119 8.795 5.249 118 HE2 LYS 16 HE3 LYS 16 -7.423 7.327 7.483 119 HE3 LYS 16 HE2 LYS 16 -6.141 8.552 7.413 120 HZ1 LYS 16 HZ1 LYS 16 -9.071 9.029 7.310 121 HZ2 LYS 16 HZ2 LYS 16 -7.902 10.227 7.016 122 HZ3 LYS 16 HZ3 LYS 16 -8.009 9.498 8.546 123 H ASN 17 H ASN 17 -7.081 6.697 1.961 124 HA ASN 17 HA ASN 17 -6.656 9.445 1.973 125 HB2 ASN 17 HB3 ASN 17 -5.686 7.275 0.652 126 HB3 ASN 17 HB2 ASN 17 -6.521 8.096 -0.667 127 HD21 ASN 17 HD21 ASN 17 -5.684 10.148 -1.385 128 HD22 ASN 17 HD22 ASN 17 -4.206 10.770 -0.829 129 H LYS 18 H LYS 18 -7.968 11.150 1.440 130 HA LYS 18 HA LYS 18 -10.570 10.830 0.254 131 HB2 LYS 18 HB3 LYS 18 -8.898 13.354 0.360 132 HB3 LYS 18 HB2 LYS 18 -10.653 13.220 0.447 133 HG2 LYS 18 HG3 LYS 18 -8.615 12.477 2.548 134 HG3 LYS 18 HG2 LYS 18 -9.980 13.582 2.690 135 HD2 LYS 18 HD3 LYS 18 -11.140 11.155 1.938 136 HD3 LYS 18 HD2 LYS 18 -9.896 10.701 3.101 137 HE2 LYS 18 HE3 LYS 18 -12.068 12.785 3.544 138 HE3 LYS 18 HE2 LYS 18 -11.986 11.181 4.299 139 HZ1 LYS 18 HZ1 LYS 18 -10.076 13.429 4.602 140 HZ2 LYS 18 HZ2 LYS 18 -9.698 11.838 5.061 141 HZ3 LYS 18 HZ3 LYS 18 -10.978 12.661 5.817 142 H ASP 19 H ASP 19 -7.407 11.715 -1.075 143 HA ASP 19 HA ASP 19 -8.339 12.533 -3.674 144 HB2 ASP 19 HB3 ASP 19 -5.695 11.286 -2.854 145 HB3 ASP 19 HB2 ASP 19 -5.976 12.318 -4.255 146 H ILE 20 H ILE 20 -7.119 9.407 -2.436 147 HA ILE 20 HA ILE 20 -7.380 7.986 -4.925 148 HB ILE 20 HB ILE 20 -7.456 7.028 -2.043 149 HG12 ILE 20 HG13 ILE 20 -5.475 8.418 -2.561 150 HG13 ILE 20 HG12 ILE 20 -5.022 6.728 -2.334 151 HG21 ILE 20 HG21 ILE 20 -6.479 5.516 -4.468 152 HG22 ILE 20 HG22 ILE 20 -8.160 5.432 -3.943 153 HG23 ILE 20 HG23 ILE 20 -6.873 4.882 -2.870 154 HD11 ILE 20 HD11 ILE 20 -5.317 8.233 -4.940 155 HD12 ILE 20 HD12 ILE 20 -5.241 6.473 -4.867 156 HD13 ILE 20 HD13 ILE 20 -3.877 7.438 -4.305 157 H ARG 21 H ARG 21 -9.618 8.642 -2.256 158 HA ARG 21 HA ARG 21 -11.636 6.745 -2.861 159 HB2 ARG 21 HB3 ARG 21 -12.827 7.941 -1.279 160 HB3 ARG 21 HB2 ARG 21 -11.227 8.604 -0.971 161 HG2 ARG 21 HG3 ARG 21 -12.458 10.559 -1.168 162 HG3 ARG 21 HG2 ARG 21 -11.947 10.345 -2.839 163 HD2 ARG 21 HD3 ARG 21 -14.080 9.321 -3.423 164 HD3 ARG 21 HD2 ARG 21 -14.589 9.340 -1.724 165 HE ARG 21 HE ARG 21 -14.507 11.659 -3.507 166 HH11 ARG 21 HH11 ARG 21 -14.367 10.474 -0.265 167 HH12 ARG 21 HH12 ARG 21 -14.908 11.961 0.436 168 HH21 ARG 21 HH21 ARG 21 -15.209 13.600 -2.602 169 HH22 ARG 21 HH22 ARG 21 -15.385 13.727 -0.883 170 H SER 22 H SER 22 -10.885 9.863 -4.340 171 HA SER 22 HA SER 22 -13.283 10.171 -5.886 172 HB2 SER 22 HB3 SER 22 -12.174 12.077 -6.420 173 HB3 SER 22 HB2 SER 22 -10.857 11.499 -5.404 174 HG SER 22 HG SER 22 -9.747 11.296 -7.166 175 H LEU 23 H LEU 23 -10.173 8.577 -6.567 176 HA LEU 23 HA LEU 23 -10.861 7.830 -9.293 177 HB2 LEU 23 HB3 LEU 23 -8.835 6.604 -7.393 178 HB3 LEU 23 HB2 LEU 23 -8.778 6.593 -9.154 179 HG LEU 23 HG LEU 23 -8.683 9.103 -7.456 180 HD11 LEU 23 HD11 LEU 23 -6.678 7.203 -7.783 181 HD12 LEU 23 HD12 LEU 23 -6.439 8.888 -7.321 182 HD13 LEU 23 HD13 LEU 23 -6.310 8.411 -9.014 183 HD21 LEU 23 HD21 LEU 23 -8.421 10.283 -9.451 184 HD22 LEU 23 HD22 LEU 23 -9.549 9.023 -9.951 185 HD23 LEU 23 HD23 LEU 23 -7.834 8.870 -10.327 186 H LEU 24 H LEU 24 -11.022 6.281 -6.115 187 HA LEU 24 HA LEU 24 -11.971 3.727 -7.189 188 HB2 LEU 24 HB3 LEU 24 -10.499 4.292 -5.117 189 HB3 LEU 24 HB2 LEU 24 -12.027 4.675 -4.327 190 HG LEU 24 HG LEU 24 -12.872 2.437 -4.868 191 HD11 LEU 24 HD11 LEU 24 -10.489 2.426 -6.549 192 HD12 LEU 24 HD12 LEU 24 -11.912 1.389 -6.625 193 HD13 LEU 24 HD13 LEU 24 -10.585 0.985 -5.537 194 HD21 LEU 24 HD21 LEU 24 -11.970 1.705 -2.929 195 HD22 LEU 24 HD22 LEU 24 -10.890 3.098 -2.988 196 HD23 LEU 24 HD23 LEU 24 -10.377 1.556 -3.670 197 H GLN 25 H GLN 25 -13.420 6.702 -6.737 198 HA GLN 25 HA GLN 25 -15.669 7.391 -6.473 199 HB2 GLN 25 HB3 GLN 25 -16.066 4.554 -7.482 200 HB3 GLN 25 HB2 GLN 25 -17.229 5.875 -7.614 201 HG2 GLN 25 HG3 GLN 25 -15.435 7.159 -8.892 202 HG3 GLN 25 HG2 GLN 25 -14.530 5.645 -8.962 203 HE21 GLN 25 HE21 GLN 25 -15.320 3.961 -10.364 204 HE22 GLN 25 HE22 GLN 25 -16.609 4.205 -11.441 205 H CYS 26 H CYS 26 -14.335 6.045 -4.158 206 HA CYS 26 HA CYS 26 -16.292 4.311 -2.880 207 HB2 CYS 26 HB3 CYS 26 -13.760 5.758 -2.135 208 HB3 CYS 26 HB2 CYS 26 -14.717 4.961 -0.886 209 HG CYS 26 HG CYS 26 -14.493 2.761 -2.546 210 H ASP 27 H ASP 27 -17.022 5.046 -0.557 211 HA ASP 27 HA ASP 27 -18.047 7.864 -0.696 212 HB2 ASP 27 HB3 ASP 27 -19.382 5.297 -0.624 213 HB3 ASP 27 HB2 ASP 27 -19.818 6.241 0.801 214 H ASP 28 H ASP 28 -18.689 8.660 1.557 215 HA ASP 28 HA ASP 28 -17.740 7.367 3.940 216 HB2 ASP 28 HB3 ASP 28 -15.799 8.640 2.224 217 HB3 ASP 28 HB2 ASP 28 -15.861 9.479 3.774 218 H GLY 29 H GLY 29 -19.762 8.270 4.681 219 HA2 GLY 29 HA3 GLY 29 -19.552 11.149 5.397 220 HA3 GLY 29 HA2 GLY 29 -21.024 10.578 4.611 221 H ILE 30 H ILE 30 -21.093 11.699 7.190 222 HA ILE 30 HA ILE 30 -20.941 9.836 9.343 223 HB ILE 30 HB ILE 30 -21.161 12.300 9.523 224 HG12 ILE 30 HG13 ILE 30 -23.293 12.151 11.141 225 HG13 ILE 30 HG12 ILE 30 -23.047 10.424 10.882 226 HG21 ILE 30 HG21 ILE 30 -23.198 13.428 8.990 227 HG22 ILE 30 HG22 ILE 30 -24.068 11.908 8.781 228 HG23 ILE 30 HG23 ILE 30 -22.850 12.397 7.602 229 HD11 ILE 30 HD11 ILE 30 -21.733 11.872 12.783 230 HD12 ILE 30 HD12 ILE 30 -20.586 11.963 11.447 231 HD13 ILE 30 HD13 ILE 30 -21.099 10.393 12.064 232 H THR 31 H THR 31 -23.188 10.090 6.724 233 HA THR 31 HA THR 31 -25.267 8.522 8.148 234 HB THR 31 HB THR 31 -25.148 10.513 6.114 235 HG1 THR 31 HG1 THR 31 -26.723 9.809 7.903 236 HG21 THR 31 HG21 THR 31 -26.308 7.888 5.138 237 HG22 THR 31 HG22 THR 31 -25.012 8.819 4.388 238 HG23 THR 31 HG23 THR 31 -26.657 9.452 4.403 239 H GLY 32 H GLY 32 -22.602 8.065 5.997 240 HA2 GLY 32 HA3 GLY 32 -22.969 5.192 5.998 241 HA3 GLY 32 HA2 GLY 32 -23.309 5.891 4.414 242 H LYS 33 H LYS 33 -20.960 4.281 5.778 243 HA LYS 33 HA LYS 33 -18.802 5.954 4.535 244 HB2 LYS 33 HB3 LYS 33 -18.843 4.340 7.101 245 HB3 LYS 33 HB2 LYS 33 -17.358 4.962 6.381 246 HG2 LYS 33 HG3 LYS 33 -17.734 6.941 7.379 247 HG3 LYS 33 HG2 LYS 33 -19.209 7.112 6.428 248 HD2 LYS 33 HD3 LYS 33 -18.979 5.685 9.095 249 HD3 LYS 33 HD2 LYS 33 -19.713 7.268 8.832 250 HE2 LYS 33 HE3 LYS 33 -21.416 6.263 7.366 251 HE3 LYS 33 HE2 LYS 33 -20.673 4.667 7.583 252 HZ1 LYS 33 HZ1 LYS 33 -22.052 6.351 9.568 253 HZ2 LYS 33 HZ2 LYS 33 -20.869 5.243 10.078 254 HZ3 LYS 33 HZ3 LYS 33 -22.250 4.697 9.251 255 H GLU 34 H GLU 34 -17.659 4.848 2.983 256 HA GLU 34 HA GLU 34 -18.323 2.065 2.389 257 HB2 GLU 34 HB3 GLU 34 -17.932 3.792 0.668 258 HB3 GLU 34 HB2 GLU 34 -16.275 3.990 1.242 259 HG2 GLU 34 HG3 GLU 34 -15.651 2.332 -0.145 260 HG3 GLU 34 HG2 GLU 34 -16.623 1.219 0.819 261 H ARG 35 H ARG 35 -16.991 0.269 2.678 262 HA ARG 35 HA ARG 35 -14.466 0.699 4.242 263 HB2 ARG 35 HB3 ARG 35 -16.618 -0.355 5.291 264 HB3 ARG 35 HB2 ARG 35 -16.191 -1.775 4.335 265 HG2 ARG 35 HG3 ARG 35 -13.965 -0.562 5.870 266 HG3 ARG 35 HG2 ARG 35 -15.235 -1.312 6.839 267 HD2 ARG 35 HD3 ARG 35 -15.014 -3.373 5.373 268 HD3 ARG 35 HD2 ARG 35 -13.571 -2.620 4.663 269 HE ARG 35 HE ARG 35 -13.230 -2.397 7.432 270 HH11 ARG 35 HH11 ARG 35 -13.708 -4.903 5.102 271 HH12 ARG 35 HH12 ARG 35 -12.818 -6.085 6.001 272 HH21 ARG 35 HH21 ARG 35 -12.074 -3.933 8.615 273 HH22 ARG 35 HH22 ARG 35 -11.894 -5.537 7.987 274 H LEU 36 H LEU 36 -12.689 0.029 3.113 275 HA LEU 36 HA LEU 36 -13.081 -1.881 0.848 276 HB2 LEU 36 HB3 LEU 36 -10.832 0.049 1.489 277 HB3 LEU 36 HB2 LEU 36 -11.034 -0.854 -0.015 278 HG LEU 36 HG LEU 36 -13.219 0.953 0.994 279 HD11 LEU 36 HD11 LEU 36 -11.699 2.215 -1.068 280 HD12 LEU 36 HD12 LEU 36 -10.597 1.772 0.236 281 HD13 LEU 36 HD13 LEU 36 -12.000 2.787 0.573 282 HD21 LEU 36 HD21 LEU 36 -12.362 -0.047 -1.740 283 HD22 LEU 36 HD22 LEU 36 -13.715 1.045 -1.449 284 HD23 LEU 36 HD23 LEU 36 -13.760 -0.602 -0.820 285 H LYS 37 H LYS 37 -11.759 -3.719 0.697 286 HA LYS 37 HA LYS 37 -10.111 -4.342 3.126 287 HB2 LYS 37 HB3 LYS 37 -10.839 -6.750 2.478 288 HB3 LYS 37 HB2 LYS 37 -12.051 -5.700 3.211 289 HG2 LYS 37 HG3 LYS 37 -11.825 -5.551 0.255 290 HG3 LYS 37 HG2 LYS 37 -12.478 -7.055 0.905 291 HD2 LYS 37 HD3 LYS 37 -13.934 -5.435 2.390 292 HD3 LYS 37 HD2 LYS 37 -13.574 -4.271 1.115 293 HE2 LYS 37 HE3 LYS 37 -15.008 -5.279 -0.332 294 HE3 LYS 37 HE2 LYS 37 -14.375 -6.892 0.057 295 HZ1 LYS 37 HZ1 LYS 37 -16.268 -5.290 1.697 296 HZ2 LYS 37 HZ2 LYS 37 -15.569 -6.757 2.193 297 HZ3 LYS 37 HZ3 LYS 37 -16.624 -6.722 0.861 298 H ALA 38 H ALA 38 -8.079 -5.196 2.736 299 HA ALA 38 HA ALA 38 -7.326 -5.737 -0.116 300 HB1 ALA 38 HB1 ALA 38 -5.100 -4.662 0.630 301 HB2 ALA 38 HB2 ALA 38 -5.992 -4.084 2.037 302 HB3 ALA 38 HB3 ALA 38 -6.473 -3.576 0.418 303 H TYR 39 H TYR 39 -5.332 -7.124 -0.258 304 HA TYR 39 HA TYR 39 -4.574 -8.639 2.159 305 HB2 TYR 39 HB3 TYR 39 -5.241 -10.791 0.849 306 HB3 TYR 39 HB2 TYR 39 -6.523 -9.868 1.631 307 HD1 TYR 39 HD1 TYR 39 -8.136 -8.599 0.342 308 HD2 TYR 39 HD2 TYR 39 -4.919 -10.683 -1.597 309 HE1 TYR 39 HE1 TYR 39 -9.250 -8.278 -1.850 310 HE2 TYR 39 HE2 TYR 39 -6.034 -10.362 -3.790 311 HH TYR 39 HH TYR 39 -9.256 -9.366 -4.085 312 H GLY 40 H GLY 40 -2.828 -10.257 1.598 313 HA2 GLY 40 HA3 GLY 40 -0.790 -9.104 0.006 314 HA3 GLY 40 HA2 GLY 40 -0.802 -10.784 0.539 315 H GLU 41 H GLU 41 0.130 -11.271 -1.604 316 HA GLU 41 HA GLU 41 -1.808 -11.058 -3.868 317 HB2 GLU 41 HB3 GLU 41 1.111 -11.868 -3.857 318 HB3 GLU 41 HB2 GLU 41 0.154 -11.359 -5.249 319 HG2 GLU 41 HG3 GLU 41 -0.101 -9.118 -4.283 320 HG3 GLU 41 HG2 GLU 41 0.803 -9.618 -2.853 321 H LEU 42 H LEU 42 -1.337 -13.149 -1.475 322 HA LEU 42 HA LEU 42 -0.990 -15.656 -2.967 323 HB2 LEU 42 HB3 LEU 42 -0.700 -14.729 -0.340 324 HB3 LEU 42 HB2 LEU 42 -2.069 -15.840 -0.264 325 HG LEU 42 HG LEU 42 -0.129 -17.063 -1.929 326 HD11 LEU 42 HD11 LEU 42 1.541 -17.143 0.241 327 HD12 LEU 42 HD12 LEU 42 1.026 -15.457 0.263 328 HD13 LEU 42 HD13 LEU 42 1.802 -16.123 -1.174 329 HD21 LEU 42 HD21 LEU 42 -1.816 -17.692 0.202 330 HD22 LEU 42 HD22 LEU 42 -0.202 -18.015 0.833 331 HD23 LEU 42 HD23 LEU 42 -0.750 -18.816 -0.640 332 H ILE 43 H ILE 43 -3.078 -14.503 -4.222 333 HA ILE 43 HA ILE 43 -5.476 -15.943 -3.135 334 HB ILE 43 HB ILE 43 -6.785 -14.011 -4.029 335 HG12 ILE 43 HG13 ILE 43 -4.721 -12.073 -4.239 336 HG13 ILE 43 HG12 ILE 43 -4.237 -13.438 -5.246 337 HG21 ILE 43 HG21 ILE 43 -4.763 -12.677 -2.322 338 HG22 ILE 43 HG22 ILE 43 -5.428 -14.178 -1.678 339 HG23 ILE 43 HG23 ILE 43 -6.503 -12.841 -2.087 340 HD11 ILE 43 HD11 ILE 43 -6.922 -12.034 -5.359 341 HD12 ILE 43 HD12 ILE 43 -6.435 -13.398 -6.364 342 HD13 ILE 43 HD13 ILE 43 -5.616 -11.845 -6.530 343 H THR 44 H THR 44 -7.177 -16.071 -5.056 344 HA THR 44 HA THR 44 -5.808 -16.525 -7.667 345 HB THR 44 HB THR 44 -5.725 -18.625 -6.407 346 HG1 THR 44 HG1 THR 44 -7.410 -19.742 -7.867 347 HG21 THR 44 HG21 THR 44 -8.669 -18.939 -6.357 348 HG22 THR 44 HG22 THR 44 -8.009 -17.778 -5.204 349 HG23 THR 44 HG23 THR 44 -7.461 -19.455 -5.181 350 H ASN 45 H ASN 45 -8.841 -16.221 -5.840 351 HA ASN 45 HA ASN 45 -10.124 -15.123 -8.300 352 HB2 ASN 45 HB3 ASN 45 -10.477 -17.684 -7.736 353 HB3 ASN 45 HB2 ASN 45 -11.614 -17.051 -6.544 354 HD21 ASN 45 HD21 ASN 45 -13.698 -16.779 -7.338 355 HD22 ASN 45 HD22 ASN 45 -14.097 -16.508 -8.966 356 H ASP 46 H ASP 46 -9.154 -14.065 -5.604 357 HA ASP 46 HA ASP 46 -9.921 -12.384 -4.119 358 HB2 ASP 46 HB3 ASP 46 -11.438 -12.238 -6.466 359 HB3 ASP 46 HB2 ASP 46 -12.636 -12.248 -5.172 360 H LYS 47 H LYS 47 -10.666 -12.688 -2.053 361 HA LYS 47 HA LYS 47 -13.152 -13.941 -1.358 362 HB2 LYS 47 HB3 LYS 47 -12.321 -16.108 -0.613 363 HB3 LYS 47 HB2 LYS 47 -11.846 -15.879 -2.295 364 HG2 LYS 47 HG3 LYS 47 -9.896 -14.834 -0.347 365 HG3 LYS 47 HG2 LYS 47 -10.122 -16.582 -0.277 366 HD2 LYS 47 HD3 LYS 47 -9.741 -15.191 -2.922 367 HD3 LYS 47 HD2 LYS 47 -8.353 -15.635 -1.931 368 HE2 LYS 47 HE3 LYS 47 -8.499 -17.677 -2.935 369 HE3 LYS 47 HE2 LYS 47 -9.911 -17.942 -1.896 370 HZ1 LYS 47 HZ1 LYS 47 -10.470 -16.288 -4.182 371 HZ2 LYS 47 HZ2 LYS 47 -11.310 -17.641 -3.593 372 HZ3 LYS 47 HZ3 LYS 47 -9.966 -17.850 -4.610 373 H TRP 48 H TRP 48 -12.122 -15.171 1.109 374 HA TRP 48 HA TRP 48 -11.076 -12.718 2.493 375 HB2 TRP 48 HB3 TRP 48 -12.583 -14.549 4.192 376 HB3 TRP 48 HB2 TRP 48 -12.832 -12.828 3.923 377 HD1 TRP 48 HD1 TRP 48 -13.914 -12.437 1.219 378 HE1 TRP 48 HE1 TRP 48 -16.038 -13.592 0.321 379 HE3 TRP 48 HE3 TRP 48 -14.150 -16.434 4.387 380 HZ2 TRP 48 HZ2 TRP 48 -17.628 -15.908 0.876 381 HZ3 TRP 48 HZ3 TRP 48 -15.975 -18.096 4.182 382 HH2 TRP 48 HH2 TRP 48 -17.713 -17.840 2.432 383 H THR 49 H THR 49 -10.602 -16.025 1.797 384 HA THR 49 HA THR 49 -9.152 -17.663 2.717 385 HB THR 49 HB THR 49 -6.914 -16.586 3.219 386 HG1 THR 49 HG1 THR 49 -7.732 -14.149 2.338 387 HG21 THR 49 HG21 THR 49 -8.407 -15.716 0.730 388 HG22 THR 49 HG22 THR 49 -7.486 -17.207 0.937 389 HG23 THR 49 HG23 THR 49 -6.653 -15.652 0.918 390 H ARG 50 H ARG 50 -7.391 -17.640 4.827 391 HA ARG 50 HA ARG 50 -9.091 -16.921 7.194 392 HB2 ARG 50 HB3 ARG 50 -7.626 -19.422 6.389 393 HB3 ARG 50 HB2 ARG 50 -7.872 -19.076 8.102 394 HG2 ARG 50 HG3 ARG 50 -10.138 -19.396 7.983 395 HG3 ARG 50 HG2 ARG 50 -10.247 -18.755 6.343 396 HD2 ARG 50 HD3 ARG 50 -8.702 -21.257 6.503 397 HD3 ARG 50 HD2 ARG 50 -10.403 -21.436 6.977 398 HE ARG 50 HE ARG 50 -10.355 -19.799 4.670 399 HH11 ARG 50 HH11 ARG 50 -9.561 -23.012 5.659 400 HH12 ARG 50 HH12 ARG 50 -9.877 -23.706 4.104 401 HH21 ARG 50 HH21 ARG 50 -10.762 -20.691 2.637 402 HH22 ARG 50 HH22 ARG 50 -10.556 -22.394 2.394 403 H ASN 51 H ASN 51 -7.437 -14.967 6.717 404 HA ASN 51 HA ASN 51 -5.612 -13.740 7.581 405 HB2 ASN 51 HB3 ASN 51 -6.673 -15.064 9.610 406 HB3 ASN 51 HB2 ASN 51 -5.168 -15.981 9.529 407 HD21 ASN 51 HD21 ASN 51 -3.429 -15.079 10.645 408 HD22 ASN 51 HD22 ASN 51 -3.315 -13.451 11.113 409 H ARG 52 H ARG 52 -4.592 -14.526 5.446 410 HA ARG 52 HA ARG 52 -2.600 -16.685 5.688 411 HB2 ARG 52 HB3 ARG 52 -4.114 -15.463 3.672 412 HB3 ARG 52 HB2 ARG 52 -2.454 -14.972 3.337 413 HG2 ARG 52 HG3 ARG 52 -2.011 -17.013 2.511 414 HG3 ARG 52 HG2 ARG 52 -2.418 -17.731 4.070 415 HD2 ARG 52 HD3 ARG 52 -4.645 -18.151 3.443 416 HD3 ARG 52 HD2 ARG 52 -4.611 -16.927 2.158 417 HE ARG 52 HE ARG 52 -3.581 -18.514 0.739 418 HH11 ARG 52 HH11 ARG 52 -3.425 -19.449 4.060 419 HH12 ARG 52 HH12 ARG 52 -2.761 -21.013 3.723 420 HH21 ARG 52 HH21 ARG 52 -2.706 -20.546 0.288 421 HH22 ARG 52 HH22 ARG 52 -2.354 -21.633 1.590 422 HA PRO 53 HA PRO 53 0.647 -13.997 6.983 423 HB2 PRO 53 HB3 PRO 53 2.766 -15.546 6.146 424 HB3 PRO 53 HB2 PRO 53 1.836 -15.870 7.621 425 HG2 PRO 53 HG3 PRO 53 1.654 -17.155 4.950 426 HG3 PRO 53 HG2 PRO 53 1.496 -17.871 6.560 427 HD2 PRO 53 HD3 PRO 53 -0.632 -17.316 4.960 428 HD3 PRO 53 HD2 PRO 53 -0.720 -17.308 6.736 429 H ILE 54 H ILE 54 2.375 -12.684 5.989 430 HA ILE 54 HA ILE 54 2.053 -12.454 3.016 431 HB ILE 54 HB ILE 54 2.608 -10.478 5.240 432 HG12 ILE 54 HG13 ILE 54 0.249 -11.128 4.770 433 HG13 ILE 54 HG12 ILE 54 0.557 -9.431 4.397 434 HG21 ILE 54 HG21 ILE 54 4.049 -9.670 3.574 435 HG22 ILE 54 HG22 ILE 54 2.541 -8.828 3.213 436 HG23 ILE 54 HG23 ILE 54 3.011 -10.241 2.267 437 HD11 ILE 54 HD11 ILE 54 0.958 -10.107 2.004 438 HD12 ILE 54 HD12 ILE 54 -0.696 -10.377 2.556 439 HD13 ILE 54 HD13 ILE 54 0.425 -11.733 2.431 440 H VAL 55 H VAL 55 3.909 -12.523 1.759 441 HA VAL 55 HA VAL 55 6.455 -13.183 3.146 442 HB VAL 55 HB VAL 55 5.485 -13.337 0.276 443 HG11 VAL 55 HG11 VAL 55 7.867 -13.000 0.203 444 HG12 VAL 55 HG12 VAL 55 7.588 -14.727 -0.023 445 HG13 VAL 55 HG13 VAL 55 8.124 -14.116 1.543 446 HG21 VAL 55 HG21 VAL 55 5.383 -15.091 2.611 447 HG22 VAL 55 HG22 VAL 55 6.158 -15.864 1.227 448 HG23 VAL 55 HG23 VAL 55 4.522 -15.220 1.077 449 H SER 56 H SER 56 8.248 -11.836 3.021 450 HA SER 56 HA SER 56 7.936 -9.338 1.400 451 HB2 SER 56 HB3 SER 56 9.406 -8.402 3.332 452 HB3 SER 56 HB2 SER 56 7.706 -8.711 3.669 453 HG SER 56 HG SER 56 9.929 -10.381 4.249 454 H THR 57 H THR 57 9.842 -8.560 0.385 455 HA THR 57 HA THR 57 12.021 -10.591 0.180 456 HB THR 57 HB THR 57 12.391 -9.600 -2.020 457 HG1 THR 57 HG1 THR 57 11.899 -7.592 -2.254 458 HG21 THR 57 HG21 THR 57 10.597 -10.641 -2.926 459 HG22 THR 57 HG22 THR 57 9.459 -9.560 -2.120 460 HG23 THR 57 HG23 THR 57 10.110 -10.955 -1.260 461 H LYS 58 H LYS 58 14.133 -9.984 0.683 462 HA LYS 58 HA LYS 58 14.575 -7.119 1.461 463 HB2 LYS 58 HB3 LYS 58 15.821 -7.921 3.357 464 HB3 LYS 58 HB2 LYS 58 14.313 -8.838 3.326 465 HG2 LYS 58 HG3 LYS 58 15.732 -10.501 1.833 466 HG3 LYS 58 HG2 LYS 58 17.092 -9.735 2.654 467 HD2 LYS 58 HD3 LYS 58 14.705 -10.937 4.086 468 HD3 LYS 58 HD2 LYS 58 16.236 -11.778 3.837 469 HE2 LYS 58 HE3 LYS 58 16.853 -10.838 5.824 470 HE3 LYS 58 HE2 LYS 58 17.042 -9.339 4.893 471 HZ1 LYS 58 HZ1 LYS 58 14.842 -10.186 6.616 472 HZ2 LYS 58 HZ2 LYS 58 14.426 -9.341 5.203 473 HZ3 LYS 58 HZ3 LYS 58 15.466 -8.633 6.344 474 H LYS 59 H LYS 59 16.233 -6.201 0.336 475 HA LYS 59 HA LYS 59 18.438 -7.955 -0.672 476 HB2 LYS 59 HB3 LYS 59 16.403 -6.415 -2.132 477 HB3 LYS 59 HB2 LYS 59 18.050 -6.053 -2.649 478 HG2 LYS 59 HG3 LYS 59 18.258 -8.051 -3.675 479 HG3 LYS 59 HG2 LYS 59 17.658 -8.913 -2.256 480 HD2 LYS 59 HD3 LYS 59 15.504 -7.452 -3.517 481 HD3 LYS 59 HD2 LYS 59 16.298 -8.502 -4.692 482 HE2 LYS 59 HE3 LYS 59 16.144 -10.343 -2.873 483 HE3 LYS 59 HE2 LYS 59 14.955 -9.275 -2.099 484 HZ1 LYS 59 HZ1 LYS 59 13.573 -9.330 -3.941 485 HZ2 LYS 59 HZ2 LYS 59 14.127 -10.935 -3.862 486 HZ3 LYS 59 HZ3 LYS 59 14.800 -9.854 -4.988 487 H LEU 60 H LEU 60 20.405 -7.064 -0.158 488 HA LEU 60 HA LEU 60 20.462 -4.280 0.883 489 HB2 LEU 60 HB3 LEU 60 22.620 -5.011 1.807 490 HB3 LEU 60 HB2 LEU 60 21.370 -6.197 2.184 491 HG LEU 60 HG LEU 60 22.298 -7.048 -0.281 492 HD11 LEU 60 HD11 LEU 60 24.486 -6.549 -0.564 493 HD12 LEU 60 HD12 LEU 60 24.851 -6.845 1.136 494 HD13 LEU 60 HD13 LEU 60 24.232 -5.274 0.627 495 HD21 LEU 60 HD21 LEU 60 21.999 -8.768 1.203 496 HD22 LEU 60 HD22 LEU 60 22.616 -7.834 2.565 497 HD23 LEU 60 HD23 LEU 60 23.738 -8.582 1.429 498 H ASP 61 H ASP 61 21.548 -2.650 -0.185 499 HA ASP 61 HA ASP 61 22.556 -3.206 -2.906 500 HB2 ASP 61 HB3 ASP 61 21.139 -1.185 -1.712 501 HB3 ASP 61 HB2 ASP 61 22.766 -0.503 -1.721 502 H LYS 62 H LYS 62 24.627 -1.610 -3.343 503 HA LYS 62 HA LYS 62 26.884 -2.848 -2.148 504 HB2 LYS 62 HB3 LYS 62 28.096 -0.967 -3.226 505 HB3 LYS 62 HB2 LYS 62 26.862 -1.634 -4.294 506 HG2 LYS 62 HG3 LYS 62 26.021 0.448 -4.480 507 HG3 LYS 62 HG2 LYS 62 25.530 0.323 -2.790 508 HD2 LYS 62 HD3 LYS 62 27.679 1.237 -2.063 509 HD3 LYS 62 HD2 LYS 62 28.243 1.295 -3.734 510 HE2 LYS 62 HE3 LYS 62 26.163 2.781 -4.183 511 HE3 LYS 62 HE2 LYS 62 26.103 2.975 -2.421 512 HZ1 LYS 62 HZ1 LYS 62 27.892 4.277 -2.454 513 HZ2 LYS 62 HZ2 LYS 62 27.753 4.337 -4.145 514 HZ3 LYS 62 HZ3 LYS 62 28.769 3.188 -3.415 515 H GLU 63 H GLU 63 24.792 -0.408 -0.908 516 HA GLU 63 HA GLU 63 26.754 0.810 0.902 517 HB2 GLU 63 HB3 GLU 63 23.787 0.963 0.395 518 HB3 GLU 63 HB2 GLU 63 24.484 1.741 1.817 519 HG2 GLU 63 HG3 GLU 63 26.188 2.463 -0.284 520 HG3 GLU 63 HG2 GLU 63 24.564 2.592 -0.963 521 H GLY 64 H GLY 64 24.856 -2.036 0.895 522 HA2 GLY 64 HA3 GLY 64 24.930 -3.753 2.551 523 HA3 GLY 64 HA2 GLY 64 25.640 -2.598 3.679 524 H ARG 65 H ARG 65 22.988 -1.199 2.156 525 HA ARG 65 HA ARG 65 21.362 -1.504 4.614 526 HB2 ARG 65 HB3 ARG 65 21.877 0.679 3.412 527 HB3 ARG 65 HB2 ARG 65 20.833 0.114 2.107 528 HG2 ARG 65 HG3 ARG 65 18.933 0.483 3.302 529 HG3 ARG 65 HG2 ARG 65 19.648 -0.116 4.798 530 HD2 ARG 65 HD3 ARG 65 20.297 2.595 3.585 531 HD3 ARG 65 HD2 ARG 65 19.130 2.341 4.898 532 HE ARG 65 HE ARG 65 21.562 1.013 5.581 533 HH11 ARG 65 HH11 ARG 65 20.228 4.170 5.134 534 HH12 ARG 65 HH12 ARG 65 21.291 4.920 6.277 535 HH21 ARG 65 HH21 ARG 65 22.948 1.982 7.074 536 HH22 ARG 65 HH22 ARG 65 22.829 3.683 7.374 537 H THR 66 H THR 66 19.820 -3.079 4.697 538 HA THR 66 HA THR 66 19.048 -4.613 2.344 539 HB THR 66 HB THR 66 18.049 -4.510 5.209 540 HG1 THR 66 HG1 THR 66 19.753 -6.362 3.914 541 HG21 THR 66 HG21 THR 66 16.791 -6.426 4.804 542 HG22 THR 66 HG22 THR 66 17.725 -6.860 3.374 543 HG23 THR 66 HG23 THR 66 16.562 -5.538 3.298 544 H HIS 67 H HIS 67 17.302 -4.243 1.034 545 HA HIS 67 HA HIS 67 15.397 -2.068 1.809 546 HB2 HIS 67 HB3 HIS 67 16.364 -3.281 -0.786 547 HB3 HIS 67 HB2 HIS 67 14.933 -2.253 -0.734 548 HD1 HIS 67 HD1 HIS 67 17.788 -1.537 -2.070 549 HD2 HIS 67 HD2 HIS 67 16.321 -0.128 1.569 550 HE1 HIS 67 HE1 HIS 67 19.016 0.627 -1.593 551 H HIS 68 H HIS 68 13.166 -2.525 1.860 552 HA HIS 68 HA HIS 68 12.416 -5.408 1.485 553 HB2 HIS 68 HB3 HIS 68 11.903 -3.333 3.539 554 HB3 HIS 68 HB2 HIS 68 10.515 -4.340 3.126 555 HD1 HIS 68 HD1 HIS 68 10.629 -6.848 3.725 556 HD2 HIS 68 HD2 HIS 68 14.080 -4.747 4.752 557 HE1 HIS 68 HE1 HIS 68 11.990 -8.387 5.207 558 H TYR 69 H TYR 69 10.694 -5.834 0.122 559 HA TYR 69 HA TYR 69 9.187 -3.481 -0.978 560 HB2 TYR 69 HB3 TYR 69 9.947 -6.055 -2.392 561 HB3 TYR 69 HB2 TYR 69 9.278 -4.598 -3.127 562 HD1 TYR 69 HD1 TYR 69 10.687 -2.844 -3.844 563 HD2 TYR 69 HD2 TYR 69 12.233 -5.893 -1.244 564 HE1 TYR 69 HE1 TYR 69 12.977 -1.943 -4.149 565 HE2 TYR 69 HE2 TYR 69 14.523 -4.992 -1.549 566 HH TYR 69 HH TYR 69 15.180 -2.003 -2.724 567 H MET 70 H MET 70 6.995 -3.646 -0.653 568 HA MET 70 HA MET 70 5.799 -6.378 -0.378 569 HB2 MET 70 HB3 MET 70 6.327 -4.634 1.705 570 HB3 MET 70 HB2 MET 70 4.640 -4.282 1.327 571 HG2 MET 70 HG3 MET 70 3.922 -6.319 2.050 572 HG3 MET 70 HG2 MET 70 5.322 -7.157 1.382 573 HE1 MET 70 HE1 MET 70 3.514 -5.559 3.938 574 HE2 MET 70 HE2 MET 70 4.459 -5.480 5.423 575 HE3 MET 70 HE3 MET 70 3.826 -7.029 4.871 576 H ARG 71 H ARG 71 4.011 -6.579 -1.675 577 HA ARG 71 HA ARG 71 2.487 -4.108 -2.395 578 HB2 ARG 71 HB3 ARG 71 2.423 -5.173 -4.747 579 HB3 ARG 71 HB2 ARG 71 3.948 -4.446 -4.241 580 HG2 ARG 71 HG3 ARG 71 4.853 -6.612 -3.639 581 HG3 ARG 71 HG2 ARG 71 3.296 -7.389 -3.931 582 HD2 ARG 71 HD3 ARG 71 4.162 -7.804 -6.013 583 HD3 ARG 71 HD2 ARG 71 3.739 -6.110 -6.333 584 HE ARG 71 HE ARG 71 6.046 -5.628 -6.297 585 HH11 ARG 71 HH11 ARG 71 5.325 -8.486 -4.494 586 HH12 ARG 71 HH12 ARG 71 6.981 -8.815 -4.109 587 HH21 ARG 71 HH21 ARG 71 8.208 -6.051 -5.802 588 HH22 ARG 71 HH22 ARG 71 8.610 -7.440 -4.849 589 H PHE 72 H PHE 72 0.263 -4.465 -2.652 590 HA PHE 72 HA PHE 72 -0.798 -7.226 -2.712 591 HB2 PHE 72 HB3 PHE 72 -2.251 -6.466 -0.648 592 HB3 PHE 72 HB2 PHE 72 -0.619 -7.071 -0.380 593 HD1 PHE 72 HD1 PHE 72 -2.630 -3.958 -0.777 594 HD2 PHE 72 HD2 PHE 72 1.070 -5.687 0.551 595 HE1 PHE 72 HE1 PHE 72 -1.998 -1.801 0.274 596 HE2 PHE 72 HE2 PHE 72 1.702 -3.533 1.600 597 HZ PHE 72 HZ PHE 72 0.169 -1.589 1.463 598 H HIS 73 H HIS 73 -3.155 -7.212 -3.130 599 HA HIS 73 HA HIS 73 -3.958 -4.778 -4.642 600 HB2 HIS 73 HB3 HIS 73 -5.194 -7.544 -4.481 601 HB3 HIS 73 HB2 HIS 73 -5.538 -6.310 -5.692 602 HD1 HIS 73 HD1 HIS 73 -4.398 -6.878 -7.825 603 HD2 HIS 73 HD2 HIS 73 -2.061 -7.910 -4.531 604 HE1 HIS 73 HE1 HIS 73 -2.238 -7.827 -8.748 605 H VAL 74 H VAL 74 -6.130 -3.923 -4.368 606 HA VAL 74 HA VAL 74 -7.344 -4.493 -1.683 607 HB VAL 74 HB VAL 74 -6.976 -1.895 -3.215 608 HG11 VAL 74 HG11 VAL 74 -9.146 -1.892 -2.084 609 HG12 VAL 74 HG12 VAL 74 -8.028 -0.840 -1.218 610 HG13 VAL 74 HG13 VAL 74 -8.392 -2.446 -0.589 611 HG21 VAL 74 HG21 VAL 74 -5.990 -1.761 -0.567 612 HG22 VAL 74 HG22 VAL 74 -5.044 -1.801 -2.055 613 HG23 VAL 74 HG23 VAL 74 -5.432 -3.304 -1.217 614 H GLU 75 H GLU 75 -9.601 -4.755 -1.702 615 HA GLU 75 HA GLU 75 -10.888 -4.683 -4.403 616 HB2 GLU 75 HB3 GLU 75 -10.623 -6.739 -2.715 617 HB3 GLU 75 HB2 GLU 75 -12.090 -6.041 -2.027 618 HG2 GLU 75 HG3 GLU 75 -12.736 -5.946 -4.651 619 HG3 GLU 75 HG2 GLU 75 -11.673 -7.353 -4.660 620 H SER 76 H SER 76 -12.410 -3.144 -4.749 621 HA SER 76 HA SER 76 -13.648 -1.783 -2.380 622 HB2 SER 76 HB3 SER 76 -13.614 -0.534 -5.082 623 HB3 SER 76 HB2 SER 76 -13.348 0.203 -3.505 624 HG SER 76 HG SER 76 -11.565 -1.351 -5.065 625 H LYS 77 H LYS 77 -15.855 -0.728 -3.167 626 HA LYS 77 HA LYS 77 -17.556 -2.927 -4.080 627 HB2 LYS 77 HB3 LYS 77 -17.784 -0.229 -2.885 628 HB3 LYS 77 HB2 LYS 77 -19.138 -0.702 -3.911 629 HG2 LYS 77 HG3 LYS 77 -18.757 -2.996 -2.488 630 HG3 LYS 77 HG2 LYS 77 -18.289 -1.786 -1.293 631 HD2 LYS 77 HD3 LYS 77 -20.491 -0.577 -2.087 632 HD3 LYS 77 HD2 LYS 77 -20.942 -2.191 -2.637 633 HE2 LYS 77 HE3 LYS 77 -21.420 -2.830 -0.516 634 HE3 LYS 77 HE2 LYS 77 -19.817 -2.308 0.042 635 HZ1 LYS 77 HZ1 LYS 77 -20.643 0.005 -0.050 636 HZ2 LYS 77 HZ2 LYS 77 -21.465 -0.944 1.094 637 HZ3 LYS 77 HZ3 LYS 77 -22.196 -0.582 -0.396 638 H LYS 78 H LYS 78 -15.853 -0.370 -5.616 639 HA LYS 78 HA LYS 78 -17.684 -0.434 -7.981 640 HB2 LYS 78 HB3 LYS 78 -15.920 1.520 -6.652 641 HB3 LYS 78 HB2 LYS 78 -15.820 1.537 -8.414 642 HG2 LYS 78 HG3 LYS 78 -17.812 2.569 -8.563 643 HG3 LYS 78 HG2 LYS 78 -18.578 1.305 -7.601 644 HD2 LYS 78 HD3 LYS 78 -16.931 2.991 -5.921 645 HD3 LYS 78 HD2 LYS 78 -18.099 3.965 -6.816 646 HE2 LYS 78 HE3 LYS 78 -19.950 2.645 -5.981 647 HE3 LYS 78 HE2 LYS 78 -18.838 1.474 -5.242 648 HZ1 LYS 78 HZ1 LYS 78 -19.328 4.285 -4.487 649 HZ2 LYS 78 HZ2 LYS 78 -17.848 3.540 -4.108 650 HZ3 LYS 78 HZ3 LYS 78 -19.303 2.909 -3.497 651 H LYS 79 H LYS 79 -14.456 -1.273 -6.890 652 HA LYS 79 HA LYS 79 -13.945 -2.895 -9.226 653 HB2 LYS 79 HB3 LYS 79 -12.151 -1.424 -10.168 654 HB3 LYS 79 HB2 LYS 79 -13.751 -0.686 -10.258 655 HG2 LYS 79 HG3 LYS 79 -13.258 0.511 -8.110 656 HG3 LYS 79 HG2 LYS 79 -11.616 -0.130 -8.180 657 HD2 LYS 79 HD3 LYS 79 -11.709 2.148 -9.121 658 HD3 LYS 79 HD2 LYS 79 -11.278 0.972 -10.364 659 HE2 LYS 79 HE3 LYS 79 -13.451 1.032 -11.333 660 HE3 LYS 79 HE2 LYS 79 -14.146 1.836 -9.911 661 HZ1 LYS 79 HZ1 LYS 79 -13.557 3.325 -11.858 662 HZ2 LYS 79 HZ2 LYS 79 -11.929 3.027 -11.472 663 HZ3 LYS 79 HZ3 LYS 79 -12.948 3.788 -10.345 664 H ILE 80 H ILE 80 -11.127 -2.741 -9.246 665 HA ILE 80 HA ILE 80 -10.383 -3.353 -6.406 666 HB ILE 80 HB ILE 80 -9.426 -4.848 -8.857 667 HG12 ILE 80 HG13 ILE 80 -11.857 -5.346 -7.118 668 HG13 ILE 80 HG12 ILE 80 -11.813 -5.142 -8.870 669 HG21 ILE 80 HG21 ILE 80 -9.698 -5.976 -6.095 670 HG22 ILE 80 HG22 ILE 80 -8.360 -4.876 -6.428 671 HG23 ILE 80 HG23 ILE 80 -8.526 -6.369 -7.354 672 HD11 ILE 80 HD11 ILE 80 -10.540 -7.425 -7.333 673 HD12 ILE 80 HD12 ILE 80 -10.495 -7.216 -9.083 674 HD13 ILE 80 HD13 ILE 80 -12.030 -7.526 -8.271 675 H ALA 81 H ALA 81 -8.472 -2.374 -5.785 676 HA ALA 81 HA ALA 81 -6.818 -1.107 -7.947 677 HB1 ALA 81 HB1 ALA 81 -6.867 -0.216 -5.077 678 HB2 ALA 81 HB2 ALA 81 -8.215 0.205 -6.134 679 HB3 ALA 81 HB3 ALA 81 -6.582 0.740 -6.532 680 H LEU 82 H LEU 82 -4.496 -1.048 -7.540 681 HA LEU 82 HA LEU 82 -3.563 -3.283 -5.768 682 HB2 LEU 82 HB3 LEU 82 -3.309 -2.891 -8.483 683 HB3 LEU 82 HB2 LEU 82 -1.790 -2.226 -7.880 684 HG LEU 82 HG LEU 82 -2.853 -4.949 -7.088 685 HD11 LEU 82 HD11 LEU 82 -1.254 -5.885 -8.675 686 HD12 LEU 82 HD12 LEU 82 -0.713 -4.269 -9.128 687 HD13 LEU 82 HD13 LEU 82 -2.347 -4.798 -9.531 688 HD21 LEU 82 HD21 LEU 82 -0.994 -5.124 -5.786 689 HD22 LEU 82 HD22 LEU 82 -0.963 -3.363 -5.880 690 HD23 LEU 82 HD23 LEU 82 0.028 -4.322 -6.979 691 H VAL 83 H VAL 83 -2.047 -2.754 -4.186 692 HA VAL 83 HA VAL 83 -1.167 0.108 -4.084 693 HB VAL 83 HB VAL 83 -1.518 -2.004 -1.934 694 HG11 VAL 83 HG11 VAL 83 -0.342 0.723 -1.963 695 HG12 VAL 83 HG12 VAL 83 -0.013 -0.633 -0.885 696 HG13 VAL 83 HG13 VAL 83 -1.442 0.369 -0.630 697 HG21 VAL 83 HG21 VAL 83 -3.592 -1.043 -3.085 698 HG22 VAL 83 HG22 VAL 83 -3.128 0.517 -2.407 699 HG23 VAL 83 HG23 VAL 83 -3.517 -0.829 -1.336 700 H HIS 84 H HIS 84 1.009 0.545 -4.077 701 HA HIS 84 HA HIS 84 2.911 -1.751 -3.741 702 HB2 HIS 84 HB3 HIS 84 2.599 0.347 -5.864 703 HB3 HIS 84 HB2 HIS 84 4.217 -0.255 -5.505 704 HD1 HIS 84 HD1 HIS 84 4.852 -2.452 -6.532 705 HD2 HIS 84 HD2 HIS 84 0.727 -1.853 -6.573 706 HE1 HIS 84 HE1 HIS 84 3.861 -4.378 -7.846 707 H LEU 85 H LEU 85 4.142 -1.303 -1.943 708 HA LEU 85 HA LEU 85 4.977 1.542 -1.498 709 HB2 LEU 85 HB3 LEU 85 4.580 1.207 0.863 710 HB3 LEU 85 HB2 LEU 85 3.137 0.668 0.004 711 HG LEU 85 HG LEU 85 4.360 -1.667 0.020 712 HD11 LEU 85 HD11 LEU 85 5.466 -1.583 2.501 713 HD12 LEU 85 HD12 LEU 85 5.918 0.013 1.903 714 HD13 LEU 85 HD13 LEU 85 6.404 -1.431 1.016 715 HD21 LEU 85 HD21 LEU 85 2.260 -1.395 1.126 716 HD22 LEU 85 HD22 LEU 85 2.960 -0.330 2.345 717 HD23 LEU 85 HD23 LEU 85 3.351 -2.049 2.347 718 H GLU 86 H GLU 86 7.088 1.783 -0.553 719 HA GLU 86 HA GLU 86 8.751 -0.712 -0.488 720 HB2 GLU 86 HB3 GLU 86 8.775 1.431 -2.348 721 HB3 GLU 86 HB2 GLU 86 10.221 1.617 -1.356 722 HG2 GLU 86 HG3 GLU 86 11.119 -0.406 -2.035 723 HG3 GLU 86 HG2 GLU 86 9.539 -1.118 -2.361 724 H ALA 87 H ALA 87 9.981 -0.859 1.355 725 HA ALA 87 HA ALA 87 10.429 1.637 2.961 726 HB1 ALA 87 HB1 ALA 87 9.464 0.617 4.761 727 HB2 ALA 87 HB2 ALA 87 10.222 -0.934 4.397 728 HB3 ALA 87 HB3 ALA 87 8.743 -0.457 3.562 729 H LYS 88 H LYS 88 12.482 1.740 4.003 730 HA LYS 88 HA LYS 88 14.375 -0.509 3.418 731 HB2 LYS 88 HB3 LYS 88 16.040 1.352 2.906 732 HB3 LYS 88 HB2 LYS 88 14.735 1.167 1.735 733 HG2 LYS 88 HG3 LYS 88 13.501 3.003 2.742 734 HG3 LYS 88 HG2 LYS 88 14.690 3.137 4.037 735 HD2 LYS 88 HD3 LYS 88 15.537 3.380 1.158 736 HD3 LYS 88 HD2 LYS 88 14.876 4.772 2.017 737 HE2 LYS 88 HE3 LYS 88 16.951 3.271 3.510 738 HE3 LYS 88 HE2 LYS 88 17.525 4.116 2.059 739 HZ1 LYS 88 HZ1 LYS 88 16.764 6.141 2.821 740 HZ2 LYS 88 HZ2 LYS 88 17.314 5.428 4.261 741 HZ3 LYS 88 HZ3 LYS 88 15.653 5.451 3.901 742 H GLU 89 H GLU 89 15.912 -0.877 5.044 743 HA GLU 89 HA GLU 89 15.376 0.371 7.661 744 HB2 GLU 89 HB3 GLU 89 16.925 -1.399 8.420 745 HB3 GLU 89 HB2 GLU 89 15.702 -2.069 7.339 746 HG2 GLU 89 HG3 GLU 89 17.338 -2.838 6.004 747 HG3 GLU 89 HG2 GLU 89 17.835 -1.173 5.698 748 H SER 90 H SER 90 16.700 1.911 8.609 749 HA SER 90 HA SER 90 19.319 2.506 7.271 750 HB2 SER 90 HB3 SER 90 18.782 4.868 7.501 751 HB3 SER 90 HB2 SER 90 17.432 4.070 6.700 752 HG SER 90 HG SER 90 16.768 3.815 9.105 753 H LYS 91 H LYS 91 21.021 2.866 8.683 754 HA LYS 91 HA LYS 91 22.206 2.942 10.724 755 HB2 LYS 91 HB3 LYS 91 20.966 5.051 10.879 756 HB3 LYS 91 HB2 LYS 91 19.566 4.202 11.533 757 HG2 LYS 91 HG3 LYS 91 21.015 5.317 13.280 758 HG3 LYS 91 HG2 LYS 91 20.776 3.587 13.528 759 HD2 LYS 91 HD3 LYS 91 22.942 3.088 12.557 760 HD3 LYS 91 HD2 LYS 91 23.173 4.779 12.109 761 HE2 LYS 91 HE3 LYS 91 22.749 3.934 14.988 762 HE3 LYS 91 HE2 LYS 91 24.363 4.042 14.256 763 HZ1 LYS 91 HZ1 LYS 91 23.764 6.156 15.243 764 HZ2 LYS 91 HZ2 LYS 91 22.329 6.209 14.335 765 HZ3 LYS 91 HZ3 LYS 91 23.835 6.310 13.556 766 H GLN 92 H GLN 92 22.614 1.187 11.991 767 HA GLN 92 HA GLN 92 22.203 -0.867 13.122 768 HB2 GLN 92 HB3 GLN 92 21.463 1.349 14.497 769 HB3 GLN 92 HB2 GLN 92 19.927 0.485 14.476 770 HG2 GLN 92 HG3 GLN 92 21.339 -1.576 15.215 771 HG3 GLN 92 HG2 GLN 92 22.556 -0.379 15.662 772 HE21 GLN 92 HE21 GLN 92 22.389 0.068 17.858 773 HE22 GLN 92 HE22 GLN 92 20.933 0.230 18.716 774 H ASN 93 H ASN 93 19.778 -1.854 14.193 775 HA ASN 93 HA ASN 93 18.455 -2.794 11.724 776 HB2 ASN 93 HB3 ASN 93 18.924 -3.670 14.464 777 HB3 ASN 93 HB2 ASN 93 17.238 -3.900 13.999 778 HD21 ASN 93 HD21 ASN 93 20.514 -5.013 13.448 779 HD22 ASN 93 HD22 ASN 93 20.119 -6.236 12.339 780 H TYR 94 H TYR 94 18.084 0.018 12.897 781 HA TYR 94 HA TYR 94 15.672 0.512 14.152 782 HB2 TYR 94 HB3 TYR 94 17.532 1.858 12.482 783 HB3 TYR 94 HB2 TYR 94 15.930 2.215 11.837 784 HD1 TYR 94 HD1 TYR 94 14.131 3.065 13.440 785 HD2 TYR 94 HD2 TYR 94 18.294 2.873 14.481 786 HE1 TYR 94 HE1 TYR 94 13.741 4.667 15.293 787 HE2 TYR 94 HE2 TYR 94 17.905 4.476 16.333 788 HH TYR 94 HH TYR 94 16.308 5.483 17.586 789 H GLN 95 H GLN 95 13.500 1.023 13.242 790 HA GLN 95 HA GLN 95 12.508 -1.072 11.518 791 HB2 GLN 95 HB3 GLN 95 11.387 1.505 12.647 792 HB3 GLN 95 HB2 GLN 95 10.407 0.371 11.717 793 HG2 GLN 95 HG3 GLN 95 11.959 -0.352 14.220 794 HG3 GLN 95 HG2 GLN 95 10.230 -0.005 14.180 795 HE21 GLN 95 HE21 GLN 95 12.364 -2.563 14.157 796 HE22 GLN 95 HE22 GLN 95 11.413 -3.710 13.344 797 HA PRO 96 HA PRO 96 13.333 0.753 7.591 798 HB2 PRO 96 HB3 PRO 96 10.909 -0.615 6.616 799 HB3 PRO 96 HB2 PRO 96 12.600 -0.857 6.142 800 HG2 PRO 96 HG3 PRO 96 11.211 -2.647 7.609 801 HG3 PRO 96 HG2 PRO 96 12.963 -2.434 7.738 802 HD2 PRO 96 HD3 PRO 96 10.813 -1.550 9.587 803 HD3 PRO 96 HD2 PRO 96 12.483 -2.050 9.938 804 H ASP 97 H ASP 97 12.559 2.548 6.427 805 HA ASP 97 HA ASP 97 9.960 3.696 7.380 806 HB2 ASP 97 HB3 ASP 97 12.527 4.911 6.312 807 HB3 ASP 97 HB2 ASP 97 11.071 5.851 6.642 808 H PHE 98 H PHE 98 8.359 3.867 5.849 809 HA PHE 98 HA PHE 98 8.592 2.842 3.212 810 HB2 PHE 98 HB3 PHE 98 6.682 4.846 4.462 811 HB3 PHE 98 HB2 PHE 98 6.397 4.037 2.921 812 HD1 PHE 98 HD1 PHE 98 7.245 1.320 3.306 813 HD2 PHE 98 HD2 PHE 98 5.268 3.932 6.085 814 HE1 PHE 98 HE1 PHE 98 6.324 -0.648 4.500 815 HE2 PHE 98 HE2 PHE 98 4.348 1.964 7.280 816 HZ PHE 98 HZ PHE 98 4.876 -0.326 6.488 817 H ILE 99 H ILE 99 9.614 3.719 1.470 818 HA ILE 99 HA ILE 99 10.129 6.673 1.458 819 HB ILE 99 HB ILE 99 11.954 5.870 -0.209 820 HG12 ILE 99 HG13 ILE 99 11.470 3.244 1.216 821 HG13 ILE 99 HG12 ILE 99 10.829 3.574 -0.395 822 HG21 ILE 99 HG21 ILE 99 12.979 4.688 2.130 823 HG22 ILE 99 HG22 ILE 99 11.812 5.890 2.684 824 HG23 ILE 99 HG23 ILE 99 13.146 6.372 1.633 825 HD11 ILE 99 HD11 ILE 99 12.847 2.645 -1.004 826 HD12 ILE 99 HD12 ILE 99 13.653 3.167 0.475 827 HD13 ILE 99 HD13 ILE 99 13.364 4.322 -0.825 828 H ASN 100 H ASN 100 8.453 4.122 -0.121 829 HA ASN 100 HA ASN 100 7.555 6.015 -2.230 830 HB2 ASN 100 HB3 ASN 100 8.801 3.287 -2.712 831 HB3 ASN 100 HB2 ASN 100 8.051 4.283 -3.961 832 HD21 ASN 100 HD21 ASN 100 11.016 3.611 -2.443 833 HD22 ASN 100 HD22 ASN 100 11.865 4.994 -2.940 834 H MET 101 H MET 101 5.348 5.796 -2.424 835 HA MET 101 HA MET 101 4.104 3.129 -2.025 836 HB2 MET 101 HB3 MET 101 4.114 4.009 0.200 837 HB3 MET 101 HB2 MET 101 3.639 5.610 -0.359 838 HG2 MET 101 HG3 MET 101 1.785 4.200 0.695 839 HG3 MET 101 HG2 MET 101 1.430 4.880 -0.891 840 HE1 MET 101 HE1 MET 101 0.441 2.474 1.006 841 HE2 MET 101 HE2 MET 101 1.933 1.555 1.193 842 HE3 MET 101 HE3 MET 101 0.586 0.861 0.293 843 H TYR 102 H TYR 102 2.756 2.912 -3.764 844 HA TYR 102 HA TYR 102 0.986 5.184 -4.488 845 HB2 TYR 102 HB3 TYR 102 1.691 5.077 -6.823 846 HB3 TYR 102 HB2 TYR 102 3.113 5.330 -5.812 847 HD1 TYR 102 HD1 TYR 102 1.256 2.895 -7.871 848 HD2 TYR 102 HD2 TYR 102 4.774 3.580 -5.503 849 HE1 TYR 102 HE1 TYR 102 2.276 0.828 -8.789 850 HE2 TYR 102 HE2 TYR 102 5.794 1.513 -6.419 851 HH TYR 102 HH TYR 102 4.110 -0.429 -8.889 852 H VAL 103 H VAL 103 -0.767 4.431 -5.998 853 HA VAL 103 HA VAL 103 -1.234 1.478 -5.759 854 HB VAL 103 HB VAL 103 -3.168 3.796 -5.435 855 HG11 VAL 103 HG11 VAL 103 -3.702 0.862 -4.934 856 HG12 VAL 103 HG12 VAL 103 -4.047 1.624 -6.487 857 HG13 VAL 103 HG13 VAL 103 -4.871 2.180 -5.030 858 HG21 VAL 103 HG21 VAL 103 -1.495 2.227 -3.592 859 HG22 VAL 103 HG22 VAL 103 -3.197 2.274 -3.131 860 HG23 VAL 103 HG23 VAL 103 -2.297 3.777 -3.336 861 H ASP 104 H ASP 104 -2.407 0.530 -7.513 862 HA ASP 104 HA ASP 104 -2.422 2.183 -10.011 863 HB2 ASP 104 HB3 ASP 104 -0.978 0.060 -9.640 864 HB3 ASP 104 HB2 ASP 104 -2.495 -0.828 -9.788 865 H VAL 105 H VAL 105 -4.463 2.811 -10.604 866 HA VAL 105 HA VAL 105 -6.763 1.031 -9.871 867 HB VAL 105 HB VAL 105 -6.662 4.004 -10.481 868 HG11 VAL 105 HG11 VAL 105 -8.832 2.559 -10.788 869 HG12 VAL 105 HG12 VAL 105 -8.928 4.084 -9.905 870 HG13 VAL 105 HG13 VAL 105 -8.859 2.558 -9.024 871 HG21 VAL 105 HG21 VAL 105 -7.047 4.189 -7.987 872 HG22 VAL 105 HG22 VAL 105 -5.452 3.580 -8.431 873 HG23 VAL 105 HG23 VAL 105 -6.698 2.465 -7.868 874 HA PRO 106 HA PRO 106 -7.029 0.438 -14.277 875 HB2 PRO 106 HB3 PRO 106 -9.367 -1.006 -14.234 876 HB3 PRO 106 HB2 PRO 106 -7.781 -1.701 -13.846 877 HG2 PRO 106 HG3 PRO 106 -9.956 -0.816 -12.028 878 HG3 PRO 106 HG2 PRO 106 -8.841 -2.183 -11.876 879 HD2 PRO 106 HD3 PRO 106 -8.571 0.162 -10.497 880 HD3 PRO 106 HD2 PRO 106 -7.212 -0.909 -10.903 881 H GLY 107 H GLY 107 -7.919 1.841 -15.767 882 HA2 GLY 107 HA3 GLY 107 -9.647 3.100 -16.825 883 HA3 GLY 107 HA2 GLY 107 -10.682 2.804 -15.428 884 H GLU 108 H GLU 108 -8.261 3.694 -13.709 885 HA GLU 108 HA GLU 108 -8.738 6.637 -14.070 886 HB2 GLU 108 HB3 GLU 108 -9.275 4.887 -11.940 887 HB3 GLU 108 HB2 GLU 108 -7.844 5.789 -11.437 888 HG2 GLU 108 HG3 GLU 108 -9.597 7.179 -10.730 889 HG3 GLU 108 HG2 GLU 108 -9.159 7.875 -12.290 890 H LYS 109 H LYS 109 -6.895 7.980 -13.136 891 HA LYS 109 HA LYS 109 -4.348 7.052 -14.245 892 HB2 LYS 109 HB3 LYS 109 -5.670 9.469 -13.760 893 HB3 LYS 109 HB2 LYS 109 -4.319 9.483 -12.625 894 HG2 LYS 109 HG3 LYS 109 -3.092 8.546 -14.878 895 HG3 LYS 109 HG2 LYS 109 -4.300 9.626 -15.577 896 HD2 LYS 109 HD3 LYS 109 -2.271 10.899 -15.139 897 HD3 LYS 109 HD2 LYS 109 -3.526 11.422 -14.014 898 HE2 LYS 109 HE3 LYS 109 -2.571 10.116 -12.217 899 HE3 LYS 109 HE2 LYS 109 -1.431 9.332 -13.329 900 HZ1 LYS 109 HZ1 LYS 109 -0.723 11.685 -13.918 901 HZ2 LYS 109 HZ2 LYS 109 -0.222 11.091 -12.407 902 HZ3 LYS 109 HZ3 LYS 109 -1.528 12.172 -12.508 903 H ARG 110 H ARG 110 -2.636 6.225 -13.067 904 HA ARG 110 HA ARG 110 -2.929 5.187 -10.457 905 HB2 ARG 110 HB3 ARG 110 -0.624 5.934 -12.244 906 HB3 ARG 110 HB2 ARG 110 -0.309 5.321 -10.620 907 HG2 ARG 110 HG3 ARG 110 -2.137 3.504 -11.439 908 HG3 ARG 110 HG2 ARG 110 -1.410 3.912 -12.993 909 HD2 ARG 110 HD3 ARG 110 0.401 3.362 -10.656 910 HD3 ARG 110 HD2 ARG 110 -0.330 1.999 -11.527 911 HE ARG 110 HE ARG 110 0.717 3.937 -13.389 912 HH11 ARG 110 HH11 ARG 110 1.588 1.434 -11.174 913 HH12 ARG 110 HH12 ARG 110 3.042 1.015 -12.018 914 HH21 ARG 110 HH21 ARG 110 2.611 3.403 -14.494 915 HH22 ARG 110 HH22 ARG 110 3.620 2.128 -13.895 916 H TYR 111 H TYR 111 -2.749 6.107 -8.440 917 HA TYR 111 HA TYR 111 -1.774 8.944 -8.285 918 HB2 TYR 111 HB3 TYR 111 -4.288 8.107 -7.901 919 HB3 TYR 111 HB2 TYR 111 -3.660 7.756 -6.292 920 HD1 TYR 111 HD1 TYR 111 -2.623 9.586 -4.927 921 HD2 TYR 111 HD2 TYR 111 -4.652 10.356 -8.634 922 HE1 TYR 111 HE1 TYR 111 -2.796 11.988 -4.334 923 HE2 TYR 111 HE2 TYR 111 -4.824 12.759 -8.040 924 HH TYR 111 HH TYR 111 -3.520 14.374 -6.531 925 H TYR 112 H TYR 112 0.249 8.855 -7.334 926 HA TYR 112 HA TYR 112 1.042 6.703 -5.539 927 HB2 TYR 112 HB3 TYR 112 3.144 7.907 -5.514 928 HB3 TYR 112 HB2 TYR 112 2.495 7.998 -7.152 929 HD1 TYR 112 HD1 TYR 112 3.164 9.865 -4.052 930 HD2 TYR 112 HD2 TYR 112 1.563 10.083 -8.033 931 HE1 TYR 112 HE1 TYR 112 3.191 12.341 -3.927 932 HE2 TYR 112 HE2 TYR 112 1.589 12.560 -7.907 933 HH TYR 112 HH TYR 112 2.440 14.237 -4.912 934 H LEU 113 H LEU 113 1.260 6.813 -3.268 935 HA LEU 113 HA LEU 113 -0.290 8.969 -1.941 936 HB2 LEU 113 HB3 LEU 113 0.085 6.182 -1.645 937 HB3 LEU 113 HB2 LEU 113 0.803 6.920 -0.214 938 HG LEU 113 HG LEU 113 -1.665 6.381 -0.010 939 HD11 LEU 113 HD11 LEU 113 -2.099 8.311 1.276 940 HD12 LEU 113 HD12 LEU 113 -1.182 9.351 0.188 941 HD13 LEU 113 HD13 LEU 113 -0.338 8.222 1.247 942 HD21 LEU 113 HD21 LEU 113 -1.727 7.728 -2.499 943 HD22 LEU 113 HD22 LEU 113 -2.562 8.776 -1.352 944 HD23 LEU 113 HD23 LEU 113 -3.102 7.113 -1.584 945 H ILE 114 H ILE 114 2.924 7.396 -1.630 946 HA ILE 114 HA ILE 114 3.824 9.697 0.045 947 HB ILE 114 HB ILE 114 4.986 6.960 -0.566 948 HG12 ILE 114 HG13 ILE 114 3.760 8.080 1.975 949 HG13 ILE 114 HG12 ILE 114 2.909 7.032 0.839 950 HG21 ILE 114 HG21 ILE 114 6.918 8.032 0.040 951 HG22 ILE 114 HG22 ILE 114 6.271 7.809 1.665 952 HG23 ILE 114 HG23 ILE 114 6.056 9.350 0.835 953 HD11 ILE 114 HD11 ILE 114 3.723 5.330 2.099 954 HD12 ILE 114 HD12 ILE 114 4.953 6.353 2.843 955 HD13 ILE 114 HD13 ILE 114 5.241 5.638 1.258 956 H LYS 115 H LYS 115 5.593 7.642 -2.281 957 HA LYS 115 HA LYS 115 7.234 8.287 -3.873 958 HB2 LYS 115 HB3 LYS 115 4.786 8.828 -4.698 959 HB3 LYS 115 HB2 LYS 115 5.314 10.503 -4.537 960 HG2 LYS 115 HG3 LYS 115 7.345 8.914 -5.865 961 HG3 LYS 115 HG2 LYS 115 5.803 8.789 -6.711 962 HD2 LYS 115 HD3 LYS 115 5.833 10.971 -7.357 963 HD3 LYS 115 HD2 LYS 115 6.496 11.516 -5.816 964 HE2 LYS 115 HE3 LYS 115 8.464 11.796 -6.925 965 HE3 LYS 115 HE2 LYS 115 8.574 10.025 -6.962 966 HZ1 LYS 115 HZ1 LYS 115 8.642 10.955 -9.204 967 HZ2 LYS 115 HZ2 LYS 115 7.140 11.707 -8.951 968 HZ3 LYS 115 HZ3 LYS 115 7.250 10.012 -8.980 Start of MODEL 19 1 H1 GLY 1 H GLY 1 4.709 -12.403 14.333 2 HA2 GLY 1 HA3 GLY 1 4.663 -12.755 11.534 3 HA3 GLY 1 HA2 GLY 1 3.095 -13.291 12.136 4 H SER 2 H SER 2 5.314 -10.518 12.109 5 HA SER 2 HA SER 2 3.032 -8.730 12.839 6 HB2 SER 2 HB3 SER 2 6.037 -8.592 12.942 7 HB3 SER 2 HB2 SER 2 5.087 -7.110 13.002 8 HG SER 2 HG SER 2 4.553 -9.333 14.671 9 H ASP 3 H ASP 3 4.396 -9.959 10.098 10 HA ASP 3 HA ASP 3 4.807 -7.613 8.466 11 HB2 ASP 3 HB3 ASP 3 4.083 -10.487 7.799 12 HB3 ASP 3 HB2 ASP 3 4.708 -9.309 6.646 13 H THR 4 H THR 4 2.011 -9.761 9.016 14 HA THR 4 HA THR 4 0.233 -8.727 7.078 15 HB THR 4 HB THR 4 -0.380 -9.635 9.908 16 HG1 THR 4 HG1 THR 4 0.470 -10.957 7.608 17 HG21 THR 4 HG21 THR 4 -2.325 -10.656 8.325 18 HG22 THR 4 HG22 THR 4 -1.965 -9.171 7.446 19 HG23 THR 4 HG23 THR 4 -2.462 -9.096 9.136 20 H GLN 5 H GLN 5 0.746 -7.643 10.452 21 HA GLN 5 HA GLN 5 -1.169 -5.531 10.451 22 HB2 GLN 5 HB3 GLN 5 1.478 -5.890 11.895 23 HB3 GLN 5 HB2 GLN 5 0.239 -4.723 12.358 24 HG2 GLN 5 HG3 GLN 5 -1.254 -6.381 13.048 25 HG3 GLN 5 HG2 GLN 5 -0.499 -7.619 12.044 26 HE21 GLN 5 HE21 GLN 5 0.093 -9.133 13.675 27 HE22 GLN 5 HE22 GLN 5 1.153 -8.764 14.949 28 H LEU 6 H LEU 6 2.208 -5.656 9.375 29 HA LEU 6 HA LEU 6 2.761 -2.914 9.029 30 HB2 LEU 6 HB3 LEU 6 4.174 -5.064 8.679 31 HB3 LEU 6 HB2 LEU 6 3.511 -5.064 7.045 32 HG LEU 6 HG LEU 6 4.272 -2.522 7.098 33 HD11 LEU 6 HD11 LEU 6 5.539 -1.943 8.862 34 HD12 LEU 6 HD12 LEU 6 6.674 -3.238 8.482 35 HD13 LEU 6 HD13 LEU 6 5.307 -3.551 9.551 36 HD21 LEU 6 HD21 LEU 6 5.309 -4.937 6.073 37 HD22 LEU 6 HD22 LEU 6 6.691 -4.083 6.760 38 HD23 LEU 6 HD23 LEU 6 5.695 -3.303 5.531 39 H PHE 7 H PHE 7 1.169 -5.172 6.758 40 HA PHE 7 HA PHE 7 0.673 -3.136 4.751 41 HB2 PHE 7 HB3 PHE 7 0.444 -5.088 3.628 42 HB3 PHE 7 HB2 PHE 7 0.450 -5.981 5.144 43 HD1 PHE 7 HD1 PHE 7 -1.487 -7.095 5.857 44 HD2 PHE 7 HD2 PHE 7 -1.804 -3.969 2.928 45 HE1 PHE 7 HE1 PHE 7 -3.891 -7.620 5.558 46 HE2 PHE 7 HE2 PHE 7 -4.210 -4.494 2.629 47 HZ PHE 7 HZ PHE 7 -5.254 -6.320 3.945 48 H ASN 8 H ASN 8 -1.134 -4.462 7.488 49 HA ASN 8 HA ASN 8 -3.734 -3.538 6.940 50 HB2 ASN 8 HB3 ASN 8 -2.055 -4.063 9.357 51 HB3 ASN 8 HB2 ASN 8 -3.597 -3.243 9.599 52 HD21 ASN 8 HD21 ASN 8 -3.028 -5.972 10.493 53 HD22 ASN 8 HD22 ASN 8 -4.079 -7.003 9.648 54 H ARG 9 H ARG 9 -1.094 -1.763 8.610 55 HA ARG 9 HA ARG 9 -2.627 0.677 8.853 56 HB2 ARG 9 HB3 ARG 9 -0.468 1.581 9.597 57 HB3 ARG 9 HB2 ARG 9 -0.739 -0.006 10.311 58 HG2 ARG 9 HG3 ARG 9 0.779 -1.058 8.807 59 HG3 ARG 9 HG2 ARG 9 0.824 0.353 7.750 60 HD2 ARG 9 HD3 ARG 9 1.805 0.396 10.623 61 HD3 ARG 9 HD2 ARG 9 2.865 0.151 9.221 62 HE ARG 9 HE ARG 9 1.334 2.408 8.596 63 HH11 ARG 9 HH11 ARG 9 3.501 1.404 11.093 64 HH12 ARG 9 HH12 ARG 9 4.073 3.007 11.416 65 HH21 ARG 9 HH21 ARG 9 2.075 4.497 9.007 66 HH22 ARG 9 HH22 ARG 9 3.266 4.755 10.238 67 H ALA 10 H ALA 10 -0.361 -0.595 6.453 68 HA ALA 10 HA ALA 10 -0.050 1.881 4.977 69 HB1 ALA 10 HB1 ALA 10 0.543 -1.027 4.667 70 HB2 ALA 10 HB2 ALA 10 1.622 0.358 4.506 71 HB3 ALA 10 HB3 ALA 10 0.520 -0.057 3.194 72 H VAL 11 H VAL 11 -2.094 -1.018 4.537 73 HA VAL 11 HA VAL 11 -3.464 -0.005 2.207 74 HB VAL 11 HB VAL 11 -3.099 -2.398 3.473 75 HG11 VAL 11 HG11 VAL 11 -5.259 -3.212 4.279 76 HG12 VAL 11 HG12 VAL 11 -5.989 -1.634 3.983 77 HG13 VAL 11 HG13 VAL 11 -4.757 -1.816 5.233 78 HG21 VAL 11 HG21 VAL 11 -4.442 -1.387 1.181 79 HG22 VAL 11 HG22 VAL 11 -5.479 -2.619 1.901 80 HG23 VAL 11 HG23 VAL 11 -3.822 -3.016 1.446 81 H SER 12 H SER 12 -4.044 0.141 5.696 82 HA SER 12 HA SER 12 -6.757 1.004 5.697 83 HB2 SER 12 HB3 SER 12 -5.373 0.281 7.647 84 HB3 SER 12 HB2 SER 12 -4.463 1.784 7.528 85 HG SER 12 HG SER 12 -6.332 1.688 9.035 86 H MET 13 H MET 13 -3.756 2.970 5.727 87 HA MET 13 HA MET 13 -5.083 5.510 5.535 88 HB2 MET 13 HB3 MET 13 -2.791 6.264 4.903 89 HB3 MET 13 HB2 MET 13 -2.764 5.176 6.291 90 HG2 MET 13 HG3 MET 13 -2.039 3.334 4.958 91 HG3 MET 13 HG2 MET 13 -2.391 4.190 3.457 92 HE1 MET 13 HE1 MET 13 0.999 3.723 5.990 93 HE2 MET 13 HE2 MET 13 -0.674 3.810 6.533 94 HE3 MET 13 HE3 MET 13 0.381 5.207 6.729 95 H VAL 14 H VAL 14 -4.035 3.143 3.132 96 HA VAL 14 HA VAL 14 -4.372 4.877 0.824 97 HB VAL 14 HB VAL 14 -4.147 1.896 1.302 98 HG11 VAL 14 HG11 VAL 14 -4.006 1.575 -1.094 99 HG12 VAL 14 HG12 VAL 14 -4.140 3.310 -1.381 100 HG13 VAL 14 HG13 VAL 14 -5.520 2.411 -0.749 101 HG21 VAL 14 HG21 VAL 14 -2.225 3.609 -0.237 102 HG22 VAL 14 HG22 VAL 14 -1.909 2.165 0.724 103 HG23 VAL 14 HG23 VAL 14 -2.227 3.705 1.523 104 H GLU 15 H GLU 15 -6.331 2.177 2.149 105 HA GLU 15 HA GLU 15 -8.515 2.442 0.328 106 HB2 GLU 15 HB3 GLU 15 -9.663 1.038 1.975 107 HB3 GLU 15 HB2 GLU 15 -7.988 0.508 1.822 108 HG2 GLU 15 HG3 GLU 15 -7.406 1.893 3.812 109 HG3 GLU 15 HG2 GLU 15 -9.112 2.299 3.994 110 H LYS 16 H LYS 16 -7.593 4.303 3.119 111 HA LYS 16 HA LYS 16 -10.279 5.600 3.254 112 HB2 LYS 16 HB3 LYS 16 -9.590 6.282 5.431 113 HB3 LYS 16 HB2 LYS 16 -8.949 4.649 5.257 114 HG2 LYS 16 HG3 LYS 16 -6.752 5.521 4.670 115 HG3 LYS 16 HG2 LYS 16 -7.371 7.173 4.682 116 HD2 LYS 16 HD3 LYS 16 -7.315 5.317 7.080 117 HD3 LYS 16 HD2 LYS 16 -6.183 6.638 6.788 118 HE2 LYS 16 HE3 LYS 16 -7.643 8.003 7.861 119 HE3 LYS 16 HE2 LYS 16 -8.758 7.771 6.499 120 HZ1 LYS 16 HZ1 LYS 16 -9.839 7.020 8.485 121 HZ2 LYS 16 HZ2 LYS 16 -8.509 6.053 8.911 122 HZ3 LYS 16 HZ3 LYS 16 -9.450 5.657 7.553 123 H ASN 17 H ASN 17 -7.119 6.040 1.998 124 HA ASN 17 HA ASN 17 -6.481 8.713 2.147 125 HB2 ASN 17 HB3 ASN 17 -5.813 6.545 0.587 126 HB3 ASN 17 HB2 ASN 17 -6.489 7.657 -0.605 127 HD21 ASN 17 HD21 ASN 17 -5.184 9.406 -1.251 128 HD22 ASN 17 HD22 ASN 17 -3.709 9.816 -0.520 129 H LYS 18 H LYS 18 -7.521 10.596 1.668 130 HA LYS 18 HA LYS 18 -10.212 10.683 0.649 131 HB2 LYS 18 HB3 LYS 18 -8.113 12.873 0.786 132 HB3 LYS 18 HB2 LYS 18 -9.863 13.089 0.813 133 HG2 LYS 18 HG3 LYS 18 -10.049 12.436 3.001 134 HG3 LYS 18 HG2 LYS 18 -8.727 11.278 2.874 135 HD2 LYS 18 HD3 LYS 18 -7.985 13.078 4.301 136 HD3 LYS 18 HD2 LYS 18 -7.131 13.224 2.765 137 HE2 LYS 18 HE3 LYS 18 -9.577 14.671 2.506 138 HE3 LYS 18 HE2 LYS 18 -8.810 15.171 4.026 139 HZ1 LYS 18 HZ1 LYS 18 -7.179 14.799 1.603 140 HZ2 LYS 18 HZ2 LYS 18 -6.869 15.767 2.965 141 HZ3 LYS 18 HZ3 LYS 18 -8.030 16.249 1.823 142 H ASP 19 H ASP 19 -7.061 11.485 -0.779 143 HA ASP 19 HA ASP 19 -7.971 12.368 -3.328 144 HB2 ASP 19 HB3 ASP 19 -5.462 11.188 -2.172 145 HB3 ASP 19 HB2 ASP 19 -5.562 11.451 -3.913 146 H ILE 20 H ILE 20 -7.127 9.096 -2.173 147 HA ILE 20 HA ILE 20 -7.533 7.816 -4.742 148 HB ILE 20 HB ILE 20 -7.544 6.759 -1.895 149 HG12 ILE 20 HG13 ILE 20 -5.468 7.941 -2.467 150 HG13 ILE 20 HG12 ILE 20 -5.173 6.203 -2.398 151 HG21 ILE 20 HG21 ILE 20 -7.075 4.592 -2.889 152 HG22 ILE 20 HG22 ILE 20 -7.019 5.300 -4.503 153 HG23 ILE 20 HG23 ILE 20 -8.546 5.231 -3.622 154 HD11 ILE 20 HD11 ILE 20 -5.647 7.839 -4.907 155 HD12 ILE 20 HD12 ILE 20 -5.453 6.087 -4.871 156 HD13 ILE 20 HD13 ILE 20 -4.113 7.133 -4.398 157 H ARG 21 H ARG 21 -9.587 8.534 -1.950 158 HA ARG 21 HA ARG 21 -11.794 6.861 -2.412 159 HB2 ARG 21 HB3 ARG 21 -11.745 8.261 -0.489 160 HB3 ARG 21 HB2 ARG 21 -11.493 9.715 -1.457 161 HG2 ARG 21 HG3 ARG 21 -13.725 9.717 -2.248 162 HG3 ARG 21 HG2 ARG 21 -13.989 8.044 -1.755 163 HD2 ARG 21 HD3 ARG 21 -14.532 8.644 0.376 164 HD3 ARG 21 HD2 ARG 21 -13.228 9.846 0.462 165 HE ARG 21 HE ARG 21 -15.954 10.413 -0.289 166 HH11 ARG 21 HH11 ARG 21 -12.649 11.107 -1.009 167 HH12 ARG 21 HH12 ARG 21 -12.983 12.680 -1.646 168 HH21 ARG 21 HH21 ARG 21 -16.404 12.458 -1.132 169 HH22 ARG 21 HH22 ARG 21 -15.107 13.446 -1.715 170 H SER 22 H SER 22 -10.908 9.895 -4.040 171 HA SER 22 HA SER 22 -13.318 10.122 -5.616 172 HB2 SER 22 HB3 SER 22 -12.279 12.092 -6.016 173 HB3 SER 22 HB2 SER 22 -10.879 11.503 -5.128 174 HG SER 22 HG SER 22 -10.080 10.647 -7.047 175 H LEU 23 H LEU 23 -10.288 8.372 -6.000 176 HA LEU 23 HA LEU 23 -10.631 7.748 -8.819 177 HB2 LEU 23 HB3 LEU 23 -9.047 6.308 -6.666 178 HB3 LEU 23 HB2 LEU 23 -8.735 6.280 -8.401 179 HG LEU 23 HG LEU 23 -8.620 8.762 -6.665 180 HD11 LEU 23 HD11 LEU 23 -6.273 8.558 -6.653 181 HD12 LEU 23 HD12 LEU 23 -6.278 7.396 -7.979 182 HD13 LEU 23 HD13 LEU 23 -6.821 6.905 -6.375 183 HD21 LEU 23 HD21 LEU 23 -7.947 9.926 -8.589 184 HD22 LEU 23 HD22 LEU 23 -9.192 8.850 -9.222 185 HD23 LEU 23 HD23 LEU 23 -7.489 8.450 -9.437 186 H LEU 24 H LEU 24 -11.224 5.994 -5.771 187 HA LEU 24 HA LEU 24 -12.492 3.745 -7.205 188 HB2 LEU 24 HB3 LEU 24 -11.431 4.399 -4.541 189 HB3 LEU 24 HB2 LEU 24 -12.903 3.430 -4.484 190 HG LEU 24 HG LEU 24 -11.015 1.917 -4.580 191 HD11 LEU 24 HD11 LEU 24 -11.797 1.775 -7.433 192 HD12 LEU 24 HD12 LEU 24 -13.138 1.826 -6.289 193 HD13 LEU 24 HD13 LEU 24 -11.924 0.552 -6.169 194 HD21 LEU 24 HD21 LEU 24 -9.852 2.318 -7.088 195 HD22 LEU 24 HD22 LEU 24 -9.128 2.724 -5.531 196 HD23 LEU 24 HD23 LEU 24 -10.026 3.945 -6.432 197 H GLN 25 H GLN 25 -13.447 6.781 -6.006 198 HA GLN 25 HA GLN 25 -15.577 7.758 -5.698 199 HB2 GLN 25 HB3 GLN 25 -16.470 5.251 -7.153 200 HB3 GLN 25 HB2 GLN 25 -17.296 6.810 -7.121 201 HG2 GLN 25 HG3 GLN 25 -15.332 7.845 -8.241 202 HG3 GLN 25 HG2 GLN 25 -14.575 6.254 -8.337 203 HE21 GLN 25 HE21 GLN 25 -15.495 4.685 -9.833 204 HE22 GLN 25 HE22 GLN 25 -16.614 5.143 -11.024 205 H CYS 26 H CYS 26 -14.515 5.833 -3.672 206 HA CYS 26 HA CYS 26 -16.906 4.396 -2.695 207 HB2 CYS 26 HB3 CYS 26 -15.311 3.557 -1.028 208 HB3 CYS 26 HB2 CYS 26 -14.596 3.458 -2.637 209 HG CYS 26 HG CYS 26 -13.938 5.945 -0.878 210 H ASP 27 H ASP 27 -17.256 4.693 -0.183 211 HA ASP 27 HA ASP 27 -17.630 7.612 0.296 212 HB2 ASP 27 HB3 ASP 27 -19.119 5.198 0.682 213 HB3 ASP 27 HB2 ASP 27 -18.844 5.928 2.264 214 H ASP 28 H ASP 28 -16.938 8.564 2.287 215 HA ASP 28 HA ASP 28 -15.621 7.078 4.392 216 HB2 ASP 28 HB3 ASP 28 -13.973 6.800 2.583 217 HB3 ASP 28 HB2 ASP 28 -13.919 8.548 2.350 218 H GLY 29 H GLY 29 -17.298 8.668 5.279 219 HA2 GLY 29 HA3 GLY 29 -15.912 11.177 6.028 220 HA3 GLY 29 HA2 GLY 29 -17.500 11.330 5.276 221 H ILE 30 H ILE 30 -17.410 12.351 7.734 222 HA ILE 30 HA ILE 30 -17.808 10.549 9.930 223 HB ILE 30 HB ILE 30 -17.253 13.014 9.963 224 HG12 ILE 30 HG13 ILE 30 -19.715 12.176 11.531 225 HG13 ILE 30 HG12 ILE 30 -18.046 11.823 11.986 226 HG21 ILE 30 HG21 ILE 30 -18.814 14.629 9.394 227 HG22 ILE 30 HG22 ILE 30 -20.184 13.574 9.739 228 HG23 ILE 30 HG23 ILE 30 -19.261 13.362 8.252 229 HD11 ILE 30 HD11 ILE 30 -18.804 13.790 13.212 230 HD12 ILE 30 HD12 ILE 30 -19.290 14.573 11.709 231 HD13 ILE 30 HD13 ILE 30 -17.583 14.276 12.036 232 H THR 31 H THR 31 -19.902 11.578 7.337 233 HA THR 31 HA THR 31 -22.378 10.813 8.753 234 HB THR 31 HB THR 31 -23.443 11.773 6.893 235 HG1 THR 31 HG1 THR 31 -22.752 10.660 5.198 236 HG21 THR 31 HG21 THR 31 -20.928 13.222 6.328 237 HG22 THR 31 HG22 THR 31 -21.415 13.180 8.023 238 HG23 THR 31 HG23 THR 31 -22.506 13.848 6.808 239 H GLY 32 H GLY 32 -20.046 9.377 6.583 240 HA2 GLY 32 HA3 GLY 32 -21.125 6.754 6.928 241 HA3 GLY 32 HA2 GLY 32 -21.634 7.390 5.364 242 H LYS 33 H LYS 33 -19.543 5.293 6.373 243 HA LYS 33 HA LYS 33 -17.348 6.259 4.574 244 HB2 LYS 33 HB3 LYS 33 -17.099 4.575 7.087 245 HB3 LYS 33 HB2 LYS 33 -15.775 5.251 6.135 246 HG2 LYS 33 HG3 LYS 33 -15.889 7.164 7.309 247 HG3 LYS 33 HG2 LYS 33 -17.568 7.377 6.809 248 HD2 LYS 33 HD3 LYS 33 -17.132 5.357 8.928 249 HD3 LYS 33 HD2 LYS 33 -16.804 7.025 9.398 250 HE2 LYS 33 HE3 LYS 33 -19.036 7.719 8.719 251 HE3 LYS 33 HE2 LYS 33 -19.375 6.107 8.060 252 HZ1 LYS 33 HZ1 LYS 33 -18.776 6.785 10.890 253 HZ2 LYS 33 HZ2 LYS 33 -18.885 5.198 10.293 254 HZ3 LYS 33 HZ3 LYS 33 -20.248 6.211 10.275 255 H GLU 34 H GLU 34 -16.238 4.502 3.426 256 HA GLU 34 HA GLU 34 -18.001 2.116 3.051 257 HB2 GLU 34 HB3 GLU 34 -17.708 3.364 1.049 258 HB3 GLU 34 HB2 GLU 34 -15.986 3.599 1.354 259 HG2 GLU 34 HG3 GLU 34 -16.365 1.878 -0.385 260 HG3 GLU 34 HG2 GLU 34 -15.588 1.192 1.043 261 H ARG 35 H ARG 35 -17.135 0.042 3.266 262 HA ARG 35 HA ARG 35 -14.481 -0.140 4.599 263 HB2 ARG 35 HB3 ARG 35 -16.649 -1.096 5.529 264 HB3 ARG 35 HB2 ARG 35 -16.618 -2.253 4.196 265 HG2 ARG 35 HG3 ARG 35 -14.083 -2.015 5.702 266 HG3 ARG 35 HG2 ARG 35 -15.432 -2.696 6.613 267 HD2 ARG 35 HD3 ARG 35 -15.587 -4.567 5.246 268 HD3 ARG 35 HD2 ARG 35 -14.948 -3.710 3.830 269 HE ARG 35 HE ARG 35 -12.767 -4.238 4.569 270 HH11 ARG 35 HH11 ARG 35 -15.090 -4.538 7.107 271 HH12 ARG 35 HH12 ARG 35 -13.956 -5.189 8.243 272 HH21 ARG 35 HH21 ARG 35 -11.282 -5.091 6.041 273 HH22 ARG 35 HH22 ARG 35 -11.804 -5.503 7.640 274 H LEU 36 H LEU 36 -12.762 -0.726 3.355 275 HA LEU 36 HA LEU 36 -13.279 -2.204 0.806 276 HB2 LEU 36 HB3 LEU 36 -10.938 -0.500 1.702 277 HB3 LEU 36 HB2 LEU 36 -11.177 -1.166 0.085 278 HG LEU 36 HG LEU 36 -13.345 0.508 1.304 279 HD11 LEU 36 HD11 LEU 36 -10.654 1.407 0.408 280 HD12 LEU 36 HD12 LEU 36 -11.739 2.120 1.603 281 HD13 LEU 36 HD13 LEU 36 -12.038 2.366 -0.117 282 HD21 LEU 36 HD21 LEU 36 -12.719 0.981 -1.466 283 HD22 LEU 36 HD22 LEU 36 -14.184 0.282 -0.776 284 HD23 LEU 36 HD23 LEU 36 -12.818 -0.757 -1.185 285 H LYS 37 H LYS 37 -12.039 -4.040 0.331 286 HA LYS 37 HA LYS 37 -10.517 -5.206 2.635 287 HB2 LYS 37 HB3 LYS 37 -11.995 -6.556 0.351 288 HB3 LYS 37 HB2 LYS 37 -11.276 -7.361 1.746 289 HG2 LYS 37 HG3 LYS 37 -12.895 -5.410 2.889 290 HG3 LYS 37 HG2 LYS 37 -13.848 -5.992 1.524 291 HD2 LYS 37 HD3 LYS 37 -12.715 -8.293 2.693 292 HD3 LYS 37 HD2 LYS 37 -13.292 -7.309 4.039 293 HE2 LYS 37 HE3 LYS 37 -15.432 -7.041 2.456 294 HE3 LYS 37 HE2 LYS 37 -14.851 -8.601 1.838 295 HZ1 LYS 37 HZ1 LYS 37 -14.573 -9.239 4.254 296 HZ2 LYS 37 HZ2 LYS 37 -16.173 -9.129 3.692 297 HZ3 LYS 37 HZ3 LYS 37 -15.513 -7.879 4.635 298 H ALA 38 H ALA 38 -8.407 -5.775 2.251 299 HA ALA 38 HA ALA 38 -7.454 -6.000 -0.574 300 HB1 ALA 38 HB1 ALA 38 -5.742 -4.399 -0.186 301 HB2 ALA 38 HB2 ALA 38 -5.962 -4.469 1.563 302 HB3 ALA 38 HB3 ALA 38 -7.176 -3.684 0.553 303 H TYR 39 H TYR 39 -5.360 -7.154 -0.705 304 HA TYR 39 HA TYR 39 -4.464 -8.571 1.746 305 HB2 TYR 39 HB3 TYR 39 -4.722 -10.751 0.397 306 HB3 TYR 39 HB2 TYR 39 -6.209 -10.014 0.995 307 HD1 TYR 39 HD1 TYR 39 -7.576 -8.555 -0.554 308 HD2 TYR 39 HD2 TYR 39 -4.319 -10.989 -1.939 309 HE1 TYR 39 HE1 TYR 39 -8.425 -8.368 -2.876 310 HE2 TYR 39 HE2 TYR 39 -5.169 -10.803 -4.261 311 HH TYR 39 HH TYR 39 -8.282 -9.522 -4.982 312 H GLY 40 H GLY 40 -2.511 -10.018 1.133 313 HA2 GLY 40 HA3 GLY 40 -0.682 -8.424 -0.489 314 HA3 GLY 40 HA2 GLY 40 -0.274 -9.900 0.385 315 H GLU 41 H GLU 41 0.906 -10.258 -1.758 316 HA GLU 41 HA GLU 41 -0.862 -11.870 -3.538 317 HB2 GLU 41 HB3 GLU 41 0.867 -9.499 -4.239 318 HB3 GLU 41 HB2 GLU 41 0.494 -10.727 -5.449 319 HG2 GLU 41 HG3 GLU 41 -1.927 -10.051 -4.079 320 HG3 GLU 41 HG2 GLU 41 -1.145 -8.558 -4.598 321 H LEU 42 H LEU 42 0.167 -13.750 -4.193 322 HA LEU 42 HA LEU 42 2.970 -14.047 -4.649 323 HB2 LEU 42 HB3 LEU 42 2.432 -13.655 -2.005 324 HB3 LEU 42 HB2 LEU 42 2.347 -15.415 -2.093 325 HG LEU 42 HG LEU 42 4.609 -14.495 -3.619 326 HD11 LEU 42 HD11 LEU 42 5.430 -13.900 -0.936 327 HD12 LEU 42 HD12 LEU 42 4.056 -12.873 -1.342 328 HD13 LEU 42 HD13 LEU 42 5.497 -12.858 -2.357 329 HD21 LEU 42 HD21 LEU 42 3.901 -16.430 -1.536 330 HD22 LEU 42 HD22 LEU 42 5.537 -15.798 -1.348 331 HD23 LEU 42 HD23 LEU 42 5.060 -16.580 -2.856 332 H ILE 43 H ILE 43 2.586 -15.558 -6.248 333 HA ILE 43 HA ILE 43 1.388 -18.154 -5.414 334 HB ILE 43 HB ILE 43 0.097 -18.031 -7.647 335 HG12 ILE 43 HG13 ILE 43 -0.148 -15.156 -7.525 336 HG13 ILE 43 HG12 ILE 43 1.539 -15.598 -7.793 337 HG21 ILE 43 HG21 ILE 43 -1.755 -17.301 -6.491 338 HG22 ILE 43 HG22 ILE 43 -0.910 -15.914 -5.801 339 HG23 ILE 43 HG23 ILE 43 -0.653 -17.526 -5.132 340 HD11 ILE 43 HD11 ILE 43 1.010 -15.935 -9.959 341 HD12 ILE 43 HD12 ILE 43 -0.714 -15.771 -9.622 342 HD13 ILE 43 HD13 ILE 43 0.076 -17.337 -9.434 343 H THR 44 H THR 44 2.464 -19.865 -6.352 344 HA THR 44 HA THR 44 3.747 -19.802 -8.927 345 HB THR 44 HB THR 44 5.150 -18.181 -7.610 346 HG1 THR 44 HG1 THR 44 6.784 -18.887 -8.713 347 HG21 THR 44 HG21 THR 44 6.046 -20.613 -6.057 348 HG22 THR 44 HG22 THR 44 4.815 -19.505 -5.450 349 HG23 THR 44 HG23 THR 44 6.451 -18.923 -5.756 350 H ASN 45 H ASN 45 2.155 -21.591 -7.153 351 HA ASN 45 HA ASN 45 3.801 -24.024 -7.516 352 HB2 ASN 45 HB3 ASN 45 3.601 -24.649 -5.162 353 HB3 ASN 45 HB2 ASN 45 4.344 -23.053 -5.270 354 HD21 ASN 45 HD21 ASN 45 3.056 -21.188 -4.608 355 HD22 ASN 45 HD22 ASN 45 1.614 -21.376 -3.732 356 H ASP 46 H ASP 46 2.013 -25.577 -5.779 357 HA ASP 46 HA ASP 46 -0.531 -25.363 -7.357 358 HB2 ASP 46 HB3 ASP 46 0.851 -27.859 -6.327 359 HB3 ASP 46 HB2 ASP 46 -0.527 -27.789 -7.426 360 H LYS 47 H LYS 47 -2.458 -25.772 -6.205 361 HA LYS 47 HA LYS 47 -3.818 -25.578 -4.265 362 HB2 LYS 47 HB3 LYS 47 -1.911 -27.740 -3.343 363 HB3 LYS 47 HB2 LYS 47 -3.633 -27.599 -2.990 364 HG2 LYS 47 HG3 LYS 47 -2.396 -28.134 -5.706 365 HG3 LYS 47 HG2 LYS 47 -3.293 -29.288 -4.722 366 HD2 LYS 47 HD3 LYS 47 -5.334 -28.081 -4.987 367 HD3 LYS 47 HD2 LYS 47 -4.499 -26.673 -5.643 368 HE2 LYS 47 HE3 LYS 47 -5.147 -27.600 -7.653 369 HE3 LYS 47 HE2 LYS 47 -3.689 -28.580 -7.415 370 HZ1 LYS 47 HZ1 LYS 47 -6.057 -29.467 -5.988 371 HZ2 LYS 47 HZ2 LYS 47 -4.876 -30.377 -6.801 372 HZ3 LYS 47 HZ3 LYS 47 -6.128 -29.631 -7.674 373 H TRP 48 H TRP 48 -3.170 -26.154 -1.582 374 HA TRP 48 HA TRP 48 -2.412 -24.982 0.326 375 HB2 TRP 48 HB3 TRP 48 0.028 -25.053 -1.473 376 HB3 TRP 48 HB2 TRP 48 0.072 -24.690 0.253 377 HD1 TRP 48 HD1 TRP 48 -1.886 -26.774 1.411 378 HE1 TRP 48 HE1 TRP 48 -1.352 -29.294 1.341 379 HE3 TRP 48 HE3 TRP 48 1.518 -26.845 -2.396 380 HZ2 TRP 48 HZ2 TRP 48 0.304 -31.104 -0.136 381 HZ3 TRP 48 HZ3 TRP 48 2.556 -28.978 -3.113 382 HH2 TRP 48 HH2 TRP 48 1.955 -31.105 -1.990 383 H THR 49 H THR 49 -3.852 -23.306 -1.340 384 HA THR 49 HA THR 49 -2.276 -20.752 -1.286 385 HB THR 49 HB THR 49 -4.330 -20.300 -3.017 386 HG1 THR 49 HG1 THR 49 -5.219 -22.173 -3.344 387 HG21 THR 49 HG21 THR 49 -1.542 -20.738 -3.150 388 HG22 THR 49 HG22 THR 49 -2.562 -19.964 -4.362 389 HG23 THR 49 HG23 THR 49 -2.254 -21.699 -4.446 390 H ARG 50 H ARG 50 -5.737 -21.328 -1.726 391 HA ARG 50 HA ARG 50 -7.502 -20.043 -0.689 392 HB2 ARG 50 HB3 ARG 50 -8.035 -21.330 1.304 393 HB3 ARG 50 HB2 ARG 50 -7.297 -22.408 0.119 394 HG2 ARG 50 HG3 ARG 50 -5.622 -22.898 1.538 395 HG3 ARG 50 HG2 ARG 50 -5.243 -21.190 1.737 396 HD2 ARG 50 HD3 ARG 50 -5.882 -22.315 3.897 397 HD3 ARG 50 HD2 ARG 50 -6.961 -20.972 3.473 398 HE ARG 50 HE ARG 50 -7.884 -23.453 2.309 399 HH11 ARG 50 HH11 ARG 50 -7.702 -21.604 5.222 400 HH12 ARG 50 HH12 ARG 50 -9.131 -22.302 5.905 401 HH21 ARG 50 HH21 ARG 50 -9.750 -24.366 3.191 402 HH22 ARG 50 HH22 ARG 50 -10.288 -23.863 4.758 403 H ASN 51 H ASN 51 -5.886 -18.009 -0.679 404 HA ASN 51 HA ASN 51 -5.307 -16.059 0.537 405 HB2 ASN 51 HB3 ASN 51 -7.453 -17.353 1.835 406 HB3 ASN 51 HB2 ASN 51 -6.318 -16.924 3.114 407 HD21 ASN 51 HD21 ASN 51 -6.941 -15.166 0.042 408 HD22 ASN 51 HD22 ASN 51 -7.459 -13.732 0.792 409 H ARG 52 H ARG 52 -3.022 -16.710 0.427 410 HA ARG 52 HA ARG 52 -1.887 -18.304 2.625 411 HB2 ARG 52 HB3 ARG 52 -1.142 -17.247 -0.001 412 HB3 ARG 52 HB2 ARG 52 0.166 -17.111 1.176 413 HG2 ARG 52 HG3 ARG 52 -0.465 -19.585 1.769 414 HG3 ARG 52 HG2 ARG 52 -1.226 -19.580 0.178 415 HD2 ARG 52 HD3 ARG 52 0.785 -19.751 -0.853 416 HD3 ARG 52 HD2 ARG 52 1.431 -18.383 0.075 417 HE ARG 52 HE ARG 52 1.301 -20.423 1.939 418 HH11 ARG 52 HH11 ARG 52 2.660 -20.037 -1.213 419 HH12 ARG 52 HH12 ARG 52 3.966 -21.136 -0.925 420 HH21 ARG 52 HH21 ARG 52 3.002 -21.854 2.327 421 HH22 ARG 52 HH22 ARG 52 4.161 -22.164 1.077 422 HA PRO 53 HA PRO 53 -0.686 -15.049 5.302 423 HB2 PRO 53 HB3 PRO 53 1.940 -15.691 5.861 424 HB3 PRO 53 HB2 PRO 53 0.543 -16.518 6.577 425 HG2 PRO 53 HG3 PRO 53 2.297 -17.359 4.335 426 HG3 PRO 53 HG2 PRO 53 1.534 -18.331 5.602 427 HD2 PRO 53 HD3 PRO 53 0.601 -18.210 3.050 428 HD3 PRO 53 HD2 PRO 53 -0.442 -18.514 4.457 429 H ILE 54 H ILE 54 0.707 -13.127 5.452 430 HA ILE 54 HA ILE 54 1.515 -12.119 2.826 431 HB ILE 54 HB ILE 54 1.508 -11.026 5.653 432 HG12 ILE 54 HG13 ILE 54 -0.711 -11.409 4.726 433 HG13 ILE 54 HG12 ILE 54 -0.390 -9.675 4.727 434 HG21 ILE 54 HG21 ILE 54 2.345 -9.015 4.919 435 HG22 ILE 54 HG22 ILE 54 1.706 -9.223 3.288 436 HG23 ILE 54 HG23 ILE 54 3.175 -10.068 3.774 437 HD11 ILE 54 HD11 ILE 54 0.508 -10.081 2.313 438 HD12 ILE 54 HD12 ILE 54 -1.238 -10.044 2.567 439 HD13 ILE 54 HD13 ILE 54 -0.403 -11.589 2.403 440 H VAL 55 H VAL 55 3.583 -12.113 2.046 441 HA VAL 55 HA VAL 55 5.805 -12.810 3.936 442 HB VAL 55 HB VAL 55 5.168 -13.451 1.061 443 HG11 VAL 55 HG11 VAL 55 7.571 -14.497 1.127 444 HG12 VAL 55 HG12 VAL 55 7.877 -13.275 2.360 445 HG13 VAL 55 HG13 VAL 55 7.391 -12.787 0.737 446 HG21 VAL 55 HG21 VAL 55 4.704 -15.436 2.017 447 HG22 VAL 55 HG22 VAL 55 5.209 -14.819 3.589 448 HG23 VAL 55 HG23 VAL 55 6.390 -15.569 2.515 449 H SER 56 H SER 56 7.767 -11.598 3.733 450 HA SER 56 HA SER 56 7.563 -9.115 2.056 451 HB2 SER 56 HB3 SER 56 9.234 -8.857 4.408 452 HB3 SER 56 HB2 SER 56 7.809 -7.925 3.962 453 HG SER 56 HG SER 56 6.727 -9.041 5.364 454 H THR 57 H THR 57 9.453 -8.492 0.980 455 HA THR 57 HA THR 57 11.638 -10.520 0.973 456 HB THR 57 HB THR 57 12.082 -9.664 -1.250 457 HG1 THR 57 HG1 THR 57 10.943 -7.839 -1.993 458 HG21 THR 57 HG21 THR 57 10.247 -10.612 -2.183 459 HG22 THR 57 HG22 THR 57 9.153 -9.462 -1.414 460 HG23 THR 57 HG23 THR 57 9.725 -10.870 -0.519 461 H LYS 58 H LYS 58 13.766 -9.900 1.438 462 HA LYS 58 HA LYS 58 14.228 -7.015 2.103 463 HB2 LYS 58 HB3 LYS 58 15.501 -7.820 4.071 464 HB3 LYS 58 HB2 LYS 58 13.827 -8.369 4.127 465 HG2 LYS 58 HG3 LYS 58 15.003 -10.408 2.732 466 HG3 LYS 58 HG2 LYS 58 16.311 -9.935 3.818 467 HD2 LYS 58 HD3 LYS 58 13.475 -10.538 4.707 468 HD3 LYS 58 HD2 LYS 58 14.820 -11.675 4.814 469 HE2 LYS 58 HE3 LYS 58 15.374 -10.757 6.809 470 HE3 LYS 58 HE2 LYS 58 15.708 -9.226 5.974 471 HZ1 LYS 58 HZ1 LYS 58 12.926 -10.032 6.504 472 HZ2 LYS 58 HZ2 LYS 58 13.569 -8.473 6.288 473 HZ3 LYS 58 HZ3 LYS 58 13.833 -9.311 7.742 474 H LYS 59 H LYS 59 15.971 -6.230 0.979 475 HA LYS 59 HA LYS 59 18.096 -8.176 0.131 476 HB2 LYS 59 HB3 LYS 59 16.486 -6.132 -1.355 477 HB3 LYS 59 HB2 LYS 59 18.153 -6.404 -1.863 478 HG2 LYS 59 HG3 LYS 59 16.978 -7.963 -3.158 479 HG3 LYS 59 HG2 LYS 59 17.503 -8.935 -1.783 480 HD2 LYS 59 HD3 LYS 59 15.373 -9.342 -1.178 481 HD3 LYS 59 HD2 LYS 59 14.992 -7.619 -1.190 482 HE2 LYS 59 HE3 LYS 59 13.668 -9.073 -2.849 483 HE3 LYS 59 HE2 LYS 59 14.489 -7.664 -3.550 484 HZ1 LYS 59 HZ1 LYS 59 14.851 -10.159 -4.433 485 HZ2 LYS 59 HZ2 LYS 59 16.102 -10.062 -3.288 486 HZ3 LYS 59 HZ3 LYS 59 16.024 -8.941 -4.562 487 H LEU 60 H LEU 60 20.175 -7.482 0.566 488 HA LEU 60 HA LEU 60 20.511 -4.646 1.483 489 HB2 LEU 60 HB3 LEU 60 22.499 -5.910 2.763 490 HB3 LEU 60 HB2 LEU 60 20.873 -5.832 3.433 491 HG LEU 60 HG LEU 60 20.379 -8.038 2.345 492 HD11 LEU 60 HD11 LEU 60 21.823 -8.443 0.610 493 HD12 LEU 60 HD12 LEU 60 22.760 -9.227 1.882 494 HD13 LEU 60 HD13 LEU 60 23.155 -7.582 1.381 495 HD21 LEU 60 HD21 LEU 60 22.745 -8.736 3.919 496 HD22 LEU 60 HD22 LEU 60 21.042 -9.028 4.269 497 HD23 LEU 60 HD23 LEU 60 21.774 -7.479 4.684 498 H ASP 61 H ASP 61 22.171 -3.504 0.523 499 HA ASP 61 HA ASP 61 23.653 -4.840 -1.675 500 HB2 ASP 61 HB3 ASP 61 22.861 -2.082 -0.852 501 HB3 ASP 61 HB2 ASP 61 24.325 -2.238 -1.823 502 H LYS 62 H LYS 62 25.984 -3.500 -1.837 503 HA LYS 62 HA LYS 62 27.671 -4.677 0.140 504 HB2 LYS 62 HB3 LYS 62 28.618 -4.176 -1.955 505 HB3 LYS 62 HB2 LYS 62 27.925 -2.555 -1.983 506 HG2 LYS 62 HG3 LYS 62 30.424 -2.646 -1.536 507 HG3 LYS 62 HG2 LYS 62 29.482 -1.771 -0.328 508 HD2 LYS 62 HD3 LYS 62 29.364 -4.169 0.815 509 HD3 LYS 62 HD2 LYS 62 30.841 -4.428 -0.112 510 HE2 LYS 62 HE3 LYS 62 30.621 -1.866 1.418 511 HE3 LYS 62 HE2 LYS 62 30.930 -3.354 2.335 512 HZ1 LYS 62 HZ1 LYS 62 32.527 -2.156 0.165 513 HZ2 LYS 62 HZ2 LYS 62 32.600 -3.829 0.451 514 HZ3 LYS 62 HZ3 LYS 62 33.044 -2.734 1.673 515 H GLU 63 H GLU 63 25.788 -1.817 0.217 516 HA GLU 63 HA GLU 63 27.414 -0.354 2.156 517 HB2 GLU 63 HB3 GLU 63 24.753 -0.103 0.802 518 HB3 GLU 63 HB2 GLU 63 25.048 0.869 2.244 519 HG2 GLU 63 HG3 GLU 63 27.033 0.781 -0.028 520 HG3 GLU 63 HG2 GLU 63 25.683 1.916 -0.026 521 H GLY 64 H GLY 64 25.198 -2.955 2.311 522 HA2 GLY 64 HA3 GLY 64 24.582 -4.196 4.237 523 HA3 GLY 64 HA2 GLY 64 25.311 -2.941 5.240 524 H ARG 65 H ARG 65 23.247 -1.643 2.885 525 HA ARG 65 HA ARG 65 21.301 -0.858 4.942 526 HB2 ARG 65 HB3 ARG 65 22.364 0.210 2.600 527 HB3 ARG 65 HB2 ARG 65 20.712 -0.210 2.147 528 HG2 ARG 65 HG3 ARG 65 19.797 1.113 3.935 529 HG3 ARG 65 HG2 ARG 65 21.391 1.349 4.652 530 HD2 ARG 65 HD3 ARG 65 22.013 2.449 2.369 531 HD3 ARG 65 HD2 ARG 65 20.257 2.581 2.143 532 HE ARG 65 HE ARG 65 20.909 3.452 4.784 533 HH11 ARG 65 HH11 ARG 65 21.265 4.334 1.465 534 HH12 ARG 65 HH12 ARG 65 21.302 6.034 1.786 535 HH21 ARG 65 HH21 ARG 65 20.951 5.667 5.218 536 HH22 ARG 65 HH22 ARG 65 21.125 6.791 3.911 537 H THR 66 H THR 66 19.482 -2.050 5.355 538 HA THR 66 HA THR 66 18.744 -4.306 3.636 539 HB THR 66 HB THR 66 17.670 -3.074 6.185 540 HG1 THR 66 HG1 THR 66 18.804 -5.621 5.766 541 HG21 THR 66 HG21 THR 66 15.721 -4.078 5.522 542 HG22 THR 66 HG22 THR 66 16.533 -5.518 6.137 543 HG23 THR 66 HG23 THR 66 16.540 -5.171 4.408 544 H HIS 67 H HIS 67 17.119 -4.321 2.137 545 HA HIS 67 HA HIS 67 15.371 -1.886 1.923 546 HB2 HIS 67 HB3 HIS 67 17.222 -3.050 0.153 547 HB3 HIS 67 HB2 HIS 67 15.642 -3.522 -0.470 548 HD1 HIS 67 HD1 HIS 67 15.343 -1.897 -2.369 549 HD2 HIS 67 HD2 HIS 67 16.468 0.005 1.163 550 HE1 HIS 67 HE1 HIS 67 15.176 0.593 -2.813 551 H HIS 68 H HIS 68 13.128 -2.290 1.699 552 HA HIS 68 HA HIS 68 12.301 -5.175 1.658 553 HB2 HIS 68 HB3 HIS 68 12.074 -4.381 3.902 554 HB3 HIS 68 HB2 HIS 68 11.384 -2.849 3.364 555 HD1 HIS 68 HD1 HIS 68 9.007 -2.919 4.166 556 HD2 HIS 68 HD2 HIS 68 10.139 -6.502 2.363 557 HE1 HIS 68 HE1 HIS 68 6.919 -4.348 4.039 558 H TYR 69 H TYR 69 10.600 -5.646 0.288 559 HA TYR 69 HA TYR 69 9.250 -3.342 -1.086 560 HB2 TYR 69 HB3 TYR 69 10.171 -6.047 -2.115 561 HB3 TYR 69 HB2 TYR 69 9.202 -4.916 -3.058 562 HD1 TYR 69 HD1 TYR 69 10.125 -2.582 -3.495 563 HD2 TYR 69 HD2 TYR 69 12.520 -5.791 -1.940 564 HE1 TYR 69 HE1 TYR 69 12.182 -1.370 -4.163 565 HE2 TYR 69 HE2 TYR 69 14.577 -4.579 -2.610 566 HH TYR 69 HH TYR 69 14.978 -2.610 -4.619 567 H MET 70 H MET 70 7.047 -3.368 -0.756 568 HA MET 70 HA MET 70 5.724 -6.010 -0.270 569 HB2 MET 70 HB3 MET 70 6.352 -4.571 1.797 570 HB3 MET 70 HB2 MET 70 5.055 -3.500 1.265 571 HG2 MET 70 HG3 MET 70 3.464 -4.911 2.018 572 HG3 MET 70 HG2 MET 70 4.225 -6.292 1.228 573 HE1 MET 70 HE1 MET 70 5.583 -8.316 3.863 574 HE2 MET 70 HE2 MET 70 5.590 -7.926 2.145 575 HE3 MET 70 HE3 MET 70 4.057 -8.166 2.981 576 H ARG 71 H ARG 71 3.810 -6.215 -1.377 577 HA ARG 71 HA ARG 71 2.389 -3.769 -2.306 578 HB2 ARG 71 HB3 ARG 71 2.457 -4.497 -4.598 579 HB3 ARG 71 HB2 ARG 71 4.111 -4.609 -3.994 580 HG2 ARG 71 HG3 ARG 71 4.154 -6.807 -4.460 581 HG3 ARG 71 HG2 ARG 71 2.756 -7.075 -3.422 582 HD2 ARG 71 HD3 ARG 71 1.227 -6.582 -5.254 583 HD3 ARG 71 HD2 ARG 71 2.584 -6.129 -6.305 584 HE ARG 71 HE ARG 71 3.169 -8.708 -5.341 585 HH11 ARG 71 HH11 ARG 71 0.737 -7.114 -7.206 586 HH12 ARG 71 HH12 ARG 71 0.361 -8.516 -8.149 587 HH21 ARG 71 HH21 ARG 71 2.682 -10.542 -6.561 588 HH22 ARG 71 HH22 ARG 71 1.460 -10.453 -7.785 589 H PHE 72 H PHE 72 0.136 -4.198 -2.764 590 HA PHE 72 HA PHE 72 -0.887 -6.946 -2.433 591 HB2 PHE 72 HB3 PHE 72 -2.401 -5.910 -0.520 592 HB3 PHE 72 HB2 PHE 72 -0.788 -6.510 -0.145 593 HD1 PHE 72 HD1 PHE 72 1.137 -4.882 0.001 594 HD2 PHE 72 HD2 PHE 72 -2.952 -3.602 -0.308 595 HE1 PHE 72 HE1 PHE 72 1.782 -2.628 0.804 596 HE2 PHE 72 HE2 PHE 72 -2.306 -1.347 0.495 597 HZ PHE 72 HZ PHE 72 0.061 -0.859 1.052 598 H HIS 73 H HIS 73 -3.296 -6.983 -2.740 599 HA HIS 73 HA HIS 73 -4.127 -4.802 -4.606 600 HB2 HIS 73 HB3 HIS 73 -4.355 -7.710 -4.442 601 HB3 HIS 73 HB2 HIS 73 -5.913 -6.945 -4.759 602 HD1 HIS 73 HD1 HIS 73 -2.350 -6.916 -6.110 603 HD2 HIS 73 HD2 HIS 73 -6.238 -6.120 -7.384 604 HE1 HIS 73 HE1 HIS 73 -2.210 -6.463 -8.598 605 H VAL 74 H VAL 74 -6.156 -3.788 -4.324 606 HA VAL 74 HA VAL 74 -7.573 -4.368 -1.743 607 HB VAL 74 HB VAL 74 -7.015 -1.720 -3.125 608 HG11 VAL 74 HG11 VAL 74 -9.082 -2.427 -1.344 609 HG12 VAL 74 HG12 VAL 74 -8.580 -0.798 -1.791 610 HG13 VAL 74 HG13 VAL 74 -7.886 -1.574 -0.368 611 HG21 VAL 74 HG21 VAL 74 -5.238 -1.448 -1.713 612 HG22 VAL 74 HG22 VAL 74 -5.264 -3.210 -1.659 613 HG23 VAL 74 HG23 VAL 74 -6.043 -2.278 -0.382 614 H GLU 75 H GLU 75 -9.754 -4.766 -2.023 615 HA GLU 75 HA GLU 75 -10.911 -4.219 -4.729 616 HB2 GLU 75 HB3 GLU 75 -10.673 -6.547 -3.430 617 HB3 GLU 75 HB2 GLU 75 -12.192 -6.012 -2.711 618 HG2 GLU 75 HG3 GLU 75 -12.698 -5.449 -5.309 619 HG3 GLU 75 HG2 GLU 75 -11.604 -6.818 -5.509 620 H SER 76 H SER 76 -12.594 -2.794 -4.894 621 HA SER 76 HA SER 76 -13.864 -1.823 -2.353 622 HB2 SER 76 HB3 SER 76 -13.732 -0.316 -4.961 623 HB3 SER 76 HB2 SER 76 -13.881 0.326 -3.327 624 HG SER 76 HG SER 76 -11.641 -0.587 -4.717 625 H LYS 77 H LYS 77 -16.159 -0.912 -2.845 626 HA LYS 77 HA LYS 77 -17.739 -3.014 -4.081 627 HB2 LYS 77 HB3 LYS 77 -18.057 -0.669 -2.401 628 HB3 LYS 77 HB2 LYS 77 -19.314 -0.720 -3.638 629 HG2 LYS 77 HG3 LYS 77 -18.699 -3.289 -2.279 630 HG3 LYS 77 HG2 LYS 77 -19.516 -2.065 -1.307 631 HD2 LYS 77 HD3 LYS 77 -20.731 -2.144 -3.907 632 HD3 LYS 77 HD2 LYS 77 -20.666 -3.783 -3.257 633 HE2 LYS 77 HE3 LYS 77 -22.729 -2.800 -2.464 634 HE3 LYS 77 HE2 LYS 77 -21.616 -2.811 -1.082 635 HZ1 LYS 77 HZ1 LYS 77 -20.911 -0.557 -1.738 636 HZ2 LYS 77 HZ2 LYS 77 -22.552 -0.622 -1.306 637 HZ3 LYS 77 HZ3 LYS 77 -22.105 -0.546 -2.943 638 H LYS 78 H LYS 78 -16.240 -0.139 -5.260 639 HA LYS 78 HA LYS 78 -18.074 -0.023 -7.617 640 HB2 LYS 78 HB3 LYS 78 -16.301 1.825 -6.123 641 HB3 LYS 78 HB2 LYS 78 -16.353 2.067 -7.869 642 HG2 LYS 78 HG3 LYS 78 -18.431 2.939 -7.773 643 HG3 LYS 78 HG2 LYS 78 -19.012 1.606 -6.772 644 HD2 LYS 78 HD3 LYS 78 -17.346 3.051 -5.067 645 HD3 LYS 78 HD2 LYS 78 -18.206 4.293 -5.978 646 HE2 LYS 78 HE3 LYS 78 -19.744 3.904 -4.269 647 HE3 LYS 78 HE2 LYS 78 -20.298 2.699 -5.449 648 HZ1 LYS 78 HZ1 LYS 78 -19.826 1.824 -3.146 649 HZ2 LYS 78 HZ2 LYS 78 -18.182 2.130 -3.451 650 HZ3 LYS 78 HZ3 LYS 78 -19.036 1.020 -4.412 651 H LYS 79 H LYS 79 -14.742 -0.694 -6.665 652 HA LYS 79 HA LYS 79 -14.204 -2.096 -9.154 653 HB2 LYS 79 HB3 LYS 79 -13.490 0.765 -8.774 654 HB3 LYS 79 HB2 LYS 79 -12.240 -0.256 -9.487 655 HG2 LYS 79 HG3 LYS 79 -14.461 -1.078 -10.866 656 HG3 LYS 79 HG2 LYS 79 -14.816 0.632 -10.621 657 HD2 LYS 79 HD3 LYS 79 -12.034 0.067 -11.429 658 HD3 LYS 79 HD2 LYS 79 -13.247 -0.338 -12.645 659 HE2 LYS 79 HE3 LYS 79 -13.973 1.876 -12.853 660 HE3 LYS 79 HE2 LYS 79 -13.406 2.317 -11.230 661 HZ1 LYS 79 HZ1 LYS 79 -11.339 2.683 -11.965 662 HZ2 LYS 79 HZ2 LYS 79 -12.022 2.740 -13.521 663 HZ3 LYS 79 HZ3 LYS 79 -11.330 1.299 -12.946 664 H ILE 80 H ILE 80 -11.504 -2.172 -9.218 665 HA ILE 80 HA ILE 80 -10.663 -2.827 -6.411 666 HB ILE 80 HB ILE 80 -10.049 -4.290 -9.001 667 HG12 ILE 80 HG13 ILE 80 -11.459 -6.062 -7.579 668 HG13 ILE 80 HG12 ILE 80 -12.159 -4.591 -6.904 669 HG21 ILE 80 HG21 ILE 80 -8.822 -4.331 -6.406 670 HG22 ILE 80 HG22 ILE 80 -8.425 -5.305 -7.821 671 HG23 ILE 80 HG23 ILE 80 -9.637 -5.872 -6.671 672 HD11 ILE 80 HD11 ILE 80 -12.183 -3.975 -9.553 673 HD12 ILE 80 HD12 ILE 80 -13.542 -4.723 -8.713 674 HD13 ILE 80 HD13 ILE 80 -12.411 -5.722 -9.628 675 H ALA 81 H ALA 81 -8.540 -2.226 -5.878 676 HA ALA 81 HA ALA 81 -6.928 -0.904 -8.033 677 HB1 ALA 81 HB1 ALA 81 -8.313 0.507 -6.292 678 HB2 ALA 81 HB2 ALA 81 -6.655 0.980 -6.668 679 HB3 ALA 81 HB3 ALA 81 -7.002 0.077 -5.193 680 H LEU 82 H LEU 82 -4.615 -0.959 -7.648 681 HA LEU 82 HA LEU 82 -3.777 -3.102 -5.724 682 HB2 LEU 82 HB3 LEU 82 -3.368 -3.789 -7.963 683 HB3 LEU 82 HB2 LEU 82 -2.821 -2.181 -8.439 684 HG LEU 82 HG LEU 82 -0.826 -2.414 -7.037 685 HD11 LEU 82 HD11 LEU 82 -2.388 -4.479 -5.824 686 HD12 LEU 82 HD12 LEU 82 -0.817 -3.862 -5.317 687 HD13 LEU 82 HD13 LEU 82 -0.912 -5.211 -6.451 688 HD21 LEU 82 HD21 LEU 82 -1.120 -4.956 -8.650 689 HD22 LEU 82 HD22 LEU 82 0.333 -3.989 -8.402 690 HD23 LEU 82 HD23 LEU 82 -0.973 -3.375 -9.416 691 H VAL 83 H VAL 83 -2.299 -2.502 -4.151 692 HA VAL 83 HA VAL 83 -1.268 0.304 -4.252 693 HB VAL 83 HB VAL 83 -1.493 -1.642 -1.937 694 HG11 VAL 83 HG11 VAL 83 0.074 0.240 -1.603 695 HG12 VAL 83 HG12 VAL 83 -1.354 0.415 -0.582 696 HG13 VAL 83 HG13 VAL 83 -1.198 1.376 -2.052 697 HG21 VAL 83 HG21 VAL 83 -3.591 -0.543 -1.395 698 HG22 VAL 83 HG22 VAL 83 -3.688 -1.125 -3.058 699 HG23 VAL 83 HG23 VAL 83 -3.392 0.584 -2.737 700 H HIS 84 H HIS 84 0.922 0.670 -4.290 701 HA HIS 84 HA HIS 84 2.762 -1.664 -3.876 702 HB2 HIS 84 HB3 HIS 84 2.253 0.073 -6.187 703 HB3 HIS 84 HB2 HIS 84 3.960 0.012 -5.748 704 HD1 HIS 84 HD1 HIS 84 1.113 -2.513 -6.173 705 HD2 HIS 84 HD2 HIS 84 5.207 -2.167 -6.880 706 HE1 HIS 84 HE1 HIS 84 1.831 -4.667 -7.294 707 H LEU 85 H LEU 85 4.110 -1.159 -2.167 708 HA LEU 85 HA LEU 85 4.994 1.691 -1.891 709 HB2 LEU 85 HB3 LEU 85 4.371 1.709 0.352 710 HB3 LEU 85 HB2 LEU 85 3.118 0.671 -0.323 711 HG LEU 85 HG LEU 85 4.784 -1.272 0.218 712 HD11 LEU 85 HD11 LEU 85 5.704 0.252 2.542 713 HD12 LEU 85 HD12 LEU 85 6.341 0.883 1.023 714 HD13 LEU 85 HD13 LEU 85 6.616 -0.803 1.460 715 HD21 LEU 85 HD21 LEU 85 2.783 0.141 1.788 716 HD22 LEU 85 HD22 LEU 85 3.972 -0.639 2.830 717 HD23 LEU 85 HD23 LEU 85 3.070 -1.593 1.654 718 H GLU 86 H GLU 86 7.092 1.954 -0.921 719 HA GLU 86 HA GLU 86 8.742 -0.547 -0.748 720 HB2 GLU 86 HB3 GLU 86 8.902 1.790 -2.495 721 HB3 GLU 86 HB2 GLU 86 10.406 1.527 -1.612 722 HG2 GLU 86 HG3 GLU 86 10.893 -0.033 -3.172 723 HG3 GLU 86 HG2 GLU 86 9.660 -1.033 -2.402 724 H ALA 87 H ALA 87 10.042 -0.619 1.087 725 HA ALA 87 HA ALA 87 10.310 1.909 2.681 726 HB1 ALA 87 HB1 ALA 87 9.669 0.724 4.618 727 HB2 ALA 87 HB2 ALA 87 10.013 -0.841 3.881 728 HB3 ALA 87 HB3 ALA 87 8.591 0.075 3.382 729 H LYS 88 H LYS 88 12.394 2.328 3.324 730 HA LYS 88 HA LYS 88 14.370 0.078 3.295 731 HB2 LYS 88 HB3 LYS 88 15.940 1.805 2.256 732 HB3 LYS 88 HB2 LYS 88 14.630 1.248 1.214 733 HG2 LYS 88 HG3 LYS 88 13.463 3.246 1.377 734 HG3 LYS 88 HG2 LYS 88 14.172 3.654 2.940 735 HD2 LYS 88 HD3 LYS 88 15.617 3.684 0.273 736 HD3 LYS 88 HD2 LYS 88 15.102 5.103 1.186 737 HE2 LYS 88 HE3 LYS 88 16.523 4.126 3.128 738 HE3 LYS 88 HE2 LYS 88 17.273 3.120 1.874 739 HZ1 LYS 88 HZ1 LYS 88 18.476 5.176 2.025 740 HZ2 LYS 88 HZ2 LYS 88 17.048 6.084 1.876 741 HZ3 LYS 88 HZ3 LYS 88 17.616 5.167 0.564 742 H GLU 89 H GLU 89 15.933 0.222 4.936 743 HA GLU 89 HA GLU 89 15.374 2.153 7.103 744 HB2 GLU 89 HB3 GLU 89 17.047 0.674 8.278 745 HB3 GLU 89 HB2 GLU 89 15.663 -0.201 7.620 746 HG2 GLU 89 HG3 GLU 89 16.943 -1.343 6.139 747 HG3 GLU 89 HG2 GLU 89 17.875 0.091 5.708 748 H SER 90 H SER 90 16.754 3.842 7.662 749 HA SER 90 HA SER 90 19.336 4.063 6.152 750 HB2 SER 90 HB3 SER 90 18.648 6.612 6.305 751 HB3 SER 90 HB2 SER 90 17.962 5.587 5.049 752 HG SER 90 HG SER 90 16.337 6.736 6.141 753 H LYS 91 H LYS 91 21.076 4.701 7.394 754 HA LYS 91 HA LYS 91 22.312 5.399 9.279 755 HB2 LYS 91 HB3 LYS 91 20.264 7.145 8.949 756 HB3 LYS 91 HB2 LYS 91 19.896 6.547 10.567 757 HG2 LYS 91 HG3 LYS 91 22.738 7.229 10.027 758 HG3 LYS 91 HG2 LYS 91 21.610 8.582 10.129 759 HD2 LYS 91 HD3 LYS 91 21.442 6.452 12.222 760 HD3 LYS 91 HD2 LYS 91 22.776 7.604 12.314 761 HE2 LYS 91 HE3 LYS 91 20.372 9.064 11.735 762 HE3 LYS 91 HE2 LYS 91 20.081 8.019 13.140 763 HZ1 LYS 91 HZ1 LYS 91 22.074 10.139 12.786 764 HZ2 LYS 91 HZ2 LYS 91 22.496 8.798 13.738 765 HZ3 LYS 91 HZ3 LYS 91 21.151 9.747 14.153 766 H GLN 92 H GLN 92 19.118 4.906 10.820 767 HA GLN 92 HA GLN 92 20.390 3.106 12.790 768 HB2 GLN 92 HB3 GLN 92 18.537 5.080 12.942 769 HB3 GLN 92 HB2 GLN 92 17.474 3.678 12.806 770 HG2 GLN 92 HG3 GLN 92 18.293 2.704 14.780 771 HG3 GLN 92 HG2 GLN 92 19.778 3.656 14.744 772 HE21 GLN 92 HE21 GLN 92 19.698 5.051 16.519 773 HE22 GLN 92 HE22 GLN 92 18.350 5.984 16.958 774 H ASN 93 H ASN 93 19.878 0.914 12.998 775 HA ASN 93 HA ASN 93 18.630 -0.372 10.651 776 HB2 ASN 93 HB3 ASN 93 20.306 -1.134 13.011 777 HB3 ASN 93 HB2 ASN 93 19.362 -2.401 12.227 778 HD21 ASN 93 HD21 ASN 93 22.090 -0.210 11.820 779 HD22 ASN 93 HD22 ASN 93 22.616 -0.844 10.335 780 H TYR 94 H TYR 94 16.671 1.044 11.964 781 HA TYR 94 HA TYR 94 15.244 -0.932 13.698 782 HB2 TYR 94 HB3 TYR 94 15.802 1.760 13.970 783 HB3 TYR 94 HB2 TYR 94 14.150 1.780 13.353 784 HD1 TYR 94 HD1 TYR 94 15.436 2.371 16.248 785 HD2 TYR 94 HD2 TYR 94 13.214 -0.860 14.496 786 HE1 TYR 94 HE1 TYR 94 14.592 1.736 18.491 787 HE2 TYR 94 HE2 TYR 94 12.369 -1.496 16.739 788 HH TYR 94 HH TYR 94 13.661 -0.735 19.472 789 H GLN 95 H GLN 95 12.722 0.608 13.097 790 HA GLN 95 HA GLN 95 11.709 -1.051 10.975 791 HB2 GLN 95 HB3 GLN 95 10.646 1.541 12.146 792 HB3 GLN 95 HB2 GLN 95 9.698 0.323 11.294 793 HG2 GLN 95 HG3 GLN 95 9.962 -1.266 13.032 794 HG3 GLN 95 HG2 GLN 95 11.293 -0.370 13.763 795 HE21 GLN 95 HE21 GLN 95 10.182 2.247 13.803 796 HE22 GLN 95 HE22 GLN 95 8.835 2.256 14.836 797 HA PRO 96 HA PRO 96 13.210 1.366 7.598 798 HB2 PRO 96 HB3 PRO 96 11.544 0.217 5.678 799 HB3 PRO 96 HB2 PRO 96 13.113 -0.426 6.191 800 HG2 PRO 96 HG3 PRO 96 10.415 -1.363 6.822 801 HG3 PRO 96 HG2 PRO 96 11.957 -2.224 6.886 802 HD2 PRO 96 HD3 PRO 96 10.497 -1.271 9.074 803 HD3 PRO 96 HD2 PRO 96 12.180 -1.832 9.097 804 H ASP 97 H ASP 97 12.481 3.185 6.405 805 HA ASP 97 HA ASP 97 9.757 4.147 7.139 806 HB2 ASP 97 HB3 ASP 97 12.432 5.293 6.588 807 HB3 ASP 97 HB2 ASP 97 11.075 6.241 5.979 808 H PHE 98 H PHE 98 8.232 4.541 5.556 809 HA PHE 98 HA PHE 98 8.437 3.335 2.977 810 HB2 PHE 98 HB3 PHE 98 6.626 5.560 3.971 811 HB3 PHE 98 HB2 PHE 98 6.291 4.478 2.618 812 HD1 PHE 98 HD1 PHE 98 6.799 1.854 3.352 813 HD2 PHE 98 HD2 PHE 98 5.464 5.033 5.916 814 HE1 PHE 98 HE1 PHE 98 5.837 0.188 4.918 815 HE2 PHE 98 HE2 PHE 98 4.503 3.366 7.482 816 HZ PHE 98 HZ PHE 98 4.689 0.943 6.982 817 H ILE 99 H ILE 99 9.277 4.120 1.076 818 HA ILE 99 HA ILE 99 10.063 7.016 0.990 819 HB ILE 99 HB ILE 99 11.767 5.978 -0.729 820 HG12 ILE 99 HG13 ILE 99 11.465 3.552 1.010 821 HG13 ILE 99 HG12 ILE 99 10.431 3.714 -0.410 822 HG21 ILE 99 HG21 ILE 99 11.873 6.651 1.960 823 HG22 ILE 99 HG22 ILE 99 13.263 6.309 0.930 824 HG23 ILE 99 HG23 ILE 99 12.563 5.029 1.921 825 HD11 ILE 99 HD11 ILE 99 12.131 3.215 -1.805 826 HD12 ILE 99 HD12 ILE 99 13.055 2.747 -0.377 827 HD13 ILE 99 HD13 ILE 99 13.197 4.382 -1.024 828 H ASN 100 H ASN 100 8.215 4.511 -0.466 829 HA ASN 100 HA ASN 100 7.346 6.372 -2.610 830 HB2 ASN 100 HB3 ASN 100 8.735 3.712 -2.965 831 HB3 ASN 100 HB2 ASN 100 7.676 4.360 -4.220 832 HD21 ASN 100 HD21 ASN 100 10.750 4.034 -4.059 833 HD22 ASN 100 HD22 ASN 100 11.338 5.570 -4.477 834 H MET 101 H MET 101 5.133 6.175 -2.834 835 HA MET 101 HA MET 101 3.842 3.562 -2.244 836 HB2 MET 101 HB3 MET 101 3.982 4.773 -0.114 837 HB3 MET 101 HB2 MET 101 3.239 6.189 -0.852 838 HG2 MET 101 HG3 MET 101 1.654 4.710 0.477 839 HG3 MET 101 HG2 MET 101 1.161 5.038 -1.184 840 HE1 MET 101 HE1 MET 101 -0.158 3.006 0.332 841 HE2 MET 101 HE2 MET 101 1.127 2.320 1.322 842 HE3 MET 101 HE3 MET 101 0.294 1.308 0.145 843 H TYR 102 H TYR 102 2.518 3.229 -3.979 844 HA TYR 102 HA TYR 102 0.751 5.438 -4.886 845 HB2 TYR 102 HB3 TYR 102 1.512 5.249 -7.174 846 HB3 TYR 102 HB2 TYR 102 2.940 5.461 -6.161 847 HD1 TYR 102 HD1 TYR 102 0.834 2.861 -7.820 848 HD2 TYR 102 HD2 TYR 102 4.660 3.845 -6.136 849 HE1 TYR 102 HE1 TYR 102 1.758 0.721 -8.671 850 HE2 TYR 102 HE2 TYR 102 5.585 1.707 -6.986 851 HH TYR 102 HH TYR 102 4.270 -0.065 -9.317 852 H VAL 103 H VAL 103 -1.067 4.612 -6.178 853 HA VAL 103 HA VAL 103 -1.477 1.654 -5.861 854 HB VAL 103 HB VAL 103 -3.389 3.998 -5.620 855 HG11 VAL 103 HG11 VAL 103 -4.055 1.095 -5.129 856 HG12 VAL 103 HG12 VAL 103 -4.275 1.830 -6.716 857 HG13 VAL 103 HG13 VAL 103 -5.161 2.454 -5.325 858 HG21 VAL 103 HG21 VAL 103 -2.108 2.068 -3.688 859 HG22 VAL 103 HG22 VAL 103 -3.636 2.854 -3.292 860 HG23 VAL 103 HG23 VAL 103 -2.196 3.827 -3.593 861 H ASP 104 H ASP 104 -2.751 0.646 -7.566 862 HA ASP 104 HA ASP 104 -2.875 2.259 -10.095 863 HB2 ASP 104 HB3 ASP 104 -1.161 0.233 -9.550 864 HB3 ASP 104 HB2 ASP 104 -2.521 -0.689 -10.190 865 H VAL 105 H VAL 105 -4.961 2.462 -10.777 866 HA VAL 105 HA VAL 105 -6.900 0.275 -10.093 867 HB VAL 105 HB VAL 105 -7.423 2.301 -8.910 868 HG11 VAL 105 HG11 VAL 105 -6.044 3.874 -10.119 869 HG12 VAL 105 HG12 VAL 105 -7.705 4.457 -10.194 870 HG13 VAL 105 HG13 VAL 105 -6.991 3.650 -11.590 871 HG21 VAL 105 HG21 VAL 105 -9.090 2.087 -11.438 872 HG22 VAL 105 HG22 VAL 105 -9.570 2.990 -10.000 873 HG23 VAL 105 HG23 VAL 105 -9.376 1.239 -9.917 874 HA PRO 106 HA PRO 106 -7.009 -0.291 -14.497 875 HB2 PRO 106 HB3 PRO 106 -9.552 -1.696 -14.009 876 HB3 PRO 106 HB2 PRO 106 -8.031 -2.326 -14.668 877 HG2 PRO 106 HG3 PRO 106 -8.945 -2.948 -12.200 878 HG3 PRO 106 HG2 PRO 106 -7.227 -2.902 -12.623 879 HD2 PRO 106 HD3 PRO 106 -8.836 -0.963 -11.055 880 HD3 PRO 106 HD2 PRO 106 -7.117 -1.395 -10.912 881 H GLY 107 H GLY 107 -7.859 1.076 -16.020 882 HA2 GLY 107 HA3 GLY 107 -9.535 2.301 -17.172 883 HA3 GLY 107 HA2 GLY 107 -10.666 1.923 -15.874 884 H GLU 108 H GLU 108 -8.370 2.923 -13.989 885 HA GLU 108 HA GLU 108 -9.038 5.831 -14.323 886 HB2 GLU 108 HB3 GLU 108 -9.203 3.909 -12.117 887 HB3 GLU 108 HB2 GLU 108 -8.354 5.389 -11.667 888 HG2 GLU 108 HG3 GLU 108 -10.927 5.582 -13.202 889 HG3 GLU 108 HG2 GLU 108 -10.976 5.281 -11.464 890 H LYS 109 H LYS 109 -7.359 7.311 -13.405 891 HA LYS 109 HA LYS 109 -4.674 6.504 -14.262 892 HB2 LYS 109 HB3 LYS 109 -6.102 8.967 -13.322 893 HB3 LYS 109 HB2 LYS 109 -4.339 8.956 -13.284 894 HG2 LYS 109 HG3 LYS 109 -5.138 7.847 -15.780 895 HG3 LYS 109 HG2 LYS 109 -6.061 9.331 -15.543 896 HD2 LYS 109 HD3 LYS 109 -4.181 10.667 -15.544 897 HD3 LYS 109 HD2 LYS 109 -3.150 9.398 -14.885 898 HE2 LYS 109 HE3 LYS 109 -2.381 9.326 -17.061 899 HE3 LYS 109 HE2 LYS 109 -3.796 8.276 -17.278 900 HZ1 LYS 109 HZ1 LYS 109 -3.448 10.500 -18.677 901 HZ2 LYS 109 HZ2 LYS 109 -4.278 11.148 -17.343 902 HZ3 LYS 109 HZ3 LYS 109 -4.983 9.908 -18.266 903 H ARG 110 H ARG 110 -3.281 5.479 -12.882 904 HA ARG 110 HA ARG 110 -3.712 4.968 -10.140 905 HB2 ARG 110 HB3 ARG 110 -1.293 4.390 -10.183 906 HB3 ARG 110 HB2 ARG 110 -2.132 3.778 -11.608 907 HG2 ARG 110 HG3 ARG 110 -1.433 6.033 -12.706 908 HG3 ARG 110 HG2 ARG 110 -0.262 6.128 -11.391 909 HD2 ARG 110 HD3 ARG 110 -0.341 3.490 -12.706 910 HD3 ARG 110 HD2 ARG 110 0.198 4.813 -13.761 911 HE ARG 110 HE ARG 110 1.515 5.272 -11.354 912 HH11 ARG 110 HH11 ARG 110 1.225 2.676 -13.613 913 HH12 ARG 110 HH12 ARG 110 2.802 2.042 -13.283 914 HH21 ARG 110 HH21 ARG 110 3.567 4.448 -10.908 915 HH22 ARG 110 HH22 ARG 110 4.127 3.043 -11.753 916 H TYR 111 H TYR 111 -3.205 6.106 -8.275 917 HA TYR 111 HA TYR 111 -2.031 8.845 -8.642 918 HB2 TYR 111 HB3 TYR 111 -4.522 8.144 -7.790 919 HB3 TYR 111 HB2 TYR 111 -3.660 8.190 -6.251 920 HD1 TYR 111 HD1 TYR 111 -4.229 10.200 -5.194 921 HD2 TYR 111 HD2 TYR 111 -3.229 10.219 -9.371 922 HE1 TYR 111 HE1 TYR 111 -4.331 12.678 -5.208 923 HE2 TYR 111 HE2 TYR 111 -3.331 12.697 -9.385 924 HH TYR 111 HH TYR 111 -3.453 14.538 -8.098 925 H TYR 112 H TYR 112 -0.180 9.270 -7.472 926 HA TYR 112 HA TYR 112 1.018 7.137 -5.860 927 HB2 TYR 112 HB3 TYR 112 2.944 8.536 -5.956 928 HB3 TYR 112 HB2 TYR 112 2.125 8.802 -7.495 929 HD1 TYR 112 HD1 TYR 112 3.111 10.272 -4.304 930 HD2 TYR 112 HD2 TYR 112 0.752 10.856 -7.847 931 HE1 TYR 112 HE1 TYR 112 2.920 12.687 -3.777 932 HE2 TYR 112 HE2 TYR 112 0.561 13.272 -7.320 933 HH TYR 112 HH TYR 112 1.733 14.973 -6.037 934 H LEU 113 H LEU 113 1.120 7.077 -3.615 935 HA LEU 113 HA LEU 113 -0.531 9.034 -2.126 936 HB2 LEU 113 HB3 LEU 113 -0.075 6.301 -2.017 937 HB3 LEU 113 HB2 LEU 113 0.867 6.910 -0.655 938 HG LEU 113 HG LEU 113 -1.382 8.355 -0.304 939 HD11 LEU 113 HD11 LEU 113 -2.210 5.778 -1.668 940 HD12 LEU 113 HD12 LEU 113 -2.607 7.424 -2.163 941 HD13 LEU 113 HD13 LEU 113 -3.304 6.754 -0.688 942 HD21 LEU 113 HD21 LEU 113 -2.073 6.544 1.310 943 HD22 LEU 113 HD22 LEU 113 -0.370 6.985 1.424 944 HD23 LEU 113 HD23 LEU 113 -0.843 5.506 0.590 945 H ILE 114 H ILE 114 2.845 7.933 -2.335 946 HA ILE 114 HA ILE 114 3.613 10.251 -0.589 947 HB ILE 114 HB ILE 114 4.848 7.495 -0.895 948 HG12 ILE 114 HG13 ILE 114 3.435 8.812 1.448 949 HG13 ILE 114 HG12 ILE 114 2.728 7.575 0.406 950 HG21 ILE 114 HG21 ILE 114 5.667 9.947 0.672 951 HG22 ILE 114 HG22 ILE 114 6.636 9.008 -0.463 952 HG23 ILE 114 HG23 ILE 114 6.215 8.329 1.108 953 HD11 ILE 114 HD11 ILE 114 5.206 6.522 1.189 954 HD12 ILE 114 HD12 ILE 114 3.620 6.030 1.784 955 HD13 ILE 114 HD13 ILE 114 4.545 7.257 2.650 956 H LYS 115 H LYS 115 4.649 8.127 -3.272 957 HA LYS 115 HA LYS 115 6.886 9.846 -4.015 958 HB2 LYS 115 HB3 LYS 115 7.184 8.217 -5.747 959 HB3 LYS 115 HB2 LYS 115 6.585 7.324 -4.350 960 HG2 LYS 115 HG3 LYS 115 4.326 7.329 -5.247 961 HG3 LYS 115 HG2 LYS 115 4.821 8.367 -6.584 962 HD2 LYS 115 HD3 LYS 115 6.303 5.802 -6.192 963 HD3 LYS 115 HD2 LYS 115 4.677 5.718 -6.870 964 HE2 LYS 115 HE3 LYS 115 5.470 6.385 -8.882 965 HE3 LYS 115 HE2 LYS 115 6.120 7.866 -8.148 966 HZ1 LYS 115 HZ1 LYS 115 7.410 5.209 -8.357 967 HZ2 LYS 115 HZ2 LYS 115 7.938 6.374 -7.239 968 HZ3 LYS 115 HZ3 LYS 115 7.996 6.704 -8.904 Start of MODEL 20 1 H1 GLY 1 H GLY 1 7.722 -11.536 15.378 2 HA2 GLY 1 HA3 GLY 1 7.893 -10.430 12.782 3 HA3 GLY 1 HA2 GLY 1 7.127 -11.975 13.152 4 H SER 2 H SER 2 6.550 -8.878 11.993 5 HA SER 2 HA SER 2 3.606 -9.303 12.234 6 HB2 SER 2 HB3 SER 2 5.295 -7.156 13.382 7 HB3 SER 2 HB2 SER 2 3.828 -6.607 12.579 8 HG SER 2 HG SER 2 3.887 -7.394 14.960 9 H ASP 3 H ASP 3 5.168 -9.776 9.931 10 HA ASP 3 HA ASP 3 5.509 -7.599 8.149 11 HB2 ASP 3 HB3 ASP 3 4.618 -10.441 7.555 12 HB3 ASP 3 HB2 ASP 3 5.459 -9.357 6.445 13 H THR 4 H THR 4 2.623 -9.546 8.885 14 HA THR 4 HA THR 4 0.898 -8.553 6.854 15 HB THR 4 HB THR 4 0.118 -9.243 9.697 16 HG1 THR 4 HG1 THR 4 1.261 -10.785 7.682 17 HG21 THR 4 HG21 THR 4 -1.352 -10.357 7.409 18 HG22 THR 4 HG22 THR 4 -1.392 -8.596 7.486 19 HG23 THR 4 HG23 THR 4 -1.962 -9.551 8.854 20 H GLN 5 H GLN 5 1.293 -7.417 10.238 21 HA GLN 5 HA GLN 5 -0.474 -5.230 10.179 22 HB2 GLN 5 HB3 GLN 5 2.205 -5.678 11.526 23 HB3 GLN 5 HB2 GLN 5 1.153 -4.317 11.919 24 HG2 GLN 5 HG3 GLN 5 -0.671 -6.233 12.159 25 HG3 GLN 5 HG2 GLN 5 0.752 -7.235 12.448 26 HE21 GLN 5 HE21 GLN 5 2.077 -6.742 14.356 27 HE22 GLN 5 HE22 GLN 5 1.478 -5.768 15.610 28 H LEU 6 H LEU 6 2.804 -5.511 8.879 29 HA LEU 6 HA LEU 6 3.390 -2.784 8.375 30 HB2 LEU 6 HB3 LEU 6 4.484 -5.290 7.890 31 HB3 LEU 6 HB2 LEU 6 4.174 -4.672 6.267 32 HG LEU 6 HG LEU 6 5.263 -2.547 7.848 33 HD11 LEU 6 HD11 LEU 6 7.558 -4.156 7.779 34 HD12 LEU 6 HD12 LEU 6 6.313 -5.181 8.490 35 HD13 LEU 6 HD13 LEU 6 6.695 -3.622 9.221 36 HD21 LEU 6 HD21 LEU 6 5.990 -4.134 5.407 37 HD22 LEU 6 HD22 LEU 6 7.187 -3.036 6.093 38 HD23 LEU 6 HD23 LEU 6 5.627 -2.414 5.552 39 H PHE 7 H PHE 7 1.670 -5.164 6.343 40 HA PHE 7 HA PHE 7 1.094 -3.222 4.247 41 HB2 PHE 7 HB3 PHE 7 0.834 -5.201 3.180 42 HB3 PHE 7 HB2 PHE 7 1.032 -6.043 4.711 43 HD1 PHE 7 HD1 PHE 7 -0.667 -7.516 5.273 44 HD2 PHE 7 HD2 PHE 7 -1.627 -4.001 2.997 45 HE1 PHE 7 HE1 PHE 7 -3.044 -8.217 5.190 46 HE2 PHE 7 HE2 PHE 7 -4.003 -4.704 2.913 47 HZ PHE 7 HZ PHE 7 -4.713 -6.812 4.010 48 H ASN 8 H ASN 8 -0.592 -4.507 7.076 49 HA ASN 8 HA ASN 8 -3.226 -3.599 6.532 50 HB2 ASN 8 HB3 ASN 8 -1.547 -4.251 8.918 51 HB3 ASN 8 HB2 ASN 8 -3.090 -3.445 9.202 52 HD21 ASN 8 HD21 ASN 8 -1.622 -6.379 7.799 53 HD22 ASN 8 HD22 ASN 8 -3.050 -7.297 7.807 54 H ARG 9 H ARG 9 -0.571 -1.918 8.273 55 HA ARG 9 HA ARG 9 -2.079 0.499 8.725 56 HB2 ARG 9 HB3 ARG 9 0.097 1.361 9.420 57 HB3 ARG 9 HB2 ARG 9 -0.075 -0.297 9.990 58 HG2 ARG 9 HG3 ARG 9 1.361 -1.140 8.292 59 HG3 ARG 9 HG2 ARG 9 1.282 0.363 7.373 60 HD2 ARG 9 HD3 ARG 9 2.422 0.271 10.178 61 HD3 ARG 9 HD2 ARG 9 3.426 0.027 8.733 62 HE ARG 9 HE ARG 9 1.845 2.325 8.263 63 HH11 ARG 9 HH11 ARG 9 4.327 1.209 10.392 64 HH12 ARG 9 HH12 ARG 9 4.998 2.785 10.642 65 HH21 ARG 9 HH21 ARG 9 2.709 4.383 8.589 66 HH22 ARG 9 HH22 ARG 9 4.083 4.580 9.624 67 H ALA 10 H ALA 10 0.016 -0.609 6.102 68 HA ALA 10 HA ALA 10 0.253 1.956 4.776 69 HB1 ALA 10 HB1 ALA 10 1.399 -0.530 4.606 70 HB2 ALA 10 HB2 ALA 10 1.588 0.730 3.386 71 HB3 ALA 10 HB3 ALA 10 0.369 -0.526 3.174 72 H VAL 11 H VAL 11 -1.927 -0.840 4.377 73 HA VAL 11 HA VAL 11 -3.371 0.291 2.139 74 HB VAL 11 HB VAL 11 -3.066 -2.148 3.375 75 HG11 VAL 11 HG11 VAL 11 -4.695 -1.521 5.146 76 HG12 VAL 11 HG12 VAL 11 -5.263 -2.873 4.168 77 HG13 VAL 11 HG13 VAL 11 -5.917 -1.257 3.902 78 HG21 VAL 11 HG21 VAL 11 -4.025 -1.206 1.023 79 HG22 VAL 11 HG22 VAL 11 -5.506 -1.863 1.722 80 HG23 VAL 11 HG23 VAL 11 -4.100 -2.904 1.492 81 H SER 12 H SER 12 -3.694 0.448 5.642 82 HA SER 12 HA SER 12 -6.366 1.387 5.868 83 HB2 SER 12 HB3 SER 12 -4.261 0.811 7.519 84 HB3 SER 12 HB2 SER 12 -4.318 2.566 7.652 85 HG SER 12 HG SER 12 -5.711 1.706 9.165 86 H MET 13 H MET 13 -3.326 3.267 5.570 87 HA MET 13 HA MET 13 -4.640 5.836 5.463 88 HB2 MET 13 HB3 MET 13 -2.390 6.583 4.784 89 HB3 MET 13 HB2 MET 13 -2.273 5.416 6.100 90 HG2 MET 13 HG3 MET 13 -1.691 3.642 4.584 91 HG3 MET 13 HG2 MET 13 -2.058 4.644 3.181 92 HE1 MET 13 HE1 MET 13 0.827 4.972 1.949 93 HE2 MET 13 HE2 MET 13 -0.145 3.600 2.473 94 HE3 MET 13 HE3 MET 13 1.511 3.768 3.049 95 H VAL 14 H VAL 14 -3.742 3.428 3.047 96 HA VAL 14 HA VAL 14 -4.128 5.125 0.728 97 HB VAL 14 HB VAL 14 -3.983 2.153 1.270 98 HG11 VAL 14 HG11 VAL 14 -5.247 2.061 -0.673 99 HG12 VAL 14 HG12 VAL 14 -3.628 2.197 -1.360 100 HG13 VAL 14 HG13 VAL 14 -4.661 3.622 -1.251 101 HG21 VAL 14 HG21 VAL 14 -2.072 4.187 1.024 102 HG22 VAL 14 HG22 VAL 14 -2.037 3.356 -0.530 103 HG23 VAL 14 HG23 VAL 14 -1.766 2.452 0.960 104 H GLU 15 H GLU 15 -6.202 2.770 2.447 105 HA GLU 15 HA GLU 15 -8.425 3.034 0.601 106 HB2 GLU 15 HB3 GLU 15 -9.563 1.668 2.251 107 HB3 GLU 15 HB2 GLU 15 -7.896 1.102 2.139 108 HG2 GLU 15 HG3 GLU 15 -7.281 2.293 4.143 109 HG3 GLU 15 HG2 GLU 15 -8.845 3.105 4.202 110 H LYS 16 H LYS 16 -7.280 4.906 3.292 111 HA LYS 16 HA LYS 16 -9.898 6.340 3.490 112 HB2 LYS 16 HB3 LYS 16 -9.157 6.975 5.665 113 HB3 LYS 16 HB2 LYS 16 -8.633 5.302 5.486 114 HG2 LYS 16 HG3 LYS 16 -6.388 6.095 4.785 115 HG3 LYS 16 HG2 LYS 16 -6.915 7.760 5.031 116 HD2 LYS 16 HD3 LYS 16 -7.277 5.822 7.282 117 HD3 LYS 16 HD2 LYS 16 -5.652 6.425 6.957 118 HE2 LYS 16 HE3 LYS 16 -6.609 8.776 7.015 119 HE3 LYS 16 HE2 LYS 16 -8.121 8.062 7.614 120 HZ1 LYS 16 HZ1 LYS 16 -6.831 6.961 9.367 121 HZ2 LYS 16 HZ2 LYS 16 -6.712 8.653 9.471 122 HZ3 LYS 16 HZ3 LYS 16 -5.426 7.746 8.830 123 H ASN 17 H ASN 17 -6.734 6.583 2.211 124 HA ASN 17 HA ASN 17 -5.982 9.252 2.368 125 HB2 ASN 17 HB3 ASN 17 -4.693 7.571 1.204 126 HB3 ASN 17 HB2 ASN 17 -5.990 7.319 0.035 127 HD21 ASN 17 HD21 ASN 17 -3.039 8.793 0.287 128 HD22 ASN 17 HD22 ASN 17 -3.258 10.066 -0.813 129 H LYS 18 H LYS 18 -6.895 11.166 1.716 130 HA LYS 18 HA LYS 18 -9.544 11.299 0.591 131 HB2 LYS 18 HB3 LYS 18 -7.386 13.434 0.663 132 HB3 LYS 18 HB2 LYS 18 -9.130 13.691 0.630 133 HG2 LYS 18 HG3 LYS 18 -9.399 13.110 2.846 134 HG3 LYS 18 HG2 LYS 18 -8.010 12.027 2.842 135 HD2 LYS 18 HD3 LYS 18 -7.429 13.976 4.156 136 HD3 LYS 18 HD2 LYS 18 -6.522 14.046 2.643 137 HE2 LYS 18 HE3 LYS 18 -8.129 15.630 1.698 138 HE3 LYS 18 HE2 LYS 18 -9.144 15.502 3.149 139 HZ1 LYS 18 HZ1 LYS 18 -6.702 15.983 4.186 140 HZ2 LYS 18 HZ2 LYS 18 -7.882 17.174 3.915 141 HZ3 LYS 18 HZ3 LYS 18 -6.652 16.919 2.772 142 H ASP 19 H ASP 19 -6.311 11.882 -0.786 143 HA ASP 19 HA ASP 19 -7.054 12.691 -3.392 144 HB2 ASP 19 HB3 ASP 19 -4.723 11.185 -2.202 145 HB3 ASP 19 HB2 ASP 19 -4.773 11.550 -3.926 146 H ILE 20 H ILE 20 -6.538 9.397 -2.117 147 HA ILE 20 HA ILE 20 -7.141 8.075 -4.628 148 HB ILE 20 HB ILE 20 -7.087 7.158 -1.736 149 HG12 ILE 20 HG13 ILE 20 -4.926 7.993 -2.408 150 HG13 ILE 20 HG12 ILE 20 -4.845 6.232 -2.479 151 HG21 ILE 20 HG21 ILE 20 -6.945 4.900 -2.617 152 HG22 ILE 20 HG22 ILE 20 -6.942 5.506 -4.273 153 HG23 ILE 20 HG23 ILE 20 -8.388 5.668 -3.278 154 HD11 ILE 20 HD11 ILE 20 -5.391 6.376 -4.930 155 HD12 ILE 20 HD12 ILE 20 -3.844 7.108 -4.503 156 HD13 ILE 20 HD13 ILE 20 -5.250 8.130 -4.806 157 H ARG 21 H ARG 21 -9.030 9.033 -1.780 158 HA ARG 21 HA ARG 21 -11.354 7.503 -2.119 159 HB2 ARG 21 HB3 ARG 21 -12.302 9.057 -0.668 160 HB3 ARG 21 HB2 ARG 21 -10.589 9.360 -0.415 161 HG2 ARG 21 HG3 ARG 21 -11.100 11.520 -0.835 162 HG3 ARG 21 HG2 ARG 21 -11.161 11.037 -2.523 163 HD2 ARG 21 HD3 ARG 21 -13.438 11.234 -2.610 164 HD3 ARG 21 HD2 ARG 21 -13.645 10.489 -1.011 165 HE ARG 21 HE ARG 21 -12.376 13.012 -0.652 166 HH11 ARG 21 HH11 ARG 21 -15.376 11.631 -1.664 167 HH12 ARG 21 HH12 ARG 21 -16.322 12.983 -1.137 168 HH21 ARG 21 HH21 ARG 21 -13.597 14.775 0.038 169 HH22 ARG 21 HH22 ARG 21 -15.317 14.761 -0.175 170 H SER 22 H SER 22 -10.251 10.275 -3.969 171 HA SER 22 HA SER 22 -12.706 10.755 -5.412 172 HB2 SER 22 HB3 SER 22 -9.796 11.440 -5.649 173 HB3 SER 22 HB2 SER 22 -10.843 11.752 -7.032 174 HG SER 22 HG SER 22 -10.917 12.819 -4.430 175 H LEU 23 H LEU 23 -9.857 8.707 -6.012 176 HA LEU 23 HA LEU 23 -10.692 7.856 -8.663 177 HB2 LEU 23 HB3 LEU 23 -8.849 6.438 -6.722 178 HB3 LEU 23 HB2 LEU 23 -8.785 6.414 -8.483 179 HG LEU 23 HG LEU 23 -8.108 8.703 -6.629 180 HD11 LEU 23 HD11 LEU 23 -6.624 6.714 -8.023 181 HD12 LEU 23 HD12 LEU 23 -6.001 8.071 -7.083 182 HD13 LEU 23 HD13 LEU 23 -6.303 8.258 -8.812 183 HD21 LEU 23 HD21 LEU 23 -9.129 10.010 -8.205 184 HD22 LEU 23 HD22 LEU 23 -9.113 8.729 -9.418 185 HD23 LEU 23 HD23 LEU 23 -7.662 9.688 -9.131 186 H LEU 24 H LEU 24 -10.927 6.455 -5.391 187 HA LEU 24 HA LEU 24 -12.326 4.058 -6.356 188 HB2 LEU 24 HB3 LEU 24 -10.924 5.000 -4.035 189 HB3 LEU 24 HB2 LEU 24 -12.517 4.431 -3.534 190 HG LEU 24 HG LEU 24 -10.542 2.866 -5.222 191 HD11 LEU 24 HD11 LEU 24 -9.620 2.477 -3.182 192 HD12 LEU 24 HD12 LEU 24 -11.025 1.442 -2.921 193 HD13 LEU 24 HD13 LEU 24 -11.030 3.102 -2.326 194 HD21 LEU 24 HD21 LEU 24 -12.136 1.176 -5.364 195 HD22 LEU 24 HD22 LEU 24 -13.173 2.601 -5.432 196 HD23 LEU 24 HD23 LEU 24 -12.987 1.718 -3.917 197 H GLN 25 H GLN 25 -13.242 7.249 -5.667 198 HA GLN 25 HA GLN 25 -15.340 8.258 -5.232 199 HB2 GLN 25 HB3 GLN 25 -16.274 5.686 -6.546 200 HB3 GLN 25 HB2 GLN 25 -17.101 7.244 -6.564 201 HG2 GLN 25 HG3 GLN 25 -15.290 8.243 -7.852 202 HG3 GLN 25 HG2 GLN 25 -14.355 6.752 -7.750 203 HE21 GLN 25 HE21 GLN 25 -15.093 4.902 -9.024 204 HE22 GLN 25 HE22 GLN 25 -16.206 5.094 -10.292 205 H CYS 26 H CYS 26 -14.234 6.425 -3.146 206 HA CYS 26 HA CYS 26 -16.504 4.950 -2.033 207 HB2 CYS 26 HB3 CYS 26 -14.892 4.409 -0.299 208 HB3 CYS 26 HB2 CYS 26 -14.060 4.341 -1.853 209 HG CYS 26 HG CYS 26 -13.697 6.595 0.266 210 H ASP 27 H ASP 27 -17.850 5.666 -0.390 211 HA ASP 27 HA ASP 27 -17.863 8.549 0.207 212 HB2 ASP 27 HB3 ASP 27 -19.631 6.168 0.523 213 HB3 ASP 27 HB2 ASP 27 -19.891 7.507 1.642 214 H ASP 28 H ASP 28 -18.597 8.871 2.731 215 HA ASP 28 HA ASP 28 -17.459 7.246 4.766 216 HB2 ASP 28 HB3 ASP 28 -15.544 8.412 3.103 217 HB3 ASP 28 HB2 ASP 28 -15.559 9.456 4.525 218 H GLY 29 H GLY 29 -19.325 8.065 5.876 219 HA2 GLY 29 HA3 GLY 29 -18.894 10.623 7.227 220 HA3 GLY 29 HA2 GLY 29 -20.284 10.628 6.141 221 H ILE 30 H ILE 30 -20.619 10.974 8.900 222 HA ILE 30 HA ILE 30 -21.119 8.675 10.457 223 HB ILE 30 HB ILE 30 -21.162 10.945 11.318 224 HG12 ILE 30 HG13 ILE 30 -23.930 10.673 11.898 225 HG13 ILE 30 HG12 ILE 30 -23.281 9.041 11.733 226 HG21 ILE 30 HG21 ILE 30 -22.016 12.498 9.912 227 HG22 ILE 30 HG22 ILE 30 -23.592 12.042 10.559 228 HG23 ILE 30 HG23 ILE 30 -23.004 11.306 9.068 229 HD11 ILE 30 HD11 ILE 30 -22.584 9.306 13.876 230 HD12 ILE 30 HD12 ILE 30 -22.763 11.059 13.810 231 HD13 ILE 30 HD13 ILE 30 -21.304 10.297 13.177 232 H THR 31 H THR 31 -22.927 9.977 7.748 233 HA THR 31 HA THR 31 -25.363 8.444 8.332 234 HB THR 31 HB THR 31 -25.154 10.693 7.137 235 HG1 THR 31 HG1 THR 31 -27.082 9.885 6.794 236 HG21 THR 31 HG21 THR 31 -23.209 9.761 5.709 237 HG22 THR 31 HG22 THR 31 -24.405 10.777 4.902 238 HG23 THR 31 HG23 THR 31 -24.471 9.023 4.723 239 H GLY 32 H GLY 32 -22.349 7.881 6.730 240 HA2 GLY 32 HA3 GLY 32 -22.881 5.113 6.278 241 HA3 GLY 32 HA2 GLY 32 -23.092 5.984 4.757 242 H LYS 33 H LYS 33 -20.879 4.194 6.272 243 HA LYS 33 HA LYS 33 -18.578 5.867 5.310 244 HB2 LYS 33 HB3 LYS 33 -18.777 3.830 7.551 245 HB3 LYS 33 HB2 LYS 33 -17.300 4.674 7.087 246 HG2 LYS 33 HG3 LYS 33 -17.887 6.419 8.373 247 HG3 LYS 33 HG2 LYS 33 -19.359 6.625 7.422 248 HD2 LYS 33 HD3 LYS 33 -19.478 4.367 9.302 249 HD3 LYS 33 HD2 LYS 33 -19.296 5.935 10.086 250 HE2 LYS 33 HE3 LYS 33 -21.428 6.535 9.580 251 HE3 LYS 33 HE2 LYS 33 -21.252 5.994 7.898 252 HZ1 LYS 33 HZ1 LYS 33 -22.022 4.443 10.275 253 HZ2 LYS 33 HZ2 LYS 33 -21.201 3.657 9.013 254 HZ3 LYS 33 HZ3 LYS 33 -22.691 4.418 8.716 255 H GLU 34 H GLU 34 -17.621 4.983 3.527 256 HA GLU 34 HA GLU 34 -18.192 2.260 2.651 257 HB2 GLU 34 HB3 GLU 34 -17.755 4.367 1.256 258 HB3 GLU 34 HB2 GLU 34 -16.051 4.166 1.667 259 HG2 GLU 34 HG3 GLU 34 -16.075 2.933 -0.275 260 HG3 GLU 34 HG2 GLU 34 -16.567 1.661 0.844 261 H ARG 35 H ARG 35 -16.791 0.474 2.780 262 HA ARG 35 HA ARG 35 -14.240 0.884 4.305 263 HB2 ARG 35 HB3 ARG 35 -16.442 -0.202 5.362 264 HB3 ARG 35 HB2 ARG 35 -15.840 -1.638 4.533 265 HG2 ARG 35 HG3 ARG 35 -13.919 -0.022 6.167 266 HG3 ARG 35 HG2 ARG 35 -15.055 -1.080 7.004 267 HD2 ARG 35 HD3 ARG 35 -13.892 -2.473 4.743 268 HD3 ARG 35 HD2 ARG 35 -12.621 -1.854 5.815 269 HE ARG 35 HE ARG 35 -14.515 -3.937 6.497 270 HH11 ARG 35 HH11 ARG 35 -12.754 -1.212 7.683 271 HH12 ARG 35 HH12 ARG 35 -12.719 -1.784 9.317 272 HH21 ARG 35 HH21 ARG 35 -14.467 -4.696 8.621 273 HH22 ARG 35 HH22 ARG 35 -13.687 -3.753 9.847 274 H LEU 36 H LEU 36 -12.608 0.404 2.901 275 HA LEU 36 HA LEU 36 -13.059 -1.573 0.733 276 HB2 LEU 36 HB3 LEU 36 -10.748 0.290 1.344 277 HB3 LEU 36 HB2 LEU 36 -11.001 -0.593 -0.163 278 HG LEU 36 HG LEU 36 -13.167 1.208 0.874 279 HD11 LEU 36 HD11 LEU 36 -12.171 3.070 -0.393 280 HD12 LEU 36 HD12 LEU 36 -10.760 2.070 -0.747 281 HD13 LEU 36 HD13 LEU 36 -11.106 2.552 0.914 282 HD21 LEU 36 HD21 LEU 36 -12.667 -0.386 -1.444 283 HD22 LEU 36 HD22 LEU 36 -12.688 1.303 -1.947 284 HD23 LEU 36 HD23 LEU 36 -14.076 0.618 -1.101 285 H LYS 37 H LYS 37 -11.787 -3.430 0.535 286 HA LYS 37 HA LYS 37 -10.149 -4.150 2.943 287 HB2 LYS 37 HB3 LYS 37 -10.933 -6.502 2.312 288 HB3 LYS 37 HB2 LYS 37 -12.189 -5.411 2.898 289 HG2 LYS 37 HG3 LYS 37 -13.134 -5.140 0.795 290 HG3 LYS 37 HG2 LYS 37 -11.624 -5.501 -0.043 291 HD2 LYS 37 HD3 LYS 37 -12.810 -7.466 -0.415 292 HD3 LYS 37 HD2 LYS 37 -11.932 -7.879 1.058 293 HE2 LYS 37 HE3 LYS 37 -14.461 -6.507 1.626 294 HE3 LYS 37 HE2 LYS 37 -14.688 -8.038 0.755 295 HZ1 LYS 37 HZ1 LYS 37 -12.999 -7.653 3.171 296 HZ2 LYS 37 HZ2 LYS 37 -13.191 -9.112 2.322 297 HZ3 LYS 37 HZ3 LYS 37 -14.510 -8.421 3.141 298 H ALA 38 H ALA 38 -8.100 -4.910 2.541 299 HA ALA 38 HA ALA 38 -7.336 -5.419 -0.316 300 HB1 ALA 38 HB1 ALA 38 -5.116 -4.427 0.417 301 HB2 ALA 38 HB2 ALA 38 -5.894 -3.987 1.936 302 HB3 ALA 38 HB3 ALA 38 -6.463 -3.288 0.419 303 H TYR 39 H TYR 39 -5.463 -6.931 -0.516 304 HA TYR 39 HA TYR 39 -4.711 -8.522 1.843 305 HB2 TYR 39 HB3 TYR 39 -5.641 -10.614 0.585 306 HB3 TYR 39 HB2 TYR 39 -6.777 -9.593 1.465 307 HD1 TYR 39 HD1 TYR 39 -8.616 -8.643 0.352 308 HD2 TYR 39 HD2 TYR 39 -5.261 -10.061 -1.927 309 HE1 TYR 39 HE1 TYR 39 -9.863 -8.219 -1.750 310 HE2 TYR 39 HE2 TYR 39 -6.509 -9.636 -4.027 311 HH TYR 39 HH TYR 39 -9.814 -9.100 -4.121 312 H GLY 40 H GLY 40 -3.096 -10.210 1.239 313 HA2 GLY 40 HA3 GLY 40 -1.359 -9.246 -0.919 314 HA3 GLY 40 HA2 GLY 40 -0.981 -10.544 0.215 315 H GLU 41 H GLU 41 -0.637 -12.379 -0.942 316 HA GLU 41 HA GLU 41 -2.070 -12.856 -3.478 317 HB2 GLU 41 HB3 GLU 41 0.043 -14.356 -1.899 318 HB3 GLU 41 HB2 GLU 41 -0.540 -14.857 -3.486 319 HG2 GLU 41 HG3 GLU 41 0.078 -12.125 -3.752 320 HG3 GLU 41 HG2 GLU 41 1.407 -12.816 -2.822 321 H LEU 42 H LEU 42 -2.624 -15.440 -3.629 322 HA LEU 42 HA LEU 42 -4.110 -17.149 -2.949 323 HB2 LEU 42 HB3 LEU 42 -2.411 -16.671 -0.906 324 HB3 LEU 42 HB2 LEU 42 -3.928 -16.234 -0.121 325 HG LEU 42 HG LEU 42 -4.709 -18.525 -1.292 326 HD11 LEU 42 HD11 LEU 42 -2.352 -18.794 -2.221 327 HD12 LEU 42 HD12 LEU 42 -2.963 -20.172 -1.304 328 HD13 LEU 42 HD13 LEU 42 -1.820 -19.054 -0.560 329 HD21 LEU 42 HD21 LEU 42 -5.096 -18.465 0.979 330 HD22 LEU 42 HD22 LEU 42 -3.476 -17.871 1.345 331 HD23 LEU 42 HD23 LEU 42 -3.728 -19.578 0.977 332 H ILE 43 H ILE 43 -6.349 -17.186 -2.913 333 HA ILE 43 HA ILE 43 -7.895 -14.809 -2.921 334 HB ILE 43 HB ILE 43 -9.792 -16.462 -2.669 335 HG12 ILE 43 HG13 ILE 43 -7.751 -18.652 -2.720 336 HG13 ILE 43 HG12 ILE 43 -8.140 -17.915 -1.166 337 HG21 ILE 43 HG21 ILE 43 -7.546 -17.196 -4.573 338 HG22 ILE 43 HG22 ILE 43 -8.814 -16.007 -4.871 339 HG23 ILE 43 HG23 ILE 43 -9.222 -17.718 -4.739 340 HD11 ILE 43 HD11 ILE 43 -9.562 -19.928 -1.788 341 HD12 ILE 43 HD12 ILE 43 -10.254 -18.940 -3.074 342 HD13 ILE 43 HD13 ILE 43 -10.465 -18.467 -1.387 343 H THR 44 H THR 44 -9.969 -14.901 -1.248 344 HA THR 44 HA THR 44 -8.906 -14.030 1.296 345 HB THR 44 HB THR 44 -11.692 -14.638 0.263 346 HG1 THR 44 HG1 THR 44 -11.565 -12.185 0.454 347 HG21 THR 44 HG21 THR 44 -11.902 -12.778 2.310 348 HG22 THR 44 HG22 THR 44 -10.727 -13.937 2.933 349 HG23 THR 44 HG23 THR 44 -12.325 -14.486 2.426 350 H ASN 45 H ASN 45 -11.605 -16.308 1.156 351 HA ASN 45 HA ASN 45 -11.941 -18.367 2.278 352 HB2 ASN 45 HB3 ASN 45 -9.586 -18.533 0.979 353 HB3 ASN 45 HB2 ASN 45 -8.994 -18.673 2.636 354 HD21 ASN 45 HD21 ASN 45 -8.464 -20.983 1.830 355 HD22 ASN 45 HD22 ASN 45 -9.691 -22.149 1.957 356 H ASP 46 H ASP 46 -12.491 -18.595 4.426 357 HA ASP 46 HA ASP 46 -10.635 -17.524 6.505 358 HB2 ASP 46 HB3 ASP 46 -13.122 -16.387 5.573 359 HB3 ASP 46 HB2 ASP 46 -13.275 -16.851 7.267 360 H LYS 47 H LYS 47 -11.335 -18.258 8.719 361 HA LYS 47 HA LYS 47 -11.877 -20.026 10.187 362 HB2 LYS 47 HB3 LYS 47 -14.138 -19.821 8.210 363 HB3 LYS 47 HB2 LYS 47 -14.181 -21.043 9.481 364 HG2 LYS 47 HG3 LYS 47 -13.855 -18.061 9.904 365 HG3 LYS 47 HG2 LYS 47 -15.316 -18.995 10.222 366 HD2 LYS 47 HD3 LYS 47 -13.843 -20.436 11.770 367 HD3 LYS 47 HD2 LYS 47 -12.665 -19.127 11.655 368 HE2 LYS 47 HE3 LYS 47 -13.887 -18.454 13.536 369 HE3 LYS 47 HE2 LYS 47 -14.782 -17.621 12.250 370 HZ1 LYS 47 HZ1 LYS 47 -16.540 -18.932 12.555 371 HZ2 LYS 47 HZ2 LYS 47 -15.803 -19.497 13.978 372 HZ3 LYS 47 HZ3 LYS 47 -15.600 -20.343 12.520 373 H TRP 48 H TRP 48 -12.445 -22.450 10.197 374 HA TRP 48 HA TRP 48 -11.920 -24.652 9.540 375 HB2 TRP 48 HB3 TRP 48 -12.007 -23.368 6.795 376 HB3 TRP 48 HB2 TRP 48 -12.202 -25.082 7.150 377 HD1 TRP 48 HD1 TRP 48 -14.166 -22.046 6.632 378 HE1 TRP 48 HE1 TRP 48 -16.589 -22.354 7.453 379 HE3 TRP 48 HE3 TRP 48 -13.641 -26.346 9.342 380 HZ2 TRP 48 HZ2 TRP 48 -18.105 -24.182 9.050 381 HZ3 TRP 48 HZ3 TRP 48 -15.589 -27.345 10.502 382 HH2 TRP 48 HH2 TRP 48 -17.818 -26.270 10.358 383 H THR 49 H THR 49 -9.735 -22.201 9.385 384 HA THR 49 HA THR 49 -7.426 -23.826 9.376 385 HB THR 49 HB THR 49 -7.823 -24.498 7.149 386 HG1 THR 49 HG1 THR 49 -6.339 -22.154 6.682 387 HG21 THR 49 HG21 THR 49 -8.218 -22.374 5.490 388 HG22 THR 49 HG22 THR 49 -9.032 -21.806 6.948 389 HG23 THR 49 HG23 THR 49 -9.527 -23.323 6.196 390 H ARG 50 H ARG 50 -5.417 -22.407 8.502 391 HA ARG 50 HA ARG 50 -5.826 -19.640 9.584 392 HB2 ARG 50 HB3 ARG 50 -4.203 -21.661 10.438 393 HB3 ARG 50 HB2 ARG 50 -3.118 -20.825 9.326 394 HG2 ARG 50 HG3 ARG 50 -4.013 -18.670 10.572 395 HG3 ARG 50 HG2 ARG 50 -4.376 -19.826 11.856 396 HD2 ARG 50 HD3 ARG 50 -2.185 -19.363 12.442 397 HD3 ARG 50 HD2 ARG 50 -1.859 -20.620 11.237 398 HE ARG 50 HE ARG 50 -1.242 -18.932 9.662 399 HH11 ARG 50 HH11 ARG 50 -2.541 -17.616 12.596 400 HH12 ARG 50 HH12 ARG 50 -2.025 -16.006 12.241 401 HH21 ARG 50 HH21 ARG 50 -0.577 -16.832 9.207 402 HH22 ARG 50 HH22 ARG 50 -0.922 -15.561 10.331 403 H ASN 51 H ASN 51 -5.571 -18.003 8.100 404 HA ASN 51 HA ASN 51 -4.965 -18.481 5.340 405 HB2 ASN 51 HB3 ASN 51 -5.031 -16.028 5.223 406 HB3 ASN 51 HB2 ASN 51 -6.313 -16.611 6.285 407 HD21 ASN 51 HD21 ASN 51 -6.278 -15.913 8.460 408 HD22 ASN 51 HD22 ASN 51 -5.034 -14.976 9.134 409 H ARG 52 H ARG 52 -3.085 -17.677 4.140 410 HA ARG 52 HA ARG 52 -0.551 -18.248 5.493 411 HB2 ARG 52 HB3 ARG 52 -1.461 -18.696 3.042 412 HB3 ARG 52 HB2 ARG 52 -0.810 -17.085 2.739 413 HG2 ARG 52 HG3 ARG 52 1.383 -17.831 3.659 414 HG3 ARG 52 HG2 ARG 52 0.722 -19.456 3.848 415 HD2 ARG 52 HD3 ARG 52 1.881 -19.461 1.738 416 HD3 ARG 52 HD2 ARG 52 0.156 -19.339 1.335 417 HE ARG 52 HE ARG 52 1.484 -16.753 1.740 418 HH11 ARG 52 HH11 ARG 52 0.587 -19.271 -0.455 419 HH12 ARG 52 HH12 ARG 52 0.632 -18.245 -1.848 420 HH21 ARG 52 HH21 ARG 52 1.545 -15.412 -0.075 421 HH22 ARG 52 HH22 ARG 52 1.173 -16.066 -1.635 422 HA PRO 53 HA PRO 53 0.208 -14.018 6.582 423 HB2 PRO 53 HB3 PRO 53 2.875 -14.303 7.174 424 HB3 PRO 53 HB2 PRO 53 1.571 -14.808 8.267 425 HG2 PRO 53 HG3 PRO 53 3.249 -16.445 6.442 426 HG3 PRO 53 HG2 PRO 53 2.628 -16.828 8.055 427 HD2 PRO 53 HD3 PRO 53 1.541 -17.795 5.746 428 HD3 PRO 53 HD2 PRO 53 0.618 -17.562 7.247 429 H ILE 54 H ILE 54 1.516 -12.203 5.744 430 HA ILE 54 HA ILE 54 2.103 -12.466 2.893 431 HB ILE 54 HB ILE 54 2.255 -10.223 4.928 432 HG12 ILE 54 HG13 ILE 54 -0.014 -10.908 4.461 433 HG13 ILE 54 HG12 ILE 54 0.279 -9.416 3.565 434 HG21 ILE 54 HG21 ILE 54 2.165 -9.020 2.466 435 HG22 ILE 54 HG22 ILE 54 3.213 -10.401 2.141 436 HG23 ILE 54 HG23 ILE 54 3.640 -9.248 3.407 437 HD11 ILE 54 HD11 ILE 54 -0.802 -10.935 2.048 438 HD12 ILE 54 HD12 ILE 54 0.300 -12.243 2.483 439 HD13 ILE 54 HD13 ILE 54 0.893 -10.854 1.571 440 H VAL 55 H VAL 55 4.110 -12.664 1.993 441 HA VAL 55 HA VAL 55 6.458 -12.857 3.811 442 HB VAL 55 HB VAL 55 6.047 -13.536 0.879 443 HG11 VAL 55 HG11 VAL 55 8.188 -14.799 2.501 444 HG12 VAL 55 HG12 VAL 55 8.430 -13.099 2.097 445 HG13 VAL 55 HG13 VAL 55 8.208 -14.287 0.813 446 HG21 VAL 55 HG21 VAL 55 6.008 -15.236 3.391 447 HG22 VAL 55 HG22 VAL 55 6.010 -15.883 1.750 448 HG23 VAL 55 HG23 VAL 55 4.648 -14.918 2.315 449 H SER 56 H SER 56 8.399 -11.631 3.337 450 HA SER 56 HA SER 56 7.978 -9.327 1.472 451 HB2 SER 56 HB3 SER 56 9.363 -8.098 3.308 452 HB3 SER 56 HB2 SER 56 7.661 -8.421 3.622 453 HG SER 56 HG SER 56 9.380 -9.042 5.254 454 H THR 57 H THR 57 9.839 -8.628 0.361 455 HA THR 57 HA THR 57 12.108 -10.553 0.399 456 HB THR 57 HB THR 57 12.554 -9.601 -1.821 457 HG1 THR 57 HG1 THR 57 11.959 -7.630 -2.125 458 HG21 THR 57 HG21 THR 57 10.973 -11.274 -2.091 459 HG22 THR 57 HG22 THR 57 10.089 -9.896 -2.745 460 HG23 THR 57 HG23 THR 57 9.773 -10.444 -1.099 461 H LYS 58 H LYS 58 14.117 -9.900 1.133 462 HA LYS 58 HA LYS 58 14.460 -6.991 1.786 463 HB2 LYS 58 HB3 LYS 58 16.053 -8.002 3.545 464 HB3 LYS 58 HB2 LYS 58 14.327 -8.251 3.801 465 HG2 LYS 58 HG3 LYS 58 15.654 -10.308 2.140 466 HG3 LYS 58 HG2 LYS 58 16.163 -10.264 3.829 467 HD2 LYS 58 HD3 LYS 58 13.257 -10.299 2.978 468 HD3 LYS 58 HD2 LYS 58 14.169 -11.760 3.359 469 HE2 LYS 58 HE3 LYS 58 14.211 -9.505 5.342 470 HE3 LYS 58 HE2 LYS 58 12.776 -10.547 5.260 471 HZ1 LYS 58 HZ1 LYS 58 15.589 -11.467 5.539 472 HZ2 LYS 58 HZ2 LYS 58 14.239 -12.485 5.380 473 HZ3 LYS 58 HZ3 LYS 58 14.407 -11.502 6.755 474 H LYS 59 H LYS 59 16.050 -6.021 0.615 475 HA LYS 59 HA LYS 59 18.312 -7.714 -0.398 476 HB2 LYS 59 HB3 LYS 59 16.415 -5.841 -1.724 477 HB3 LYS 59 HB2 LYS 59 18.096 -5.751 -2.253 478 HG2 LYS 59 HG3 LYS 59 17.187 -7.391 -3.672 479 HG3 LYS 59 HG2 LYS 59 17.949 -8.346 -2.399 480 HD2 LYS 59 HD3 LYS 59 15.921 -9.351 -2.216 481 HD3 LYS 59 HD2 LYS 59 15.452 -7.893 -1.344 482 HE2 LYS 59 HE3 LYS 59 15.162 -8.284 -4.345 483 HE3 LYS 59 HE2 LYS 59 13.839 -8.387 -3.165 484 HZ1 LYS 59 HZ1 LYS 59 14.541 -6.134 -2.390 485 HZ2 LYS 59 HZ2 LYS 59 13.886 -6.161 -3.957 486 HZ3 LYS 59 HZ3 LYS 59 15.567 -6.042 -3.736 487 H LEU 60 H LEU 60 20.290 -6.921 0.245 488 HA LEU 60 HA LEU 60 20.412 -4.055 1.119 489 HB2 LEU 60 HB3 LEU 60 22.300 -5.119 2.639 490 HB3 LEU 60 HB2 LEU 60 20.608 -5.239 3.111 491 HG LEU 60 HG LEU 60 20.510 -7.479 1.984 492 HD11 LEU 60 HD11 LEU 60 23.276 -6.670 1.310 493 HD12 LEU 60 HD12 LEU 60 22.188 -7.771 0.466 494 HD13 LEU 60 HD13 LEU 60 23.100 -8.334 1.866 495 HD21 LEU 60 HD21 LEU 60 21.247 -8.542 3.890 496 HD22 LEU 60 HD22 LEU 60 21.282 -6.880 4.479 497 HD23 LEU 60 HD23 LEU 60 22.768 -7.651 3.924 498 H ASP 61 H ASP 61 22.274 -2.897 0.517 499 HA ASP 61 HA ASP 61 23.879 -4.120 -1.665 500 HB2 ASP 61 HB3 ASP 61 24.525 -1.709 -1.996 501 HB3 ASP 61 HB2 ASP 61 22.783 -1.981 -2.070 502 H LYS 62 H LYS 62 26.243 -2.849 -1.551 503 HA LYS 62 HA LYS 62 27.668 -4.143 0.595 504 HB2 LYS 62 HB3 LYS 62 29.556 -2.754 -0.380 505 HB3 LYS 62 HB2 LYS 62 28.683 -3.732 -1.561 506 HG2 LYS 62 HG3 LYS 62 28.262 -1.857 -2.729 507 HG3 LYS 62 HG2 LYS 62 27.275 -1.292 -1.379 508 HD2 LYS 62 HD3 LYS 62 28.801 0.274 -0.853 509 HD3 LYS 62 HD2 LYS 62 30.070 -0.947 -0.754 510 HE2 LYS 62 HE3 LYS 62 30.829 0.455 -2.500 511 HE3 LYS 62 HE2 LYS 62 30.001 -0.842 -3.385 512 HZ1 LYS 62 HZ1 LYS 62 27.927 0.558 -3.094 513 HZ2 LYS 62 HZ2 LYS 62 29.073 1.133 -4.210 514 HZ3 LYS 62 HZ3 LYS 62 28.958 1.834 -2.666 515 H GLU 63 H GLU 63 25.818 -1.308 0.536 516 HA GLU 63 HA GLU 63 27.436 0.230 2.445 517 HB2 GLU 63 HB3 GLU 63 24.666 0.501 1.247 518 HB3 GLU 63 HB2 GLU 63 25.357 1.689 2.354 519 HG2 GLU 63 HG3 GLU 63 26.987 2.362 0.830 520 HG3 GLU 63 HG2 GLU 63 26.936 0.835 -0.052 521 H GLY 64 H GLY 64 25.140 -2.310 2.605 522 HA2 GLY 64 HA3 GLY 64 24.602 -3.484 4.628 523 HA3 GLY 64 HA2 GLY 64 25.087 -2.064 5.553 524 H ARG 65 H ARG 65 23.153 -1.013 3.037 525 HA ARG 65 HA ARG 65 20.868 -0.653 4.888 526 HB2 ARG 65 HB3 ARG 65 21.913 1.165 3.467 527 HB3 ARG 65 HB2 ARG 65 21.271 0.332 2.049 528 HG2 ARG 65 HG3 ARG 65 18.995 0.430 3.324 529 HG3 ARG 65 HG2 ARG 65 19.770 1.696 4.276 530 HD2 ARG 65 HD3 ARG 65 20.021 1.897 1.304 531 HD3 ARG 65 HD2 ARG 65 18.442 2.277 2.023 532 HE ARG 65 HE ARG 65 20.689 3.486 3.451 533 HH11 ARG 65 HH11 ARG 65 18.402 3.754 0.877 534 HH12 ARG 65 HH12 ARG 65 18.465 5.483 0.829 535 HH21 ARG 65 HH21 ARG 65 20.776 5.741 3.397 536 HH22 ARG 65 HH22 ARG 65 19.806 6.606 2.252 537 H THR 66 H THR 66 19.196 -2.096 4.851 538 HA THR 66 HA THR 66 18.893 -3.913 2.517 539 HB THR 66 HB THR 66 17.858 -3.809 5.357 540 HG1 THR 66 HG1 THR 66 19.979 -4.606 4.891 541 HG21 THR 66 HG21 THR 66 16.947 -5.472 3.028 542 HG22 THR 66 HG22 THR 66 15.987 -4.720 4.302 543 HG23 THR 66 HG23 THR 66 16.938 -6.163 4.651 544 H HIS 67 H HIS 67 17.075 -3.885 1.203 545 HA HIS 67 HA HIS 67 15.047 -1.740 1.737 546 HB2 HIS 67 HB3 HIS 67 16.014 -3.034 -0.837 547 HB3 HIS 67 HB2 HIS 67 14.798 -1.760 -0.742 548 HD1 HIS 67 HD1 HIS 67 18.298 -2.167 -1.297 549 HD2 HIS 67 HD2 HIS 67 16.010 0.617 0.800 550 HE1 HIS 67 HE1 HIS 67 19.760 -0.123 -0.990 551 H HIS 68 H HIS 68 12.818 -2.325 1.456 552 HA HIS 68 HA HIS 68 12.318 -5.276 1.203 553 HB2 HIS 68 HB3 HIS 68 12.005 -4.670 3.477 554 HB3 HIS 68 HB2 HIS 68 11.221 -3.150 3.048 555 HD1 HIS 68 HD1 HIS 68 8.967 -3.602 4.170 556 HD2 HIS 68 HD2 HIS 68 10.078 -6.605 1.499 557 HE1 HIS 68 HE1 HIS 68 6.939 -5.093 3.883 558 H TYR 69 H TYR 69 10.630 -5.878 -0.142 559 HA TYR 69 HA TYR 69 9.087 -3.673 -1.475 560 HB2 TYR 69 HB3 TYR 69 10.173 -6.313 -2.505 561 HB3 TYR 69 HB2 TYR 69 9.107 -5.262 -3.437 562 HD1 TYR 69 HD1 TYR 69 9.885 -3.133 -4.318 563 HD2 TYR 69 HD2 TYR 69 12.469 -5.625 -1.961 564 HE1 TYR 69 HE1 TYR 69 11.837 -1.778 -5.028 565 HE2 TYR 69 HE2 TYR 69 14.421 -4.270 -2.668 566 HH TYR 69 HH TYR 69 15.135 -2.606 -3.952 567 H MET 70 H MET 70 6.941 -3.801 -0.918 568 HA MET 70 HA MET 70 5.732 -6.522 -0.582 569 HB2 MET 70 HB3 MET 70 6.324 -5.457 1.597 570 HB3 MET 70 HB2 MET 70 5.298 -4.086 1.176 571 HG2 MET 70 HG3 MET 70 3.499 -5.192 1.945 572 HG3 MET 70 HG2 MET 70 3.783 -6.472 0.764 573 HE1 MET 70 HE1 MET 70 3.017 -5.961 4.210 574 HE2 MET 70 HE2 MET 70 3.230 -7.649 4.667 575 HE3 MET 70 HE3 MET 70 2.355 -7.247 3.192 576 H ARG 71 H ARG 71 3.631 -6.688 -1.411 577 HA ARG 71 HA ARG 71 2.203 -4.222 -2.252 578 HB2 ARG 71 HB3 ARG 71 2.087 -5.031 -4.574 579 HB3 ARG 71 HB2 ARG 71 3.772 -4.874 -4.073 580 HG2 ARG 71 HG3 ARG 71 4.134 -7.070 -4.409 581 HG3 ARG 71 HG2 ARG 71 2.771 -7.495 -3.376 582 HD2 ARG 71 HD3 ARG 71 1.379 -7.836 -5.154 583 HD3 ARG 71 HD2 ARG 71 2.016 -6.433 -6.036 584 HE ARG 71 HE ARG 71 3.994 -8.542 -5.823 585 HH11 ARG 71 HH11 ARG 71 1.179 -7.453 -7.502 586 HH12 ARG 71 HH12 ARG 71 1.564 -8.302 -8.962 587 HH21 ARG 71 HH21 ARG 71 4.502 -9.658 -7.718 588 HH22 ARG 71 HH22 ARG 71 3.441 -9.549 -9.084 589 H PHE 72 H PHE 72 -0.053 -4.574 -2.494 590 HA PHE 72 HA PHE 72 -1.096 -7.344 -2.254 591 HB2 PHE 72 HB3 PHE 72 -2.517 -6.536 -0.304 592 HB3 PHE 72 HB2 PHE 72 -0.793 -6.678 0.044 593 HD1 PHE 72 HD1 PHE 72 -3.306 -4.191 -1.207 594 HD2 PHE 72 HD2 PHE 72 0.333 -4.854 0.974 595 HE1 PHE 72 HE1 PHE 72 -3.237 -1.789 -0.594 596 HE2 PHE 72 HE2 PHE 72 0.404 -2.452 1.585 597 HZ PHE 72 HZ PHE 72 -1.380 -0.920 0.802 598 H HIS 73 H HIS 73 -3.329 -7.484 -2.926 599 HA HIS 73 HA HIS 73 -4.154 -5.301 -4.730 600 HB2 HIS 73 HB3 HIS 73 -5.016 -8.126 -4.123 601 HB3 HIS 73 HB2 HIS 73 -6.011 -7.083 -5.140 602 HD1 HIS 73 HD1 HIS 73 -3.529 -9.544 -5.517 603 HD2 HIS 73 HD2 HIS 73 -4.056 -5.774 -7.216 604 HE1 HIS 73 HE1 HIS 73 -2.134 -9.511 -7.631 605 H VAL 74 H VAL 74 -6.220 -4.259 -4.579 606 HA VAL 74 HA VAL 74 -7.515 -4.403 -1.874 607 HB VAL 74 HB VAL 74 -7.078 -2.026 -3.717 608 HG11 VAL 74 HG11 VAL 74 -7.882 -0.717 -1.767 609 HG12 VAL 74 HG12 VAL 74 -8.217 -2.222 -0.913 610 HG13 VAL 74 HG13 VAL 74 -9.120 -1.816 -2.372 611 HG21 VAL 74 HG21 VAL 74 -5.031 -1.932 -2.777 612 HG22 VAL 74 HG22 VAL 74 -5.401 -3.300 -1.728 613 HG23 VAL 74 HG23 VAL 74 -5.815 -1.662 -1.221 614 H GLU 75 H GLU 75 -9.714 -4.804 -1.964 615 HA GLU 75 HA GLU 75 -11.031 -4.598 -4.652 616 HB2 GLU 75 HB3 GLU 75 -10.598 -6.791 -3.062 617 HB3 GLU 75 HB2 GLU 75 -12.219 -6.310 -2.559 618 HG2 GLU 75 HG3 GLU 75 -12.985 -6.340 -4.882 619 HG3 GLU 75 HG2 GLU 75 -11.357 -6.732 -5.436 620 H SER 76 H SER 76 -12.484 -2.943 -4.722 621 HA SER 76 HA SER 76 -13.839 -2.117 -2.179 622 HB2 SER 76 HB3 SER 76 -13.988 0.066 -3.231 623 HB3 SER 76 HB2 SER 76 -12.334 -0.510 -3.418 624 HG SER 76 HG SER 76 -13.004 -1.287 -5.514 625 H LYS 77 H LYS 77 -16.119 -1.251 -2.585 626 HA LYS 77 HA LYS 77 -17.707 -3.243 -3.970 627 HB2 LYS 77 HB3 LYS 77 -18.475 -0.515 -2.880 628 HB3 LYS 77 HB2 LYS 77 -19.554 -1.887 -3.137 629 HG2 LYS 77 HG3 LYS 77 -17.637 -3.027 -1.561 630 HG3 LYS 77 HG2 LYS 77 -17.647 -1.378 -0.937 631 HD2 LYS 77 HD3 LYS 77 -20.036 -1.484 -0.527 632 HD3 LYS 77 HD2 LYS 77 -20.139 -3.060 -1.311 633 HE2 LYS 77 HE3 LYS 77 -18.604 -3.992 0.437 634 HE3 LYS 77 HE2 LYS 77 -18.655 -2.421 1.263 635 HZ1 LYS 77 HZ1 LYS 77 -20.843 -4.342 0.801 636 HZ2 LYS 77 HZ2 LYS 77 -21.193 -2.689 0.983 637 HZ3 LYS 77 HZ3 LYS 77 -20.415 -3.538 2.232 638 H LYS 78 H LYS 78 -16.153 -0.352 -4.982 639 HA LYS 78 HA LYS 78 -18.024 0.048 -7.268 640 HB2 LYS 78 HB3 LYS 78 -15.574 1.659 -6.527 641 HB3 LYS 78 HB2 LYS 78 -16.994 2.192 -7.428 642 HG2 LYS 78 HG3 LYS 78 -18.045 1.280 -5.014 643 HG3 LYS 78 HG2 LYS 78 -16.561 2.110 -4.541 644 HD2 LYS 78 HD3 LYS 78 -17.248 4.122 -5.718 645 HD3 LYS 78 HD2 LYS 78 -18.672 3.301 -6.361 646 HE2 LYS 78 HE3 LYS 78 -18.969 2.857 -3.664 647 HE3 LYS 78 HE2 LYS 78 -18.245 4.477 -3.689 648 HZ1 LYS 78 HZ1 LYS 78 -20.818 4.122 -4.072 649 HZ2 LYS 78 HZ2 LYS 78 -20.307 3.876 -5.672 650 HZ3 LYS 78 HZ3 LYS 78 -19.959 5.339 -4.882 651 H LYS 79 H LYS 79 -14.750 -1.023 -6.514 652 HA LYS 79 HA LYS 79 -14.433 -2.338 -9.065 653 HB2 LYS 79 HB3 LYS 79 -14.158 0.376 -9.202 654 HB3 LYS 79 HB2 LYS 79 -12.492 -0.105 -8.873 655 HG2 LYS 79 HG3 LYS 79 -12.892 -1.876 -10.751 656 HG3 LYS 79 HG2 LYS 79 -14.237 -0.834 -11.214 657 HD2 LYS 79 HD3 LYS 79 -11.311 -0.074 -11.032 658 HD3 LYS 79 HD2 LYS 79 -12.313 -0.126 -12.483 659 HE2 LYS 79 HE3 LYS 79 -13.775 1.660 -11.454 660 HE3 LYS 79 HE2 LYS 79 -12.579 1.798 -10.148 661 HZ1 LYS 79 HZ1 LYS 79 -10.872 2.017 -11.963 662 HZ2 LYS 79 HZ2 LYS 79 -11.924 3.341 -11.792 663 HZ3 LYS 79 HZ3 LYS 79 -12.156 2.225 -13.052 664 H ILE 80 H ILE 80 -11.588 -2.129 -9.223 665 HA ILE 80 HA ILE 80 -10.677 -3.086 -6.534 666 HB ILE 80 HB ILE 80 -9.998 -4.399 -9.177 667 HG12 ILE 80 HG13 ILE 80 -12.206 -5.102 -7.214 668 HG13 ILE 80 HG12 ILE 80 -12.433 -4.515 -8.862 669 HG21 ILE 80 HG21 ILE 80 -9.064 -6.104 -7.881 670 HG22 ILE 80 HG22 ILE 80 -10.034 -5.695 -6.466 671 HG23 ILE 80 HG23 ILE 80 -8.670 -4.676 -6.923 672 HD11 ILE 80 HD11 ILE 80 -11.685 -6.505 -9.819 673 HD12 ILE 80 HD12 ILE 80 -12.516 -7.101 -8.382 674 HD13 ILE 80 HD13 ILE 80 -10.758 -6.961 -8.389 675 H ALA 81 H ALA 81 -8.503 -2.558 -6.079 676 HA ALA 81 HA ALA 81 -6.989 -1.131 -8.236 677 HB1 ALA 81 HB1 ALA 81 -7.815 0.658 -7.003 678 HB2 ALA 81 HB2 ALA 81 -6.318 0.340 -6.126 679 HB3 ALA 81 HB3 ALA 81 -7.853 -0.265 -5.501 680 H LEU 82 H LEU 82 -4.656 -1.111 -7.872 681 HA LEU 82 HA LEU 82 -3.719 -3.307 -6.051 682 HB2 LEU 82 HB3 LEU 82 -3.364 -4.010 -8.273 683 HB3 LEU 82 HB2 LEU 82 -2.976 -2.379 -8.823 684 HG LEU 82 HG LEU 82 -0.877 -2.459 -7.483 685 HD11 LEU 82 HD11 LEU 82 -1.461 -4.023 -5.757 686 HD12 LEU 82 HD12 LEU 82 -0.178 -4.777 -6.705 687 HD13 LEU 82 HD13 LEU 82 -1.855 -5.271 -6.937 688 HD21 LEU 82 HD21 LEU 82 0.305 -3.619 -9.117 689 HD22 LEU 82 HD22 LEU 82 -1.238 -3.387 -9.941 690 HD23 LEU 82 HD23 LEU 82 -0.868 -4.933 -9.177 691 H VAL 83 H VAL 83 -2.344 -2.609 -4.441 692 HA VAL 83 HA VAL 83 -1.194 0.140 -4.699 693 HB VAL 83 HB VAL 83 -1.588 -1.629 -2.266 694 HG11 VAL 83 HG11 VAL 83 -0.968 1.319 -2.624 695 HG12 VAL 83 HG12 VAL 83 0.077 0.100 -1.893 696 HG13 VAL 83 HG13 VAL 83 -1.413 0.585 -1.082 697 HG21 VAL 83 HG21 VAL 83 -3.652 -0.501 -1.889 698 HG22 VAL 83 HG22 VAL 83 -3.681 -0.938 -3.597 699 HG23 VAL 83 HG23 VAL 83 -3.298 0.715 -3.117 700 H HIS 84 H HIS 84 0.983 0.374 -4.844 701 HA HIS 84 HA HIS 84 2.731 -1.978 -4.181 702 HB2 HIS 84 HB3 HIS 84 2.368 -0.335 -6.586 703 HB3 HIS 84 HB2 HIS 84 4.053 -0.424 -6.075 704 HD1 HIS 84 HD1 HIS 84 1.135 -2.718 -6.909 705 HD2 HIS 84 HD2 HIS 84 5.294 -2.852 -6.645 706 HE1 HIS 84 HE1 HIS 84 1.837 -4.988 -7.788 707 H LEU 85 H LEU 85 4.105 -1.450 -2.500 708 HA LEU 85 HA LEU 85 4.988 1.405 -2.273 709 HB2 LEU 85 HB3 LEU 85 4.540 1.294 0.105 710 HB3 LEU 85 HB2 LEU 85 3.094 0.747 -0.744 711 HG LEU 85 HG LEU 85 4.419 -1.609 -0.491 712 HD11 LEU 85 HD11 LEU 85 5.228 0.174 1.812 713 HD12 LEU 85 HD12 LEU 85 6.259 -0.843 0.806 714 HD13 LEU 85 HD13 LEU 85 5.163 -1.580 1.975 715 HD21 LEU 85 HD21 LEU 85 2.076 -1.157 0.134 716 HD22 LEU 85 HD22 LEU 85 2.620 -0.308 1.580 717 HD23 LEU 85 HD23 LEU 85 2.900 -2.042 1.418 718 H GLU 86 H GLU 86 7.080 1.695 -1.402 719 HA GLU 86 HA GLU 86 8.708 -0.797 -1.007 720 HB2 GLU 86 HB3 GLU 86 8.934 1.491 -2.830 721 HB3 GLU 86 HB2 GLU 86 10.414 1.209 -1.911 722 HG2 GLU 86 HG3 GLU 86 10.913 -0.538 -3.233 723 HG3 GLU 86 HG2 GLU 86 9.407 -1.327 -2.765 724 H ALA 87 H ALA 87 9.889 -0.783 0.910 725 HA ALA 87 HA ALA 87 9.910 1.785 2.465 726 HB1 ALA 87 HB1 ALA 87 9.387 0.526 4.328 727 HB2 ALA 87 HB2 ALA 87 10.264 -0.889 3.746 728 HB3 ALA 87 HB3 ALA 87 8.670 -0.509 3.094 729 H LYS 88 H LYS 88 11.844 2.286 3.642 730 HA LYS 88 HA LYS 88 14.269 0.694 2.870 731 HB2 LYS 88 HB3 LYS 88 14.188 2.699 1.533 732 HB3 LYS 88 HB2 LYS 88 13.774 3.684 2.936 733 HG2 LYS 88 HG3 LYS 88 16.024 2.847 3.921 734 HG3 LYS 88 HG2 LYS 88 16.411 2.389 2.263 735 HD2 LYS 88 HD3 LYS 88 17.222 4.678 2.835 736 HD3 LYS 88 HD2 LYS 88 16.063 4.684 1.507 737 HE2 LYS 88 HE3 LYS 88 14.309 5.506 2.891 738 HE3 LYS 88 HE2 LYS 88 15.196 5.115 4.377 739 HZ1 LYS 88 HZ1 LYS 88 16.537 6.898 4.163 740 HZ2 LYS 88 HZ2 LYS 88 15.255 7.525 3.240 741 HZ3 LYS 88 HZ3 LYS 88 16.588 6.807 2.470 742 H GLU 89 H GLU 89 15.731 0.356 4.563 743 HA GLU 89 HA GLU 89 14.815 1.120 7.275 744 HB2 GLU 89 HB3 GLU 89 16.455 -0.560 7.958 745 HB3 GLU 89 HB2 GLU 89 15.494 -1.201 6.627 746 HG2 GLU 89 HG3 GLU 89 17.551 -1.696 5.756 747 HG3 GLU 89 HG2 GLU 89 17.485 -0.014 5.226 748 H SER 90 H SER 90 15.767 2.768 8.416 749 HA SER 90 HA SER 90 18.444 3.769 7.499 750 HB2 SER 90 HB3 SER 90 17.105 5.489 6.765 751 HB3 SER 90 HB2 SER 90 15.805 5.085 7.884 752 HG SER 90 HG SER 90 18.258 6.079 8.838 753 H LYS 91 H LYS 91 19.910 3.793 9.164 754 HA LYS 91 HA LYS 91 20.775 3.743 11.363 755 HB2 LYS 91 HB3 LYS 91 19.428 5.927 11.200 756 HB3 LYS 91 HB2 LYS 91 18.156 5.078 12.082 757 HG2 LYS 91 HG3 LYS 91 21.016 5.357 13.050 758 HG3 LYS 91 HG2 LYS 91 19.680 6.377 13.583 759 HD2 LYS 91 HD3 LYS 91 18.565 3.964 14.014 760 HD3 LYS 91 HD2 LYS 91 20.261 3.529 14.225 761 HE2 LYS 91 HE3 LYS 91 18.976 5.892 15.637 762 HE3 LYS 91 HE2 LYS 91 19.127 4.279 16.363 763 HZ1 LYS 91 HZ1 LYS 91 21.524 4.364 15.816 764 HZ2 LYS 91 HZ2 LYS 91 21.059 5.546 16.944 765 HZ3 LYS 91 HZ3 LYS 91 21.333 5.975 15.323 766 H GLN 92 H GLN 92 20.820 1.738 12.309 767 HA GLN 92 HA GLN 92 20.091 -0.122 13.578 768 HB2 GLN 92 HB3 GLN 92 18.827 2.126 14.525 769 HB3 GLN 92 HB2 GLN 92 17.455 1.088 14.136 770 HG2 GLN 92 HG3 GLN 92 17.980 -0.445 15.753 771 HG3 GLN 92 HG2 GLN 92 19.718 -0.210 15.558 772 HE21 GLN 92 HE21 GLN 92 17.105 2.155 16.325 773 HE22 GLN 92 HE22 GLN 92 17.821 2.702 17.764 774 H ASN 93 H ASN 93 18.313 -1.830 13.547 775 HA ASN 93 HA ASN 93 17.216 -2.046 10.794 776 HB2 ASN 93 HB3 ASN 93 16.815 -4.426 11.603 777 HB3 ASN 93 HB2 ASN 93 18.503 -3.915 11.613 778 HD21 ASN 93 HD21 ASN 93 19.235 -5.180 13.396 779 HD22 ASN 93 HD22 ASN 93 18.637 -4.995 14.974 780 H TYR 94 H TYR 94 15.963 -0.222 12.767 781 HA TYR 94 HA TYR 94 13.614 -1.371 13.940 782 HB2 TYR 94 HB3 TYR 94 14.820 1.234 13.405 783 HB3 TYR 94 HB2 TYR 94 13.062 1.290 13.271 784 HD1 TYR 94 HD1 TYR 94 15.400 -0.670 15.461 785 HD2 TYR 94 HD2 TYR 94 12.140 2.119 15.247 786 HE1 TYR 94 HE1 TYR 94 15.208 -0.704 17.934 787 HE2 TYR 94 HE2 TYR 94 11.947 2.084 17.720 788 HH TYR 94 HH TYR 94 13.832 -0.162 19.676 789 H GLN 95 H GLN 95 11.485 0.146 12.920 790 HA GLN 95 HA GLN 95 10.698 -1.416 10.616 791 HB2 GLN 95 HB3 GLN 95 9.570 1.016 12.029 792 HB3 GLN 95 HB2 GLN 95 8.717 0.166 10.741 793 HG2 GLN 95 HG3 GLN 95 9.767 -1.310 13.152 794 HG3 GLN 95 HG2 GLN 95 8.189 -0.522 13.180 795 HE21 GLN 95 HE21 GLN 95 9.608 -3.473 12.565 796 HE22 GLN 95 HE22 GLN 95 8.457 -4.118 11.495 797 HA PRO 96 HA PRO 96 12.808 1.131 7.624 798 HB2 PRO 96 HB3 PRO 96 10.994 -0.193 5.704 799 HB3 PRO 96 HB2 PRO 96 12.765 -0.195 5.760 800 HG2 PRO 96 HG3 PRO 96 11.259 -2.344 6.409 801 HG3 PRO 96 HG2 PRO 96 12.854 -2.024 7.102 802 HD2 PRO 96 HD3 PRO 96 10.177 -1.747 8.332 803 HD3 PRO 96 HD2 PRO 96 11.748 -2.084 9.091 804 H ASP 97 H ASP 97 12.124 2.802 6.040 805 HA ASP 97 HA ASP 97 9.400 3.871 6.678 806 HB2 ASP 97 HB3 ASP 97 12.102 5.027 6.077 807 HB3 ASP 97 HB2 ASP 97 10.672 5.981 5.682 808 H PHE 98 H PHE 98 7.975 4.209 4.979 809 HA PHE 98 HA PHE 98 8.346 2.939 2.459 810 HB2 PHE 98 HB3 PHE 98 6.507 5.200 3.310 811 HB3 PHE 98 HB2 PHE 98 6.272 4.179 1.890 812 HD1 PHE 98 HD1 PHE 98 6.838 1.512 2.692 813 HD2 PHE 98 HD2 PHE 98 4.989 4.634 4.990 814 HE1 PHE 98 HE1 PHE 98 5.713 -0.191 4.099 815 HE2 PHE 98 HE2 PHE 98 3.864 2.930 6.398 816 HZ PHE 98 HZ PHE 98 4.225 0.518 5.952 817 H ILE 99 H ILE 99 9.239 3.665 0.557 818 HA ILE 99 HA ILE 99 10.191 6.512 0.476 819 HB ILE 99 HB ILE 99 11.907 5.389 -1.145 820 HG12 ILE 99 HG13 ILE 99 11.001 2.968 0.444 821 HG13 ILE 99 HG12 ILE 99 10.592 3.240 -1.251 822 HG21 ILE 99 HG21 ILE 99 12.751 6.206 0.893 823 HG22 ILE 99 HG22 ILE 99 13.178 4.495 0.940 824 HG23 ILE 99 HG23 ILE 99 11.785 5.081 1.848 825 HD11 ILE 99 HD11 ILE 99 12.624 1.768 -0.870 826 HD12 ILE 99 HD12 ILE 99 13.441 3.192 -0.225 827 HD13 ILE 99 HD13 ILE 99 12.906 3.168 -1.905 828 H ASN 100 H ASN 100 8.230 4.116 -0.996 829 HA ASN 100 HA ASN 100 7.458 5.988 -3.142 830 HB2 ASN 100 HB3 ASN 100 8.844 3.329 -3.578 831 HB3 ASN 100 HB2 ASN 100 7.916 4.131 -4.846 832 HD21 ASN 100 HD21 ASN 100 8.585 6.635 -5.029 833 HD22 ASN 100 HD22 ASN 100 10.258 6.924 -5.026 834 H MET 101 H MET 101 5.258 5.772 -3.405 835 HA MET 101 HA MET 101 3.995 3.111 -2.989 836 HB2 MET 101 HB3 MET 101 4.175 5.057 -0.995 837 HB3 MET 101 HB2 MET 101 2.548 5.263 -1.645 838 HG2 MET 101 HG3 MET 101 2.900 2.486 -1.466 839 HG3 MET 101 HG2 MET 101 3.595 3.127 0.023 840 HE1 MET 101 HE1 MET 101 1.238 1.282 -0.714 841 HE2 MET 101 HE2 MET 101 -0.273 1.766 0.050 842 HE3 MET 101 HE3 MET 101 1.165 1.515 1.037 843 H TYR 102 H TYR 102 2.579 2.828 -4.651 844 HA TYR 102 HA TYR 102 0.946 5.126 -5.596 845 HB2 TYR 102 HB3 TYR 102 1.679 4.825 -7.875 846 HB3 TYR 102 HB2 TYR 102 3.133 4.934 -6.883 847 HD1 TYR 102 HD1 TYR 102 0.782 2.508 -8.465 848 HD2 TYR 102 HD2 TYR 102 4.699 3.154 -6.822 849 HE1 TYR 102 HE1 TYR 102 1.488 0.271 -9.267 850 HE2 TYR 102 HE2 TYR 102 5.405 0.915 -7.626 851 HH TYR 102 HH TYR 102 4.566 -0.670 -9.614 852 H VAL 103 H VAL 103 -1.015 4.420 -6.630 853 HA VAL 103 HA VAL 103 -1.546 1.478 -6.385 854 HB VAL 103 HB VAL 103 -2.684 2.961 -4.734 855 HG11 VAL 103 HG11 VAL 103 -4.447 4.498 -5.587 856 HG12 VAL 103 HG12 VAL 103 -3.911 4.165 -7.234 857 HG13 VAL 103 HG13 VAL 103 -2.833 4.984 -6.104 858 HG21 VAL 103 HG21 VAL 103 -4.797 1.928 -4.942 859 HG22 VAL 103 HG22 VAL 103 -3.723 0.840 -5.823 860 HG23 VAL 103 HG23 VAL 103 -4.747 1.976 -6.703 861 H ASP 104 H ASP 104 -2.633 0.494 -8.132 862 HA ASP 104 HA ASP 104 -2.907 2.188 -10.587 863 HB2 ASP 104 HB3 ASP 104 -1.255 0.315 -10.552 864 HB3 ASP 104 HB2 ASP 104 -2.580 -0.810 -10.251 865 H VAL 105 H VAL 105 -4.965 2.535 -11.312 866 HA VAL 105 HA VAL 105 -7.114 0.634 -10.433 867 HB VAL 105 HB VAL 105 -8.447 2.941 -10.935 868 HG11 VAL 105 HG11 VAL 105 -7.141 2.935 -8.286 869 HG12 VAL 105 HG12 VAL 105 -7.881 1.403 -8.754 870 HG13 VAL 105 HG13 VAL 105 -8.854 2.872 -8.702 871 HG21 VAL 105 HG21 VAL 105 -7.172 4.857 -10.159 872 HG22 VAL 105 HG22 VAL 105 -6.283 4.109 -11.487 873 HG23 VAL 105 HG23 VAL 105 -5.771 3.841 -9.821 874 HA PRO 106 HA PRO 106 -7.420 -0.185 -14.800 875 HB2 PRO 106 HB3 PRO 106 -10.143 -1.091 -14.011 876 HB3 PRO 106 HB2 PRO 106 -8.869 -1.974 -14.873 877 HG2 PRO 106 HG3 PRO 106 -9.474 -2.483 -12.313 878 HG3 PRO 106 HG2 PRO 106 -7.828 -2.628 -12.946 879 HD2 PRO 106 HD3 PRO 106 -8.993 -0.546 -11.190 880 HD3 PRO 106 HD2 PRO 106 -7.324 -1.149 -11.288 881 H GLY 107 H GLY 107 -8.009 1.340 -16.298 882 HA2 GLY 107 HA3 GLY 107 -9.501 2.792 -17.460 883 HA3 GLY 107 HA2 GLY 107 -10.644 2.645 -16.125 884 H GLU 108 H GLU 108 -8.245 3.235 -14.263 885 HA GLU 108 HA GLU 108 -8.268 6.209 -14.682 886 HB2 GLU 108 HB3 GLU 108 -8.279 4.502 -12.171 887 HB3 GLU 108 HB2 GLU 108 -8.118 6.258 -12.167 888 HG2 GLU 108 HG3 GLU 108 -10.340 5.620 -13.829 889 HG3 GLU 108 HG2 GLU 108 -10.516 4.692 -12.339 890 H LYS 109 H LYS 109 -6.304 7.325 -13.914 891 HA LYS 109 HA LYS 109 -3.860 5.857 -14.574 892 HB2 LYS 109 HB3 LYS 109 -4.637 8.660 -13.779 893 HB3 LYS 109 HB2 LYS 109 -2.936 8.201 -13.852 894 HG2 LYS 109 HG3 LYS 109 -3.686 7.210 -16.215 895 HG3 LYS 109 HG2 LYS 109 -4.927 8.453 -16.064 896 HD2 LYS 109 HD3 LYS 109 -2.060 9.157 -15.508 897 HD3 LYS 109 HD2 LYS 109 -2.621 9.053 -17.178 898 HE2 LYS 109 HE3 LYS 109 -3.168 11.266 -16.790 899 HE3 LYS 109 HE2 LYS 109 -4.635 10.534 -16.110 900 HZ1 LYS 109 HZ1 LYS 109 -4.009 11.524 -14.217 901 HZ2 LYS 109 HZ2 LYS 109 -2.421 11.793 -14.755 902 HZ3 LYS 109 HZ3 LYS 109 -2.854 10.289 -14.094 903 H ARG 110 H ARG 110 -2.191 5.311 -13.098 904 HA ARG 110 HA ARG 110 -2.933 4.582 -10.442 905 HB2 ARG 110 HB3 ARG 110 -0.473 4.183 -10.226 906 HB3 ARG 110 HB2 ARG 110 -1.134 3.526 -11.724 907 HG2 ARG 110 HG3 ARG 110 -0.301 5.382 -13.003 908 HG3 ARG 110 HG2 ARG 110 0.129 6.272 -11.541 909 HD2 ARG 110 HD3 ARG 110 1.685 4.272 -11.000 910 HD3 ARG 110 HD2 ARG 110 1.470 3.822 -12.703 911 HE ARG 110 HE ARG 110 2.034 6.550 -12.765 912 HH11 ARG 110 HH11 ARG 110 3.520 3.692 -11.514 913 HH12 ARG 110 HH12 ARG 110 5.132 4.295 -11.701 914 HH21 ARG 110 HH21 ARG 110 4.130 7.342 -13.018 915 HH22 ARG 110 HH22 ARG 110 5.477 6.359 -12.551 916 H TYR 111 H TYR 111 -2.755 5.678 -8.501 917 HA TYR 111 HA TYR 111 -1.811 8.519 -8.630 918 HB2 TYR 111 HB3 TYR 111 -4.227 7.574 -7.958 919 HB3 TYR 111 HB2 TYR 111 -3.445 7.414 -6.385 920 HD1 TYR 111 HD1 TYR 111 -5.040 9.660 -8.669 921 HD2 TYR 111 HD2 TYR 111 -2.172 9.479 -5.478 922 HE1 TYR 111 HE1 TYR 111 -5.313 12.095 -8.287 923 HE2 TYR 111 HE2 TYR 111 -2.444 11.915 -5.094 924 HH TYR 111 HH TYR 111 -3.944 13.966 -7.296 925 H TYR 112 H TYR 112 -0.058 9.087 -7.367 926 HA TYR 112 HA TYR 112 1.329 6.989 -5.852 927 HB2 TYR 112 HB3 TYR 112 3.132 8.483 -5.948 928 HB3 TYR 112 HB2 TYR 112 2.221 8.930 -7.389 929 HD1 TYR 112 HD1 TYR 112 2.858 9.832 -3.837 930 HD2 TYR 112 HD2 TYR 112 1.226 11.092 -7.605 931 HE1 TYR 112 HE1 TYR 112 2.621 12.140 -2.961 932 HE2 TYR 112 HE2 TYR 112 0.989 13.401 -6.729 933 HH TYR 112 HH TYR 112 2.470 14.430 -3.838 934 H LEU 113 H LEU 113 1.583 6.942 -3.591 935 HA LEU 113 HA LEU 113 -0.334 8.635 -2.056 936 HB2 LEU 113 HB3 LEU 113 0.119 5.946 -2.126 937 HB3 LEU 113 HB2 LEU 113 1.152 6.413 -0.775 938 HG LEU 113 HG LEU 113 -1.027 5.921 0.130 939 HD11 LEU 113 HD11 LEU 113 -1.333 7.867 1.361 940 HD12 LEU 113 HD12 LEU 113 -1.148 8.910 -0.049 941 HD13 LEU 113 HD13 LEU 113 0.270 8.166 0.689 942 HD21 LEU 113 HD21 LEU 113 -2.310 8.038 -1.570 943 HD22 LEU 113 HD22 LEU 113 -3.045 6.632 -0.800 944 HD23 LEU 113 HD23 LEU 113 -2.064 6.430 -2.251 945 H ILE 114 H ILE 114 3.087 7.890 -2.401 946 HA ILE 114 HA ILE 114 3.688 9.942 -0.292 947 HB ILE 114 HB ILE 114 5.055 7.337 -1.027 948 HG12 ILE 114 HG13 ILE 114 3.657 8.386 1.450 949 HG13 ILE 114 HG12 ILE 114 3.182 7.009 0.454 950 HG21 ILE 114 HG21 ILE 114 6.975 8.063 -0.088 951 HG22 ILE 114 HG22 ILE 114 6.115 8.746 1.293 952 HG23 ILE 114 HG23 ILE 114 6.305 9.692 -0.183 953 HD11 ILE 114 HD11 ILE 114 5.148 5.766 1.122 954 HD12 ILE 114 HD12 ILE 114 4.362 6.365 2.584 955 HD13 ILE 114 HD13 ILE 114 5.804 7.169 1.964 956 H LYS 115 H LYS 115 5.533 8.208 -2.824 957 HA LYS 115 HA LYS 115 7.145 9.075 -4.338 958 HB2 LYS 115 HB3 LYS 115 4.582 9.741 -4.946 959 HB3 LYS 115 HB2 LYS 115 5.305 11.349 -4.858 960 HG2 LYS 115 HG3 LYS 115 7.152 9.740 -6.264 961 HG3 LYS 115 HG2 LYS 115 5.566 9.367 -6.939 962 HD2 LYS 115 HD3 LYS 115 5.555 12.147 -6.602 963 HD3 LYS 115 HD2 LYS 115 7.163 11.780 -7.228 964 HE2 LYS 115 HE3 LYS 115 6.060 11.860 -9.251 965 HE3 LYS 115 HE2 LYS 115 5.644 10.185 -8.837 966 HZ1 LYS 115 HZ1 LYS 115 3.587 11.200 -9.203 967 HZ2 LYS 115 HZ2 LYS 115 4.041 12.637 -8.419 968 HZ3 LYS 115 HZ3 LYS 115 3.747 11.228 -7.516
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