NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
639806 | 6i9f | 18632 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET -11 H1 MET -11 13.294 -29.488 -0.698 2 H2 MET -11 H2 MET -11 12.469 -30.774 0.024 3 H3 MET -11 H3 MET -11 13.601 -29.891 0.914 4 HA MET -11 HA MET -11 11.372 -29.280 1.539 5 HB2 MET -11 HB3 MET -11 12.873 -27.166 -0.015 6 HB3 MET -11 HB2 MET -11 11.544 -26.826 1.082 7 HG2 MET -11 HG3 MET -11 12.811 -27.682 2.944 8 HG3 MET -11 HG2 MET -11 14.122 -28.156 1.868 9 HE1 MET -11 HE1 MET -11 14.311 -25.708 -0.141 10 HE2 MET -11 HE2 MET -11 15.698 -26.488 0.617 11 HE3 MET -11 HE3 MET -11 15.534 -24.734 0.673 12 H ARG -10 H ARG -10 11.762 -27.510 -1.492 13 HA ARG -10 HA ARG -10 9.109 -28.495 -2.314 14 HB2 ARG -10 HB3 ARG -10 10.269 -25.742 -2.801 15 HB3 ARG -10 HB2 ARG -10 8.693 -26.306 -3.337 16 HG2 ARG -10 HG3 ARG -10 8.002 -26.551 -0.990 17 HG3 ARG -10 HG2 ARG -10 9.573 -25.936 -0.479 18 HD2 ARG -10 HD3 ARG -10 7.540 -24.449 -2.142 19 HD3 ARG -10 HD2 ARG -10 7.879 -24.178 -0.433 20 HE ARG -10 HE ARG -10 10.287 -23.897 -1.764 21 HH11 ARG -10 HH11 ARG -10 7.162 -22.309 -1.737 22 HH12 ARG -10 HH12 ARG -10 7.804 -20.770 -2.213 23 HH21 ARG -10 HH21 ARG -10 11.131 -21.872 -2.381 24 HH22 ARG -10 HH22 ARG -10 10.064 -20.517 -2.564 25 H GLY -9 H GLY -9 9.485 -29.890 -3.901 26 HA2 GLY -9 HA3 GLY -9 11.715 -29.878 -5.625 27 HA3 GLY -9 HA2 GLY -9 10.220 -30.762 -5.894 28 H SER -8 H SER -8 8.411 -28.721 -6.052 29 HA SER -8 HA SER -8 7.468 -27.240 -7.459 30 HB2 SER -8 HB3 SER -8 10.300 -26.192 -7.609 31 HB3 SER -8 HB2 SER -8 8.875 -25.329 -8.191 32 HG SER -8 HG SER -8 9.773 -25.036 -5.876 33 H HIS -7 H HIS -7 7.900 -29.649 -8.635 34 HA HIS -7 HA HIS -7 9.152 -29.375 -11.176 35 HB2 HIS -7 HB3 HIS -7 7.866 -31.447 -11.786 36 HB3 HIS -7 HB2 HIS -7 8.880 -31.602 -10.363 37 HD1 HIS -7 HD1 HIS -7 7.747 -32.250 -8.192 38 HD2 HIS -7 HD2 HIS -7 5.056 -31.430 -11.251 39 HE1 HIS -7 HE1 HIS -7 5.510 -33.027 -7.351 40 HE2 HIS -7 HE2 HIS -7 3.917 -32.620 -9.259 41 H HIS -6 H HIS -6 5.950 -28.770 -9.932 42 HA HIS -6 HA HIS -6 5.535 -26.583 -11.524 43 HB2 HIS -6 HB3 HIS -6 3.779 -27.244 -13.107 44 HB3 HIS -6 HB2 HIS -6 5.299 -28.035 -13.476 45 HD1 HIS -6 HD1 HIS -6 5.316 -30.569 -13.508 46 HD2 HIS -6 HD2 HIS -6 1.722 -28.976 -12.148 47 HE1 HIS -6 HE1 HIS -6 3.701 -32.494 -13.437 48 HE2 HIS -6 HE2 HIS -6 1.574 -31.532 -12.498 49 H HIS -5 H HIS -5 4.417 -25.439 -10.140 50 HA HIS -5 HA HIS -5 1.791 -26.214 -9.390 51 HB2 HIS -5 HB3 HIS -5 2.050 -26.249 -6.957 52 HB3 HIS -5 HB2 HIS -5 2.983 -27.534 -7.702 53 HD1 HIS -5 HD1 HIS -5 3.264 -25.549 -4.937 54 HD2 HIS -5 HD2 HIS -5 5.842 -26.178 -8.141 55 HE1 HIS -5 HE1 HIS -5 5.554 -24.933 -4.098 56 HE2 HIS -5 HE2 HIS -5 7.095 -25.272 -6.060 57 H HIS -4 H HIS -4 1.048 -24.340 -10.179 58 HA HIS -4 HA HIS -4 2.169 -21.842 -9.140 59 HB2 HIS -4 HB3 HIS -4 1.721 -22.241 -11.641 60 HB3 HIS -4 HB2 HIS -4 0.016 -22.075 -11.238 61 HD1 HIS -4 HD1 HIS -4 -0.880 -19.721 -10.876 62 HD2 HIS -4 HD2 HIS -4 3.250 -19.859 -11.325 63 HE1 HIS -4 HE1 HIS -4 -0.146 -17.334 -11.124 64 HE2 HIS -4 HE2 HIS -4 2.320 -17.465 -11.596 65 H HIS -3 H HIS -3 -0.991 -23.420 -9.611 66 HA HIS -3 HA HIS -3 -2.326 -21.582 -7.856 67 HB2 HIS -3 HB3 HIS -3 -3.203 -24.207 -9.072 68 HB3 HIS -3 HB2 HIS -3 -4.237 -23.225 -8.041 69 HD1 HIS -3 HD1 HIS -3 -4.771 -20.757 -8.995 70 HD2 HIS -3 HD2 HIS -3 -3.186 -23.480 -11.703 71 HE1 HIS -3 HE1 HIS -3 -5.237 -19.797 -11.268 72 HE2 HIS -3 HE2 HIS -3 -4.082 -21.354 -12.872 73 H HIS -2 H HIS -2 -0.759 -24.663 -7.547 74 HA HIS -2 HA HIS -2 -1.349 -24.651 -4.668 75 HB2 HIS -2 HB3 HIS -2 -0.253 -26.803 -6.481 76 HB3 HIS -2 HB2 HIS -2 -0.209 -26.931 -4.728 77 HD1 HIS -2 HD1 HIS -2 -2.305 -27.733 -3.576 78 HD2 HIS -2 HD2 HIS -2 -2.917 -26.783 -7.581 79 HE1 HIS -2 HE1 HIS -2 -4.633 -28.515 -4.112 80 HE2 HIS -2 HE2 HIS -2 -5.040 -27.757 -6.480 81 H GLY -1 H GLY -1 0.417 -22.801 -6.076 82 HA2 GLY -1 HA3 GLY -1 2.776 -23.230 -4.402 83 HA3 GLY -1 HA2 GLY -1 3.030 -23.005 -6.129 84 H SER 0 H SER 0 0.553 -21.438 -4.210 85 HA SER 0 HA SER 0 1.430 -18.854 -5.094 86 HB2 SER 0 HB3 SER 0 -0.702 -19.558 -3.062 87 HB3 SER 0 HB2 SER 0 -0.504 -18.011 -3.886 88 HG SER 0 HG SER 0 -0.819 -19.249 -5.883 89 H LYS 1 H LYS 1 2.794 -17.557 -4.085 90 HA LYS 1 HA LYS 1 4.172 -18.387 -1.740 91 HB2 LYS 1 HB3 LYS 1 4.174 -15.674 -3.070 92 HB3 LYS 1 HB2 LYS 1 5.401 -16.302 -1.978 93 HG2 LYS 1 HG3 LYS 1 6.126 -17.896 -3.590 94 HG3 LYS 1 HG2 LYS 1 4.751 -17.546 -4.640 95 HD2 LYS 1 HD3 LYS 1 5.617 -15.206 -4.853 96 HD3 LYS 1 HD2 LYS 1 7.060 -15.722 -3.977 97 HE2 LYS 1 HE3 LYS 1 7.598 -17.310 -5.709 98 HE3 LYS 1 HE2 LYS 1 6.087 -16.965 -6.547 99 HZ1 LYS 1 HZ1 LYS 1 7.920 -15.823 -7.594 100 HZ2 LYS 1 HZ2 LYS 1 8.329 -15.061 -6.143 101 HZ3 LYS 1 HZ3 LYS 1 6.867 -14.689 -6.908 102 H THR 2 H THR 2 2.867 -18.490 0.032 103 HA THR 2 HA THR 2 0.723 -16.737 0.587 104 HB THR 2 HB THR 2 2.229 -18.420 2.596 105 HG1 THR 2 HG1 THR 2 -0.008 -19.587 1.586 106 HG21 THR 2 HG21 THR 2 0.574 -16.900 3.559 107 HG22 THR 2 HG22 THR 2 0.042 -18.575 3.699 108 HG23 THR 2 HG23 THR 2 -0.654 -17.530 2.461 109 H LEU 3 H LEU 3 0.569 -15.020 2.117 110 HA LEU 3 HA LEU 3 2.724 -13.255 2.125 111 HB2 LEU 3 HB3 LEU 3 0.053 -13.308 3.244 112 HB3 LEU 3 HB2 LEU 3 1.189 -12.510 4.311 113 HG LEU 3 HG LEU 3 0.394 -11.722 1.520 114 HD11 LEU 3 HD11 LEU 3 -0.142 -9.623 2.609 115 HD12 LEU 3 HD12 LEU 3 0.463 -10.249 4.143 116 HD13 LEU 3 HD13 LEU 3 -0.977 -10.958 3.405 117 HD21 LEU 3 HD21 LEU 3 2.077 -9.921 1.721 118 HD22 LEU 3 HD22 LEU 3 2.786 -11.521 1.557 119 HD23 LEU 3 HD23 LEU 3 2.736 -10.740 3.138 120 HA PRO 4 HA PRO 4 5.022 -14.919 5.576 121 HB2 PRO 4 HB3 PRO 4 7.076 -13.146 5.356 122 HB3 PRO 4 HB2 PRO 4 6.936 -14.587 4.345 123 HG2 PRO 4 HG3 PRO 4 6.315 -11.749 3.702 124 HG3 PRO 4 HG2 PRO 4 6.996 -13.014 2.666 125 HD2 PRO 4 HD3 PRO 4 4.362 -12.194 2.616 126 HD3 PRO 4 HD2 PRO 4 4.929 -13.781 2.060 127 H ASP 5 H ASP 5 5.065 -14.333 7.654 128 HA ASP 5 HA ASP 5 3.356 -12.445 8.670 129 HB2 ASP 5 HB3 ASP 5 4.422 -12.827 10.844 130 HB3 ASP 5 HB2 ASP 5 4.204 -14.340 9.969 131 H LYS 6 H LYS 6 6.633 -11.957 7.661 132 HA LYS 6 HA LYS 6 7.305 -9.705 9.105 133 HB2 LYS 6 HB3 LYS 6 8.109 -10.598 6.348 134 HB3 LYS 6 HB2 LYS 6 8.777 -9.155 7.097 135 HG2 LYS 6 HG3 LYS 6 10.335 -10.864 7.501 136 HG3 LYS 6 HG2 LYS 6 9.479 -10.635 9.023 137 HD2 LYS 6 HD3 LYS 6 7.989 -12.557 8.317 138 HD3 LYS 6 HD2 LYS 6 9.146 -12.858 7.020 139 HE2 LYS 6 HE3 LYS 6 9.663 -14.296 8.873 140 HE3 LYS 6 HE2 LYS 6 10.926 -13.073 8.736 141 HZ1 LYS 6 HZ1 LYS 6 9.952 -11.859 10.544 142 HZ2 LYS 6 HZ2 LYS 6 10.187 -13.460 11.039 143 HZ3 LYS 6 HZ3 LYS 6 8.634 -12.922 10.622 144 H PHE 7 H PHE 7 5.109 -9.944 6.357 145 HA PHE 7 HA PHE 7 5.149 -7.045 6.052 146 HB2 PHE 7 HB3 PHE 7 3.698 -9.207 4.522 147 HB3 PHE 7 HB2 PHE 7 3.502 -7.489 4.205 148 HD1 PHE 7 HD1 PHE 7 6.067 -6.343 4.184 149 HD2 PHE 7 HD2 PHE 7 4.915 -10.228 2.884 150 HE1 PHE 7 HE1 PHE 7 7.986 -6.396 2.647 151 HE2 PHE 7 HE2 PHE 7 6.837 -10.289 1.353 152 HZ PHE 7 HZ PHE 7 8.372 -8.374 1.232 153 H LEU 8 H LEU 8 3.709 -9.038 8.198 154 HA LEU 8 HA LEU 8 1.002 -8.017 7.805 155 HB2 LEU 8 HB3 LEU 8 2.041 -10.264 9.519 156 HB3 LEU 8 HB2 LEU 8 0.357 -9.772 9.431 157 HG LEU 8 HG LEU 8 1.988 -10.816 7.114 158 HD11 LEU 8 HD11 LEU 8 0.682 -12.811 7.278 159 HD12 LEU 8 HD12 LEU 8 -0.253 -12.143 8.616 160 HD13 LEU 8 HD13 LEU 8 1.458 -12.508 8.833 161 HD21 LEU 8 HD21 LEU 8 -0.234 -10.912 5.997 162 HD22 LEU 8 HD22 LEU 8 0.342 -9.279 6.325 163 HD23 LEU 8 HD23 LEU 8 -0.899 -9.995 7.350 164 H GLY 9 H GLY 9 -0.206 -7.170 9.471 165 HA2 GLY 9 HA3 GLY 9 -0.211 -6.484 11.884 166 HA3 GLY 9 HA2 GLY 9 1.401 -5.855 11.570 167 H THR 10 H THR 10 -0.646 -4.249 12.561 168 HA THR 10 HA THR 10 -1.476 -2.589 10.325 169 HB THR 10 HB THR 10 -1.897 -2.214 13.301 170 HG1 THR 10 HG1 THR 10 -2.992 -3.967 11.723 171 HG21 THR 10 HG21 THR 10 -3.143 -0.812 10.935 172 HG22 THR 10 HG22 THR 10 -2.004 -0.109 12.078 173 HG23 THR 10 HG23 THR 10 -3.610 -0.589 12.621 174 H PHE 11 H PHE 11 -0.293 -0.933 9.625 175 HA PHE 11 HA PHE 11 1.964 -0.042 11.305 176 HB2 PHE 11 HB3 PHE 11 1.791 -0.122 8.283 177 HB3 PHE 11 HB2 PHE 11 3.187 0.391 9.223 178 HD1 PHE 11 HD1 PHE 11 4.239 -1.360 10.789 179 HD2 PHE 11 HD2 PHE 11 1.574 -2.332 7.617 180 HE1 PHE 11 HE1 PHE 11 5.086 -3.667 10.790 181 HE2 PHE 11 HE2 PHE 11 2.416 -4.644 7.615 182 HZ PHE 11 HZ PHE 11 4.173 -5.314 9.182 183 H LYS 12 H LYS 12 2.011 2.114 11.871 184 HA LYS 12 HA LYS 12 0.207 3.905 10.421 185 HB2 LYS 12 HB3 LYS 12 0.666 5.538 12.100 186 HB3 LYS 12 HB2 LYS 12 0.354 4.011 12.907 187 HG2 LYS 12 HG3 LYS 12 2.670 3.689 13.355 188 HG3 LYS 12 HG2 LYS 12 3.112 5.068 12.344 189 HD2 LYS 12 HD3 LYS 12 1.456 5.213 14.854 190 HD3 LYS 12 HD2 LYS 12 3.179 5.577 14.761 191 HE2 LYS 12 HE3 LYS 12 0.958 7.028 13.319 192 HE3 LYS 12 HE2 LYS 12 1.851 7.619 14.714 193 HZ1 LYS 12 HZ1 LYS 12 2.979 7.090 12.016 194 HZ2 LYS 12 HZ2 LYS 12 3.878 7.596 13.359 195 HZ3 LYS 12 HZ3 LYS 12 2.693 8.607 12.703 196 H LEU 13 H LEU 13 0.854 5.303 8.914 197 HA LEU 13 HA LEU 13 3.419 5.438 7.831 198 HB2 LEU 13 HB3 LEU 13 1.094 6.333 7.003 199 HB3 LEU 13 HB2 LEU 13 1.574 7.803 7.825 200 HG LEU 13 HG LEU 13 3.163 6.508 5.607 201 HD11 LEU 13 HD11 LEU 13 1.275 8.853 5.525 202 HD12 LEU 13 HD12 LEU 13 1.003 7.271 4.794 203 HD13 LEU 13 HD13 LEU 13 2.302 8.307 4.200 204 HD21 LEU 13 HD21 LEU 13 4.332 8.639 5.517 205 HD22 LEU 13 HD22 LEU 13 4.498 7.901 7.110 206 HD23 LEU 13 HD23 LEU 13 3.371 9.237 6.869 207 H GLU 14 H GLU 14 5.256 6.350 8.573 208 HA GLU 14 HA GLU 14 5.037 8.094 10.927 209 HB2 GLU 14 HB3 GLU 14 6.416 5.979 11.037 210 HB3 GLU 14 HB2 GLU 14 7.517 6.719 9.886 211 HG2 GLU 14 HG3 GLU 14 8.447 7.033 12.036 212 HG3 GLU 14 HG2 GLU 14 7.820 8.594 11.514 213 H ARG 15 H ARG 15 6.671 7.830 7.791 214 HA ARG 15 HA ARG 15 6.681 10.696 7.475 215 HB2 ARG 15 HB3 ARG 15 9.106 10.888 7.203 216 HB3 ARG 15 HB2 ARG 15 8.711 10.331 8.827 217 HG2 ARG 15 HG3 ARG 15 9.214 8.043 8.182 218 HG3 ARG 15 HG2 ARG 15 9.579 8.585 6.540 219 HD2 ARG 15 HD3 ARG 15 11.610 8.245 7.827 220 HD3 ARG 15 HD2 ARG 15 11.413 9.942 7.399 221 HE ARG 15 HE ARG 15 10.315 9.815 9.859 222 HH11 ARG 15 HH11 ARG 15 13.392 8.759 8.571 223 HH12 ARG 15 HH12 ARG 15 14.231 8.954 10.077 224 HH21 ARG 15 HH21 ARG 15 11.413 10.091 11.833 225 HH22 ARG 15 HH22 ARG 15 13.104 9.713 11.937 226 H ASP 16 H ASP 16 7.989 11.171 5.325 227 HA ASP 16 HA ASP 16 7.964 8.935 3.495 228 HB2 ASP 16 HB3 ASP 16 6.576 10.182 1.810 229 HB3 ASP 16 HB2 ASP 16 5.705 9.567 3.206 230 H GLU 17 H GLU 17 8.707 9.606 1.283 231 HA GLU 17 HA GLU 17 10.572 11.850 1.339 232 HB2 GLU 17 HB3 GLU 17 11.754 9.922 2.340 233 HB3 GLU 17 HB2 GLU 17 11.415 8.976 0.899 234 HG2 GLU 17 HG3 GLU 17 12.720 10.651 -0.410 235 HG3 GLU 17 HG2 GLU 17 13.164 11.400 1.124 236 H ASN 18 H ASN 18 10.428 12.857 -0.564 237 HA ASN 18 HA ASN 18 10.437 13.264 -2.805 238 HB2 ASN 18 HB3 ASN 18 12.012 11.220 -2.760 239 HB3 ASN 18 HB2 ASN 18 10.627 10.301 -3.331 240 HD21 ASN 18 HD21 ASN 18 11.564 9.793 -5.275 241 HD22 ASN 18 HD22 ASN 18 11.826 10.964 -6.524 242 H PHE 19 H PHE 19 8.035 12.582 -1.246 243 HA PHE 19 HA PHE 19 6.313 11.047 -2.969 244 HB2 PHE 19 HB3 PHE 19 6.081 11.070 -0.469 245 HB3 PHE 19 HB2 PHE 19 5.463 12.715 -0.599 246 HD1 PHE 19 HD1 PHE 19 4.861 9.495 -2.383 247 HD2 PHE 19 HD2 PHE 19 3.173 12.838 -0.363 248 HE1 PHE 19 HE1 PHE 19 2.609 8.598 -2.795 249 HE2 PHE 19 HE2 PHE 19 0.916 11.942 -0.770 250 HZ PHE 19 HZ PHE 19 0.630 9.818 -1.990 251 H ASP 20 H ASP 20 6.746 14.486 -2.234 252 HA ASP 20 HA ASP 20 4.568 15.450 -3.688 253 HB2 ASP 20 HB3 ASP 20 5.692 17.588 -3.723 254 HB3 ASP 20 HB2 ASP 20 5.967 16.833 -2.161 255 H GLU 21 H GLU 21 7.916 14.876 -4.741 256 HA GLU 21 HA GLU 21 7.669 15.558 -7.412 257 HB2 GLU 21 HB3 GLU 21 9.342 13.454 -6.071 258 HB3 GLU 21 HB2 GLU 21 9.456 13.789 -7.794 259 HG2 GLU 21 HG3 GLU 21 9.901 15.796 -5.613 260 HG3 GLU 21 HG2 GLU 21 11.163 14.938 -6.479 261 H TYR 22 H TYR 22 6.948 12.450 -5.850 262 HA TYR 22 HA TYR 22 6.169 11.052 -8.144 263 HB2 TYR 22 HB3 TYR 22 6.479 9.909 -6.019 264 HB3 TYR 22 HB2 TYR 22 5.136 10.800 -5.310 265 HD1 TYR 22 HD1 TYR 22 2.863 10.134 -5.699 266 HD2 TYR 22 HD2 TYR 22 6.048 8.153 -7.711 267 HE1 TYR 22 HE1 TYR 22 1.312 8.359 -6.402 268 HE2 TYR 22 HE2 TYR 22 4.504 6.375 -8.418 269 HH TYR 22 HH TYR 22 2.413 5.432 -7.946 270 H LEU 23 H LEU 23 4.355 13.267 -6.066 271 HA LEU 23 HA LEU 23 1.818 12.721 -7.223 272 HB2 LEU 23 HB3 LEU 23 2.832 15.113 -5.687 273 HB3 LEU 23 HB2 LEU 23 1.158 14.891 -6.160 274 HG LEU 23 HG LEU 23 2.718 13.080 -4.317 275 HD11 LEU 23 HD11 LEU 23 1.256 13.932 -2.583 276 HD12 LEU 23 HD12 LEU 23 0.457 14.983 -3.750 277 HD13 LEU 23 HD13 LEU 23 2.148 15.258 -3.333 278 HD21 LEU 23 HD21 LEU 23 -0.151 13.001 -5.235 279 HD22 LEU 23 HD22 LEU 23 0.520 12.023 -3.931 280 HD23 LEU 23 HD23 LEU 23 1.104 11.810 -5.579 281 H LYS 24 H LYS 24 4.348 15.086 -7.877 282 HA LYS 24 HA LYS 24 3.006 16.609 -9.823 283 HB2 LYS 24 HB3 LYS 24 5.947 15.936 -9.592 284 HB3 LYS 24 HB2 LYS 24 5.283 17.190 -10.627 285 HG2 LYS 24 HG3 LYS 24 4.459 18.378 -8.653 286 HG3 LYS 24 HG2 LYS 24 5.132 17.118 -7.621 287 HD2 LYS 24 HD3 LYS 24 6.579 19.116 -7.768 288 HD3 LYS 24 HD2 LYS 24 7.370 17.652 -8.353 289 HE2 LYS 24 HE3 LYS 24 7.801 19.606 -9.792 290 HE3 LYS 24 HE2 LYS 24 6.974 18.305 -10.645 291 HZ1 LYS 24 HZ1 LYS 24 6.033 20.470 -11.169 292 HZ2 LYS 24 HZ2 LYS 24 5.675 20.737 -9.543 293 HZ3 LYS 24 HZ3 LYS 24 4.892 19.501 -10.385 294 H ALA 25 H ALA 25 5.185 13.857 -10.141 295 HA ALA 25 HA ALA 25 4.953 13.502 -12.918 296 HB1 ALA 25 HB1 ALA 25 5.530 11.417 -10.815 297 HB2 ALA 25 HB2 ALA 25 6.719 12.453 -11.603 298 HB3 ALA 25 HB3 ALA 25 5.835 11.253 -12.544 299 H ARG 26 H ARG 26 3.029 12.275 -10.249 300 HA ARG 26 HA ARG 26 1.511 10.441 -11.814 301 HB2 ARG 26 HB3 ARG 26 1.891 10.342 -9.314 302 HB3 ARG 26 HB2 ARG 26 0.709 11.631 -9.162 303 HG2 ARG 26 HG3 ARG 26 -0.266 9.439 -8.723 304 HG3 ARG 26 HG2 ARG 26 -1.003 10.209 -10.128 305 HD2 ARG 26 HD3 ARG 26 0.323 8.841 -11.617 306 HD3 ARG 26 HD2 ARG 26 1.184 8.136 -10.250 307 HE ARG 26 HE ARG 26 -0.951 7.116 -9.573 308 HH11 ARG 26 HH11 ARG 26 -0.628 8.234 -12.894 309 HH12 ARG 26 HH12 ARG 26 -1.821 7.134 -13.510 310 HH21 ARG 26 HH21 ARG 26 -2.518 5.677 -10.405 311 HH22 ARG 26 HH22 ARG 26 -2.883 5.680 -12.109 312 H GLY 27 H GLY 27 1.431 13.803 -11.604 313 HA2 GLY 27 HA3 GLY 27 0.178 14.997 -13.234 314 HA3 GLY 27 HA2 GLY 27 -1.049 13.743 -13.171 315 H TYR 28 H TYR 28 0.280 15.162 -10.257 316 HA TYR 28 HA TYR 28 -2.291 16.528 -9.847 317 HB2 TYR 28 HB3 TYR 28 -0.237 15.624 -7.815 318 HB3 TYR 28 HB2 TYR 28 -1.756 16.434 -7.437 319 HD1 TYR 28 HD1 TYR 28 -0.186 13.306 -7.759 320 HD2 TYR 28 HD2 TYR 28 -3.904 15.263 -8.428 321 HE1 TYR 28 HE1 TYR 28 -1.326 11.128 -7.758 322 HE2 TYR 28 HE2 TYR 28 -5.054 13.094 -8.433 323 HH TYR 28 HH TYR 28 -3.583 10.222 -7.400 324 H GLY 29 H GLY 29 -2.320 18.595 -10.085 325 HA2 GLY 29 HA3 GLY 29 -0.037 20.070 -10.817 326 HA3 GLY 29 HA2 GLY 29 -1.642 20.723 -10.549 327 H TRP 30 H TRP 30 -2.195 20.750 -8.039 328 HA TRP 30 HA TRP 30 0.096 21.383 -6.402 329 HB2 TRP 30 HB3 TRP 30 -0.122 23.440 -7.722 330 HB3 TRP 30 HB2 TRP 30 -1.807 23.584 -7.234 331 HD1 TRP 30 HD1 TRP 30 1.745 23.842 -5.760 332 HE1 TRP 30 HE1 TRP 30 1.625 25.284 -3.630 333 HE3 TRP 30 HE3 TRP 30 -3.313 24.428 -5.473 334 HZ2 TRP 30 HZ2 TRP 30 -0.367 26.512 -2.039 335 HZ3 TRP 30 HZ3 TRP 30 -4.253 25.747 -3.625 336 HH2 TRP 30 HH2 TRP 30 -2.812 26.761 -1.947 337 H ILE 31 H ILE 31 -3.392 22.152 -6.602 338 HA ILE 31 HA ILE 31 -3.942 22.201 -3.906 339 HB ILE 31 HB ILE 31 -5.549 21.785 -6.345 340 HG12 ILE 31 HG13 ILE 31 -5.130 23.991 -5.311 341 HG13 ILE 31 HG12 ILE 31 -6.845 23.600 -5.395 342 HG21 ILE 31 HG21 ILE 31 -6.665 21.032 -3.648 343 HG22 ILE 31 HG22 ILE 31 -6.414 19.941 -5.013 344 HG23 ILE 31 HG23 ILE 31 -7.605 21.240 -5.127 345 HD11 ILE 31 HD11 ILE 31 -6.291 24.613 -3.269 346 HD12 ILE 31 HD12 ILE 31 -5.084 23.360 -2.973 347 HD13 ILE 31 HD13 ILE 31 -6.793 22.937 -3.045 348 H MET 32 H MET 32 -4.237 19.422 -6.066 349 HA MET 32 HA MET 32 -5.037 17.570 -4.164 350 HB2 MET 32 HB3 MET 32 -3.469 17.198 -6.706 351 HB3 MET 32 HB2 MET 32 -4.044 15.856 -5.725 352 HG2 MET 32 HG3 MET 32 -5.651 17.886 -7.219 353 HG3 MET 32 HG2 MET 32 -5.628 16.143 -7.428 354 HE1 MET 32 HE1 MET 32 -5.542 15.517 -4.139 355 HE2 MET 32 HE2 MET 32 -6.307 14.507 -5.366 356 HE3 MET 32 HE3 MET 32 -7.234 15.049 -3.959 357 H ARG 33 H ARG 33 -1.785 18.639 -5.031 358 HA ARG 33 HA ARG 33 -0.399 16.656 -3.574 359 HB2 ARG 33 HB3 ARG 33 0.582 19.472 -4.011 360 HB3 ARG 33 HB2 ARG 33 1.548 18.023 -3.779 361 HG2 ARG 33 HG3 ARG 33 0.597 17.191 -5.963 362 HG3 ARG 33 HG2 ARG 33 -0.053 18.815 -6.192 363 HD2 ARG 33 HD3 ARG 33 2.794 17.904 -6.118 364 HD3 ARG 33 HD2 ARG 33 1.978 18.916 -7.306 365 HE ARG 33 HE ARG 33 2.366 19.967 -4.598 366 HH11 ARG 33 HH11 ARG 33 3.123 20.118 -8.016 367 HH12 ARG 33 HH12 ARG 33 4.049 21.575 -7.869 368 HH21 ARG 33 HH21 ARG 33 3.579 21.878 -4.411 369 HH22 ARG 33 HH22 ARG 33 4.309 22.580 -5.819 370 H GLN 34 H GLN 34 -2.046 19.544 -2.668 371 HA GLN 34 HA GLN 34 -0.790 19.804 -0.096 372 HB2 GLN 34 HB3 GLN 34 -3.335 21.051 -1.157 373 HB3 GLN 34 HB2 GLN 34 -2.499 21.525 0.315 374 HG2 GLN 34 HG3 GLN 34 -1.438 21.757 -2.493 375 HG3 GLN 34 HG2 GLN 34 -2.031 23.076 -1.487 376 HE21 GLN 34 HE21 GLN 34 -0.805 22.062 0.937 377 HE22 GLN 34 HE22 GLN 34 0.893 22.349 0.787 378 H VAL 35 H VAL 35 -3.466 18.053 -1.427 379 HA VAL 35 HA VAL 35 -4.574 17.401 1.166 380 HB VAL 35 HB VAL 35 -5.199 16.269 -1.572 381 HG11 VAL 35 HG11 VAL 35 -5.893 14.851 0.322 382 HG12 VAL 35 HG12 VAL 35 -7.249 15.467 -0.624 383 HG13 VAL 35 HG13 VAL 35 -6.856 16.195 0.938 384 HG21 VAL 35 HG21 VAL 35 -5.597 18.685 -1.462 385 HG22 VAL 35 HG22 VAL 35 -6.646 18.433 -0.064 386 HG23 VAL 35 HG23 VAL 35 -7.089 17.759 -1.634 387 H ILE 36 H ILE 36 -3.397 15.511 -1.578 388 HA ILE 36 HA ILE 36 -3.378 13.026 -0.563 389 HB ILE 36 HB ILE 36 -1.259 13.998 -2.440 390 HG12 ILE 36 HG13 ILE 36 -4.109 13.140 -3.038 391 HG13 ILE 36 HG12 ILE 36 -3.571 14.813 -3.038 392 HG21 ILE 36 HG21 ILE 36 -1.020 11.720 -1.666 393 HG22 ILE 36 HG22 ILE 36 -1.601 11.717 -3.333 394 HG23 ILE 36 HG23 ILE 36 -2.725 11.409 -2.006 395 HD11 ILE 36 HD11 ILE 36 -2.048 14.329 -4.873 396 HD12 ILE 36 HD12 ILE 36 -3.717 13.934 -5.286 397 HD13 ILE 36 HD13 ILE 36 -2.580 12.647 -4.869 398 H LYS 37 H LYS 37 -0.516 15.213 -0.267 399 HA LYS 37 HA LYS 37 0.883 13.032 1.028 400 HB2 LYS 37 HB3 LYS 37 2.818 14.467 1.113 401 HB3 LYS 37 HB2 LYS 37 2.104 14.537 -0.490 402 HG2 LYS 37 HG3 LYS 37 1.275 16.693 -0.149 403 HG3 LYS 37 HG2 LYS 37 1.504 16.588 1.595 404 HD2 LYS 37 HD3 LYS 37 3.923 16.551 1.287 405 HD3 LYS 37 HD2 LYS 37 3.706 16.636 -0.462 406 HE2 LYS 37 HE3 LYS 37 2.818 18.819 -0.340 407 HE3 LYS 37 HE2 LYS 37 2.613 18.720 1.410 408 HZ1 LYS 37 HZ1 LYS 37 4.977 18.745 1.691 409 HZ2 LYS 37 HZ2 LYS 37 4.543 20.061 0.720 410 HZ3 LYS 37 HZ3 LYS 37 5.235 18.688 0.021 411 H LEU 38 H LEU 38 -1.342 15.192 2.104 412 HA LEU 38 HA LEU 38 -0.140 15.499 4.758 413 HB2 LEU 38 HB3 LEU 38 -2.433 16.781 3.343 414 HB3 LEU 38 HB2 LEU 38 -2.481 16.701 5.091 415 HG LEU 38 HG LEU 38 -1.631 18.855 4.328 416 HD11 LEU 38 HD11 LEU 38 0.522 17.188 5.617 417 HD12 LEU 38 HD12 LEU 38 -0.831 17.949 6.452 418 HD13 LEU 38 HD13 LEU 38 0.391 18.946 5.664 419 HD21 LEU 38 HD21 LEU 38 -0.647 18.092 2.208 420 HD22 LEU 38 HD22 LEU 38 0.650 17.312 3.116 421 HD23 LEU 38 HD23 LEU 38 0.473 19.065 3.163 422 H ALA 39 H ALA 39 -1.956 13.299 3.110 423 HA ALA 39 HA ALA 39 -3.784 12.576 5.214 424 HB1 ALA 39 HB1 ALA 39 -4.406 10.725 3.750 425 HB2 ALA 39 HB2 ALA 39 -3.062 11.114 2.678 426 HB3 ALA 39 HB3 ALA 39 -4.394 12.254 2.870 427 H GLY 40 H GLY 40 -2.973 11.731 7.014 428 HA2 GLY 40 HA3 GLY 40 -0.582 10.101 7.012 429 HA3 GLY 40 HA2 GLY 40 -1.547 10.552 8.411 430 H VAL 41 H VAL 41 -2.038 8.676 5.427 431 HA VAL 41 HA VAL 41 -3.916 6.917 6.313 432 HB VAL 41 HB VAL 41 -3.422 7.053 4.007 433 HG11 VAL 41 HG11 VAL 41 -1.332 6.330 3.014 434 HG12 VAL 41 HG12 VAL 41 -0.674 6.016 4.619 435 HG13 VAL 41 HG13 VAL 41 -1.090 7.662 4.140 436 HG21 VAL 41 HG21 VAL 41 -4.203 4.850 4.754 437 HG22 VAL 41 HG22 VAL 41 -2.529 4.327 4.931 438 HG23 VAL 41 HG23 VAL 41 -3.162 4.731 3.336 439 H THR 42 H THR 42 -4.008 4.933 7.157 440 HA THR 42 HA THR 42 -1.581 3.819 8.398 441 HB THR 42 HB THR 42 -4.449 3.548 9.353 442 HG1 THR 42 HG1 THR 42 -4.110 5.316 10.454 443 HG21 THR 42 HG21 THR 42 -3.439 2.597 11.378 444 HG22 THR 42 HG22 THR 42 -1.840 2.735 10.648 445 HG23 THR 42 HG23 THR 42 -3.036 1.640 9.952 446 H LYS 43 H LYS 43 -1.073 1.770 7.748 447 HA LYS 43 HA LYS 43 -2.981 0.478 5.917 448 HB2 LYS 43 HB3 LYS 43 0.022 0.431 6.064 449 HB3 LYS 43 HB2 LYS 43 -0.862 -0.823 5.203 450 HG2 LYS 43 HG3 LYS 43 -1.839 0.821 3.725 451 HG3 LYS 43 HG2 LYS 43 -1.077 2.128 4.632 452 HD2 LYS 43 HD3 LYS 43 1.082 1.497 3.917 453 HD3 LYS 43 HD2 LYS 43 0.515 -0.066 3.329 454 HE2 LYS 43 HE3 LYS 43 0.997 1.562 1.517 455 HE3 LYS 43 HE2 LYS 43 -0.664 0.978 1.516 456 HZ1 LYS 43 HZ1 LYS 43 -0.361 3.429 1.145 457 HZ2 LYS 43 HZ2 LYS 43 0.135 3.551 2.763 458 HZ3 LYS 43 HZ3 LYS 43 -1.425 3.008 2.397 459 H LYS 44 H LYS 44 -3.558 -1.643 6.158 460 HA LYS 44 HA LYS 44 -2.744 -2.922 8.691 461 HB2 LYS 44 HB3 LYS 44 -5.512 -2.746 7.488 462 HB3 LYS 44 HB2 LYS 44 -5.089 -3.782 8.840 463 HG2 LYS 44 HG3 LYS 44 -4.618 -1.898 10.226 464 HG3 LYS 44 HG2 LYS 44 -4.795 -0.789 8.864 465 HD2 LYS 44 HD3 LYS 44 -6.786 -0.783 10.291 466 HD3 LYS 44 HD2 LYS 44 -7.154 -1.384 8.675 467 HE2 LYS 44 HE3 LYS 44 -6.983 -3.694 9.538 468 HE3 LYS 44 HE2 LYS 44 -6.716 -3.046 11.155 469 HZ1 LYS 44 HZ1 LYS 44 -9.015 -3.646 10.874 470 HZ2 LYS 44 HZ2 LYS 44 -9.149 -2.683 9.487 471 HZ3 LYS 44 HZ3 LYS 44 -8.897 -1.963 11.001 472 H PHE 45 H PHE 45 -1.522 -4.614 8.021 473 HA PHE 45 HA PHE 45 -2.557 -6.303 5.849 474 HB2 PHE 45 HB3 PHE 45 0.136 -6.257 7.224 475 HB3 PHE 45 HB2 PHE 45 -0.335 -7.447 6.021 476 HD1 PHE 45 HD1 PHE 45 0.184 -3.818 6.546 477 HD2 PHE 45 HD2 PHE 45 -0.062 -7.013 3.742 478 HE1 PHE 45 HE1 PHE 45 0.953 -2.309 4.761 479 HE2 PHE 45 HE2 PHE 45 0.711 -5.508 1.956 480 HZ PHE 45 HZ PHE 45 1.294 -3.200 2.466 481 H ARG 46 H ARG 46 -3.754 -7.996 6.437 482 HA ARG 46 HA ARG 46 -2.954 -9.591 8.731 483 HB2 ARG 46 HB3 ARG 46 -5.322 -9.584 9.618 484 HB3 ARG 46 HB2 ARG 46 -4.406 -8.107 9.879 485 HG2 ARG 46 HG3 ARG 46 -5.642 -6.910 8.338 486 HG3 ARG 46 HG2 ARG 46 -6.175 -8.362 7.488 487 HD2 ARG 46 HD3 ARG 46 -7.002 -7.727 10.308 488 HD3 ARG 46 HD2 ARG 46 -7.917 -7.187 8.902 489 HE ARG 46 HE ARG 46 -7.589 -9.881 8.532 490 HH11 ARG 46 HH11 ARG 46 -8.979 -7.877 11.048 491 HH12 ARG 46 HH12 ARG 46 -10.157 -9.062 11.510 492 HH21 ARG 46 HH21 ARG 46 -9.141 -11.436 9.139 493 HH22 ARG 46 HH22 ARG 46 -10.248 -11.086 10.432 494 H ASN 47 H ASN 47 -4.377 -11.514 8.947 495 HA ASN 47 HA ASN 47 -4.757 -12.949 6.563 496 HB2 ASN 47 HB3 ASN 47 -5.869 -13.319 9.335 497 HB3 ASN 47 HB2 ASN 47 -6.311 -14.405 8.022 498 HD21 ASN 47 HD21 ASN 47 -3.741 -13.304 10.096 499 HD22 ASN 47 HD22 ASN 47 -2.645 -14.596 9.750 500 H ALA 48 H ALA 48 -6.930 -13.754 5.674 501 HA ALA 48 HA ALA 48 -8.247 -11.521 4.667 502 HB1 ALA 48 HB1 ALA 48 -8.156 -13.710 3.546 503 HB2 ALA 48 HB2 ALA 48 -9.799 -13.070 3.652 504 HB3 ALA 48 HB3 ALA 48 -9.278 -14.351 4.747 505 H ALA 49 H ALA 49 -10.363 -10.774 4.877 506 HA ALA 49 HA ALA 49 -11.234 -10.185 7.411 507 HB1 ALA 49 HB1 ALA 49 -12.958 -10.407 4.951 508 HB2 ALA 49 HB2 ALA 49 -11.927 -9.030 5.346 509 HB3 ALA 49 HB3 ALA 49 -13.292 -9.439 6.386 510 H SER 50 H SER 50 -12.801 -12.519 5.212 511 HA SER 50 HA SER 50 -14.396 -13.619 7.299 512 HB2 SER 50 HB3 SER 50 -13.923 -14.411 4.430 513 HB3 SER 50 HB2 SER 50 -15.106 -15.186 5.477 514 HG SER 50 HG SER 50 -15.755 -13.313 4.038 515 H GLY 51 H GLY 51 -11.334 -13.932 7.415 516 HA2 GLY 51 HA3 GLY 51 -9.903 -15.490 8.268 517 HA3 GLY 51 HA2 GLY 51 -11.333 -16.388 8.744 518 H LYS 52 H LYS 52 -10.353 -15.633 5.430 519 HA LYS 52 HA LYS 52 -10.394 -18.461 4.796 520 HB2 LYS 52 HB3 LYS 52 -10.344 -15.933 3.237 521 HB3 LYS 52 HB2 LYS 52 -9.599 -17.335 2.485 522 HG2 LYS 52 HG3 LYS 52 -11.927 -17.070 1.805 523 HG3 LYS 52 HG2 LYS 52 -11.670 -18.579 2.680 524 HD2 LYS 52 HD3 LYS 52 -12.584 -17.571 4.707 525 HD3 LYS 52 HD2 LYS 52 -12.803 -16.044 3.854 526 HE2 LYS 52 HE3 LYS 52 -14.902 -17.291 4.013 527 HE3 LYS 52 HE2 LYS 52 -14.391 -17.095 2.338 528 HZ1 LYS 52 HZ1 LYS 52 -13.951 -19.540 3.962 529 HZ2 LYS 52 HZ2 LYS 52 -13.586 -19.345 2.325 530 HZ3 LYS 52 HZ3 LYS 52 -15.196 -19.341 2.837 531 HA PRO 53 HA PRO 53 -6.049 -18.927 5.465 532 HB2 PRO 53 HB3 PRO 53 -5.689 -21.308 4.256 533 HB3 PRO 53 HB2 PRO 53 -6.543 -21.154 5.796 534 HG2 PRO 53 HG3 PRO 53 -7.662 -21.370 3.028 535 HG3 PRO 53 HG2 PRO 53 -8.152 -22.240 4.494 536 HD2 PRO 53 HD3 PRO 53 -9.506 -20.090 3.591 537 HD3 PRO 53 HD2 PRO 53 -9.328 -20.425 5.325 538 H ASP 54 H ASP 54 -4.241 -18.366 4.453 539 HA ASP 54 HA ASP 54 -2.690 -17.924 2.882 540 HB2 ASP 54 HB3 ASP 54 -4.571 -19.384 1.032 541 HB3 ASP 54 HB2 ASP 54 -3.077 -18.640 0.475 542 H ARG 55 H ARG 55 -6.014 -17.263 1.846 543 HA ARG 55 HA ARG 55 -5.407 -14.784 0.652 544 HB2 ARG 55 HB3 ARG 55 -8.012 -15.615 1.941 545 HB3 ARG 55 HB2 ARG 55 -7.789 -14.384 0.702 546 HG2 ARG 55 HG3 ARG 55 -7.000 -16.149 -0.845 547 HG3 ARG 55 HG2 ARG 55 -7.372 -17.350 0.390 548 HD2 ARG 55 HD3 ARG 55 -9.173 -17.209 -1.228 549 HD3 ARG 55 HD2 ARG 55 -9.718 -16.648 0.351 550 HE ARG 55 HE ARG 55 -9.833 -14.463 -0.461 551 HH11 ARG 55 HH11 ARG 55 -8.709 -16.702 -2.919 552 HH12 ARG 55 HH12 ARG 55 -9.035 -15.620 -4.235 553 HH21 ARG 55 HH21 ARG 55 -10.220 -13.024 -2.180 554 HH22 ARG 55 HH22 ARG 55 -9.904 -13.521 -3.815 555 H TYR 56 H TYR 56 -5.510 -12.704 1.433 556 HA TYR 56 HA TYR 56 -5.607 -12.401 4.352 557 HB2 TYR 56 HB3 TYR 56 -3.516 -11.382 2.433 558 HB3 TYR 56 HB2 TYR 56 -3.742 -10.679 4.031 559 HD1 TYR 56 HD1 TYR 56 -2.658 -13.663 2.185 560 HD2 TYR 56 HD2 TYR 56 -3.051 -11.869 6.017 561 HE1 TYR 56 HE1 TYR 56 -1.201 -15.397 3.135 562 HE2 TYR 56 HE2 TYR 56 -1.587 -13.595 6.977 563 HH TYR 56 HH TYR 56 -1.013 -16.100 6.283 564 H ASP 57 H ASP 57 -5.371 -9.815 4.715 565 HA ASP 57 HA ASP 57 -7.277 -8.446 2.945 566 HB2 ASP 57 HB3 ASP 57 -8.462 -9.497 4.921 567 HB3 ASP 57 HB2 ASP 57 -7.500 -8.466 5.968 568 H MET 58 H MET 58 -6.960 -6.176 2.875 569 HA MET 58 HA MET 58 -4.859 -5.051 4.556 570 HB2 MET 58 HB3 MET 58 -4.126 -6.032 2.102 571 HB3 MET 58 HB2 MET 58 -4.471 -4.349 1.732 572 HG2 MET 58 HG3 MET 58 -2.557 -5.340 3.832 573 HG3 MET 58 HG2 MET 58 -2.123 -4.694 2.254 574 HE1 MET 58 HE1 MET 58 -3.335 -2.181 1.584 575 HE2 MET 58 HE2 MET 58 -1.586 -2.205 1.859 576 HE3 MET 58 HE3 MET 58 -2.579 -0.928 2.572 577 H GLU 59 H GLU 59 -5.444 -3.119 5.197 578 HA GLU 59 HA GLU 59 -7.392 -1.636 3.553 579 HB2 GLU 59 HB3 GLU 59 -7.091 -1.684 6.552 580 HB3 GLU 59 HB2 GLU 59 -8.126 -0.558 5.691 581 HG2 GLU 59 HG3 GLU 59 -9.355 -2.502 4.757 582 HG3 GLU 59 HG2 GLU 59 -8.387 -3.548 5.795 583 H ASN 60 H ASN 60 -7.271 0.596 3.444 584 HA ASN 60 HA ASN 60 -4.797 1.835 4.458 585 HB2 ASN 60 HB3 ASN 60 -6.154 2.359 1.804 586 HB3 ASN 60 HB2 ASN 60 -4.861 3.345 2.464 587 HD21 ASN 60 HD21 ASN 60 -5.704 0.379 0.925 588 HD22 ASN 60 HD22 ASN 60 -4.089 -0.154 0.604 589 H LEU 61 H LEU 61 -5.828 2.674 6.257 590 HA LEU 61 HA LEU 61 -8.242 4.258 5.917 591 HB2 LEU 61 HB3 LEU 61 -6.563 3.484 8.287 592 HB3 LEU 61 HB2 LEU 61 -7.792 4.720 8.423 593 HG LEU 61 HG LEU 61 -8.726 2.687 9.227 594 HD11 LEU 61 HD11 LEU 61 -10.208 4.077 7.857 595 HD12 LEU 61 HD12 LEU 61 -10.628 2.368 7.766 596 HD13 LEU 61 HD13 LEU 61 -9.766 3.135 6.434 597 HD21 LEU 61 HD21 LEU 61 -7.854 1.425 6.633 598 HD22 LEU 61 HD22 LEU 61 -8.852 0.650 7.862 599 HD23 LEU 61 HD23 LEU 61 -7.190 1.105 8.236 600 H THR 62 H THR 62 -8.079 6.303 5.203 601 HA THR 62 HA THR 62 -5.612 7.745 5.864 602 HB THR 62 HB THR 62 -5.526 8.748 3.753 603 HG1 THR 62 HG1 THR 62 -7.488 8.237 2.287 604 HG21 THR 62 HG21 THR 62 -5.005 6.340 3.629 605 HG22 THR 62 HG22 THR 62 -5.662 6.960 2.121 606 HG23 THR 62 HG23 THR 62 -6.683 6.018 3.201 607 H THR 63 H THR 63 -6.398 10.256 4.971 608 HA THR 63 HA THR 63 -8.257 10.904 7.120 609 HB THR 63 HB THR 63 -7.347 13.180 6.928 610 HG1 THR 63 HG1 THR 63 -5.850 13.671 5.374 611 HG21 THR 63 HG21 THR 63 -6.190 11.653 8.393 612 HG22 THR 63 HG22 THR 63 -4.985 12.618 7.538 613 HG23 THR 63 HG23 THR 63 -5.305 10.957 7.036 614 H LYS 64 H LYS 64 -7.861 11.120 3.662 615 HA LYS 64 HA LYS 64 -10.421 12.562 3.443 616 HB2 LYS 64 HB3 LYS 64 -8.103 12.414 1.507 617 HB3 LYS 64 HB2 LYS 64 -9.627 13.218 1.174 618 HG2 LYS 64 HG3 LYS 64 -7.795 13.964 3.439 619 HG3 LYS 64 HG2 LYS 64 -7.776 14.732 1.852 620 HD2 LYS 64 HD3 LYS 64 -10.166 15.330 2.175 621 HD3 LYS 64 HD2 LYS 64 -10.067 14.677 3.810 622 HE2 LYS 64 HE3 LYS 64 -8.400 16.944 2.719 623 HE3 LYS 64 HE2 LYS 64 -9.812 17.123 3.760 624 HZ1 LYS 64 HZ1 LYS 64 -7.771 17.265 5.029 625 HZ2 LYS 64 HZ2 LYS 64 -7.283 15.741 4.486 626 HZ3 LYS 64 HZ3 LYS 64 -8.641 15.888 5.484 627 H LYS 65 H LYS 65 -9.293 9.550 3.378 628 HA LYS 65 HA LYS 65 -11.336 8.600 1.573 629 HB2 LYS 65 HB3 LYS 65 -8.645 8.894 0.691 630 HB3 LYS 65 HB2 LYS 65 -8.965 7.177 0.851 631 HG2 LYS 65 HG3 LYS 65 -10.502 9.159 -0.809 632 HG3 LYS 65 HG2 LYS 65 -9.449 7.871 -1.390 633 HD2 LYS 65 HD3 LYS 65 -10.967 6.190 -0.545 634 HD3 LYS 65 HD2 LYS 65 -11.976 7.428 0.201 635 HE2 LYS 65 HE3 LYS 65 -12.369 8.363 -2.091 636 HE3 LYS 65 HE2 LYS 65 -11.531 6.954 -2.741 637 HZ1 LYS 65 HZ1 LYS 65 -13.930 6.783 -1.003 638 HZ2 LYS 65 HZ2 LYS 65 -13.205 5.521 -1.863 639 HZ3 LYS 65 HZ3 LYS 65 -13.994 6.764 -2.690 640 H ASP 66 H ASP 66 -9.889 6.057 1.396 641 HA ASP 66 HA ASP 66 -9.340 4.614 3.499 642 HB2 ASP 66 HB3 ASP 66 -11.290 3.879 4.689 643 HB3 ASP 66 HB2 ASP 66 -11.277 5.631 4.739 644 H THR 67 H THR 67 -8.980 2.675 2.681 645 HA THR 67 HA THR 67 -10.860 1.629 0.685 646 HB THR 67 HB THR 67 -9.025 0.772 -0.687 647 HG1 THR 67 HG1 THR 67 -7.012 2.264 0.331 648 HG21 THR 67 HG21 THR 67 -8.156 2.914 -1.570 649 HG22 THR 67 HG22 THR 67 -8.789 3.732 -0.140 650 HG23 THR 67 HG23 THR 67 -9.895 2.962 -1.275 651 H HIS 68 H HIS 68 -10.867 -0.691 0.533 652 HA HIS 68 HA HIS 68 -9.545 -2.083 2.727 653 HB2 HIS 68 HB3 HIS 68 -11.784 -1.367 3.561 654 HB3 HIS 68 HB2 HIS 68 -12.531 -2.240 2.231 655 HD1 HIS 68 HD1 HIS 68 -13.432 -3.083 4.932 656 HD2 HIS 68 HD2 HIS 68 -10.043 -4.704 3.156 657 HE1 HIS 68 HE1 HIS 68 -13.080 -5.313 6.044 658 HE2 HIS 68 HE2 HIS 68 -11.053 -6.305 4.906 659 H HIS 69 H HIS 69 -8.311 -3.260 1.347 660 HA HIS 69 HA HIS 69 -9.418 -4.719 -0.864 661 HB2 HIS 69 HB3 HIS 69 -6.829 -5.199 0.632 662 HB3 HIS 69 HB2 HIS 69 -7.259 -5.870 -0.935 663 HD1 HIS 69 HD1 HIS 69 -8.376 -3.041 -2.044 664 HD2 HIS 69 HD2 HIS 69 -4.664 -3.794 -0.317 665 HE1 HIS 69 HE1 HIS 69 -6.829 -1.295 -2.966 666 HE2 HIS 69 HE2 HIS 69 -4.535 -1.952 -2.124 667 H LYS 70 H LYS 70 -11.193 -5.755 0.080 668 HA LYS 70 HA LYS 70 -10.843 -7.307 2.465 669 HB2 LYS 70 HB3 LYS 70 -13.322 -7.795 2.015 670 HB3 LYS 70 HB2 LYS 70 -12.851 -6.149 2.412 671 HG2 LYS 70 HG3 LYS 70 -12.809 -5.704 -0.082 672 HG3 LYS 70 HG2 LYS 70 -13.604 -7.268 -0.276 673 HD2 LYS 70 HD3 LYS 70 -15.330 -5.650 -0.238 674 HD3 LYS 70 HD2 LYS 70 -15.338 -6.422 1.345 675 HE2 LYS 70 HE3 LYS 70 -13.939 -4.532 2.188 676 HE3 LYS 70 HE2 LYS 70 -14.184 -3.736 0.635 677 HZ1 LYS 70 HZ1 LYS 70 -15.749 -2.934 2.280 678 HZ2 LYS 70 HZ2 LYS 70 -16.324 -4.503 2.547 679 HZ3 LYS 70 HZ3 LYS 70 -16.568 -3.756 1.050 680 H ASP 71 H ASP 71 -9.874 -9.156 2.339 681 HA ASP 71 HA ASP 71 -9.547 -11.366 1.982 682 HB2 ASP 71 HB3 ASP 71 -12.115 -11.269 2.161 683 HB3 ASP 71 HB2 ASP 71 -12.109 -11.456 0.411 684 H TRP 72 H TRP 72 -7.797 -10.598 0.616 685 HA TRP 72 HA TRP 72 -8.199 -11.299 -2.223 686 HB2 TRP 72 HB3 TRP 72 -6.277 -9.791 -2.707 687 HB3 TRP 72 HB2 TRP 72 -7.656 -8.940 -2.023 688 HD1 TRP 72 HD1 TRP 72 -7.358 -7.814 0.339 689 HE1 TRP 72 HE1 TRP 72 -5.307 -7.305 1.800 690 HE3 TRP 72 HE3 TRP 72 -3.888 -10.734 -2.039 691 HZ2 TRP 72 HZ2 TRP 72 -2.588 -8.047 1.912 692 HZ3 TRP 72 HZ3 TRP 72 -1.593 -10.735 -1.142 693 HH2 TRP 72 HH2 TRP 72 -0.967 -9.433 0.772 694 H ALA 73 H ALA 73 -6.395 -12.392 -3.265 695 HA ALA 73 HA ALA 73 -4.532 -13.645 -1.356 696 HB1 ALA 73 HB1 ALA 73 -6.098 -15.255 -2.309 697 HB2 ALA 73 HB2 ALA 73 -4.467 -15.555 -2.909 698 HB3 ALA 73 HB3 ALA 73 -5.651 -14.746 -3.937 699 H LEU 74 H LEU 74 -2.327 -13.690 -1.949 700 HA LEU 74 HA LEU 74 -1.439 -11.989 -3.993 701 HB2 LEU 74 HB3 LEU 74 0.743 -13.422 -3.796 702 HB3 LEU 74 HB2 LEU 74 0.283 -12.297 -2.544 703 HG LEU 74 HG LEU 74 1.205 -14.598 -1.874 704 HD11 LEU 74 HD11 LEU 74 -0.345 -14.732 0.076 705 HD12 LEU 74 HD12 LEU 74 -1.313 -13.467 -0.681 706 HD13 LEU 74 HD13 LEU 74 0.358 -13.143 -0.212 707 HD21 LEU 74 HD21 LEU 74 -0.378 -16.401 -1.691 708 HD22 LEU 74 HD22 LEU 74 -0.230 -15.903 -3.380 709 HD23 LEU 74 HD23 LEU 74 -1.634 -15.411 -2.436 710 H GLY 75 H GLY 75 -0.591 -12.431 -6.002 711 HA2 GLY 75 HA3 GLY 75 -0.605 -13.445 -8.087 712 HA3 GLY 75 HA2 GLY 75 -1.150 -14.931 -7.320 713 H GLU 76 H GLU 76 -3.120 -12.479 -6.262 714 HA GLU 76 HA GLU 76 -5.159 -13.285 -8.212 715 HB2 GLU 76 HB3 GLU 76 -5.567 -13.918 -5.854 716 HB3 GLU 76 HB2 GLU 76 -5.550 -12.218 -5.416 717 HG2 GLU 76 HG3 GLU 76 -7.815 -13.116 -5.589 718 HG3 GLU 76 HG2 GLU 76 -7.524 -11.821 -6.746 719 H GLU 77 H GLU 77 -6.692 -11.784 -8.901 720 HA GLU 77 HA GLU 77 -5.835 -8.948 -8.851 721 HB2 GLU 77 HB3 GLU 77 -5.240 -9.927 -11.012 722 HB3 GLU 77 HB2 GLU 77 -6.851 -10.605 -11.188 723 HG2 GLU 77 HG3 GLU 77 -7.646 -8.156 -11.069 724 HG3 GLU 77 HG2 GLU 77 -5.965 -7.763 -11.429 725 H PHE 78 H PHE 78 -7.406 -7.925 -7.751 726 HA PHE 78 HA PHE 78 -10.170 -8.898 -8.056 727 HB2 PHE 78 HB3 PHE 78 -10.543 -8.180 -5.704 728 HB3 PHE 78 HB2 PHE 78 -9.364 -9.476 -5.851 729 HD1 PHE 78 HD1 PHE 78 -7.040 -9.111 -5.327 730 HD2 PHE 78 HD2 PHE 78 -9.871 -5.947 -5.042 731 HE1 PHE 78 HE1 PHE 78 -5.413 -7.777 -4.056 732 HE2 PHE 78 HE2 PHE 78 -8.251 -4.602 -3.770 733 HZ PHE 78 HZ PHE 78 -6.031 -5.542 -3.236 734 H GLN 79 H GLN 79 -11.846 -7.337 -7.865 735 HA GLN 79 HA GLN 79 -11.045 -4.670 -8.720 736 HB2 GLN 79 HB3 GLN 79 -12.870 -5.874 -9.911 737 HB3 GLN 79 HB2 GLN 79 -13.813 -5.864 -8.428 738 HG2 GLN 79 HG3 GLN 79 -13.953 -3.460 -8.477 739 HG3 GLN 79 HG2 GLN 79 -12.881 -3.394 -9.875 740 HE21 GLN 79 HE21 GLN 79 -15.623 -2.412 -9.558 741 HE22 GLN 79 HE22 GLN 79 -16.546 -3.182 -10.801 742 H ASP 80 H ASP 80 -11.448 -2.833 -7.544 743 HA ASP 80 HA ASP 80 -12.772 -2.822 -5.023 744 HB2 ASP 80 HB3 ASP 80 -10.631 -4.074 -4.475 745 HB3 ASP 80 HB2 ASP 80 -9.750 -2.617 -4.910 746 H GLU 81 H GLU 81 -12.293 -0.673 -3.880 747 HA GLU 81 HA GLU 81 -11.937 1.373 -5.962 748 HB2 GLU 81 HB3 GLU 81 -14.146 1.396 -4.812 749 HB3 GLU 81 HB2 GLU 81 -13.313 1.647 -3.285 750 HG2 GLU 81 HG3 GLU 81 -12.378 3.752 -4.193 751 HG3 GLU 81 HG2 GLU 81 -13.353 3.517 -5.642 752 H ALA 82 H ALA 82 -10.093 2.266 -5.965 753 HA ALA 82 HA ALA 82 -8.306 1.965 -3.721 754 HB1 ALA 82 HB1 ALA 82 -7.782 3.231 -6.393 755 HB2 ALA 82 HB2 ALA 82 -7.638 1.509 -6.054 756 HB3 ALA 82 HB3 ALA 82 -6.584 2.664 -5.226 757 H LEU 83 H LEU 83 -6.749 3.907 -3.387 758 HA LEU 83 HA LEU 83 -8.197 5.960 -2.130 759 HB2 LEU 83 HB3 LEU 83 -5.288 5.835 -2.926 760 HB3 LEU 83 HB2 LEU 83 -5.978 7.013 -1.822 761 HG LEU 83 HG LEU 83 -6.077 4.044 -1.318 762 HD11 LEU 83 HD11 LEU 83 -4.210 4.345 0.191 763 HD12 LEU 83 HD12 LEU 83 -4.105 6.050 -0.241 764 HD13 LEU 83 HD13 LEU 83 -3.744 4.814 -1.445 765 HD21 LEU 83 HD21 LEU 83 -7.754 5.368 -0.157 766 HD22 LEU 83 HD22 LEU 83 -6.502 6.449 0.446 767 HD23 LEU 83 HD23 LEU 83 -6.543 4.765 0.976 768 H ASP 84 H ASP 84 -7.209 5.530 -5.333 769 HA ASP 84 HA ASP 84 -7.032 8.262 -6.100 770 HB2 ASP 84 HB3 ASP 84 -7.085 7.388 -8.424 771 HB3 ASP 84 HB2 ASP 84 -5.861 6.632 -7.412 772 H SER 85 H SER 85 -9.633 6.762 -4.994 773 HA SER 85 HA SER 85 -11.767 7.503 -4.820 774 HB2 SER 85 HB3 SER 85 -10.984 9.775 -5.173 775 HB3 SER 85 HB2 SER 85 -10.970 9.531 -6.917 776 HG SER 85 HG SER 85 -13.389 8.892 -6.154 777 H THR 86 H THR 86 -10.486 6.034 -7.506 778 HA THR 86 HA THR 86 -13.213 5.519 -8.494 779 HB THR 86 HB THR 86 -12.058 4.776 -10.651 780 HG1 THR 86 HG1 THR 86 -9.877 5.416 -9.266 781 HG21 THR 86 HG21 THR 86 -12.049 7.688 -9.868 782 HG22 THR 86 HG22 THR 86 -13.405 6.780 -10.535 783 HG23 THR 86 HG23 THR 86 -11.974 7.080 -11.522 784 H GLN 87 H GLN 87 -13.403 3.272 -9.522 785 HA GLN 87 HA GLN 87 -11.845 1.420 -7.879 786 HB2 GLN 87 HB3 GLN 87 -13.896 -0.113 -8.148 787 HB3 GLN 87 HB2 GLN 87 -13.948 1.174 -6.955 788 HG2 GLN 87 HG3 GLN 87 -15.185 2.552 -8.636 789 HG3 GLN 87 HG2 GLN 87 -15.272 1.110 -9.650 790 HE21 GLN 87 HE21 GLN 87 -15.416 1.013 -6.167 791 HE22 GLN 87 HE22 GLN 87 -17.065 0.532 -6.048 792 H HIS 88 H HIS 88 -10.933 -0.238 -8.803 793 HA HIS 88 HA HIS 88 -11.358 -0.870 -11.588 794 HB2 HIS 88 HB3 HIS 88 -8.902 -0.335 -12.090 795 HB3 HIS 88 HB2 HIS 88 -10.016 1.024 -12.001 796 HD1 HIS 88 HD1 HIS 88 -7.498 -0.757 -9.771 797 HD2 HIS 88 HD2 HIS 88 -9.216 2.992 -10.322 798 HE1 HIS 88 HE1 HIS 88 -6.388 0.758 -8.096 799 HE2 HIS 88 HE2 HIS 88 -7.337 3.058 -8.541 800 H LYS 89 H LYS 89 -9.160 -2.294 -12.192 801 HA LYS 89 HA LYS 89 -9.334 -4.440 -10.278 802 HB2 LYS 89 HB3 LYS 89 -8.109 -5.771 -11.847 803 HB3 LYS 89 HB2 LYS 89 -9.280 -4.830 -12.760 804 HG2 LYS 89 HG3 LYS 89 -7.647 -3.423 -13.641 805 HG3 LYS 89 HG2 LYS 89 -6.460 -3.896 -12.424 806 HD2 LYS 89 HD3 LYS 89 -5.929 -4.884 -14.587 807 HD3 LYS 89 HD2 LYS 89 -6.337 -6.130 -13.407 808 HE2 LYS 89 HE3 LYS 89 -8.615 -6.232 -14.346 809 HE3 LYS 89 HE2 LYS 89 -8.149 -5.039 -15.560 810 HZ1 LYS 89 HZ1 LYS 89 -8.025 -7.302 -16.413 811 HZ2 LYS 89 HZ2 LYS 89 -6.901 -7.714 -15.212 812 HZ3 LYS 89 HZ3 LYS 89 -6.497 -6.575 -16.398 813 H ILE 90 H ILE 90 -7.663 -5.297 -9.109 814 HA ILE 90 HA ILE 90 -5.134 -3.835 -9.001 815 HB ILE 90 HB ILE 90 -6.963 -4.340 -6.655 816 HG12 ILE 90 HG13 ILE 90 -5.539 -1.838 -7.592 817 HG13 ILE 90 HG12 ILE 90 -7.219 -2.221 -7.943 818 HG21 ILE 90 HG21 ILE 90 -5.155 -3.717 -5.179 819 HG22 ILE 90 HG22 ILE 90 -4.065 -3.526 -6.555 820 HG23 ILE 90 HG23 ILE 90 -4.695 -5.128 -6.140 821 HD11 ILE 90 HD11 ILE 90 -7.011 -0.631 -6.120 822 HD12 ILE 90 HD12 ILE 90 -6.049 -1.796 -5.206 823 HD13 ILE 90 HD13 ILE 90 -7.741 -2.141 -5.572 824 H THR 91 H THR 91 -3.432 -5.170 -8.780 825 HA THR 91 HA THR 91 -4.030 -7.978 -8.158 826 HB THR 91 HB THR 91 -1.856 -6.917 -9.959 827 HG1 THR 91 HG1 THR 91 -4.480 -7.585 -10.373 828 HG21 THR 91 HG21 THR 91 -1.522 -9.268 -10.572 829 HG22 THR 91 HG22 THR 91 -2.742 -9.750 -9.394 830 HG23 THR 91 HG23 THR 91 -1.234 -9.014 -8.852 831 H PHE 92 H PHE 92 -3.039 -8.865 -6.539 832 HA PHE 92 HA PHE 92 -0.696 -7.537 -5.341 833 HB2 PHE 92 HB3 PHE 92 -2.980 -9.051 -4.161 834 HB3 PHE 92 HB2 PHE 92 -1.400 -9.259 -3.414 835 HD1 PHE 92 HD1 PHE 92 -3.805 -6.644 -4.485 836 HD2 PHE 92 HD2 PHE 92 -0.671 -7.733 -1.825 837 HE1 PHE 92 HE1 PHE 92 -4.146 -4.554 -3.239 838 HE2 PHE 92 HE2 PHE 92 -1.006 -5.643 -0.575 839 HZ PHE 92 HZ PHE 92 -2.724 -4.083 -1.222 840 H ASP 93 H ASP 93 1.178 -8.712 -5.233 841 HA ASP 93 HA ASP 93 1.108 -11.565 -5.669 842 HB2 ASP 93 HB3 ASP 93 0.992 -10.650 -7.973 843 HB3 ASP 93 HB2 ASP 93 2.498 -9.787 -7.684 844 H LEU 94 H LEU 94 2.859 -12.567 -4.848 845 HA LEU 94 HA LEU 94 4.759 -10.948 -3.402 846 HB2 LEU 94 HB3 LEU 94 3.895 -13.724 -3.382 847 HB3 LEU 94 HB2 LEU 94 5.641 -13.581 -3.294 848 HG LEU 94 HG LEU 94 4.584 -13.718 -1.066 849 HD11 LEU 94 HD11 LEU 94 5.873 -11.054 -1.641 850 HD12 LEU 94 HD12 LEU 94 6.723 -12.568 -1.335 851 HD13 LEU 94 HD13 LEU 94 5.750 -11.831 -0.063 852 HD21 LEU 94 HD21 LEU 94 2.481 -12.650 -1.476 853 HD22 LEU 94 HD22 LEU 94 3.279 -11.142 -1.921 854 HD23 LEU 94 HD23 LEU 94 3.345 -11.715 -0.255 855 H LYS 95 H LYS 95 6.421 -10.097 -4.391 856 HA LYS 95 HA LYS 95 7.185 -11.079 -7.023 857 HB2 LYS 95 HB3 LYS 95 6.807 -8.697 -6.796 858 HB3 LYS 95 HB2 LYS 95 7.900 -8.610 -5.426 859 HG2 LYS 95 HG3 LYS 95 9.787 -9.103 -6.883 860 HG3 LYS 95 HG2 LYS 95 8.693 -9.233 -8.265 861 HD2 LYS 95 HD3 LYS 95 8.085 -6.927 -8.087 862 HD3 LYS 95 HD2 LYS 95 8.944 -6.762 -6.555 863 HE2 LYS 95 HE3 LYS 95 11.062 -7.139 -7.692 864 HE3 LYS 95 HE2 LYS 95 10.216 -7.358 -9.223 865 HZ1 LYS 95 HZ1 LYS 95 9.591 -5.122 -9.270 866 HZ2 LYS 95 HZ2 LYS 95 11.211 -5.092 -8.779 867 HZ3 LYS 95 HZ3 LYS 95 9.972 -4.869 -7.642 868 H ASP 96 H ASP 96 8.760 -10.072 -4.026 869 HA ASP 96 HA ASP 96 10.584 -12.355 -4.254 870 HB2 ASP 96 HB3 ASP 96 11.366 -9.563 -3.361 871 HB3 ASP 96 HB2 ASP 96 12.423 -10.965 -3.395 872 HA PRO 97 HA PRO 97 9.432 -13.159 -0.086 873 HB2 PRO 97 HB3 PRO 97 12.237 -13.420 0.779 874 HB3 PRO 97 HB2 PRO 97 10.968 -14.644 0.710 875 HG2 PRO 97 HG3 PRO 97 13.014 -14.665 -1.014 876 HG3 PRO 97 HG2 PRO 97 11.377 -15.134 -1.516 877 HD2 PRO 97 HD3 PRO 97 12.817 -12.534 -1.933 878 HD3 PRO 97 HD2 PRO 97 11.835 -13.464 -3.081 879 H ASN 98 H ASN 98 11.008 -10.395 -0.843 880 HA ASN 98 HA ASN 98 10.532 -9.293 1.831 881 HB2 ASN 98 HB3 ASN 98 12.547 -7.943 1.719 882 HB3 ASN 98 HB2 ASN 98 12.982 -9.637 1.521 883 HD21 ASN 98 HD21 ASN 98 12.927 -6.516 0.091 884 HD22 ASN 98 HD22 ASN 98 13.756 -6.932 -1.371 885 H THR 99 H THR 99 9.287 -9.333 -1.040 886 HA THR 99 HA THR 99 8.512 -6.542 -0.969 887 HB THR 99 HB THR 99 9.795 -7.678 -3.461 888 HG1 THR 99 HG1 THR 99 10.808 -6.386 -1.329 889 HG21 THR 99 HG21 THR 99 8.603 -4.953 -2.923 890 HG22 THR 99 HG22 THR 99 7.919 -6.189 -3.980 891 HG23 THR 99 HG23 THR 99 9.458 -5.429 -4.390 892 H LEU 100 H LEU 100 6.422 -6.715 -0.894 893 HA LEU 100 HA LEU 100 4.916 -8.588 -2.584 894 HB2 LEU 100 HB3 LEU 100 4.518 -7.860 -0.054 895 HB3 LEU 100 HB2 LEU 100 3.697 -6.513 -0.796 896 HG LEU 100 HG LEU 100 2.933 -9.421 -0.903 897 HD11 LEU 100 HD11 LEU 100 2.319 -8.090 1.085 898 HD12 LEU 100 HD12 LEU 100 0.924 -8.667 0.177 899 HD13 LEU 100 HD13 LEU 100 1.431 -6.985 0.036 900 HD21 LEU 100 HD21 LEU 100 2.593 -8.471 -3.136 901 HD22 LEU 100 HD22 LEU 100 1.661 -7.151 -2.428 902 HD23 LEU 100 HD23 LEU 100 1.063 -8.807 -2.329 903 H THR 101 H THR 101 3.633 -7.796 -4.399 904 HA THR 101 HA THR 101 4.086 -4.941 -4.968 905 HB THR 101 HB THR 101 3.679 -5.621 -7.387 906 HG1 THR 101 HG1 THR 101 4.154 -8.191 -6.234 907 HG21 THR 101 HG21 THR 101 5.999 -6.307 -7.703 908 HG22 THR 101 HG22 THR 101 6.126 -6.689 -5.987 909 HG23 THR 101 HG23 THR 101 5.872 -5.025 -6.504 910 H GLU 102 H GLU 102 2.408 -3.656 -5.270 911 HA GLU 102 HA GLU 102 -0.241 -4.879 -5.725 912 HB2 GLU 102 HB3 GLU 102 -0.146 -3.823 -3.510 913 HB3 GLU 102 HB2 GLU 102 0.390 -2.314 -4.239 914 HG2 GLU 102 HG3 GLU 102 -1.772 -2.350 -5.559 915 HG3 GLU 102 HG2 GLU 102 -2.291 -3.645 -4.482 916 H THR 103 H THR 103 -0.712 -4.592 -7.821 917 HA THR 103 HA THR 103 0.071 -2.052 -9.069 918 HB THR 103 HB THR 103 -0.570 -4.716 -10.348 919 HG1 THR 103 HG1 THR 103 1.857 -3.207 -10.259 920 HG21 THR 103 HG21 THR 103 0.071 -3.660 -12.466 921 HG22 THR 103 HG22 THR 103 0.262 -2.112 -11.644 922 HG23 THR 103 HG23 THR 103 -1.332 -2.855 -11.763 923 H HIS 104 H HIS 104 -1.433 -0.632 -9.471 924 HA HIS 104 HA HIS 104 -4.257 -1.417 -9.428 925 HB2 HIS 104 HB3 HIS 104 -3.248 1.413 -9.676 926 HB3 HIS 104 HB2 HIS 104 -4.794 0.853 -9.073 927 HD1 HIS 104 HD1 HIS 104 -2.847 2.864 -7.585 928 HD2 HIS 104 HD2 HIS 104 -3.265 -1.207 -6.780 929 HE1 HIS 104 HE1 HIS 104 -2.149 2.563 -5.197 930 HE2 HIS 104 HE2 HIS 104 -2.200 0.080 -4.792 931 H ILE 105 H ILE 105 -5.228 -1.778 -11.351 932 HA ILE 105 HA ILE 105 -4.339 -0.153 -13.648 933 HB ILE 105 HB ILE 105 -5.476 -2.945 -13.739 934 HG12 ILE 105 HG13 ILE 105 -2.706 -1.891 -14.314 935 HG13 ILE 105 HG12 ILE 105 -3.170 -2.958 -12.996 936 HG21 ILE 105 HG21 ILE 105 -6.252 -1.667 -15.633 937 HG22 ILE 105 HG22 ILE 105 -5.014 -2.807 -16.167 938 HG23 ILE 105 HG23 ILE 105 -4.612 -1.102 -15.964 939 HD11 ILE 105 HD11 ILE 105 -3.734 -4.688 -14.589 940 HD12 ILE 105 HD12 ILE 105 -2.063 -4.159 -14.788 941 HD13 ILE 105 HD13 ILE 105 -3.306 -3.613 -15.916 942 H LYS 106 H LYS 106 -5.795 1.272 -14.201 943 HA LYS 106 HA LYS 106 -8.428 1.314 -13.238 944 HB2 LYS 106 HB3 LYS 106 -7.155 2.800 -15.527 945 HB3 LYS 106 HB2 LYS 106 -8.778 3.122 -14.930 946 HG2 LYS 106 HG3 LYS 106 -7.818 3.605 -12.702 947 HG3 LYS 106 HG2 LYS 106 -6.207 3.395 -13.392 948 HD2 LYS 106 HD3 LYS 106 -6.755 5.737 -13.295 949 HD3 LYS 106 HD2 LYS 106 -6.682 5.223 -14.977 950 HE2 LYS 106 HE3 LYS 106 -9.127 5.053 -15.020 951 HE3 LYS 106 HE2 LYS 106 -9.188 5.584 -13.342 952 HZ1 LYS 106 HZ1 LYS 106 -8.155 7.167 -15.631 953 HZ2 LYS 106 HZ2 LYS 106 -8.185 7.683 -14.022 954 HZ3 LYS 106 HZ3 LYS 106 -9.634 7.407 -14.844 955 H VAL 107 H VAL 107 -10.021 0.063 -13.755 956 HA VAL 107 HA VAL 107 -10.195 -1.562 -16.008 957 HB VAL 107 HB VAL 107 -12.647 -1.768 -15.434 958 HG11 VAL 107 HG11 VAL 107 -10.968 -3.358 -14.643 959 HG12 VAL 107 HG12 VAL 107 -12.187 -3.062 -13.404 960 HG13 VAL 107 HG13 VAL 107 -10.602 -2.300 -13.280 961 HG21 VAL 107 HG21 VAL 107 -13.168 -0.882 -13.146 962 HG22 VAL 107 HG22 VAL 107 -13.017 0.326 -14.423 963 HG23 VAL 107 HG23 VAL 107 -11.696 0.077 -13.291 964 H ASP 108 H ASP 108 -10.890 1.746 -15.613 965 HA ASP 108 HA ASP 108 -12.565 1.903 -17.984 966 HB2 ASP 108 HB3 ASP 108 -13.087 3.338 -16.059 967 HB3 ASP 108 HB2 ASP 108 -11.499 4.087 -16.185 968 H ASP 109 H ASP 109 -9.339 2.883 -16.919 969 HA ASP 109 HA ASP 109 -8.510 2.912 -19.723 970 HB2 ASP 109 HB3 ASP 109 -8.232 5.176 -17.783 971 HB3 ASP 109 HB2 ASP 109 -6.919 4.884 -18.916 972 HA PRO 110 HA PRO 110 -5.731 0.291 -17.254 973 HB2 PRO 110 HB3 PRO 110 -5.241 -1.452 -19.273 974 HB3 PRO 110 HB2 PRO 110 -6.673 -1.543 -18.248 975 HG2 PRO 110 HG3 PRO 110 -6.386 -0.395 -20.989 976 HG3 PRO 110 HG2 PRO 110 -7.679 -1.396 -20.317 977 HD2 PRO 110 HD3 PRO 110 -7.899 1.266 -20.575 978 HD3 PRO 110 HD2 PRO 110 -8.699 0.357 -19.284 979 H THR 111 H THR 111 -5.272 2.481 -19.685 980 HA THR 111 HA THR 111 -2.496 1.919 -20.214 981 HB THR 111 HB THR 111 -2.503 4.220 -21.224 982 HG1 THR 111 HG1 THR 111 -5.283 4.295 -21.176 983 HG21 THR 111 HG21 THR 111 -2.915 2.311 -22.630 984 HG22 THR 111 HG22 THR 111 -4.010 3.606 -23.105 985 HG23 THR 111 HG23 THR 111 -4.604 2.262 -22.133 986 H ASP 112 H ASP 112 -4.405 3.744 -17.954 987 HA ASP 112 HA ASP 112 -2.037 4.917 -16.723 988 HB2 ASP 112 HB3 ASP 112 -4.159 6.243 -16.926 989 HB3 ASP 112 HB2 ASP 112 -4.925 5.099 -15.832 990 H VAL 113 H VAL 113 -0.937 3.749 -15.324 991 HA VAL 113 HA VAL 113 -2.350 1.748 -13.729 992 HB VAL 113 HB VAL 113 -0.109 0.515 -13.772 993 HG11 VAL 113 HG11 VAL 113 -0.749 -0.748 -15.714 994 HG12 VAL 113 HG12 VAL 113 -1.687 0.612 -16.331 995 HG13 VAL 113 HG13 VAL 113 -2.202 -0.220 -14.867 996 HG21 VAL 113 HG21 VAL 113 1.226 2.265 -14.779 997 HG22 VAL 113 HG22 VAL 113 0.222 2.221 -16.227 998 HG23 VAL 113 HG23 VAL 113 1.225 0.833 -15.806 999 H GLU 114 H GLU 114 -0.681 1.034 -11.897 1000 HA GLU 114 HA GLU 114 1.040 3.056 -10.883 1001 HB2 GLU 114 HB3 GLU 114 -1.111 4.198 -10.554 1002 HB3 GLU 114 HB2 GLU 114 -1.706 2.823 -9.642 1003 HG2 GLU 114 HG3 GLU 114 -0.145 3.248 -7.877 1004 HG3 GLU 114 HG2 GLU 114 0.621 4.539 -8.810 1005 H THR 115 H THR 115 2.482 1.905 -9.702 1006 HA THR 115 HA THR 115 1.475 -0.531 -8.407 1007 HB THR 115 HB THR 115 4.088 -0.265 -9.906 1008 HG1 THR 115 HG1 THR 115 2.498 -0.606 -11.388 1009 HG21 THR 115 HG21 THR 115 2.914 -2.637 -8.439 1010 HG22 THR 115 HG22 THR 115 4.336 -1.717 -7.949 1011 HG23 THR 115 HG23 THR 115 4.368 -2.664 -9.436 1012 H TYR 116 H TYR 116 1.793 -0.599 -6.355 1013 HA TYR 116 HA TYR 116 4.003 0.906 -5.114 1014 HB2 TYR 116 HB3 TYR 116 1.751 -0.612 -3.763 1015 HB3 TYR 116 HB2 TYR 116 2.951 0.389 -2.967 1016 HD1 TYR 116 HD1 TYR 116 2.025 1.963 -5.903 1017 HD2 TYR 116 HD2 TYR 116 0.581 1.217 -1.977 1018 HE1 TYR 116 HE1 TYR 116 0.529 3.883 -6.110 1019 HE2 TYR 116 HE2 TYR 116 -0.930 3.151 -2.168 1020 HH TYR 116 HH TYR 116 -1.600 4.675 -5.104 1021 H GLU 117 H GLU 117 5.464 -0.358 -3.612 1022 HA GLU 117 HA GLU 117 5.166 -3.240 -3.868 1023 HB2 GLU 117 HB3 GLU 117 7.817 -1.771 -4.023 1024 HB3 GLU 117 HB2 GLU 117 7.588 -3.506 -4.060 1025 HG2 GLU 117 HG3 GLU 117 6.412 -3.292 -6.200 1026 HG3 GLU 117 HG2 GLU 117 6.688 -1.554 -6.165 1027 H TYR 118 H TYR 118 5.045 -4.054 -1.884 1028 HA TYR 118 HA TYR 118 5.670 -2.356 0.395 1029 HB2 TYR 118 HB3 TYR 118 4.471 -5.135 0.331 1030 HB3 TYR 118 HB2 TYR 118 4.552 -4.076 1.726 1031 HD1 TYR 118 HD1 TYR 118 3.247 -1.834 1.561 1032 HD2 TYR 118 HD2 TYR 118 2.582 -5.103 -1.060 1033 HE1 TYR 118 HE1 TYR 118 1.044 -0.958 1.043 1034 HE2 TYR 118 HE2 TYR 118 0.368 -4.223 -1.592 1035 HH TYR 118 HH TYR 118 -0.525 -1.123 -0.865 1036 H ARG 119 H ARG 119 7.804 -2.344 0.861 1037 HA ARG 119 HA ARG 119 9.157 -4.957 0.999 1038 HB2 ARG 119 HB3 ARG 119 11.249 -3.843 0.512 1039 HB3 ARG 119 HB2 ARG 119 10.079 -3.438 -0.734 1040 HG2 ARG 119 HG3 ARG 119 9.669 -1.285 0.448 1041 HG3 ARG 119 HG2 ARG 119 10.991 -1.696 1.542 1042 HD2 ARG 119 HD3 ARG 119 12.464 -1.911 -0.486 1043 HD3 ARG 119 HD2 ARG 119 11.137 -1.236 -1.431 1044 HE ARG 119 HE ARG 119 12.183 0.264 0.864 1045 HH11 ARG 119 HH11 ARG 119 11.784 -0.012 -2.614 1046 HH12 ARG 119 HH12 ARG 119 12.203 1.645 -2.909 1047 HH21 ARG 119 HH21 ARG 119 12.736 2.420 0.469 1048 HH22 ARG 119 HH22 ARG 119 12.717 3.042 -1.154 1049 H ARG 120 H ARG 120 10.558 -5.322 2.770 1050 HA ARG 120 HA ARG 120 9.785 -3.773 5.134 1051 HB2 ARG 120 HB3 ARG 120 10.772 -6.577 4.736 1052 HB3 ARG 120 HB2 ARG 120 10.910 -5.805 6.309 1053 HG2 ARG 120 HG3 ARG 120 8.317 -6.046 4.810 1054 HG3 ARG 120 HG2 ARG 120 8.885 -7.238 5.980 1055 HD2 ARG 120 HD3 ARG 120 8.441 -4.312 6.563 1056 HD3 ARG 120 HD2 ARG 120 7.310 -5.605 6.958 1057 HE ARG 120 HE ARG 120 9.987 -5.913 8.031 1058 HH11 ARG 120 HH11 ARG 120 6.731 -4.762 8.589 1059 HH12 ARG 120 HH12 ARG 120 6.867 -4.826 10.314 1060 HH21 ARG 120 HH21 ARG 120 10.179 -5.983 10.302 1061 HH22 ARG 120 HH22 ARG 120 8.826 -5.526 11.292 1062 H ASP 121 H ASP 121 11.186 -2.653 6.321 1063 HA ASP 121 HA ASP 121 14.054 -3.129 5.935 1064 HB2 ASP 121 HB3 ASP 121 13.343 -1.077 4.665 1065 HB3 ASP 121 HB2 ASP 121 12.850 -0.366 6.198 1066 H GLY 122 H GLY 122 14.116 -4.284 7.828 1067 HA2 GLY 122 HA3 GLY 122 14.536 -4.469 10.095 1068 HA3 GLY 122 HA2 GLY 122 14.232 -2.745 10.256 1069 H ASP 123 H ASP 123 12.425 -2.147 11.242 1070 HA ASP 123 HA ASP 123 10.282 -4.148 11.538 1071 HB2 ASP 123 HB3 ASP 123 11.064 -1.816 13.293 1072 HB3 ASP 123 HB2 ASP 123 9.560 -2.707 13.494 1073 H TYR 124 H TYR 124 10.943 -1.908 9.466 1074 HA TYR 124 HA TYR 124 8.403 -0.448 9.676 1075 HB2 TYR 124 HB3 TYR 124 10.953 0.266 8.222 1076 HB3 TYR 124 HB2 TYR 124 9.466 1.206 8.146 1077 HD1 TYR 124 HD1 TYR 124 12.284 0.200 10.273 1078 HD2 TYR 124 HD2 TYR 124 8.763 2.572 10.005 1079 HE1 TYR 124 HE1 TYR 124 12.976 1.441 12.282 1080 HE2 TYR 124 HE2 TYR 124 9.444 3.817 12.009 1081 HH TYR 124 HH TYR 124 10.864 3.533 13.956 1082 H LEU 125 H LEU 125 6.935 -0.504 8.094 1083 HA LEU 125 HA LEU 125 7.394 -2.227 5.791 1084 HB2 LEU 125 HB3 LEU 125 5.319 -2.402 7.192 1085 HB3 LEU 125 HB2 LEU 125 4.914 -0.763 6.747 1086 HG LEU 125 HG LEU 125 3.687 -2.683 5.576 1087 HD11 LEU 125 HD11 LEU 125 3.627 -0.316 4.853 1088 HD12 LEU 125 HD12 LEU 125 3.458 -1.469 3.531 1089 HD13 LEU 125 HD13 LEU 125 4.997 -0.643 3.791 1090 HD21 LEU 125 HD21 LEU 125 4.760 -3.649 3.644 1091 HD22 LEU 125 HD22 LEU 125 5.674 -4.034 5.103 1092 HD23 LEU 125 HD23 LEU 125 6.252 -2.780 4.003 1093 H VAL 126 H VAL 126 7.983 -1.298 3.866 1094 HA VAL 126 HA VAL 126 7.978 1.644 3.874 1095 HB VAL 126 HB VAL 126 9.934 -0.156 2.440 1096 HG11 VAL 126 HG11 VAL 126 9.588 1.973 1.311 1097 HG12 VAL 126 HG12 VAL 126 11.187 1.919 2.052 1098 HG13 VAL 126 HG13 VAL 126 9.892 2.838 2.817 1099 HG21 VAL 126 HG21 VAL 126 11.568 0.596 4.106 1100 HG22 VAL 126 HG22 VAL 126 10.239 -0.286 4.858 1101 HG23 VAL 126 HG23 VAL 126 10.294 1.475 4.955 1102 H MET 127 H MET 127 6.770 2.584 2.450 1103 HA MET 127 HA MET 127 5.471 1.119 0.347 1104 HB2 MET 127 HB3 MET 127 4.340 2.911 1.631 1105 HB3 MET 127 HB2 MET 127 5.471 4.078 0.966 1106 HG2 MET 127 HG3 MET 127 3.849 4.421 -0.539 1107 HG3 MET 127 HG2 MET 127 4.515 2.981 -1.298 1108 HE1 MET 127 HE1 MET 127 3.473 0.600 0.669 1109 HE2 MET 127 HE2 MET 127 3.615 0.661 -1.087 1110 HE3 MET 127 HE3 MET 127 2.085 0.197 -0.344 1111 H LYS 128 H LYS 128 6.243 0.853 -1.649 1112 HA LYS 128 HA LYS 128 8.282 2.732 -2.623 1113 HB2 LYS 128 HB3 LYS 128 9.307 0.627 -2.517 1114 HB3 LYS 128 HB2 LYS 128 7.845 -0.211 -3.008 1115 HG2 LYS 128 HG3 LYS 128 9.339 -0.362 -4.816 1116 HG3 LYS 128 HG2 LYS 128 8.138 0.843 -5.274 1117 HD2 LYS 128 HD3 LYS 128 9.689 2.623 -4.644 1118 HD3 LYS 128 HD2 LYS 128 10.890 1.411 -4.188 1119 HE2 LYS 128 HE3 LYS 128 9.768 1.936 -6.930 1120 HE3 LYS 128 HE2 LYS 128 11.421 2.205 -6.382 1121 HZ1 LYS 128 HZ1 LYS 128 10.066 -0.431 -6.664 1122 HZ2 LYS 128 HZ2 LYS 128 11.631 -0.201 -6.057 1123 HZ3 LYS 128 HZ3 LYS 128 11.286 0.191 -7.664 1124 H MET 129 H MET 129 7.351 4.154 -3.969 1125 HA MET 129 HA MET 129 5.403 3.131 -5.939 1126 HB2 MET 129 HB3 MET 129 5.306 5.854 -4.617 1127 HB3 MET 129 HB2 MET 129 4.145 5.206 -5.765 1128 HG2 MET 129 HG3 MET 129 3.271 3.701 -4.210 1129 HG3 MET 129 HG2 MET 129 4.659 3.871 -3.137 1130 HE1 MET 129 HE1 MET 129 2.501 6.666 -4.955 1131 HE2 MET 129 HE2 MET 129 1.346 7.043 -3.676 1132 HE3 MET 129 HE3 MET 129 1.334 5.449 -4.436 1133 H SER 130 H SER 130 5.960 3.596 -8.017 1134 HA SER 130 HA SER 130 7.830 5.821 -8.448 1135 HB2 SER 130 HB3 SER 130 8.040 3.265 -10.006 1136 HB3 SER 130 HB2 SER 130 9.224 4.558 -9.852 1137 HG SER 130 HG SER 130 8.401 2.775 -7.803 1138 H TRP 131 H TRP 131 7.351 7.101 -10.062 1139 HA TRP 131 HA TRP 131 5.750 6.167 -12.311 1140 HB2 TRP 131 HB3 TRP 131 4.214 7.136 -10.486 1141 HB3 TRP 131 HB2 TRP 131 4.946 8.693 -10.877 1142 HD1 TRP 131 HD1 TRP 131 3.643 10.031 -12.613 1143 HE1 TRP 131 HE1 TRP 131 1.984 9.495 -14.509 1144 HE3 TRP 131 HE3 TRP 131 3.691 4.940 -12.294 1145 HZ2 TRP 131 HZ2 TRP 131 0.855 7.202 -15.715 1146 HZ3 TRP 131 HZ3 TRP 131 2.302 3.646 -13.851 1147 HH2 TRP 131 HH2 TRP 131 0.913 4.752 -15.528 1148 H LYS 132 H LYS 132 6.471 6.990 -14.146 1149 HA LYS 132 HA LYS 132 7.834 8.057 -15.586 1150 HB2 LYS 132 HB3 LYS 132 7.123 10.382 -13.797 1151 HB3 LYS 132 HB2 LYS 132 7.927 10.548 -15.350 1152 HG2 LYS 132 HG3 LYS 132 5.999 9.585 -16.474 1153 HG3 LYS 132 HG2 LYS 132 5.196 9.349 -14.919 1154 HD2 LYS 132 HD3 LYS 132 5.225 11.769 -14.546 1155 HD3 LYS 132 HD2 LYS 132 6.023 12.000 -16.100 1156 HE2 LYS 132 HE3 LYS 132 3.318 10.725 -15.736 1157 HE3 LYS 132 HE2 LYS 132 3.574 12.418 -16.148 1158 HZ1 LYS 132 HZ1 LYS 132 4.363 10.065 -17.777 1159 HZ2 LYS 132 HZ2 LYS 132 4.743 11.667 -18.159 1160 HZ3 LYS 132 HZ3 LYS 132 3.129 11.168 -18.123 1161 H GLY 133 H GLY 133 9.172 6.687 -13.557 1162 HA2 GLY 133 HA3 GLY 133 11.424 6.404 -13.070 1163 HA3 GLY 133 HA2 GLY 133 11.732 8.012 -13.698 1164 H VAL 134 H VAL 134 9.344 8.669 -11.696 1165 HA VAL 134 HA VAL 134 11.169 9.494 -9.587 1166 HB VAL 134 HB VAL 134 8.196 9.990 -9.624 1167 HG11 VAL 134 HG11 VAL 134 8.778 11.936 -8.278 1168 HG12 VAL 134 HG12 VAL 134 10.488 11.521 -8.400 1169 HG13 VAL 134 HG13 VAL 134 9.381 10.450 -7.539 1170 HG21 VAL 134 HG21 VAL 134 8.718 12.174 -10.701 1171 HG22 VAL 134 HG22 VAL 134 8.945 10.776 -11.750 1172 HG23 VAL 134 HG23 VAL 134 10.345 11.570 -11.026 1173 H SER 135 H SER 135 11.627 7.953 -8.104 1174 HA SER 135 HA SER 135 9.443 6.270 -7.151 1175 HB2 SER 135 HB3 SER 135 11.797 5.416 -5.936 1176 HB3 SER 135 HB2 SER 135 10.980 4.675 -7.308 1177 HG SER 135 HG SER 135 12.361 5.602 -8.672 1178 H THR 136 H THR 136 8.566 6.575 -5.288 1179 HA THR 136 HA THR 136 9.920 8.309 -3.332 1180 HB THR 136 HB THR 136 7.914 9.402 -4.124 1181 HG1 THR 136 HG1 THR 136 8.394 9.324 -1.779 1182 HG21 THR 136 HG21 THR 136 6.407 6.919 -3.311 1183 HG22 THR 136 HG22 THR 136 6.750 7.409 -4.970 1184 HG23 THR 136 HG23 THR 136 5.706 8.404 -3.956 1185 H SER 137 H SER 137 10.229 7.543 -1.322 1186 HA SER 137 HA SER 137 9.109 4.892 -0.711 1187 HB2 SER 137 HB3 SER 137 11.657 6.094 0.401 1188 HB3 SER 137 HB2 SER 137 11.079 4.442 0.613 1189 HG SER 137 HG SER 137 11.893 5.663 -1.819 1190 H ARG 138 H ARG 138 7.423 5.173 0.608 1191 HA ARG 138 HA ARG 138 7.586 7.252 2.667 1192 HB2 ARG 138 HB3 ARG 138 5.148 5.593 2.052 1193 HB3 ARG 138 HB2 ARG 138 5.232 7.145 2.872 1194 HG2 ARG 138 HG3 ARG 138 6.062 8.107 0.685 1195 HG3 ARG 138 HG2 ARG 138 5.593 6.574 -0.054 1196 HD2 ARG 138 HD3 ARG 138 3.758 8.009 -0.373 1197 HD3 ARG 138 HD2 ARG 138 3.303 6.953 0.965 1198 HE ARG 138 HE ARG 138 4.504 9.477 1.719 1199 HH11 ARG 138 HH11 ARG 138 1.567 7.657 1.184 1200 HH12 ARG 138 HH12 ARG 138 0.570 8.791 2.050 1201 HH21 ARG 138 HH21 ARG 138 3.218 10.966 2.875 1202 HH22 ARG 138 HH22 ARG 138 1.507 10.674 3.016 1203 H TYR 139 H TYR 139 7.772 6.752 4.779 1204 HA TYR 139 HA TYR 139 8.403 3.943 5.280 1205 HB2 TYR 139 HB3 TYR 139 9.166 6.434 6.812 1206 HB3 TYR 139 HB2 TYR 139 9.682 4.799 7.215 1207 HD1 TYR 139 HD1 TYR 139 10.143 7.630 4.964 1208 HD2 TYR 139 HD2 TYR 139 11.321 3.624 5.793 1209 HE1 TYR 139 HE1 TYR 139 12.066 7.886 3.460 1210 HE2 TYR 139 HE2 TYR 139 13.252 3.869 4.285 1211 HH TYR 139 HH TYR 139 13.896 5.278 2.348 1212 H TYR 140 H TYR 140 6.880 2.786 6.171 1213 HA TYR 140 HA TYR 140 5.061 4.015 8.128 1214 HB2 TYR 140 HB3 TYR 140 4.844 1.436 6.555 1215 HB3 TYR 140 HB2 TYR 140 3.716 1.915 7.811 1216 HD1 TYR 140 HD1 TYR 140 1.769 3.032 7.179 1217 HD2 TYR 140 HD2 TYR 140 5.159 3.168 4.614 1218 HE1 TYR 140 HE1 TYR 140 0.451 4.269 5.509 1219 HE2 TYR 140 HE2 TYR 140 3.851 4.391 2.937 1220 HH TYR 140 HH TYR 140 0.537 5.466 3.581 1221 H LYS 141 H LYS 141 5.158 3.391 10.213 1222 HA LYS 141 HA LYS 141 6.817 1.047 10.883 1223 HB2 LYS 141 HB3 LYS 141 7.060 1.934 13.085 1224 HB3 LYS 141 HB2 LYS 141 7.512 3.181 11.931 1225 HG2 LYS 141 HG3 LYS 141 5.754 4.506 12.458 1226 HG3 LYS 141 HG2 LYS 141 4.708 3.141 12.868 1227 HD2 LYS 141 HD3 LYS 141 5.401 4.511 14.818 1228 HD3 LYS 141 HD2 LYS 141 5.845 2.810 14.939 1229 HE2 LYS 141 HE3 LYS 141 8.094 3.348 14.128 1230 HE3 LYS 141 HE2 LYS 141 7.657 5.057 14.081 1231 HZ1 LYS 141 HZ1 LYS 141 7.271 4.982 16.477 1232 HZ2 LYS 141 HZ2 LYS 141 8.860 4.542 16.099 1233 HZ3 LYS 141 HZ3 LYS 141 7.730 3.356 16.514 1234 H LYS 142 H LYS 142 5.850 -0.266 12.745 1235 HA LYS 142 HA LYS 142 3.217 -0.980 12.459 1236 HB2 LYS 142 HB3 LYS 142 4.872 -2.220 13.788 1237 HB3 LYS 142 HB2 LYS 142 4.819 -0.971 15.023 1238 HG2 LYS 142 HG3 LYS 142 2.499 -1.507 15.497 1239 HG3 LYS 142 HG2 LYS 142 2.507 -2.724 14.218 1240 HD2 LYS 142 HD3 LYS 142 4.147 -4.027 15.399 1241 HD3 LYS 142 HD2 LYS 142 4.322 -2.770 16.625 1242 HE2 LYS 142 HE3 LYS 142 1.770 -4.269 16.064 1243 HE3 LYS 142 HE2 LYS 142 2.911 -4.691 17.339 1244 HZ1 LYS 142 HZ1 LYS 142 1.452 -2.105 17.108 1245 HZ2 LYS 142 HZ2 LYS 142 2.544 -2.520 18.333 1246 HZ3 LYS 142 HZ3 LYS 142 1.086 -3.358 18.186 1247 H GLN 143 H GLN 143 1.218 -0.439 13.664 1248 HA GLN 143 HA GLN 143 1.224 2.061 15.096 1249 HB2 GLN 143 HB3 GLN 143 -0.852 -0.080 14.622 1250 HB3 GLN 143 HB2 GLN 143 -1.142 1.226 15.761 1251 HG2 GLN 143 HG3 GLN 143 -0.331 1.824 12.950 1252 HG3 GLN 143 HG2 GLN 143 -2.002 1.424 13.337 1253 HE21 GLN 143 HE21 GLN 143 0.073 3.166 15.545 1254 HE22 GLN 143 HE22 GLN 143 -0.745 4.679 15.419 1255 H21 OLA1001 H21 OLA1001 -1.101 6.412 -1.300 1256 H22 OLA1001 H22 OLA1001 0.066 7.642 -0.802 1257 H31 OLA1001 H31 OLA1001 -0.993 7.900 1.316 1258 H32 OLA1001 H32 OLA1001 -2.010 6.485 1.047 1259 H41 OLA1001 H41 OLA1001 -3.033 7.718 -0.892 1260 H42 OLA1001 H42 OLA1001 -2.172 9.155 -0.326 1261 H51 OLA1001 H51 OLA1001 -3.343 9.164 1.728 1262 H52 OLA1001 H52 OLA1001 -3.962 7.535 1.466 1263 H61 OLA1001 H61 OLA1001 -5.769 9.003 1.059 1264 H62 OLA1001 H62 OLA1001 -5.211 8.451 -0.521 1265 H71 OLA1001 H71 OLA1001 -3.867 10.537 -0.699 1266 H72 OLA1001 H72 OLA1001 -4.633 11.096 0.789 1267 H81 OLA1001 H81 OLA1001 -6.833 10.833 -0.300 1268 H82 OLA1001 H82 OLA1001 -6.008 10.406 -1.790 1269 H9 OLA1001 H9 OLA1001 -5.096 12.987 -0.762 1270 H10 OLA1001 H10 OLA1001 -6.521 14.091 -2.306 1271 H111 OLA1001 H111 OLA1001 -8.543 13.118 -3.035 1272 H112 OLA1001 H112 OLA1001 -8.165 11.569 -2.299 1273 H121 OLA1001 H121 OLA1001 -7.049 12.659 -4.878 1274 H122 OLA1001 H122 OLA1001 -8.200 11.334 -4.695 1275 H131 OLA1001 H131 OLA1001 -6.535 9.992 -3.576 1276 H132 OLA1001 H132 OLA1001 -5.393 11.332 -3.605 1277 H141 OLA1001 H141 OLA1001 -5.300 11.255 -6.015 1278 H142 OLA1001 H142 OLA1001 -6.523 9.984 -6.052 1279 H151 OLA1001 H151 OLA1001 -4.391 8.941 -6.325 1280 H152 OLA1001 H152 OLA1001 -4.960 8.564 -4.698 1281 H161 OLA1001 H161 OLA1001 -3.529 10.316 -3.763 1282 H162 OLA1001 H162 OLA1001 -3.000 10.749 -5.395 1283 H171 OLA1001 H171 OLA1001 -2.045 8.509 -5.679 1284 H172 OLA1001 H172 OLA1001 -2.550 8.094 -4.041 1285 H181 OLA1001 H181 OLA1001 -0.233 8.621 -3.983 1286 H182 OLA1001 H182 OLA1001 -1.108 9.946 -3.205 1287 H183 OLA1001 H183 OLA1001 -0.498 10.137 -4.860 Start of MODEL 2 1 H1 MET -11 H1 MET -11 6.974 -17.517 -12.907 2 H2 MET -11 H2 MET -11 5.673 -17.200 -13.936 3 H3 MET -11 H3 MET -11 7.123 -17.791 -14.568 4 HA MET -11 HA MET -11 5.338 -19.229 -12.704 5 HB2 MET -11 HB3 MET -11 4.845 -20.703 -14.614 6 HB3 MET -11 HB2 MET -11 4.313 -19.054 -14.895 7 HG2 MET -11 HG3 MET -11 6.315 -18.669 -16.270 8 HG3 MET -11 HG2 MET -11 6.781 -20.349 -16.021 9 HE1 MET -11 HE1 MET -11 6.948 -20.732 -18.634 10 HE2 MET -11 HE2 MET -11 6.501 -19.048 -18.905 11 HE3 MET -11 HE3 MET -11 5.658 -20.333 -19.767 12 H ARG -10 H ARG -10 8.472 -18.866 -14.010 13 HA ARG -10 HA ARG -10 9.226 -21.511 -12.952 14 HB2 ARG -10 HB3 ARG -10 10.535 -19.910 -15.160 15 HB3 ARG -10 HB2 ARG -10 11.179 -21.403 -14.492 16 HG2 ARG -10 HG3 ARG -10 9.267 -22.635 -15.281 17 HG3 ARG -10 HG2 ARG -10 8.505 -21.148 -15.843 18 HD2 ARG -10 HD3 ARG -10 10.315 -20.811 -17.440 19 HD3 ARG -10 HD2 ARG -10 11.104 -22.278 -16.864 20 HE ARG -10 HE ARG -10 8.530 -22.981 -17.641 21 HH11 ARG -10 HH11 ARG -10 11.423 -21.695 -19.128 22 HH12 ARG -10 HH12 ARG -10 11.125 -22.447 -20.661 23 HH21 ARG -10 HH21 ARG -10 8.133 -23.982 -19.659 24 HH22 ARG -10 HH22 ARG -10 9.253 -23.748 -20.963 25 H GLY -9 H GLY -9 11.505 -21.562 -12.097 26 HA2 GLY -9 HA3 GLY -9 13.294 -19.816 -11.439 27 HA3 GLY -9 HA2 GLY -9 11.958 -19.106 -10.544 28 H SER -8 H SER -8 13.171 -19.405 -8.619 29 HA SER -8 HA SER -8 13.710 -22.149 -7.805 30 HB2 SER -8 HB3 SER -8 14.241 -19.590 -6.281 31 HB3 SER -8 HB2 SER -8 14.925 -21.183 -5.958 32 HG SER -8 HG SER -8 15.395 -19.513 -8.202 33 H HIS -7 H HIS -7 11.311 -22.494 -7.887 34 HA HIS -7 HA HIS -7 10.369 -22.541 -5.183 35 HB2 HIS -7 HB3 HIS -7 8.170 -21.495 -5.645 36 HB3 HIS -7 HB2 HIS -7 9.497 -20.353 -5.770 37 HD1 HIS -7 HD1 HIS -7 10.040 -19.420 -8.130 38 HD2 HIS -7 HD2 HIS -7 6.732 -21.930 -7.988 39 HE1 HIS -7 HE1 HIS -7 8.837 -19.072 -10.306 40 HE2 HIS -7 HE2 HIS -7 6.713 -20.408 -10.078 41 H HIS -6 H HIS -6 8.963 -24.212 -4.836 42 HA HIS -6 HA HIS -6 9.167 -26.255 -6.855 43 HB2 HIS -6 HB3 HIS -6 9.604 -26.637 -4.418 44 HB3 HIS -6 HB2 HIS -6 7.888 -26.398 -4.117 45 HD1 HIS -6 HD1 HIS -6 7.000 -28.629 -3.548 46 HD2 HIS -6 HD2 HIS -6 9.597 -28.785 -6.788 47 HE1 HIS -6 HE1 HIS -6 6.957 -31.014 -4.334 48 HE2 HIS -6 HE2 HIS -6 8.416 -31.051 -6.387 49 H HIS -5 H HIS -5 7.580 -27.172 -8.028 50 HA HIS -5 HA HIS -5 4.908 -25.956 -7.909 51 HB2 HIS -5 HB3 HIS -5 6.198 -27.578 -10.108 52 HB3 HIS -5 HB2 HIS -5 4.591 -26.871 -10.164 53 HD1 HIS -5 HD1 HIS -5 8.068 -26.167 -10.961 54 HD2 HIS -5 HD2 HIS -5 4.648 -23.951 -10.140 55 HE1 HIS -5 HE1 HIS -5 8.544 -23.851 -11.806 56 HE2 HIS -5 HE2 HIS -5 6.372 -22.610 -11.526 57 H HIS -4 H HIS -4 3.387 -27.843 -9.102 58 HA HIS -4 HA HIS -4 2.239 -29.778 -8.853 59 HB2 HIS -4 HB3 HIS -4 4.736 -30.786 -7.477 60 HB3 HIS -4 HB2 HIS -4 3.343 -31.783 -7.873 61 HD1 HIS -4 HD1 HIS -4 6.559 -31.001 -9.126 62 HD2 HIS -4 HD2 HIS -4 2.826 -31.566 -10.868 63 HE1 HIS -4 HE1 HIS -4 7.010 -31.491 -11.551 64 HE2 HIS -4 HE2 HIS -4 4.738 -31.773 -12.597 65 H HIS -3 H HIS -3 4.089 -29.822 -5.816 66 HA HIS -3 HA HIS -3 1.580 -29.784 -4.326 67 HB2 HIS -3 HB3 HIS -3 3.432 -31.357 -3.692 68 HB3 HIS -3 HB2 HIS -3 4.423 -29.964 -3.281 69 HD1 HIS -3 HD1 HIS -3 1.505 -31.978 -2.073 70 HD2 HIS -3 HD2 HIS -3 3.793 -28.731 -0.842 71 HE1 HIS -3 HE1 HIS -3 0.899 -31.595 0.335 72 HE2 HIS -3 HE2 HIS -3 2.256 -29.598 1.049 73 H HIS -2 H HIS -2 1.188 -27.585 -5.199 74 HA HIS -2 HA HIS -2 2.087 -25.559 -3.378 75 HB2 HIS -2 HB3 HIS -2 4.001 -25.644 -4.917 76 HB3 HIS -2 HB2 HIS -2 2.922 -25.399 -6.283 77 HD1 HIS -2 HD1 HIS -2 4.545 -23.593 -3.442 78 HD2 HIS -2 HD2 HIS -2 2.065 -22.767 -6.670 79 HE1 HIS -2 HE1 HIS -2 4.511 -21.089 -3.642 80 HE2 HIS -2 HE2 HIS -2 2.848 -20.616 -5.476 81 H GLY -1 H GLY -1 0.156 -24.742 -2.939 82 HA2 GLY -1 HA3 GLY -1 -1.764 -24.306 -5.110 83 HA3 GLY -1 HA2 GLY -1 -2.113 -24.229 -3.388 84 H SER 0 H SER 0 -1.607 -22.365 -2.225 85 HA SER 0 HA SER 0 -1.160 -19.997 -3.910 86 HB2 SER 0 HB3 SER 0 -2.431 -20.141 -1.166 87 HB3 SER 0 HB2 SER 0 -2.377 -18.737 -2.231 88 HG SER 0 HG SER 0 -3.440 -20.834 -3.535 89 H LYS 1 H LYS 1 0.274 -18.379 -3.165 90 HA LYS 1 HA LYS 1 2.388 -19.321 -1.424 91 HB2 LYS 1 HB3 LYS 1 2.063 -16.604 -2.720 92 HB3 LYS 1 HB2 LYS 1 3.530 -17.256 -2.005 93 HG2 LYS 1 HG3 LYS 1 3.756 -18.867 -3.736 94 HG3 LYS 1 HG2 LYS 1 2.150 -18.497 -4.365 95 HD2 LYS 1 HD3 LYS 1 3.833 -17.477 -5.768 96 HD3 LYS 1 HD2 LYS 1 2.919 -16.228 -4.928 97 HE2 LYS 1 HE3 LYS 1 4.713 -15.951 -3.325 98 HE3 LYS 1 HE2 LYS 1 5.612 -17.275 -4.068 99 HZ1 LYS 1 HZ1 LYS 1 5.761 -15.968 -6.105 100 HZ2 LYS 1 HZ2 LYS 1 6.454 -15.144 -4.802 101 HZ3 LYS 1 HZ3 LYS 1 4.926 -14.692 -5.371 102 H THR 2 H THR 2 2.106 -19.188 0.718 103 HA THR 2 HA THR 2 0.045 -17.558 1.836 104 HB THR 2 HB THR 2 2.219 -18.860 3.438 105 HG1 THR 2 HG1 THR 2 -0.095 -20.133 2.311 106 HG21 THR 2 HG21 THR 2 0.416 -19.190 5.053 107 HG22 THR 2 HG22 THR 2 -0.734 -18.467 3.929 108 HG23 THR 2 HG23 THR 2 0.560 -17.487 4.618 109 H LEU 3 H LEU 3 0.187 -15.572 2.611 110 HA LEU 3 HA LEU 3 2.471 -13.963 2.239 111 HB2 LEU 3 HB3 LEU 3 -0.236 -13.566 2.963 112 HB3 LEU 3 HB2 LEU 3 0.743 -12.821 4.207 113 HG LEU 3 HG LEU 3 0.545 -12.118 1.299 114 HD11 LEU 3 HD11 LEU 3 0.235 -9.888 2.228 115 HD12 LEU 3 HD12 LEU 3 0.442 -10.539 3.851 116 HD13 LEU 3 HD13 LEU 3 -0.945 -11.030 2.876 117 HD21 LEU 3 HD21 LEU 3 2.429 -10.542 1.671 118 HD22 LEU 3 HD22 LEU 3 2.909 -12.237 1.635 119 HD23 LEU 3 HD23 LEU 3 2.781 -11.390 3.179 120 HA PRO 4 HA PRO 4 4.665 -15.091 6.012 121 HB2 PRO 4 HB3 PRO 4 6.250 -12.716 5.270 122 HB3 PRO 4 HB2 PRO 4 6.782 -14.375 5.550 123 HG2 PRO 4 HG3 PRO 4 6.701 -13.301 3.086 124 HG3 PRO 4 HG2 PRO 4 6.370 -15.017 3.379 125 HD2 PRO 4 HD3 PRO 4 4.465 -12.786 2.820 126 HD3 PRO 4 HD2 PRO 4 4.400 -14.488 2.317 127 H ASP 5 H ASP 5 4.365 -14.366 8.028 128 HA ASP 5 HA ASP 5 2.587 -12.307 8.630 129 HB2 ASP 5 HB3 ASP 5 4.650 -13.613 10.414 130 HB3 ASP 5 HB2 ASP 5 3.328 -12.602 10.985 131 H LYS 6 H LYS 6 5.984 -12.252 8.110 132 HA LYS 6 HA LYS 6 6.801 -9.927 9.285 133 HB2 LYS 6 HB3 LYS 6 8.157 -11.610 8.051 134 HB3 LYS 6 HB2 LYS 6 7.548 -10.943 6.546 135 HG2 LYS 6 HG3 LYS 6 8.762 -8.982 6.782 136 HG3 LYS 6 HG2 LYS 6 8.994 -9.223 8.519 137 HD2 LYS 6 HD3 LYS 6 10.466 -11.084 8.108 138 HD3 LYS 6 HD2 LYS 6 10.156 -10.998 6.377 139 HE2 LYS 6 HE3 LYS 6 11.386 -8.774 7.972 140 HE3 LYS 6 HE2 LYS 6 12.324 -10.002 7.128 141 HZ1 LYS 6 HZ1 LYS 6 12.116 -8.033 5.775 142 HZ2 LYS 6 HZ2 LYS 6 10.433 -8.087 5.879 143 HZ3 LYS 6 HZ3 LYS 6 11.265 -9.302 5.053 144 H PHE 7 H PHE 7 4.812 -10.286 6.357 145 HA PHE 7 HA PHE 7 5.027 -7.425 5.800 146 HB2 PHE 7 HB3 PHE 7 3.566 -9.666 4.389 147 HB3 PHE 7 HB2 PHE 7 3.470 -7.981 3.896 148 HD1 PHE 7 HD1 PHE 7 5.780 -6.824 3.446 149 HD2 PHE 7 HD2 PHE 7 5.131 -11.029 3.406 150 HE1 PHE 7 HE1 PHE 7 7.765 -7.115 2.025 151 HE2 PHE 7 HE2 PHE 7 7.116 -11.325 1.988 152 HZ PHE 7 HZ PHE 7 8.433 -9.368 1.296 153 H LEU 8 H LEU 8 3.339 -9.197 7.964 154 HA LEU 8 HA LEU 8 0.739 -7.985 7.418 155 HB2 LEU 8 HB3 LEU 8 1.509 -10.192 9.321 156 HB3 LEU 8 HB2 LEU 8 -0.120 -9.602 9.064 157 HG LEU 8 HG LEU 8 1.589 -10.932 6.960 158 HD11 LEU 8 HD11 LEU 8 0.779 -12.379 8.860 159 HD12 LEU 8 HD12 LEU 8 0.279 -12.863 7.241 160 HD13 LEU 8 HD13 LEU 8 -0.857 -12.032 8.305 161 HD21 LEU 8 HD21 LEU 8 -0.542 -11.020 5.703 162 HD22 LEU 8 HD22 LEU 8 0.056 -9.382 5.955 163 HD23 LEU 8 HD23 LEU 8 -1.277 -9.997 6.938 164 H GLY 9 H GLY 9 -0.531 -7.314 9.294 165 HA2 GLY 9 HA3 GLY 9 -0.467 -6.611 11.668 166 HA3 GLY 9 HA2 GLY 9 1.136 -5.965 11.332 167 H THR 10 H THR 10 0.126 -3.966 12.221 168 HA THR 10 HA THR 10 -1.011 -2.486 9.953 169 HB THR 10 HB THR 10 -2.762 -2.854 11.686 170 HG1 THR 10 HG1 THR 10 -2.389 -0.802 10.328 171 HG21 THR 10 HG21 THR 10 -0.892 -1.220 13.362 172 HG22 THR 10 HG22 THR 10 -1.417 -2.875 13.670 173 HG23 THR 10 HG23 THR 10 -2.574 -1.548 13.779 174 H PHE 11 H PHE 11 -0.177 -0.520 9.594 175 HA PHE 11 HA PHE 11 1.993 0.391 11.359 176 HB2 PHE 11 HB3 PHE 11 2.078 0.374 8.336 177 HB3 PHE 11 HB2 PHE 11 3.372 0.872 9.418 178 HD1 PHE 11 HD1 PHE 11 4.767 -0.743 10.515 179 HD2 PHE 11 HD2 PHE 11 1.521 -1.989 8.060 180 HE1 PHE 11 HE1 PHE 11 5.659 -3.036 10.506 181 HE2 PHE 11 HE2 PHE 11 2.407 -4.282 8.048 182 HZ PHE 11 HZ PHE 11 4.480 -4.808 9.266 183 H LYS 12 H LYS 12 1.917 2.528 11.894 184 HA LYS 12 HA LYS 12 0.135 4.254 10.340 185 HB2 LYS 12 HB3 LYS 12 0.527 5.936 12.032 186 HB3 LYS 12 HB2 LYS 12 0.112 4.416 12.809 187 HG2 LYS 12 HG3 LYS 12 2.137 4.205 13.787 188 HG3 LYS 12 HG2 LYS 12 2.989 4.946 12.430 189 HD2 LYS 12 HD3 LYS 12 3.111 6.378 14.389 190 HD3 LYS 12 HD2 LYS 12 2.158 7.149 13.121 191 HE2 LYS 12 HE3 LYS 12 0.906 7.527 15.038 192 HE3 LYS 12 HE2 LYS 12 0.134 6.118 14.312 193 HZ1 LYS 12 HZ1 LYS 12 0.446 5.873 16.709 194 HZ2 LYS 12 HZ2 LYS 12 2.116 6.031 16.520 195 HZ3 LYS 12 HZ3 LYS 12 1.315 4.692 15.858 196 H LEU 13 H LEU 13 0.806 5.737 8.921 197 HA LEU 13 HA LEU 13 3.303 5.840 7.762 198 HB2 LEU 13 HB3 LEU 13 1.051 6.864 7.038 199 HB3 LEU 13 HB2 LEU 13 1.514 8.248 8.000 200 HG LEU 13 HG LEU 13 3.148 7.216 5.680 201 HD11 LEU 13 HD11 LEU 13 1.124 9.442 5.776 202 HD12 LEU 13 HD12 LEU 13 0.963 7.921 4.900 203 HD13 LEU 13 HD13 LEU 13 2.196 9.086 4.424 204 HD21 LEU 13 HD21 LEU 13 4.184 9.423 5.760 205 HD22 LEU 13 HD22 LEU 13 4.403 8.568 7.287 206 HD23 LEU 13 HD23 LEU 13 3.194 9.847 7.156 207 H GLU 14 H GLU 14 5.225 6.384 8.606 208 HA GLU 14 HA GLU 14 5.391 8.291 10.789 209 HB2 GLU 14 HB3 GLU 14 6.746 6.243 10.879 210 HB3 GLU 14 HB2 GLU 14 7.523 6.680 9.365 211 HG2 GLU 14 HG3 GLU 14 9.018 7.180 11.146 212 HG3 GLU 14 HG2 GLU 14 8.432 8.702 10.477 213 H ARG 15 H ARG 15 6.791 7.895 7.518 214 HA ARG 15 HA ARG 15 6.570 10.680 6.931 215 HB2 ARG 15 HB3 ARG 15 8.916 11.218 6.816 216 HB3 ARG 15 HB2 ARG 15 8.547 10.663 8.442 217 HG2 ARG 15 HG3 ARG 15 9.593 8.588 8.084 218 HG3 ARG 15 HG2 ARG 15 9.656 8.836 6.336 219 HD2 ARG 15 HD3 ARG 15 11.181 10.346 8.438 220 HD3 ARG 15 HD2 ARG 15 11.837 9.186 7.284 221 HE ARG 15 HE ARG 15 10.493 11.535 6.192 222 HH11 ARG 15 HH11 ARG 15 13.522 9.959 6.954 223 HH12 ARG 15 HH12 ARG 15 14.455 10.968 5.899 224 HH21 ARG 15 HH21 ARG 15 11.707 12.853 4.792 225 HH22 ARG 15 HH22 ARG 15 13.422 12.618 4.665 226 H ASP 16 H ASP 16 8.326 11.009 4.925 227 HA ASP 16 HA ASP 16 8.619 8.692 3.271 228 HB2 ASP 16 HB3 ASP 16 7.269 9.573 1.366 229 HB3 ASP 16 HB2 ASP 16 6.298 9.088 2.750 230 H GLU 17 H GLU 17 9.474 9.397 1.032 231 HA GLU 17 HA GLU 17 10.967 11.917 1.170 232 HB2 GLU 17 HB3 GLU 17 12.199 9.207 0.627 233 HB3 GLU 17 HB2 GLU 17 13.017 10.740 0.372 234 HG2 GLU 17 HG3 GLU 17 12.739 11.214 2.798 235 HG3 GLU 17 HG2 GLU 17 12.102 9.580 2.990 236 H ASN 18 H ASN 18 10.814 12.987 -0.698 237 HA ASN 18 HA ASN 18 10.713 13.484 -2.919 238 HB2 ASN 18 HB3 ASN 18 12.414 11.601 -3.094 239 HB3 ASN 18 HB2 ASN 18 11.072 10.545 -3.521 240 HD21 ASN 18 HD21 ASN 18 11.965 10.137 -5.538 241 HD22 ASN 18 HD22 ASN 18 11.929 11.315 -6.805 242 H PHE 19 H PHE 19 8.439 12.621 -1.292 243 HA PHE 19 HA PHE 19 6.690 11.042 -2.902 244 HB2 PHE 19 HB3 PHE 19 6.575 11.148 -0.414 245 HB3 PHE 19 HB2 PHE 19 5.963 12.792 -0.551 246 HD1 PHE 19 HD1 PHE 19 5.224 9.549 -2.228 247 HD2 PHE 19 HD2 PHE 19 3.719 12.931 -0.134 248 HE1 PHE 19 HE1 PHE 19 2.944 8.668 -2.455 249 HE2 PHE 19 HE2 PHE 19 1.435 12.053 -0.354 250 HZ PHE 19 HZ PHE 19 1.046 9.917 -1.520 251 H ASP 20 H ASP 20 6.926 14.509 -2.197 252 HA ASP 20 HA ASP 20 4.728 15.454 -3.555 253 HB2 ASP 20 HB3 ASP 20 6.183 16.891 -2.222 254 HB3 ASP 20 HB2 ASP 20 7.486 16.687 -3.389 255 H GLU 21 H GLU 21 7.990 15.023 -4.909 256 HA GLU 21 HA GLU 21 7.365 15.735 -7.528 257 HB2 GLU 21 HB3 GLU 21 9.496 13.823 -6.570 258 HB3 GLU 21 HB2 GLU 21 9.415 14.519 -8.185 259 HG2 GLU 21 HG3 GLU 21 9.511 16.781 -7.074 260 HG3 GLU 21 HG2 GLU 21 9.907 15.924 -5.587 261 H TYR 22 H TYR 22 7.147 12.581 -5.923 262 HA TYR 22 HA TYR 22 6.491 11.064 -8.190 263 HB2 TYR 22 HB3 TYR 22 7.006 9.960 -6.111 264 HB3 TYR 22 HB2 TYR 22 5.642 10.729 -5.309 265 HD1 TYR 22 HD1 TYR 22 3.471 9.788 -5.423 266 HD2 TYR 22 HD2 TYR 22 6.576 8.243 -7.886 267 HE1 TYR 22 HE1 TYR 22 2.035 7.890 -6.033 268 HE2 TYR 22 HE2 TYR 22 5.149 6.336 -8.499 269 HH TYR 22 HH TYR 22 3.201 5.115 -7.574 270 H LEU 23 H LEU 23 4.491 13.096 -6.110 271 HA LEU 23 HA LEU 23 1.996 12.266 -7.173 272 HB2 LEU 23 HB3 LEU 23 2.750 14.872 -5.847 273 HB3 LEU 23 HB2 LEU 23 1.110 14.327 -6.151 274 HG LEU 23 HG LEU 23 3.103 13.012 -4.305 275 HD11 LEU 23 HD11 LEU 23 0.545 14.497 -3.735 276 HD12 LEU 23 HD12 LEU 23 2.174 15.110 -3.457 277 HD13 LEU 23 HD13 LEU 23 1.587 13.719 -2.545 278 HD21 LEU 23 HD21 LEU 23 1.682 11.358 -5.379 279 HD22 LEU 23 HD22 LEU 23 0.246 12.286 -4.944 280 HD23 LEU 23 HD23 LEU 23 1.238 11.552 -3.684 281 H LYS 24 H LYS 24 4.290 14.782 -8.037 282 HA LYS 24 HA LYS 24 2.730 16.077 -10.005 283 HB2 LYS 24 HB3 LYS 24 5.735 15.736 -9.840 284 HB3 LYS 24 HB2 LYS 24 4.907 16.859 -10.904 285 HG2 LYS 24 HG3 LYS 24 4.044 18.072 -8.980 286 HG3 LYS 24 HG2 LYS 24 4.841 16.929 -7.896 287 HD2 LYS 24 HD3 LYS 24 7.017 17.580 -8.791 288 HD3 LYS 24 HD2 LYS 24 6.232 18.698 -9.908 289 HE2 LYS 24 HE3 LYS 24 6.081 18.860 -6.903 290 HE3 LYS 24 HE2 LYS 24 7.168 19.812 -7.911 291 HZ1 LYS 24 HZ1 LYS 24 4.210 19.869 -8.106 292 HZ2 LYS 24 HZ2 LYS 24 5.292 20.854 -8.953 293 HZ3 LYS 24 HZ3 LYS 24 5.140 21.008 -7.275 294 H ALA 25 H ALA 25 5.001 13.408 -10.107 295 HA ALA 25 HA ALA 25 4.978 12.891 -12.854 296 HB1 ALA 25 HB1 ALA 25 5.373 10.964 -10.571 297 HB2 ALA 25 HB2 ALA 25 6.626 11.929 -11.351 298 HB3 ALA 25 HB3 ALA 25 5.799 10.660 -12.254 299 H ARG 26 H ARG 26 2.924 11.617 -10.267 300 HA ARG 26 HA ARG 26 1.480 9.827 -11.958 301 HB2 ARG 26 HB3 ARG 26 1.018 10.867 -9.181 302 HB3 ARG 26 HB2 ARG 26 -0.185 9.867 -9.984 303 HG2 ARG 26 HG3 ARG 26 2.678 9.050 -9.556 304 HG3 ARG 26 HG2 ARG 26 1.347 8.623 -8.479 305 HD2 ARG 26 HD3 ARG 26 1.498 7.922 -11.412 306 HD3 ARG 26 HD2 ARG 26 1.913 6.833 -10.090 307 HE ARG 26 HE ARG 26 -0.468 7.088 -9.366 308 HH11 ARG 26 HH11 ARG 26 0.432 7.596 -12.723 309 HH12 ARG 26 HH12 ARG 26 -1.144 7.187 -13.334 310 HH21 ARG 26 HH21 ARG 26 -2.503 6.532 -10.162 311 HH22 ARG 26 HH22 ARG 26 -2.809 6.567 -11.882 312 H GLY 27 H GLY 27 1.353 13.170 -11.647 313 HA2 GLY 27 HA3 GLY 27 0.077 14.526 -13.079 314 HA3 GLY 27 HA2 GLY 27 -1.053 13.199 -13.295 315 H TYR 28 H TYR 28 -0.057 14.050 -10.091 316 HA TYR 28 HA TYR 28 -2.761 14.959 -9.524 317 HB2 TYR 28 HB3 TYR 28 -0.422 14.290 -7.733 318 HB3 TYR 28 HB2 TYR 28 -1.934 14.961 -7.130 319 HD1 TYR 28 HD1 TYR 28 -0.182 11.987 -7.719 320 HD2 TYR 28 HD2 TYR 28 -4.093 13.642 -7.932 321 HE1 TYR 28 HE1 TYR 28 -1.139 9.724 -7.606 322 HE2 TYR 28 HE2 TYR 28 -5.064 11.389 -7.820 323 HH TYR 28 HH TYR 28 -3.210 8.615 -7.032 324 H GLY 29 H GLY 29 -3.288 16.999 -9.434 325 HA2 GLY 29 HA3 GLY 29 -1.339 19.014 -9.994 326 HA3 GLY 29 HA2 GLY 29 -3.063 19.259 -9.771 327 H TRP 30 H TRP 30 -1.996 21.207 -8.735 328 HA TRP 30 HA TRP 30 -0.456 21.100 -6.437 329 HB2 TRP 30 HB3 TRP 30 -0.784 23.155 -7.693 330 HB3 TRP 30 HB2 TRP 30 -2.496 23.165 -7.293 331 HD1 TRP 30 HD1 TRP 30 0.935 23.850 -5.742 332 HE1 TRP 30 HE1 TRP 30 0.607 25.226 -3.593 333 HE3 TRP 30 HE3 TRP 30 -4.155 23.685 -5.470 334 HZ2 TRP 30 HZ2 TRP 30 -1.551 26.132 -1.996 335 HZ3 TRP 30 HZ3 TRP 30 -5.277 24.831 -3.611 336 HH2 TRP 30 HH2 TRP 30 -4.008 26.022 -1.914 337 H ILE 31 H ILE 31 -4.010 21.385 -6.671 338 HA ILE 31 HA ILE 31 -4.571 21.455 -3.964 339 HB ILE 31 HB ILE 31 -6.092 20.822 -6.405 340 HG12 ILE 31 HG13 ILE 31 -5.958 23.063 -5.370 341 HG13 ILE 31 HG12 ILE 31 -7.612 22.462 -5.469 342 HG21 ILE 31 HG21 ILE 31 -7.109 19.920 -3.717 343 HG22 ILE 31 HG22 ILE 31 -6.735 18.883 -5.096 344 HG23 ILE 31 HG23 ILE 31 -8.075 20.031 -5.190 345 HD11 ILE 31 HD11 ILE 31 -7.498 21.811 -3.118 346 HD12 ILE 31 HD12 ILE 31 -7.206 23.537 -3.341 347 HD13 ILE 31 HD13 ILE 31 -5.855 22.444 -3.035 348 H MET 32 H MET 32 -4.562 18.594 -6.072 349 HA MET 32 HA MET 32 -5.113 16.728 -4.102 350 HB2 MET 32 HB3 MET 32 -3.582 16.471 -6.675 351 HB3 MET 32 HB2 MET 32 -3.848 15.098 -5.610 352 HG2 MET 32 HG3 MET 32 -5.863 16.702 -7.115 353 HG3 MET 32 HG2 MET 32 -5.538 14.983 -7.216 354 HE1 MET 32 HE1 MET 32 -5.885 13.391 -4.957 355 HE2 MET 32 HE2 MET 32 -6.783 13.953 -3.542 356 HE3 MET 32 HE3 MET 32 -5.201 14.638 -3.913 357 H ARG 33 H ARG 33 -1.970 17.989 -5.152 358 HA ARG 33 HA ARG 33 -0.433 16.266 -3.545 359 HB2 ARG 33 HB3 ARG 33 0.213 19.039 -4.545 360 HB3 ARG 33 HB2 ARG 33 1.381 17.935 -3.823 361 HG2 ARG 33 HG3 ARG 33 0.824 16.306 -5.626 362 HG3 ARG 33 HG2 ARG 33 -0.141 17.568 -6.389 363 HD2 ARG 33 HD3 ARG 33 2.821 17.629 -5.836 364 HD3 ARG 33 HD2 ARG 33 2.040 17.479 -7.407 365 HE ARG 33 HE ARG 33 2.121 19.895 -5.739 366 HH11 ARG 33 HH11 ARG 33 1.318 18.333 -8.769 367 HH12 ARG 33 HH12 ARG 33 1.274 19.819 -9.665 368 HH21 ARG 33 HH21 ARG 33 2.046 21.850 -6.912 369 HH22 ARG 33 HH22 ARG 33 1.681 21.821 -8.612 370 H GLN 34 H GLN 34 -2.123 19.237 -2.828 371 HA GLN 34 HA GLN 34 -0.856 19.650 -0.301 372 HB2 GLN 34 HB3 GLN 34 -3.471 20.694 -1.398 373 HB3 GLN 34 HB2 GLN 34 -2.756 21.208 0.127 374 HG2 GLN 34 HG3 GLN 34 -1.735 21.658 -2.654 375 HG3 GLN 34 HG2 GLN 34 -2.172 22.854 -1.435 376 HE21 GLN 34 HE21 GLN 34 -0.766 23.200 0.317 377 HE22 GLN 34 HE22 GLN 34 0.900 22.742 0.233 378 H VAL 35 H VAL 35 -3.524 17.741 -1.443 379 HA VAL 35 HA VAL 35 -4.490 17.121 1.198 380 HB VAL 35 HB VAL 35 -5.091 15.861 -1.488 381 HG11 VAL 35 HG11 VAL 35 -7.021 14.866 -0.460 382 HG12 VAL 35 HG12 VAL 35 -6.635 15.631 1.081 383 HG13 VAL 35 HG13 VAL 35 -5.575 14.382 0.427 384 HG21 VAL 35 HG21 VAL 35 -6.603 17.941 0.080 385 HG22 VAL 35 HG22 VAL 35 -7.165 17.168 -1.402 386 HG23 VAL 35 HG23 VAL 35 -5.734 18.196 -1.434 387 H ILE 36 H ILE 36 -3.179 15.142 -1.434 388 HA ILE 36 HA ILE 36 -2.800 12.760 -0.176 389 HB ILE 36 HB ILE 36 -0.930 13.857 -2.254 390 HG12 ILE 36 HG13 ILE 36 -3.631 12.516 -2.589 391 HG13 ILE 36 HG12 ILE 36 -3.334 14.232 -2.829 392 HG21 ILE 36 HG21 ILE 36 -0.809 11.514 -2.911 393 HG22 ILE 36 HG22 ILE 36 -1.925 11.086 -1.609 394 HG23 ILE 36 HG23 ILE 36 -0.319 11.714 -1.229 395 HD11 ILE 36 HD11 ILE 36 -2.205 11.966 -4.451 396 HD12 ILE 36 HD12 ILE 36 -1.790 13.669 -4.664 397 HD13 ILE 36 HD13 ILE 36 -3.445 13.125 -4.949 398 H LYS 37 H LYS 37 -0.486 15.488 -0.121 399 HA LYS 37 HA LYS 37 1.558 13.910 1.122 400 HB2 LYS 37 HB3 LYS 37 1.289 16.892 0.760 401 HB3 LYS 37 HB2 LYS 37 2.686 16.127 1.504 402 HG2 LYS 37 HG3 LYS 37 3.021 14.844 -0.600 403 HG3 LYS 37 HG2 LYS 37 1.720 15.789 -1.325 404 HD2 LYS 37 HD3 LYS 37 4.277 16.910 -0.178 405 HD3 LYS 37 HD2 LYS 37 3.937 16.683 -1.892 406 HE2 LYS 37 HE3 LYS 37 2.025 18.235 -1.679 407 HE3 LYS 37 HE2 LYS 37 2.463 18.503 0.009 408 HZ1 LYS 37 HZ1 LYS 37 3.305 20.235 -1.489 409 HZ2 LYS 37 HZ2 LYS 37 4.233 19.078 -2.309 410 HZ3 LYS 37 HZ3 LYS 37 4.552 19.428 -0.681 411 H LEU 38 H LEU 38 -1.158 15.661 2.327 412 HA LEU 38 HA LEU 38 0.059 15.823 4.999 413 HB2 LEU 38 HB3 LEU 38 -2.220 17.316 3.732 414 HB3 LEU 38 HB2 LEU 38 -2.002 17.289 5.469 415 HG LEU 38 HG LEU 38 -1.081 19.328 4.622 416 HD11 LEU 38 HD11 LEU 38 1.173 17.437 5.264 417 HD12 LEU 38 HD12 LEU 38 0.145 18.249 6.443 418 HD13 LEU 38 HD13 LEU 38 1.208 19.194 5.400 419 HD21 LEU 38 HD21 LEU 38 0.678 19.422 2.962 420 HD22 LEU 38 HD22 LEU 38 -0.745 18.614 2.298 421 HD23 LEU 38 HD23 LEU 38 0.654 17.665 2.804 422 H ALA 39 H ALA 39 -1.699 13.702 3.347 423 HA ALA 39 HA ALA 39 -3.691 13.145 5.378 424 HB1 ALA 39 HB1 ALA 39 -4.462 11.399 3.857 425 HB2 ALA 39 HB2 ALA 39 -3.086 11.707 2.796 426 HB3 ALA 39 HB3 ALA 39 -4.319 12.948 3.024 427 H GLY 40 H GLY 40 -3.219 11.950 7.072 428 HA2 GLY 40 HA3 GLY 40 -0.899 10.285 7.240 429 HA3 GLY 40 HA2 GLY 40 -2.193 10.395 8.429 430 H VAL 41 H VAL 41 -0.797 8.032 7.257 431 HA VAL 41 HA VAL 41 -3.150 6.697 6.105 432 HB VAL 41 HB VAL 41 -0.307 6.258 5.188 433 HG11 VAL 41 HG11 VAL 41 -1.632 4.248 5.015 434 HG12 VAL 41 HG12 VAL 41 -1.353 4.914 3.407 435 HG13 VAL 41 HG13 VAL 41 -2.917 5.129 4.191 436 HG21 VAL 41 HG21 VAL 41 -1.099 8.419 4.432 437 HG22 VAL 41 HG22 VAL 41 -2.574 7.683 3.807 438 HG23 VAL 41 HG23 VAL 41 -1.017 7.291 3.080 439 H THR 42 H THR 42 -3.676 4.837 7.001 440 HA THR 42 HA THR 42 -1.705 3.467 8.704 441 HB THR 42 HB THR 42 -4.727 3.429 8.825 442 HG1 THR 42 HG1 THR 42 -3.542 4.189 11.107 443 HG21 THR 42 HG21 THR 42 -2.711 2.020 10.580 444 HG22 THR 42 HG22 THR 42 -3.795 1.247 9.424 445 HG23 THR 42 HG23 THR 42 -4.456 2.062 10.842 446 H LYS 43 H LYS 43 -0.854 1.742 7.722 447 HA LYS 43 HA LYS 43 -2.344 0.275 5.696 448 HB2 LYS 43 HB3 LYS 43 0.414 -0.240 6.838 449 HB3 LYS 43 HB2 LYS 43 -0.278 -1.020 5.425 450 HG2 LYS 43 HG3 LYS 43 0.281 1.929 5.640 451 HG3 LYS 43 HG2 LYS 43 1.360 0.753 4.890 452 HD2 LYS 43 HD3 LYS 43 -0.299 0.226 3.222 453 HD3 LYS 43 HD2 LYS 43 -1.486 1.259 4.023 454 HE2 LYS 43 HE3 LYS 43 -0.049 3.201 3.596 455 HE3 LYS 43 HE2 LYS 43 1.099 2.158 2.761 456 HZ1 LYS 43 HZ1 LYS 43 -0.404 1.792 1.028 457 HZ2 LYS 43 HZ2 LYS 43 -0.543 3.454 1.351 458 HZ3 LYS 43 HZ3 LYS 43 -1.722 2.370 1.911 459 H LYS 44 H LYS 44 -3.262 -1.727 6.004 460 HA LYS 44 HA LYS 44 -2.787 -3.061 8.580 461 HB2 LYS 44 HB3 LYS 44 -5.498 -2.403 7.415 462 HB3 LYS 44 HB2 LYS 44 -5.241 -3.527 8.742 463 HG2 LYS 44 HG3 LYS 44 -4.273 -1.714 10.079 464 HG3 LYS 44 HG2 LYS 44 -4.569 -0.592 8.750 465 HD2 LYS 44 HD3 LYS 44 -6.309 -0.425 10.456 466 HD3 LYS 44 HD2 LYS 44 -6.967 -1.004 8.926 467 HE2 LYS 44 HE3 LYS 44 -7.879 -2.245 10.825 468 HE3 LYS 44 HE2 LYS 44 -6.946 -3.288 9.757 469 HZ1 LYS 44 HZ1 LYS 44 -5.948 -2.125 12.298 470 HZ2 LYS 44 HZ2 LYS 44 -5.108 -3.195 11.295 471 HZ3 LYS 44 HZ3 LYS 44 -6.498 -3.710 12.104 472 H PHE 45 H PHE 45 -1.818 -4.839 7.867 473 HA PHE 45 HA PHE 45 -3.107 -6.426 5.739 474 HB2 PHE 45 HB3 PHE 45 -0.283 -6.454 6.810 475 HB3 PHE 45 HB2 PHE 45 -0.920 -7.728 5.786 476 HD1 PHE 45 HD1 PHE 45 0.176 -4.243 5.928 477 HD2 PHE 45 HD2 PHE 45 -1.296 -7.376 3.439 478 HE1 PHE 45 HE1 PHE 45 0.850 -2.974 3.929 479 HE2 PHE 45 HE2 PHE 45 -0.628 -6.108 1.444 480 HZ PHE 45 HZ PHE 45 0.448 -3.909 1.686 481 H ARG 46 H ARG 46 -4.325 -8.067 6.451 482 HA ARG 46 HA ARG 46 -3.403 -9.619 8.744 483 HB2 ARG 46 HB3 ARG 46 -5.643 -9.534 9.814 484 HB3 ARG 46 HB2 ARG 46 -4.815 -7.984 9.817 485 HG2 ARG 46 HG3 ARG 46 -6.178 -7.198 7.996 486 HG3 ARG 46 HG2 ARG 46 -6.934 -8.783 7.835 487 HD2 ARG 46 HD3 ARG 46 -7.096 -7.032 10.283 488 HD3 ARG 46 HD2 ARG 46 -8.342 -7.144 9.042 489 HE ARG 46 HE ARG 46 -7.523 -9.367 10.804 490 HH11 ARG 46 HH11 ARG 46 -9.933 -7.719 8.862 491 HH12 ARG 46 HH12 ARG 46 -11.206 -8.817 9.288 492 HH21 ARG 46 HH21 ARG 46 -9.207 -10.809 11.364 493 HH22 ARG 46 HH22 ARG 46 -10.788 -10.589 10.683 494 H ASN 47 H ASN 47 -4.702 -11.568 9.056 495 HA ASN 47 HA ASN 47 -5.182 -13.107 6.778 496 HB2 ASN 47 HB3 ASN 47 -6.349 -13.322 9.558 497 HB3 ASN 47 HB2 ASN 47 -6.608 -14.542 8.314 498 HD21 ASN 47 HD21 ASN 47 -4.368 -13.140 10.538 499 HD22 ASN 47 HD22 ASN 47 -3.117 -14.319 10.351 500 H ALA 48 H ALA 48 -7.203 -13.751 5.697 501 HA ALA 48 HA ALA 48 -8.646 -11.434 4.985 502 HB1 ALA 48 HB1 ALA 48 -8.193 -13.465 3.554 503 HB2 ALA 48 HB2 ALA 48 -9.825 -12.793 3.481 504 HB3 ALA 48 HB3 ALA 48 -9.516 -14.244 4.434 505 H ALA 49 H ALA 49 -9.872 -10.510 6.522 506 HA ALA 49 HA ALA 49 -11.797 -10.027 7.608 507 HB1 ALA 49 HB1 ALA 49 -12.653 -10.632 5.377 508 HB2 ALA 49 HB2 ALA 49 -13.820 -10.905 6.673 509 HB3 ALA 49 HB3 ALA 49 -12.948 -12.267 5.968 510 H SER 50 H SER 50 -12.166 -13.541 7.294 511 HA SER 50 HA SER 50 -13.246 -13.698 9.981 512 HB2 SER 50 HB3 SER 50 -12.681 -15.867 7.942 513 HB3 SER 50 HB2 SER 50 -13.621 -16.063 9.418 514 HG SER 50 HG SER 50 -15.264 -15.036 8.537 515 H GLY 51 H GLY 51 -10.270 -14.233 8.336 516 HA2 GLY 51 HA3 GLY 51 -8.247 -14.201 9.755 517 HA3 GLY 51 HA2 GLY 51 -9.098 -15.297 10.837 518 H LYS 52 H LYS 52 -9.132 -15.449 7.343 519 HA LYS 52 HA LYS 52 -8.335 -18.225 7.467 520 HB2 LYS 52 HB3 LYS 52 -10.336 -17.537 6.214 521 HB3 LYS 52 HB2 LYS 52 -9.351 -16.477 5.215 522 HG2 LYS 52 HG3 LYS 52 -8.166 -18.383 4.322 523 HG3 LYS 52 HG2 LYS 52 -9.108 -19.463 5.348 524 HD2 LYS 52 HD3 LYS 52 -11.157 -18.734 4.225 525 HD3 LYS 52 HD2 LYS 52 -10.201 -17.669 3.191 526 HE2 LYS 52 HE3 LYS 52 -9.042 -19.561 2.247 527 HE3 LYS 52 HE2 LYS 52 -9.871 -20.659 3.349 528 HZ1 LYS 52 HZ1 LYS 52 -11.971 -20.044 2.298 529 HZ2 LYS 52 HZ2 LYS 52 -10.890 -20.685 1.167 530 HZ3 LYS 52 HZ3 LYS 52 -11.155 -19.017 1.228 531 HA PRO 53 HA PRO 53 -4.293 -17.182 5.861 532 HB2 PRO 53 HB3 PRO 53 -3.309 -19.638 5.555 533 HB3 PRO 53 HB2 PRO 53 -3.670 -18.997 7.162 534 HG2 PRO 53 HG3 PRO 53 -5.197 -20.948 5.511 535 HG3 PRO 53 HG2 PRO 53 -4.975 -20.894 7.267 536 HD2 PRO 53 HD3 PRO 53 -7.213 -19.967 5.843 537 HD3 PRO 53 HD2 PRO 53 -6.826 -19.612 7.539 538 H ASP 54 H ASP 54 -2.947 -17.517 3.984 539 HA ASP 54 HA ASP 54 -2.425 -17.814 1.774 540 HB2 ASP 54 HB3 ASP 54 -4.848 -19.620 1.650 541 HB3 ASP 54 HB2 ASP 54 -3.611 -19.473 0.411 542 H ARG 55 H ARG 55 -5.124 -16.430 2.925 543 HA ARG 55 HA ARG 55 -5.319 -14.673 0.659 544 HB2 ARG 55 HB3 ARG 55 -7.398 -16.586 1.268 545 HB3 ARG 55 HB2 ARG 55 -7.989 -14.943 1.490 546 HG2 ARG 55 HG3 ARG 55 -7.269 -14.374 -0.768 547 HG3 ARG 55 HG2 ARG 55 -6.676 -16.021 -0.993 548 HD2 ARG 55 HD3 ARG 55 -8.911 -16.885 -0.681 549 HD3 ARG 55 HD2 ARG 55 -9.525 -15.257 -0.407 550 HE ARG 55 HE ARG 55 -8.270 -15.222 -2.881 551 HH11 ARG 55 HH11 ARG 55 -10.982 -16.845 -1.393 552 HH12 ARG 55 HH12 ARG 55 -11.883 -16.978 -2.870 553 HH21 ARG 55 HH21 ARG 55 -9.419 -15.415 -4.839 554 HH22 ARG 55 HH22 ARG 55 -10.991 -16.165 -4.838 555 H TYR 56 H TYR 56 -5.592 -12.599 1.354 556 HA TYR 56 HA TYR 56 -5.910 -12.301 4.257 557 HB2 TYR 56 HB3 TYR 56 -3.658 -11.275 2.535 558 HB3 TYR 56 HB2 TYR 56 -3.998 -10.627 4.138 559 HD1 TYR 56 HD1 TYR 56 -2.924 -13.648 2.290 560 HD2 TYR 56 HD2 TYR 56 -3.415 -11.838 6.107 561 HE1 TYR 56 HE1 TYR 56 -1.616 -15.463 3.314 562 HE2 TYR 56 HE2 TYR 56 -2.104 -13.641 7.138 563 HH TYR 56 HH TYR 56 -0.132 -15.632 5.546 564 H ASP 57 H ASP 57 -5.820 -9.870 4.791 565 HA ASP 57 HA ASP 57 -7.648 -8.434 2.983 566 HB2 ASP 57 HB3 ASP 57 -8.837 -9.395 4.935 567 HB3 ASP 57 HB2 ASP 57 -7.725 -8.563 6.013 568 H MET 58 H MET 58 -7.223 -6.255 2.738 569 HA MET 58 HA MET 58 -4.995 -5.122 4.264 570 HB2 MET 58 HB3 MET 58 -3.811 -5.938 2.399 571 HB3 MET 58 HB2 MET 58 -5.083 -5.477 1.279 572 HG2 MET 58 HG3 MET 58 -3.102 -4.051 1.104 573 HG3 MET 58 HG2 MET 58 -4.548 -3.150 1.551 574 HE1 MET 58 HE1 MET 58 -3.126 -1.056 2.358 575 HE2 MET 58 HE2 MET 58 -1.741 -1.961 1.726 576 HE3 MET 58 HE3 MET 58 -1.659 -1.234 3.335 577 H GLU 59 H GLU 59 -5.335 -3.074 4.810 578 HA GLU 59 HA GLU 59 -7.406 -1.589 3.370 579 HB2 GLU 59 HB3 GLU 59 -8.445 -2.626 5.335 580 HB3 GLU 59 HB2 GLU 59 -7.226 -1.903 6.373 581 HG2 GLU 59 HG3 GLU 59 -8.073 0.282 5.979 582 HG3 GLU 59 HG2 GLU 59 -9.147 -0.302 4.707 583 H ASN 60 H ASN 60 -7.181 0.594 3.291 584 HA ASN 60 HA ASN 60 -4.732 1.729 4.479 585 HB2 ASN 60 HB3 ASN 60 -5.925 2.472 1.792 586 HB3 ASN 60 HB2 ASN 60 -4.503 3.196 2.528 587 HD21 ASN 60 HD21 ASN 60 -5.777 0.508 0.794 588 HD22 ASN 60 HD22 ASN 60 -4.258 -0.266 0.474 589 H LEU 61 H LEU 61 -5.873 2.570 6.223 590 HA LEU 61 HA LEU 61 -8.150 4.295 5.701 591 HB2 LEU 61 HB3 LEU 61 -8.209 2.778 7.626 592 HB3 LEU 61 HB2 LEU 61 -6.769 3.533 8.278 593 HG LEU 61 HG LEU 61 -8.024 5.655 8.502 594 HD11 LEU 61 HD11 LEU 61 -10.469 5.604 8.335 595 HD12 LEU 61 HD12 LEU 61 -10.386 3.957 7.709 596 HD13 LEU 61 HD13 LEU 61 -9.700 5.288 6.778 597 HD21 LEU 61 HD21 LEU 61 -9.338 4.954 10.440 598 HD22 LEU 61 HD22 LEU 61 -7.778 4.135 10.392 599 HD23 LEU 61 HD23 LEU 61 -9.239 3.279 9.902 600 H THR 62 H THR 62 -7.950 6.450 5.435 601 HA THR 62 HA THR 62 -5.485 7.720 6.365 602 HB THR 62 HB THR 62 -5.287 9.006 4.328 603 HG1 THR 62 HG1 THR 62 -6.810 8.178 2.546 604 HG21 THR 62 HG21 THR 62 -5.727 6.103 3.621 605 HG22 THR 62 HG22 THR 62 -4.262 6.764 4.343 606 HG23 THR 62 HG23 THR 62 -4.748 7.262 2.724 607 H THR 63 H THR 63 -5.984 10.295 5.717 608 HA THR 63 HA THR 63 -8.051 10.934 7.606 609 HB THR 63 HB THR 63 -7.220 13.192 7.455 610 HG1 THR 63 HG1 THR 63 -5.973 13.885 5.789 611 HG21 THR 63 HG21 THR 63 -5.821 11.754 8.751 612 HG22 THR 63 HG22 THR 63 -4.751 12.763 7.772 613 HG23 THR 63 HG23 THR 63 -5.069 11.088 7.302 614 H LYS 64 H LYS 64 -7.722 10.812 4.182 615 HA LYS 64 HA LYS 64 -10.189 12.380 3.832 616 HB2 LYS 64 HB3 LYS 64 -7.916 11.900 1.900 617 HB3 LYS 64 HB2 LYS 64 -9.373 12.807 1.530 618 HG2 LYS 64 HG3 LYS 64 -7.425 13.551 3.700 619 HG3 LYS 64 HG2 LYS 64 -7.388 14.201 2.063 620 HD2 LYS 64 HD3 LYS 64 -9.691 14.448 3.996 621 HD3 LYS 64 HD2 LYS 64 -8.517 15.714 3.639 622 HE2 LYS 64 HE3 LYS 64 -9.236 15.710 1.294 623 HE3 LYS 64 HE2 LYS 64 -10.418 14.456 1.660 624 HZ1 LYS 64 HZ1 LYS 64 -10.382 17.198 2.799 625 HZ2 LYS 64 HZ2 LYS 64 -11.505 15.994 3.188 626 HZ3 LYS 64 HZ3 LYS 64 -11.452 16.623 1.621 627 H LYS 65 H LYS 65 -8.739 9.288 3.392 628 HA LYS 65 HA LYS 65 -10.922 8.497 1.591 629 HB2 LYS 65 HB3 LYS 65 -7.980 7.970 1.242 630 HB3 LYS 65 HB2 LYS 65 -9.217 7.083 0.373 631 HG2 LYS 65 HG3 LYS 65 -8.735 10.041 0.235 632 HG3 LYS 65 HG2 LYS 65 -8.313 8.846 -0.990 633 HD2 LYS 65 HD3 LYS 65 -11.092 9.570 -0.063 634 HD3 LYS 65 HD2 LYS 65 -10.356 9.977 -1.606 635 HE2 LYS 65 HE3 LYS 65 -10.213 7.601 -2.171 636 HE3 LYS 65 HE2 LYS 65 -10.967 7.196 -0.627 637 HZ1 LYS 65 HZ1 LYS 65 -12.202 8.766 -2.825 638 HZ2 LYS 65 HZ2 LYS 65 -12.924 8.458 -1.325 639 HZ3 LYS 65 HZ3 LYS 65 -12.598 7.180 -2.379 640 H ASP 66 H ASP 66 -9.674 5.925 1.219 641 HA ASP 66 HA ASP 66 -9.540 4.305 3.402 642 HB2 ASP 66 HB3 ASP 66 -11.686 5.238 4.169 643 HB3 ASP 66 HB2 ASP 66 -12.437 4.795 2.639 644 H THR 67 H THR 67 -9.373 2.195 2.735 645 HA THR 67 HA THR 67 -10.693 1.272 0.330 646 HB THR 67 HB THR 67 -8.479 0.184 -0.434 647 HG1 THR 67 HG1 THR 67 -7.569 2.191 1.322 648 HG21 THR 67 HG21 THR 67 -9.620 1.835 -1.786 649 HG22 THR 67 HG22 THR 67 -7.880 2.115 -1.837 650 HG23 THR 67 HG23 THR 67 -8.910 3.139 -0.837 651 H HIS 68 H HIS 68 -11.110 -0.935 0.491 652 HA HIS 68 HA HIS 68 -9.866 -2.285 2.771 653 HB2 HIS 68 HB3 HIS 68 -12.182 -1.346 3.308 654 HB3 HIS 68 HB2 HIS 68 -12.809 -2.536 2.176 655 HD1 HIS 68 HD1 HIS 68 -13.763 -2.782 5.000 656 HD2 HIS 68 HD2 HIS 68 -10.285 -4.617 3.652 657 HE1 HIS 68 HE1 HIS 68 -13.337 -4.688 6.589 658 HE2 HIS 68 HE2 HIS 68 -11.301 -5.854 5.672 659 H HIS 69 H HIS 69 -8.597 -3.327 1.224 660 HA HIS 69 HA HIS 69 -9.734 -4.915 -0.872 661 HB2 HIS 69 HB3 HIS 69 -7.002 -5.218 0.388 662 HB3 HIS 69 HB2 HIS 69 -7.501 -5.775 -1.199 663 HD1 HIS 69 HD1 HIS 69 -8.809 -3.052 -2.159 664 HD2 HIS 69 HD2 HIS 69 -5.068 -3.477 -0.383 665 HE1 HIS 69 HE1 HIS 69 -7.456 -1.067 -2.920 666 HE2 HIS 69 HE2 HIS 69 -5.119 -1.527 -2.075 667 H LYS 70 H LYS 70 -11.316 -6.166 0.234 668 HA LYS 70 HA LYS 70 -10.441 -7.852 2.415 669 HB2 LYS 70 HB3 LYS 70 -12.909 -8.516 2.358 670 HB3 LYS 70 HB2 LYS 70 -12.517 -6.864 2.809 671 HG2 LYS 70 HG3 LYS 70 -13.008 -6.153 0.501 672 HG3 LYS 70 HG2 LYS 70 -13.496 -7.808 0.121 673 HD2 LYS 70 HD3 LYS 70 -15.493 -6.659 0.601 674 HD3 LYS 70 HD2 LYS 70 -15.114 -7.591 2.047 675 HE2 LYS 70 HE3 LYS 70 -14.082 -5.580 3.040 676 HE3 LYS 70 HE2 LYS 70 -14.580 -4.660 1.624 677 HZ1 LYS 70 HZ1 LYS 70 -16.139 -4.356 3.421 678 HZ2 LYS 70 HZ2 LYS 70 -16.390 -6.022 3.543 679 HZ3 LYS 70 HZ3 LYS 70 -16.892 -5.194 2.159 680 H ASP 71 H ASP 71 -9.687 -9.773 2.151 681 HA ASP 71 HA ASP 71 -9.445 -11.942 1.527 682 HB2 ASP 71 HB3 ASP 71 -11.913 -12.007 1.699 683 HB3 ASP 71 HB2 ASP 71 -12.030 -11.528 0.012 684 H TRP 72 H TRP 72 -7.611 -10.973 0.354 685 HA TRP 72 HA TRP 72 -7.840 -11.629 -2.512 686 HB2 TRP 72 HB3 TRP 72 -6.065 -9.942 -2.947 687 HB3 TRP 72 HB2 TRP 72 -7.547 -9.220 -2.328 688 HD1 TRP 72 HD1 TRP 72 -7.422 -7.936 -0.066 689 HE1 TRP 72 HE1 TRP 72 -5.505 -7.255 1.500 690 HE3 TRP 72 HE3 TRP 72 -3.659 -10.796 -2.044 691 HZ2 TRP 72 HZ2 TRP 72 -2.764 -7.848 1.832 692 HZ3 TRP 72 HZ3 TRP 72 -1.429 -10.641 -0.995 693 HH2 TRP 72 HH2 TRP 72 -1.006 -9.205 0.880 694 H ALA 73 H ALA 73 -5.922 -12.524 -3.460 695 HA ALA 73 HA ALA 73 -3.859 -13.354 -1.528 696 HB1 ALA 73 HB1 ALA 73 -3.589 -15.421 -2.856 697 HB2 ALA 73 HB2 ALA 73 -4.972 -14.942 -3.842 698 HB3 ALA 73 HB3 ALA 73 -5.187 -15.290 -2.125 699 H LEU 74 H LEU 74 -1.708 -13.431 -2.387 700 HA LEU 74 HA LEU 74 -1.119 -11.627 -4.448 701 HB2 LEU 74 HB3 LEU 74 1.168 -12.897 -4.462 702 HB3 LEU 74 HB2 LEU 74 0.728 -11.853 -3.133 703 HG LEU 74 HG LEU 74 1.850 -14.110 -2.624 704 HD11 LEU 74 HD11 LEU 74 0.589 -14.375 -0.551 705 HD12 LEU 74 HD12 LEU 74 -0.692 -13.350 -1.194 706 HD13 LEU 74 HD13 LEU 74 0.908 -12.676 -0.905 707 HD21 LEU 74 HD21 LEU 74 0.255 -15.974 -2.321 708 HD22 LEU 74 HD22 LEU 74 0.522 -15.539 -4.011 709 HD23 LEU 74 HD23 LEU 74 -0.954 -15.027 -3.192 710 H GLY 75 H GLY 75 -0.324 -11.991 -6.523 711 HA2 GLY 75 HA3 GLY 75 -0.481 -12.905 -8.639 712 HA3 GLY 75 HA2 GLY 75 -0.732 -14.474 -7.884 713 H GLU 76 H GLU 76 -2.900 -12.250 -6.624 714 HA GLU 76 HA GLU 76 -4.983 -13.182 -8.477 715 HB2 GLU 76 HB3 GLU 76 -5.074 -14.101 -6.155 716 HB3 GLU 76 HB2 GLU 76 -5.311 -12.465 -5.564 717 HG2 GLU 76 HG3 GLU 76 -7.426 -12.304 -6.620 718 HG3 GLU 76 HG2 GLU 76 -7.159 -13.799 -7.516 719 H GLU 77 H GLU 77 -6.722 -11.776 -8.900 720 HA GLU 77 HA GLU 77 -6.066 -8.900 -8.692 721 HB2 GLU 77 HB3 GLU 77 -5.268 -9.742 -10.846 722 HB3 GLU 77 HB2 GLU 77 -6.824 -10.483 -11.169 723 HG2 GLU 77 HG3 GLU 77 -7.807 -8.168 -11.125 724 HG3 GLU 77 HG2 GLU 77 -6.152 -7.561 -11.101 725 H PHE 78 H PHE 78 -7.817 -7.780 -7.992 726 HA PHE 78 HA PHE 78 -10.489 -8.938 -8.414 727 HB2 PHE 78 HB3 PHE 78 -11.065 -8.459 -6.073 728 HB3 PHE 78 HB2 PHE 78 -9.727 -9.594 -6.183 729 HD1 PHE 78 HD1 PHE 78 -7.428 -8.839 -5.680 730 HD2 PHE 78 HD2 PHE 78 -10.821 -6.356 -5.022 731 HE1 PHE 78 HE1 PHE 78 -6.087 -7.401 -4.206 732 HE2 PHE 78 HE2 PHE 78 -9.482 -4.919 -3.546 733 HZ PHE 78 HZ PHE 78 -7.123 -5.444 -3.127 734 H GLN 79 H GLN 79 -12.247 -7.433 -8.060 735 HA GLN 79 HA GLN 79 -11.657 -4.744 -8.965 736 HB2 GLN 79 HB3 GLN 79 -13.569 -5.986 -9.888 737 HB3 GLN 79 HB2 GLN 79 -14.271 -6.115 -8.286 738 HG2 GLN 79 HG3 GLN 79 -14.431 -3.628 -8.232 739 HG3 GLN 79 HG2 GLN 79 -13.904 -3.614 -9.919 740 HE21 GLN 79 HE21 GLN 79 -15.853 -2.705 -10.608 741 HE22 GLN 79 HE22 GLN 79 -17.318 -3.620 -10.678 742 H ASP 80 H ASP 80 -11.842 -2.887 -7.723 743 HA ASP 80 HA ASP 80 -12.502 -3.205 -4.889 744 HB2 ASP 80 HB3 ASP 80 -10.088 -3.783 -5.196 745 HB3 ASP 80 HB2 ASP 80 -9.823 -2.159 -5.816 746 H GLU 81 H GLU 81 -12.733 -1.194 -3.750 747 HA GLU 81 HA GLU 81 -13.397 1.053 -5.489 748 HB2 GLU 81 HB3 GLU 81 -15.055 0.286 -3.778 749 HB3 GLU 81 HB2 GLU 81 -13.897 0.706 -2.523 750 HG2 GLU 81 HG3 GLU 81 -14.032 3.001 -3.038 751 HG3 GLU 81 HG2 GLU 81 -14.909 2.688 -4.533 752 H ALA 82 H ALA 82 -11.479 1.886 -5.987 753 HA ALA 82 HA ALA 82 -9.209 1.602 -4.360 754 HB1 ALA 82 HB1 ALA 82 -8.056 2.796 -6.116 755 HB2 ALA 82 HB2 ALA 82 -9.607 3.260 -6.823 756 HB3 ALA 82 HB3 ALA 82 -9.134 1.562 -6.767 757 H LEU 83 H LEU 83 -7.676 3.343 -4.016 758 HA LEU 83 HA LEU 83 -8.742 5.098 -2.057 759 HB2 LEU 83 HB3 LEU 83 -6.469 3.832 -2.192 760 HB3 LEU 83 HB2 LEU 83 -5.943 5.215 -3.129 761 HG LEU 83 HG LEU 83 -6.455 6.685 -1.204 762 HD11 LEU 83 HD11 LEU 83 -8.188 5.317 -0.152 763 HD12 LEU 83 HD12 LEU 83 -6.886 5.675 0.982 764 HD13 LEU 83 HD13 LEU 83 -6.988 4.083 0.228 765 HD21 LEU 83 HD21 LEU 83 -4.584 5.915 0.193 766 HD22 LEU 83 HD22 LEU 83 -4.205 5.851 -1.527 767 HD23 LEU 83 HD23 LEU 83 -4.604 4.370 -0.655 768 H ASP 84 H ASP 84 -7.660 5.415 -5.344 769 HA ASP 84 HA ASP 84 -7.727 8.291 -5.313 770 HB2 ASP 84 HB3 ASP 84 -7.222 8.146 -7.702 771 HB3 ASP 84 HB2 ASP 84 -6.141 7.131 -6.760 772 H SER 85 H SER 85 -10.172 6.716 -4.663 773 HA SER 85 HA SER 85 -12.389 7.151 -4.722 774 HB2 SER 85 HB3 SER 85 -11.505 9.590 -6.276 775 HB3 SER 85 HB2 SER 85 -13.132 9.339 -5.640 776 HG SER 85 HG SER 85 -11.562 10.596 -4.314 777 H THR 86 H THR 86 -11.275 5.443 -6.730 778 HA THR 86 HA THR 86 -13.357 5.736 -8.780 779 HB THR 86 HB THR 86 -11.718 4.679 -10.391 780 HG1 THR 86 HG1 THR 86 -9.513 5.659 -9.135 781 HG21 THR 86 HG21 THR 86 -11.064 7.425 -9.326 782 HG22 THR 86 HG22 THR 86 -12.283 7.036 -10.540 783 HG23 THR 86 HG23 THR 86 -10.573 6.796 -10.899 784 H GLN 87 H GLN 87 -13.511 3.553 -10.043 785 HA GLN 87 HA GLN 87 -13.346 1.350 -8.092 786 HB2 GLN 87 HB3 GLN 87 -15.373 1.568 -10.315 787 HB3 GLN 87 HB2 GLN 87 -15.395 0.481 -8.936 788 HG2 GLN 87 HG3 GLN 87 -15.672 3.461 -8.753 789 HG3 GLN 87 HG2 GLN 87 -17.029 2.337 -8.818 790 HE21 GLN 87 HE21 GLN 87 -15.704 0.333 -7.186 791 HE22 GLN 87 HE22 GLN 87 -15.720 0.940 -5.570 792 H HIS 88 H HIS 88 -11.601 0.190 -8.802 793 HA HIS 88 HA HIS 88 -11.640 -0.704 -11.550 794 HB2 HIS 88 HB3 HIS 88 -9.282 -0.070 -11.986 795 HB3 HIS 88 HB2 HIS 88 -10.397 1.282 -11.912 796 HD1 HIS 88 HD1 HIS 88 -7.944 -0.457 -9.554 797 HD2 HIS 88 HD2 HIS 88 -9.468 3.298 -10.454 798 HE1 HIS 88 HE1 HIS 88 -6.690 1.152 -8.085 799 HE2 HIS 88 HE2 HIS 88 -7.718 3.411 -8.550 800 H LYS 89 H LYS 89 -9.461 -2.066 -11.914 801 HA LYS 89 HA LYS 89 -9.781 -4.088 -9.873 802 HB2 LYS 89 HB3 LYS 89 -8.790 -5.606 -11.396 803 HB3 LYS 89 HB2 LYS 89 -9.840 -4.568 -12.355 804 HG2 LYS 89 HG3 LYS 89 -7.969 -3.331 -13.178 805 HG3 LYS 89 HG2 LYS 89 -6.869 -4.183 -12.092 806 HD2 LYS 89 HD3 LYS 89 -7.521 -6.306 -13.230 807 HD3 LYS 89 HD2 LYS 89 -8.418 -5.339 -14.401 808 HE2 LYS 89 HE3 LYS 89 -6.415 -4.236 -15.110 809 HE3 LYS 89 HE2 LYS 89 -5.481 -5.008 -13.829 810 HZ1 LYS 89 HZ1 LYS 89 -5.153 -6.090 -15.975 811 HZ2 LYS 89 HZ2 LYS 89 -6.808 -6.430 -16.075 812 HZ3 LYS 89 HZ3 LYS 89 -5.869 -7.146 -14.857 813 H ILE 90 H ILE 90 -8.043 -5.136 -8.877 814 HA ILE 90 HA ILE 90 -5.515 -3.682 -8.761 815 HB ILE 90 HB ILE 90 -7.353 -4.224 -6.443 816 HG12 ILE 90 HG13 ILE 90 -5.819 -1.771 -7.329 817 HG13 ILE 90 HG12 ILE 90 -7.525 -2.066 -7.629 818 HG21 ILE 90 HG21 ILE 90 -5.548 -3.729 -4.914 819 HG22 ILE 90 HG22 ILE 90 -4.421 -3.564 -6.263 820 HG23 ILE 90 HG23 ILE 90 -5.147 -5.140 -5.903 821 HD11 ILE 90 HD11 ILE 90 -7.933 -2.051 -5.222 822 HD12 ILE 90 HD12 ILE 90 -7.236 -0.537 -5.799 823 HD13 ILE 90 HD13 ILE 90 -6.228 -1.706 -4.946 824 H THR 91 H THR 91 -3.783 -4.976 -8.469 825 HA THR 91 HA THR 91 -4.298 -7.838 -7.980 826 HB THR 91 HB THR 91 -2.135 -6.738 -9.772 827 HG1 THR 91 HG1 THR 91 -4.801 -7.029 -10.227 828 HG21 THR 91 HG21 THR 91 -1.712 -8.982 -8.913 829 HG22 THR 91 HG22 THR 91 -2.067 -9.037 -10.639 830 HG23 THR 91 HG23 THR 91 -3.300 -9.504 -9.469 831 H PHE 92 H PHE 92 -2.932 -8.861 -6.600 832 HA PHE 92 HA PHE 92 -0.693 -7.292 -5.485 833 HB2 PHE 92 HB3 PHE 92 -2.458 -9.380 -4.211 834 HB3 PHE 92 HB2 PHE 92 -0.865 -9.009 -3.562 835 HD1 PHE 92 HD1 PHE 92 -4.201 -7.615 -4.266 836 HD2 PHE 92 HD2 PHE 92 -0.500 -7.082 -2.239 837 HE1 PHE 92 HE1 PHE 92 -5.178 -5.770 -2.965 838 HE2 PHE 92 HE2 PHE 92 -1.473 -5.228 -0.934 839 HZ PHE 92 HZ PHE 92 -3.815 -4.580 -1.303 840 H ASP 93 H ASP 93 1.305 -8.383 -5.250 841 HA ASP 93 HA ASP 93 1.497 -11.139 -6.110 842 HB2 ASP 93 HB3 ASP 93 1.525 -9.993 -8.265 843 HB3 ASP 93 HB2 ASP 93 2.819 -8.937 -7.708 844 H LEU 94 H LEU 94 3.036 -12.140 -5.022 845 HA LEU 94 HA LEU 94 4.913 -10.626 -3.419 846 HB2 LEU 94 HB3 LEU 94 3.760 -13.206 -3.286 847 HB3 LEU 94 HB2 LEU 94 5.477 -13.455 -3.529 848 HG LEU 94 HG LEU 94 4.964 -13.496 -1.164 849 HD11 LEU 94 HD11 LEU 94 6.481 -11.769 -0.352 850 HD12 LEU 94 HD12 LEU 94 6.403 -10.965 -1.921 851 HD13 LEU 94 HD13 LEU 94 7.116 -12.572 -1.789 852 HD21 LEU 94 HD21 LEU 94 4.072 -11.541 -0.013 853 HD22 LEU 94 HD22 LEU 94 2.930 -12.157 -1.206 854 HD23 LEU 94 HD23 LEU 94 3.880 -10.714 -1.557 855 H LYS 95 H LYS 95 6.653 -9.810 -4.412 856 HA LYS 95 HA LYS 95 7.441 -10.910 -6.987 857 HB2 LYS 95 HB3 LYS 95 7.139 -8.481 -6.766 858 HB3 LYS 95 HB2 LYS 95 8.349 -8.438 -5.491 859 HG2 LYS 95 HG3 LYS 95 10.018 -9.264 -7.143 860 HG3 LYS 95 HG2 LYS 95 8.786 -9.085 -8.396 861 HD2 LYS 95 HD3 LYS 95 8.620 -6.709 -7.919 862 HD3 LYS 95 HD2 LYS 95 9.785 -6.871 -6.605 863 HE2 LYS 95 HE3 LYS 95 10.297 -7.335 -9.539 864 HE3 LYS 95 HE2 LYS 95 10.885 -5.987 -8.567 865 HZ1 LYS 95 HZ1 LYS 95 12.636 -7.557 -8.789 866 HZ2 LYS 95 HZ2 LYS 95 11.646 -8.840 -8.315 867 HZ3 LYS 95 HZ3 LYS 95 12.084 -7.657 -7.187 868 H ASP 96 H ASP 96 9.026 -9.851 -4.014 869 HA ASP 96 HA ASP 96 10.920 -12.085 -4.254 870 HB2 ASP 96 HB3 ASP 96 11.589 -9.288 -3.286 871 HB3 ASP 96 HB2 ASP 96 12.707 -10.638 -3.416 872 HA PRO 97 HA PRO 97 9.807 -13.067 -0.126 873 HB2 PRO 97 HB3 PRO 97 12.605 -13.154 0.793 874 HB3 PRO 97 HB2 PRO 97 11.423 -14.460 0.665 875 HG2 PRO 97 HG3 PRO 97 13.496 -14.298 -1.017 876 HG3 PRO 97 HG2 PRO 97 11.903 -14.855 -1.563 877 HD2 PRO 97 HD3 PRO 97 13.176 -12.157 -1.887 878 HD3 PRO 97 HD2 PRO 97 12.276 -13.122 -3.073 879 H ASN 98 H ASN 98 11.099 -10.145 -0.738 880 HA ASN 98 HA ASN 98 10.307 -9.173 1.888 881 HB2 ASN 98 HB3 ASN 98 12.812 -9.413 1.918 882 HB3 ASN 98 HB2 ASN 98 12.887 -8.265 0.590 883 HD21 ASN 98 HD21 ASN 98 14.021 -6.727 1.691 884 HD22 ASN 98 HD22 ASN 98 13.357 -5.812 3.005 885 H THR 99 H THR 99 9.258 -9.226 -0.909 886 HA THR 99 HA THR 99 8.596 -6.406 -1.045 887 HB THR 99 HB THR 99 9.699 -7.753 -3.512 888 HG1 THR 99 HG1 THR 99 10.951 -6.403 -1.455 889 HG21 THR 99 HG21 THR 99 8.020 -6.014 -3.924 890 HG22 THR 99 HG22 THR 99 9.620 -5.485 -4.445 891 HG23 THR 99 HG23 THR 99 8.940 -4.885 -2.932 892 H LEU 100 H LEU 100 6.476 -6.760 -0.740 893 HA LEU 100 HA LEU 100 4.993 -8.414 -2.652 894 HB2 LEU 100 HB3 LEU 100 4.160 -8.623 -0.450 895 HB3 LEU 100 HB2 LEU 100 4.290 -6.908 -0.142 896 HG LEU 100 HG LEU 100 2.393 -6.538 -1.728 897 HD11 LEU 100 HD11 LEU 100 2.630 -8.597 -3.020 898 HD12 LEU 100 HD12 LEU 100 1.007 -8.415 -2.360 899 HD13 LEU 100 HD13 LEU 100 2.142 -9.534 -1.609 900 HD21 LEU 100 HD21 LEU 100 1.850 -8.353 0.616 901 HD22 LEU 100 HD22 LEU 100 0.672 -7.303 -0.172 902 HD23 LEU 100 HD23 LEU 100 2.048 -6.602 0.682 903 H THR 101 H THR 101 3.400 -7.384 -4.111 904 HA THR 101 HA THR 101 3.782 -4.476 -4.360 905 HB THR 101 HB THR 101 3.522 -4.852 -6.877 906 HG1 THR 101 HG1 THR 101 4.032 -7.491 -5.962 907 HG21 THR 101 HG21 THR 101 5.617 -4.157 -5.816 908 HG22 THR 101 HG22 THR 101 5.912 -5.243 -7.174 909 HG23 THR 101 HG23 THR 101 6.027 -5.846 -5.520 910 H GLU 102 H GLU 102 2.011 -3.282 -4.777 911 HA GLU 102 HA GLU 102 -0.517 -4.718 -5.274 912 HB2 GLU 102 HB3 GLU 102 -0.416 -3.619 -3.050 913 HB3 GLU 102 HB2 GLU 102 -0.155 -2.071 -3.841 914 HG2 GLU 102 HG3 GLU 102 -2.350 -2.262 -4.907 915 HG3 GLU 102 HG2 GLU 102 -2.601 -3.811 -4.106 916 H THR 103 H THR 103 -1.022 -4.499 -7.345 917 HA THR 103 HA THR 103 -0.205 -2.061 -8.756 918 HB THR 103 HB THR 103 -1.005 -4.775 -9.826 919 HG1 THR 103 HG1 THR 103 1.536 -3.476 -9.842 920 HG21 THR 103 HG21 THR 103 -1.614 -3.024 -11.406 921 HG22 THR 103 HG22 THR 103 -0.211 -3.916 -11.998 922 HG23 THR 103 HG23 THR 103 -0.001 -2.322 -11.275 923 H HIS 104 H HIS 104 -1.692 -0.594 -9.104 924 HA HIS 104 HA HIS 104 -4.529 -1.339 -9.064 925 HB2 HIS 104 HB3 HIS 104 -3.372 1.451 -9.114 926 HB3 HIS 104 HB2 HIS 104 -4.998 0.968 -8.674 927 HD1 HIS 104 HD1 HIS 104 -2.882 2.654 -6.922 928 HD2 HIS 104 HD2 HIS 104 -3.977 -1.338 -6.433 929 HE1 HIS 104 HE1 HIS 104 -2.436 2.106 -4.507 930 HE2 HIS 104 HE2 HIS 104 -3.250 -0.263 -4.198 931 H ILE 105 H ILE 105 -5.530 -1.599 -11.000 932 HA ILE 105 HA ILE 105 -4.598 0.105 -13.211 933 HB ILE 105 HB ILE 105 -5.533 -2.751 -13.345 934 HG12 ILE 105 HG13 ILE 105 -3.005 -1.349 -14.219 935 HG13 ILE 105 HG12 ILE 105 -3.172 -2.405 -12.820 936 HG21 ILE 105 HG21 ILE 105 -5.079 -0.824 -15.623 937 HG22 ILE 105 HG22 ILE 105 -6.633 -1.503 -15.133 938 HG23 ILE 105 HG23 ILE 105 -5.374 -2.553 -15.790 939 HD11 ILE 105 HD11 ILE 105 -3.529 -3.218 -15.684 940 HD12 ILE 105 HD12 ILE 105 -3.649 -4.273 -14.275 941 HD13 ILE 105 HD13 ILE 105 -2.106 -3.527 -14.689 942 H LYS 106 H LYS 106 -6.000 1.546 -13.734 943 HA LYS 106 HA LYS 106 -8.698 1.596 -13.005 944 HB2 LYS 106 HB3 LYS 106 -7.184 3.088 -15.146 945 HB3 LYS 106 HB2 LYS 106 -8.871 3.406 -14.770 946 HG2 LYS 106 HG3 LYS 106 -8.243 3.981 -12.471 947 HG3 LYS 106 HG2 LYS 106 -6.548 3.687 -12.868 948 HD2 LYS 106 HD3 LYS 106 -6.515 5.499 -14.414 949 HD3 LYS 106 HD2 LYS 106 -8.266 5.682 -14.331 950 HE2 LYS 106 HE3 LYS 106 -7.202 7.433 -13.051 951 HE3 LYS 106 HE2 LYS 106 -8.060 6.345 -11.965 952 HZ1 LYS 106 HZ1 LYS 106 -5.967 5.291 -11.418 953 HZ2 LYS 106 HZ2 LYS 106 -5.875 6.949 -11.118 954 HZ3 LYS 106 HZ3 LYS 106 -5.133 6.296 -12.497 955 H VAL 107 H VAL 107 -10.157 0.245 -13.616 956 HA VAL 107 HA VAL 107 -10.162 -1.401 -15.829 957 HB VAL 107 HB VAL 107 -12.613 -1.685 -15.441 958 HG11 VAL 107 HG11 VAL 107 -10.991 -3.113 -14.334 959 HG12 VAL 107 HG12 VAL 107 -12.310 -2.729 -13.226 960 HG13 VAL 107 HG13 VAL 107 -10.760 -1.903 -13.073 961 HG21 VAL 107 HG21 VAL 107 -11.998 0.399 -13.393 962 HG22 VAL 107 HG22 VAL 107 -13.424 -0.634 -13.313 963 HG23 VAL 107 HG23 VAL 107 -13.199 0.468 -14.676 964 H ASP 108 H ASP 108 -11.037 1.916 -15.624 965 HA ASP 108 HA ASP 108 -12.562 1.901 -18.086 966 HB2 ASP 108 HB3 ASP 108 -12.841 4.285 -17.708 967 HB3 ASP 108 HB2 ASP 108 -13.191 3.407 -16.225 968 H ASP 109 H ASP 109 -9.358 2.782 -16.956 969 HA ASP 109 HA ASP 109 -8.413 2.804 -19.693 970 HB2 ASP 109 HB3 ASP 109 -8.906 5.167 -19.344 971 HB3 ASP 109 HB2 ASP 109 -8.004 5.160 -17.830 972 HA PRO 110 HA PRO 110 -5.761 0.487 -16.899 973 HB2 PRO 110 HB3 PRO 110 -5.006 -1.353 -18.707 974 HB3 PRO 110 HB2 PRO 110 -6.595 -1.380 -17.942 975 HG2 PRO 110 HG3 PRO 110 -5.821 -0.349 -20.639 976 HG3 PRO 110 HG2 PRO 110 -7.211 -1.345 -20.176 977 HD2 PRO 110 HD3 PRO 110 -7.380 1.326 -20.549 978 HD3 PRO 110 HD2 PRO 110 -8.406 0.440 -19.413 979 H THR 111 H THR 111 -4.959 2.716 -19.144 980 HA THR 111 HA THR 111 -2.190 1.913 -19.464 981 HB THR 111 HB THR 111 -1.850 3.916 -20.747 982 HG1 THR 111 HG1 THR 111 -4.447 4.696 -19.823 983 HG21 THR 111 HG21 THR 111 -2.970 2.065 -21.886 984 HG22 THR 111 HG22 THR 111 -3.502 3.620 -22.522 985 HG23 THR 111 HG23 THR 111 -4.538 2.719 -21.416 986 H ASP 112 H ASP 112 -4.128 3.866 -17.355 987 HA ASP 112 HA ASP 112 -1.781 5.092 -16.152 988 HB2 ASP 112 HB3 ASP 112 -3.929 6.370 -16.414 989 HB3 ASP 112 HB2 ASP 112 -4.657 5.280 -15.238 990 H VAL 113 H VAL 113 -1.365 2.536 -15.959 991 HA VAL 113 HA VAL 113 -2.237 1.221 -13.682 992 HB VAL 113 HB VAL 113 -0.869 0.283 -15.567 993 HG11 VAL 113 HG11 VAL 113 1.402 1.638 -14.129 994 HG12 VAL 113 HG12 VAL 113 0.799 2.040 -15.737 995 HG13 VAL 113 HG13 VAL 113 1.566 0.479 -15.448 996 HG21 VAL 113 HG21 VAL 113 0.379 -1.255 -14.173 997 HG22 VAL 113 HG22 VAL 113 -1.222 -0.932 -13.514 998 HG23 VAL 113 HG23 VAL 113 0.194 -0.166 -12.801 999 H GLU 114 H GLU 114 -1.141 1.001 -11.621 1000 HA GLU 114 HA GLU 114 0.783 3.034 -10.884 1001 HB2 GLU 114 HB3 GLU 114 -1.354 4.188 -10.633 1002 HB3 GLU 114 HB2 GLU 114 -1.975 2.871 -9.653 1003 HG2 GLU 114 HG3 GLU 114 -0.220 3.376 -7.973 1004 HG3 GLU 114 HG2 GLU 114 0.231 4.787 -8.938 1005 H THR 115 H THR 115 2.183 2.143 -9.440 1006 HA THR 115 HA THR 115 1.272 -0.264 -8.034 1007 HB THR 115 HB THR 115 3.935 -0.069 -9.455 1008 HG1 THR 115 HG1 THR 115 2.386 -0.289 -11.039 1009 HG21 THR 115 HG21 THR 115 4.075 -2.471 -8.979 1010 HG22 THR 115 HG22 THR 115 2.532 -2.399 -8.130 1011 HG23 THR 115 HG23 THR 115 3.932 -1.541 -7.486 1012 H TYR 116 H TYR 116 1.806 -0.353 -6.007 1013 HA TYR 116 HA TYR 116 4.049 1.300 -5.000 1014 HB2 TYR 116 HB3 TYR 116 1.849 0.122 -3.284 1015 HB3 TYR 116 HB2 TYR 116 3.027 1.339 -2.833 1016 HD1 TYR 116 HD1 TYR 116 2.412 2.860 -5.636 1017 HD2 TYR 116 HD2 TYR 116 0.124 1.530 -2.306 1018 HE1 TYR 116 HE1 TYR 116 0.747 4.616 -6.081 1019 HE2 TYR 116 HE2 TYR 116 -1.542 3.275 -2.739 1020 HH TYR 116 HH TYR 116 -1.701 4.996 -5.620 1021 H GLU 117 H GLU 117 5.410 0.091 -3.280 1022 HA GLU 117 HA GLU 117 5.115 -2.796 -3.635 1023 HB2 GLU 117 HB3 GLU 117 7.770 -1.386 -3.376 1024 HB3 GLU 117 HB2 GLU 117 7.487 -3.075 -3.750 1025 HG2 GLU 117 HG3 GLU 117 6.507 -2.396 -5.910 1026 HG3 GLU 117 HG2 GLU 117 6.907 -0.723 -5.532 1027 H TYR 118 H TYR 118 5.295 -3.927 -1.779 1028 HA TYR 118 HA TYR 118 5.718 -2.401 0.687 1029 HB2 TYR 118 HB3 TYR 118 4.387 -5.083 0.236 1030 HB3 TYR 118 HB2 TYR 118 4.578 -4.304 1.803 1031 HD1 TYR 118 HD1 TYR 118 3.396 -2.148 2.243 1032 HD2 TYR 118 HD2 TYR 118 2.606 -4.470 -1.230 1033 HE1 TYR 118 HE1 TYR 118 1.299 -0.934 1.910 1034 HE2 TYR 118 HE2 TYR 118 0.524 -3.259 -1.563 1035 HH TYR 118 HH TYR 118 -0.963 -1.931 -0.581 1036 H ARG 119 H ARG 119 7.968 -2.416 0.552 1037 HA ARG 119 HA ARG 119 9.191 -5.043 1.076 1038 HB2 ARG 119 HB3 ARG 119 11.299 -4.099 0.271 1039 HB3 ARG 119 HB2 ARG 119 10.053 -3.957 -0.959 1040 HG2 ARG 119 HG3 ARG 119 10.857 -1.868 -1.142 1041 HG3 ARG 119 HG2 ARG 119 9.804 -1.557 0.239 1042 HD2 ARG 119 HD3 ARG 119 12.018 -0.643 0.644 1043 HD3 ARG 119 HD2 ARG 119 11.688 -1.971 1.757 1044 HE ARG 119 HE ARG 119 13.155 -2.587 -0.690 1045 HH11 ARG 119 HH11 ARG 119 13.263 -1.998 2.757 1046 HH12 ARG 119 HH12 ARG 119 14.791 -2.789 2.972 1047 HH21 ARG 119 HH21 ARG 119 15.167 -3.615 -0.409 1048 HH22 ARG 119 HH22 ARG 119 15.863 -3.719 1.177 1049 H ARG 120 H ARG 120 10.454 -5.244 2.967 1050 HA ARG 120 HA ARG 120 9.961 -3.009 4.803 1051 HB2 ARG 120 HB3 ARG 120 10.228 -5.954 5.296 1052 HB3 ARG 120 HB2 ARG 120 10.424 -4.782 6.592 1053 HG2 ARG 120 HG3 ARG 120 8.167 -3.890 6.026 1054 HG3 ARG 120 HG2 ARG 120 7.982 -5.238 4.904 1055 HD2 ARG 120 HD3 ARG 120 6.929 -5.660 7.086 1056 HD3 ARG 120 HD2 ARG 120 8.202 -6.816 6.708 1057 HE ARG 120 HE ARG 120 9.628 -5.268 8.183 1058 HH11 ARG 120 HH11 ARG 120 6.251 -6.029 8.715 1059 HH12 ARG 120 HH12 ARG 120 6.315 -5.701 10.416 1060 HH21 ARG 120 HH21 ARG 120 9.724 -4.876 10.433 1061 HH22 ARG 120 HH22 ARG 120 8.285 -5.055 11.394 1062 H ASP 121 H ASP 121 11.492 -2.140 6.034 1063 HA ASP 121 HA ASP 121 14.235 -2.569 5.138 1064 HB2 ASP 121 HB3 ASP 121 13.368 -0.283 5.117 1065 HB3 ASP 121 HB2 ASP 121 12.995 -0.387 6.830 1066 H GLY 122 H GLY 122 12.187 -3.389 7.657 1067 HA2 GLY 122 HA3 GLY 122 13.531 -5.102 9.111 1068 HA3 GLY 122 HA2 GLY 122 14.310 -3.619 9.652 1069 H ASP 123 H ASP 123 13.014 -2.002 10.656 1070 HA ASP 123 HA ASP 123 10.768 -3.127 12.144 1071 HB2 ASP 123 HB3 ASP 123 12.220 -0.485 12.442 1072 HB3 ASP 123 HB2 ASP 123 10.915 -1.039 13.484 1073 H TYR 124 H TYR 124 11.436 -1.099 9.474 1074 HA TYR 124 HA TYR 124 8.747 0.072 9.617 1075 HB2 TYR 124 HB3 TYR 124 11.259 1.071 8.259 1076 HB3 TYR 124 HB2 TYR 124 9.669 1.790 8.020 1077 HD1 TYR 124 HD1 TYR 124 12.419 1.289 10.391 1078 HD2 TYR 124 HD2 TYR 124 8.647 3.136 9.748 1079 HE1 TYR 124 HE1 TYR 124 12.792 2.721 12.353 1080 HE2 TYR 124 HE2 TYR 124 9.002 4.565 11.707 1081 HH TYR 124 HH TYR 124 10.347 4.473 13.834 1082 H LEU 125 H LEU 125 7.352 -0.241 8.012 1083 HA LEU 125 HA LEU 125 8.062 -1.958 5.798 1084 HB2 LEU 125 HB3 LEU 125 5.712 -1.470 7.174 1085 HB3 LEU 125 HB2 LEU 125 5.488 -0.517 5.724 1086 HG LEU 125 HG LEU 125 5.826 -3.502 5.946 1087 HD11 LEU 125 HD11 LEU 125 3.583 -2.605 6.296 1088 HD12 LEU 125 HD12 LEU 125 3.679 -3.538 4.803 1089 HD13 LEU 125 HD13 LEU 125 3.665 -1.774 4.740 1090 HD21 LEU 125 HD21 LEU 125 5.769 -1.889 3.400 1091 HD22 LEU 125 HD22 LEU 125 5.815 -3.650 3.542 1092 HD23 LEU 125 HD23 LEU 125 7.196 -2.687 4.067 1093 H VAL 126 H VAL 126 8.626 -1.164 3.804 1094 HA VAL 126 HA VAL 126 8.599 1.766 3.573 1095 HB VAL 126 HB VAL 126 10.526 -0.118 2.204 1096 HG11 VAL 126 HG11 VAL 126 10.137 1.928 0.962 1097 HG12 VAL 126 HG12 VAL 126 11.751 1.956 1.678 1098 HG13 VAL 126 HG13 VAL 126 10.444 2.892 2.409 1099 HG21 VAL 126 HG21 VAL 126 10.950 1.642 4.619 1100 HG22 VAL 126 HG22 VAL 126 12.216 0.768 3.756 1101 HG23 VAL 126 HG23 VAL 126 10.945 -0.122 4.595 1102 H MET 127 H MET 127 6.996 2.316 2.341 1103 HA MET 127 HA MET 127 6.092 0.626 0.175 1104 HB2 MET 127 HB3 MET 127 4.336 1.772 1.290 1105 HB3 MET 127 HB2 MET 127 5.176 3.313 1.181 1106 HG2 MET 127 HG3 MET 127 4.691 3.577 -1.059 1107 HG3 MET 127 HG2 MET 127 4.407 1.855 -1.301 1108 HE1 MET 127 HE1 MET 127 2.370 1.063 1.020 1109 HE2 MET 127 HE2 MET 127 2.392 0.597 -0.681 1110 HE3 MET 127 HE3 MET 127 0.914 1.241 0.039 1111 H LYS 128 H LYS 128 6.805 0.722 -1.829 1112 HA LYS 128 HA LYS 128 8.618 2.940 -2.494 1113 HB2 LYS 128 HB3 LYS 128 9.495 0.512 -2.322 1114 HB3 LYS 128 HB2 LYS 128 8.625 0.241 -3.823 1115 HG2 LYS 128 HG3 LYS 128 10.896 0.695 -4.351 1116 HG3 LYS 128 HG2 LYS 128 9.929 2.086 -4.849 1117 HD2 LYS 128 HD3 LYS 128 10.609 3.323 -2.907 1118 HD3 LYS 128 HD2 LYS 128 11.436 1.911 -2.241 1119 HE2 LYS 128 HE3 LYS 128 12.896 1.944 -4.279 1120 HE3 LYS 128 HE2 LYS 128 12.164 3.493 -4.695 1121 HZ1 LYS 128 HZ1 LYS 128 14.143 3.979 -3.561 1122 HZ2 LYS 128 HZ2 LYS 128 13.838 2.848 -2.345 1123 HZ3 LYS 128 HZ3 LYS 128 12.911 4.261 -2.432 1124 H MET 129 H MET 129 7.698 4.321 -3.829 1125 HA MET 129 HA MET 129 5.794 3.296 -5.845 1126 HB2 MET 129 HB3 MET 129 5.703 6.030 -4.560 1127 HB3 MET 129 HB2 MET 129 4.467 5.272 -5.556 1128 HG2 MET 129 HG3 MET 129 3.789 3.848 -3.864 1129 HG3 MET 129 HG2 MET 129 5.298 4.029 -2.973 1130 HE1 MET 129 HE1 MET 129 1.799 5.472 -3.778 1131 HE2 MET 129 HE2 MET 129 2.812 6.719 -4.511 1132 HE3 MET 129 HE3 MET 129 1.857 7.090 -3.074 1133 H SER 130 H SER 130 6.407 3.718 -7.908 1134 HA SER 130 HA SER 130 8.227 5.964 -8.354 1135 HB2 SER 130 HB3 SER 130 9.444 4.342 -9.985 1136 HB3 SER 130 HB2 SER 130 9.784 4.243 -8.257 1137 HG SER 130 HG SER 130 9.027 2.289 -9.767 1138 H TRP 131 H TRP 131 7.733 7.167 -10.028 1139 HA TRP 131 HA TRP 131 6.390 6.079 -12.360 1140 HB2 TRP 131 HB3 TRP 131 4.591 6.696 -10.655 1141 HB3 TRP 131 HB2 TRP 131 5.093 8.371 -10.877 1142 HD1 TRP 131 HD1 TRP 131 4.162 9.629 -12.951 1143 HE1 TRP 131 HE1 TRP 131 2.583 9.002 -14.881 1144 HE3 TRP 131 HE3 TRP 131 3.910 4.593 -12.164 1145 HZ2 TRP 131 HZ2 TRP 131 1.402 6.668 -15.942 1146 HZ3 TRP 131 HZ3 TRP 131 2.541 3.234 -13.685 1147 HH2 TRP 131 HH2 TRP 131 1.310 4.249 -15.534 1148 H LYS 132 H LYS 132 6.845 7.190 -14.174 1149 HA LYS 132 HA LYS 132 8.102 8.463 -15.543 1150 HB2 LYS 132 HB3 LYS 132 7.205 10.620 -13.633 1151 HB3 LYS 132 HB2 LYS 132 7.952 10.924 -15.192 1152 HG2 LYS 132 HG3 LYS 132 5.356 9.459 -14.777 1153 HG3 LYS 132 HG2 LYS 132 5.508 11.153 -15.242 1154 HD2 LYS 132 HD3 LYS 132 6.669 10.484 -17.290 1155 HD3 LYS 132 HD2 LYS 132 6.530 8.790 -16.818 1156 HE2 LYS 132 HE3 LYS 132 4.090 8.974 -16.878 1157 HE3 LYS 132 HE2 LYS 132 4.229 10.668 -17.343 1158 HZ1 LYS 132 HZ1 LYS 132 5.286 8.400 -18.934 1159 HZ2 LYS 132 HZ2 LYS 132 5.265 10.025 -19.389 1160 HZ3 LYS 132 HZ3 LYS 132 3.813 9.175 -19.229 1161 H GLY 133 H GLY 133 9.607 7.132 -13.613 1162 HA2 GLY 133 HA3 GLY 133 11.886 7.054 -13.181 1163 HA3 GLY 133 HA2 GLY 133 12.020 8.712 -13.745 1164 H VAL 134 H VAL 134 9.634 9.058 -11.674 1165 HA VAL 134 HA VAL 134 11.439 9.928 -9.556 1166 HB VAL 134 HB VAL 134 8.450 10.340 -9.754 1167 HG11 VAL 134 HG11 VAL 134 10.554 11.697 -8.073 1168 HG12 VAL 134 HG12 VAL 134 9.301 10.596 -7.499 1169 HG13 VAL 134 HG13 VAL 134 8.857 12.170 -8.159 1170 HG21 VAL 134 HG21 VAL 134 10.689 12.167 -10.616 1171 HG22 VAL 134 HG22 VAL 134 8.978 12.595 -10.564 1172 HG23 VAL 134 HG23 VAL 134 9.541 11.346 -11.675 1173 H SER 135 H SER 135 11.953 8.405 -8.112 1174 HA SER 135 HA SER 135 9.870 6.569 -7.208 1175 HB2 SER 135 HB3 SER 135 12.226 5.748 -6.048 1176 HB3 SER 135 HB2 SER 135 11.519 5.099 -7.522 1177 HG SER 135 HG SER 135 13.419 7.210 -7.326 1178 H THR 136 H THR 136 9.037 6.716 -5.290 1179 HA THR 136 HA THR 136 10.348 8.443 -3.298 1180 HB THR 136 HB THR 136 8.321 9.535 -4.072 1181 HG1 THR 136 HG1 THR 136 8.833 9.538 -1.776 1182 HG21 THR 136 HG21 THR 136 7.153 7.527 -4.892 1183 HG22 THR 136 HG22 THR 136 6.128 8.530 -3.865 1184 HG23 THR 136 HG23 THR 136 6.840 7.048 -3.222 1185 H SER 137 H SER 137 10.461 7.712 -1.225 1186 HA SER 137 HA SER 137 9.560 4.948 -0.771 1187 HB2 SER 137 HB3 SER 137 11.920 6.319 0.540 1188 HB3 SER 137 HB2 SER 137 11.500 4.609 0.619 1189 HG SER 137 HG SER 137 12.742 6.058 -1.398 1190 H ARG 138 H ARG 138 7.910 4.879 0.625 1191 HA ARG 138 HA ARG 138 7.705 7.019 2.631 1192 HB2 ARG 138 HB3 ARG 138 5.539 5.042 1.954 1193 HB3 ARG 138 HB2 ARG 138 5.379 6.589 2.772 1194 HG2 ARG 138 HG3 ARG 138 6.261 7.557 0.520 1195 HG3 ARG 138 HG2 ARG 138 5.722 6.008 -0.131 1196 HD2 ARG 138 HD3 ARG 138 3.883 7.430 -0.400 1197 HD3 ARG 138 HD2 ARG 138 3.506 6.486 1.043 1198 HE ARG 138 HE ARG 138 4.805 9.046 1.485 1199 HH11 ARG 138 HH11 ARG 138 1.826 7.211 1.436 1200 HH12 ARG 138 HH12 ARG 138 0.940 8.416 2.322 1201 HH21 ARG 138 HH21 ARG 138 3.664 10.626 2.642 1202 HH22 ARG 138 HH22 ARG 138 1.978 10.367 2.999 1203 H TYR 139 H TYR 139 7.767 6.572 4.775 1204 HA TYR 139 HA TYR 139 8.572 3.820 5.419 1205 HB2 TYR 139 HB3 TYR 139 9.269 6.419 6.798 1206 HB3 TYR 139 HB2 TYR 139 9.797 4.822 7.325 1207 HD1 TYR 139 HD1 TYR 139 10.114 7.361 4.666 1208 HD2 TYR 139 HD2 TYR 139 11.589 3.692 6.237 1209 HE1 TYR 139 HE1 TYR 139 12.081 7.530 3.203 1210 HE2 TYR 139 HE2 TYR 139 13.558 3.852 4.777 1211 HH TYR 139 HH TYR 139 14.291 4.904 2.792 1212 H TYR 140 H TYR 140 7.066 2.697 6.335 1213 HA TYR 140 HA TYR 140 5.189 4.006 8.184 1214 HB2 TYR 140 HB3 TYR 140 4.960 1.534 6.467 1215 HB3 TYR 140 HB2 TYR 140 3.823 1.889 7.759 1216 HD1 TYR 140 HD1 TYR 140 2.064 3.392 7.444 1217 HD2 TYR 140 HD2 TYR 140 5.155 3.164 4.527 1218 HE1 TYR 140 HE1 TYR 140 0.737 4.800 5.942 1219 HE2 TYR 140 HE2 TYR 140 3.824 4.580 3.009 1220 HH TYR 140 HH TYR 140 1.531 5.287 2.635 1221 H LYS 141 H LYS 141 5.193 3.420 10.275 1222 HA LYS 141 HA LYS 141 6.513 0.892 10.985 1223 HB2 LYS 141 HB3 LYS 141 7.054 1.885 13.191 1224 HB3 LYS 141 HB2 LYS 141 7.891 2.656 11.861 1225 HG2 LYS 141 HG3 LYS 141 7.250 4.428 13.210 1226 HG3 LYS 141 HG2 LYS 141 6.017 4.408 11.950 1227 HD2 LYS 141 HD3 LYS 141 4.994 4.717 14.133 1228 HD3 LYS 141 HD2 LYS 141 4.527 3.174 13.434 1229 HE2 LYS 141 HE3 LYS 141 6.159 2.019 14.802 1230 HE3 LYS 141 HE2 LYS 141 6.704 3.553 15.481 1231 HZ1 LYS 141 HZ1 LYS 141 4.612 3.852 16.545 1232 HZ2 LYS 141 HZ2 LYS 141 5.132 2.287 16.909 1233 HZ3 LYS 141 HZ3 LYS 141 3.932 2.527 15.742 1234 H LYS 142 H LYS 142 5.496 -0.150 12.921 1235 HA LYS 142 HA LYS 142 2.877 -0.707 12.608 1236 HB2 LYS 142 HB3 LYS 142 4.443 -1.826 14.188 1237 HB3 LYS 142 HB2 LYS 142 4.189 -0.506 15.321 1238 HG2 LYS 142 HG3 LYS 142 1.850 -1.076 15.514 1239 HG3 LYS 142 HG2 LYS 142 2.032 -2.340 14.296 1240 HD2 LYS 142 HD3 LYS 142 3.639 -3.488 15.777 1241 HD3 LYS 142 HD2 LYS 142 3.360 -2.250 17.004 1242 HE2 LYS 142 HE3 LYS 142 1.010 -2.867 17.112 1243 HE3 LYS 142 HE2 LYS 142 1.253 -4.066 15.846 1244 HZ1 LYS 142 HZ1 LYS 142 2.785 -5.233 17.326 1245 HZ2 LYS 142 HZ2 LYS 142 1.241 -5.109 18.001 1246 HZ3 LYS 142 HZ3 LYS 142 2.482 -4.100 18.545 1247 H GLN 143 H GLN 143 0.786 0.064 13.388 1248 HA GLN 143 HA GLN 143 0.452 2.710 14.062 1249 HB2 GLN 143 HB3 GLN 143 -1.185 0.267 14.565 1250 HB3 GLN 143 HB2 GLN 143 -1.646 1.759 15.372 1251 HG2 GLN 143 HG3 GLN 143 -1.159 1.734 12.430 1252 HG3 GLN 143 HG2 GLN 143 -2.688 1.155 13.084 1253 HE21 GLN 143 HE21 GLN 143 -0.903 3.720 14.623 1254 HE22 GLN 143 HE22 GLN 143 -1.988 4.995 14.203 1255 H21 OLA1001 H21 OLA1001 -1.048 5.924 -1.151 1256 H22 OLA1001 H22 OLA1001 0.660 5.957 -1.576 1257 H31 OLA1001 H31 OLA1001 -0.308 8.172 -1.725 1258 H32 OLA1001 H32 OLA1001 0.911 8.105 -0.458 1259 H41 OLA1001 H41 OLA1001 -1.050 9.384 0.240 1260 H42 OLA1001 H42 OLA1001 -0.818 7.948 1.235 1261 H51 OLA1001 H51 OLA1001 -2.537 6.772 -0.021 1262 H52 OLA1001 H52 OLA1001 -2.752 8.178 -1.066 1263 H61 OLA1001 H61 OLA1001 -3.099 8.341 1.912 1264 H62 OLA1001 H62 OLA1001 -4.417 7.862 0.843 1265 H71 OLA1001 H71 OLA1001 -2.883 10.400 0.397 1266 H72 OLA1001 H72 OLA1001 -4.252 10.328 1.509 1267 H81 OLA1001 H81 OLA1001 -5.679 9.516 -0.295 1268 H82 OLA1001 H82 OLA1001 -4.315 9.578 -1.402 1269 H9 OLA1001 H9 OLA1001 -4.471 12.192 -0.440 1270 H10 OLA1001 H10 OLA1001 -6.245 12.873 -1.859 1271 H111 OLA1001 H111 OLA1001 -8.041 11.238 -2.148 1272 H112 OLA1001 H112 OLA1001 -6.912 9.908 -1.970 1273 H121 OLA1001 H121 OLA1001 -6.980 11.820 -4.292 1274 H122 OLA1001 H122 OLA1001 -7.673 10.200 -4.281 1275 H131 OLA1001 H131 OLA1001 -4.759 10.840 -3.843 1276 H132 OLA1001 H132 OLA1001 -5.461 10.291 -5.370 1277 H141 OLA1001 H141 OLA1001 -6.221 8.227 -4.227 1278 H142 OLA1001 H142 OLA1001 -5.399 8.769 -2.767 1279 H151 OLA1001 H151 OLA1001 -4.133 8.143 -5.426 1280 H152 OLA1001 H152 OLA1001 -3.991 7.204 -3.937 1281 H161 OLA1001 H161 OLA1001 -2.906 9.158 -2.862 1282 H162 OLA1001 H162 OLA1001 -2.968 9.997 -4.411 1283 H171 OLA1001 H171 OLA1001 -1.563 8.325 -5.429 1284 H172 OLA1001 H172 OLA1001 -1.567 7.376 -3.942 1285 H181 OLA1001 H181 OLA1001 0.388 8.416 -3.602 1286 H182 OLA1001 H182 OLA1001 -0.654 9.716 -3.002 1287 H183 OLA1001 H183 OLA1001 -0.028 9.772 -4.658 Start of MODEL 3 1 H1 MET -11 H1 MET -11 6.412 -12.752 -9.472 2 H2 MET -11 H2 MET -11 5.398 -12.442 -8.152 3 H3 MET -11 H3 MET -11 4.732 -12.813 -9.663 4 HA MET -11 HA MET -11 6.359 -14.639 -7.998 5 HB2 MET -11 HB3 MET -11 4.107 -14.238 -7.093 6 HB3 MET -11 HB2 MET -11 3.406 -14.652 -8.649 7 HG2 MET -11 HG3 MET -11 4.439 -16.918 -8.406 8 HG3 MET -11 HG2 MET -11 4.870 -16.466 -6.758 9 HE1 MET -11 HE1 MET -11 1.270 -15.777 -5.257 10 HE2 MET -11 HE2 MET -11 2.244 -14.600 -6.136 11 HE3 MET -11 HE3 MET -11 3.004 -15.670 -4.959 12 H ARG -10 H ARG -10 7.381 -16.120 -9.176 13 HA ARG -10 HA ARG -10 6.126 -17.014 -11.684 14 HB2 ARG -10 HB3 ARG -10 9.074 -16.540 -11.202 15 HB3 ARG -10 HB2 ARG -10 8.411 -17.324 -12.625 16 HG2 ARG -10 HG3 ARG -10 7.998 -14.467 -11.774 17 HG3 ARG -10 HG2 ARG -10 8.946 -15.045 -13.143 18 HD2 ARG -10 HD3 ARG -10 5.958 -15.238 -12.792 19 HD3 ARG -10 HD2 ARG -10 6.825 -14.211 -13.931 20 HE ARG -10 HE ARG -10 7.465 -16.950 -14.330 21 HH11 ARG -10 HH11 ARG -10 4.946 -14.590 -14.892 22 HH12 ARG -10 HH12 ARG -10 4.323 -15.402 -16.292 23 HH21 ARG -10 HH21 ARG -10 6.635 -18.038 -16.161 24 HH22 ARG -10 HH22 ARG -10 5.279 -17.365 -17.011 25 H GLY -9 H GLY -9 6.958 -19.198 -12.357 26 HA2 GLY -9 HA3 GLY -9 7.839 -21.317 -11.852 27 HA3 GLY -9 HA2 GLY -9 8.045 -20.811 -10.182 28 H SER -8 H SER -8 6.629 -21.499 -8.738 29 HA SER -8 HA SER -8 4.839 -22.498 -7.780 30 HB2 SER -8 HB3 SER -8 3.335 -21.506 -10.214 31 HB3 SER -8 HB2 SER -8 2.622 -22.005 -8.679 32 HG SER -8 HG SER -8 3.176 -19.618 -9.222 33 H HIS -7 H HIS -7 2.781 -24.025 -8.566 34 HA HIS -7 HA HIS -7 2.170 -26.085 -9.293 35 HB2 HIS -7 HB3 HIS -7 4.002 -25.363 -11.590 36 HB3 HIS -7 HB2 HIS -7 2.988 -26.800 -11.566 37 HD1 HIS -7 HD1 HIS -7 0.749 -26.524 -12.592 38 HD2 HIS -7 HD2 HIS -7 2.350 -22.894 -11.357 39 HE1 HIS -7 HE1 HIS -7 -0.880 -24.768 -13.364 40 HE2 HIS -7 HE2 HIS -7 0.084 -22.580 -12.560 41 H HIS -6 H HIS -6 3.729 -28.050 -10.683 42 HA HIS -6 HA HIS -6 5.263 -29.686 -10.386 43 HB2 HIS -6 HB3 HIS -6 6.649 -27.696 -8.579 44 HB3 HIS -6 HB2 HIS -6 7.319 -29.251 -9.056 45 HD1 HIS -6 HD1 HIS -6 7.052 -25.765 -10.113 46 HD2 HIS -6 HD2 HIS -6 7.852 -29.428 -11.915 47 HE1 HIS -6 HE1 HIS -6 8.085 -25.215 -12.338 48 HE2 HIS -6 HE2 HIS -6 8.724 -27.444 -13.324 49 H HIS -5 H HIS -5 5.145 -28.169 -7.159 50 HA HIS -5 HA HIS -5 3.519 -30.292 -6.126 51 HB2 HIS -5 HB3 HIS -5 5.135 -31.025 -4.386 52 HB3 HIS -5 HB2 HIS -5 5.617 -31.474 -6.013 53 HD1 HIS -5 HD1 HIS -5 6.933 -30.061 -2.994 54 HD2 HIS -5 HD2 HIS -5 7.661 -29.552 -7.055 55 HE1 HIS -5 HE1 HIS -5 9.233 -29.051 -3.153 56 HE2 HIS -5 HE2 HIS -5 9.605 -28.657 -5.611 57 H HIS -4 H HIS -4 2.875 -29.915 -3.907 58 HA HIS -4 HA HIS -4 1.872 -28.545 -2.411 59 HB2 HIS -4 HB3 HIS -4 4.491 -27.153 -2.778 60 HB3 HIS -4 HB2 HIS -4 3.214 -26.338 -1.883 61 HD1 HIS -4 HD1 HIS -4 6.081 -28.061 -1.117 62 HD2 HIS -4 HD2 HIS -4 2.132 -28.577 0.067 63 HE1 HIS -4 HE1 HIS -4 6.182 -29.328 1.051 64 HE2 HIS -4 HE2 HIS -4 3.793 -29.464 1.832 65 H HIS -3 H HIS -3 0.103 -28.109 -3.647 66 HA HIS -3 HA HIS -3 0.060 -26.158 -5.718 67 HB2 HIS -3 HB3 HIS -3 -2.131 -27.596 -4.223 68 HB3 HIS -3 HB2 HIS -3 -2.467 -26.415 -5.482 69 HD1 HIS -3 HD1 HIS -3 -2.686 -27.347 -7.756 70 HD2 HIS -3 HD2 HIS -3 -0.450 -29.827 -5.279 71 HE1 HIS -3 HE1 HIS -3 -2.214 -29.411 -9.111 72 HE2 HIS -3 HE2 HIS -3 -0.913 -30.922 -7.574 73 H HIS -2 H HIS -2 0.976 -24.326 -4.643 74 HA HIS -2 HA HIS -2 -1.016 -22.890 -3.019 75 HB2 HIS -2 HB3 HIS -2 1.988 -22.790 -2.925 76 HB3 HIS -2 HB2 HIS -2 1.010 -21.473 -2.301 77 HD1 HIS -2 HD1 HIS -2 -0.937 -22.487 -0.494 78 HD2 HIS -2 HD2 HIS -2 2.661 -24.514 -0.982 79 HE1 HIS -2 HE1 HIS -2 -0.658 -23.881 1.578 80 HE2 HIS -2 HE2 HIS -2 1.600 -24.970 1.330 81 H GLY -1 H GLY -1 -2.099 -21.774 -4.562 82 HA2 GLY -1 HA3 GLY -1 -0.835 -20.416 -6.727 83 HA3 GLY -1 HA2 GLY -1 -2.473 -20.139 -6.144 84 H SER 0 H SER 0 -1.955 -19.454 -3.530 85 HA SER 0 HA SER 0 -0.701 -16.822 -3.817 86 HB2 SER 0 HB3 SER 0 -2.079 -17.821 -1.342 87 HB3 SER 0 HB2 SER 0 -1.928 -16.171 -1.943 88 HG SER 0 HG SER 0 -3.942 -17.830 -2.291 89 H LYS 1 H LYS 1 1.465 -16.986 -3.520 90 HA LYS 1 HA LYS 1 2.806 -18.571 -1.656 91 HB2 LYS 1 HB3 LYS 1 4.019 -17.349 -3.326 92 HB3 LYS 1 HB2 LYS 1 3.436 -15.814 -2.701 93 HG2 LYS 1 HG3 LYS 1 4.747 -16.072 -0.714 94 HG3 LYS 1 HG2 LYS 1 5.198 -17.715 -1.167 95 HD2 LYS 1 HD3 LYS 1 6.412 -16.870 -3.099 96 HD3 LYS 1 HD2 LYS 1 5.922 -15.221 -2.703 97 HE2 LYS 1 HE3 LYS 1 8.200 -15.651 -1.957 98 HE3 LYS 1 HE2 LYS 1 7.131 -15.370 -0.583 99 HZ1 LYS 1 HZ1 LYS 1 8.619 -17.227 -0.186 100 HZ2 LYS 1 HZ2 LYS 1 8.028 -18.030 -1.553 101 HZ3 LYS 1 HZ3 LYS 1 7.015 -17.756 -0.230 102 H THR 2 H THR 2 2.967 -18.476 0.495 103 HA THR 2 HA THR 2 0.922 -17.054 1.840 104 HB THR 2 HB THR 2 3.213 -18.305 3.313 105 HG1 THR 2 HG1 THR 2 1.187 -20.046 2.723 106 HG21 THR 2 HG21 THR 2 1.381 -18.982 4.822 107 HG22 THR 2 HG22 THR 2 0.222 -18.198 3.742 108 HG23 THR 2 HG23 THR 2 1.431 -17.233 4.589 109 H LEU 3 H LEU 3 0.941 -15.203 2.927 110 HA LEU 3 HA LEU 3 2.920 -13.303 2.346 111 HB2 LEU 3 HB3 LEU 3 0.361 -13.319 3.598 112 HB3 LEU 3 HB2 LEU 3 1.475 -12.428 4.614 113 HG LEU 3 HG LEU 3 0.611 -11.811 1.804 114 HD11 LEU 3 HD11 LEU 3 0.136 -9.635 2.798 115 HD12 LEU 3 HD12 LEU 3 0.710 -10.229 4.353 116 HD13 LEU 3 HD13 LEU 3 -0.731 -10.934 3.616 117 HD21 LEU 3 HD21 LEU 3 2.277 -9.938 1.899 118 HD22 LEU 3 HD22 LEU 3 2.967 -11.541 1.666 119 HD23 LEU 3 HD23 LEU 3 3.035 -10.776 3.255 120 HA PRO 4 HA PRO 4 5.939 -14.215 5.546 121 HB2 PRO 4 HB3 PRO 4 6.813 -11.506 4.704 122 HB3 PRO 4 HB2 PRO 4 7.747 -13.000 4.823 123 HG2 PRO 4 HG3 PRO 4 7.017 -11.976 2.452 124 HG3 PRO 4 HG2 PRO 4 7.109 -13.723 2.731 125 HD2 PRO 4 HD3 PRO 4 4.711 -11.955 2.545 126 HD3 PRO 4 HD2 PRO 4 4.916 -13.648 2.049 127 H ASP 5 H ASP 5 5.462 -13.875 7.610 128 HA ASP 5 HA ASP 5 3.594 -12.169 8.645 129 HB2 ASP 5 HB3 ASP 5 6.027 -13.338 9.987 130 HB3 ASP 5 HB2 ASP 5 4.757 -12.489 10.861 131 H LYS 6 H LYS 6 6.886 -11.420 7.874 132 HA LYS 6 HA LYS 6 7.284 -9.132 9.391 133 HB2 LYS 6 HB3 LYS 6 8.276 -9.782 6.615 134 HB3 LYS 6 HB2 LYS 6 8.886 -8.467 7.606 135 HG2 LYS 6 HG3 LYS 6 8.961 -11.351 8.441 136 HG3 LYS 6 HG2 LYS 6 10.285 -10.526 7.619 137 HD2 LYS 6 HD3 LYS 6 10.423 -8.918 9.452 138 HD3 LYS 6 HD2 LYS 6 9.083 -9.725 10.267 139 HE2 LYS 6 HE3 LYS 6 10.390 -11.744 10.501 140 HE3 LYS 6 HE2 LYS 6 11.710 -11.030 9.576 141 HZ1 LYS 6 HZ1 LYS 6 12.104 -10.958 11.971 142 HZ2 LYS 6 HZ2 LYS 6 10.716 -10.018 12.183 143 HZ3 LYS 6 HZ3 LYS 6 12.024 -9.403 11.308 144 H PHE 7 H PHE 7 5.204 -9.561 6.593 145 HA PHE 7 HA PHE 7 5.020 -6.673 6.197 146 HB2 PHE 7 HB3 PHE 7 3.774 -8.984 4.693 147 HB3 PHE 7 HB2 PHE 7 3.530 -7.290 4.290 148 HD1 PHE 7 HD1 PHE 7 6.192 -6.149 4.515 149 HD2 PHE 7 HD2 PHE 7 4.972 -9.930 2.983 150 HE1 PHE 7 HE1 PHE 7 8.187 -6.213 3.084 151 HE2 PHE 7 HE2 PHE 7 6.969 -9.995 1.554 152 HZ PHE 7 HZ PHE 7 8.573 -8.119 1.600 153 H LEU 8 H LEU 8 3.679 -8.773 8.313 154 HA LEU 8 HA LEU 8 0.912 -7.967 7.856 155 HB2 LEU 8 HB3 LEU 8 2.092 -10.092 9.639 156 HB3 LEU 8 HB2 LEU 8 0.377 -9.737 9.512 157 HG LEU 8 HG LEU 8 2.119 -10.688 7.237 158 HD11 LEU 8 HD11 LEU 8 1.730 -12.384 9.000 159 HD12 LEU 8 HD12 LEU 8 1.019 -12.797 7.439 160 HD13 LEU 8 HD13 LEU 8 -0.005 -12.192 8.743 161 HD21 LEU 8 HD21 LEU 8 -0.842 -10.177 7.437 162 HD22 LEU 8 HD22 LEU 8 -0.055 -11.009 6.096 163 HD23 LEU 8 HD23 LEU 8 0.325 -9.319 6.430 164 H GLY 9 H GLY 9 -0.382 -7.189 9.524 165 HA2 GLY 9 HA3 GLY 9 -0.534 -6.359 11.840 166 HA3 GLY 9 HA2 GLY 9 1.121 -5.786 11.646 167 H THR 10 H THR 10 -0.280 -3.815 12.427 168 HA THR 10 HA THR 10 -1.167 -2.409 10.000 169 HB THR 10 HB THR 10 -2.937 -2.701 11.723 170 HG1 THR 10 HG1 THR 10 -2.510 -0.688 10.278 171 HG21 THR 10 HG21 THR 10 -2.763 -1.197 13.725 172 HG22 THR 10 HG22 THR 10 -1.045 -1.056 13.338 173 HG23 THR 10 HG23 THR 10 -1.732 -2.628 13.744 174 H PHE 11 H PHE 11 -0.350 -0.431 9.568 175 HA PHE 11 HA PHE 11 1.848 0.517 11.275 176 HB2 PHE 11 HB3 PHE 11 1.870 0.399 8.253 177 HB3 PHE 11 HB2 PHE 11 3.181 0.959 9.282 178 HD1 PHE 11 HD1 PHE 11 4.583 -0.610 10.475 179 HD2 PHE 11 HD2 PHE 11 1.392 -1.969 8.011 180 HE1 PHE 11 HE1 PHE 11 5.516 -2.885 10.527 181 HE2 PHE 11 HE2 PHE 11 2.317 -4.247 8.061 182 HZ PHE 11 HZ PHE 11 4.383 -4.709 9.320 183 H LYS 12 H LYS 12 1.753 2.642 11.807 184 HA LYS 12 HA LYS 12 0.108 4.389 10.125 185 HB2 LYS 12 HB3 LYS 12 0.498 6.095 11.872 186 HB3 LYS 12 HB2 LYS 12 -0.242 4.636 12.504 187 HG2 LYS 12 HG3 LYS 12 1.300 5.083 14.124 188 HG3 LYS 12 HG2 LYS 12 2.220 3.987 13.097 189 HD2 LYS 12 HD3 LYS 12 3.624 5.836 13.689 190 HD3 LYS 12 HD2 LYS 12 3.218 5.974 11.979 191 HE2 LYS 12 HE3 LYS 12 1.437 7.590 12.587 192 HE3 LYS 12 HE2 LYS 12 1.975 7.501 14.262 193 HZ1 LYS 12 HZ1 LYS 12 3.584 8.451 11.957 194 HZ2 LYS 12 HZ2 LYS 12 4.146 8.320 13.547 195 HZ3 LYS 12 HZ3 LYS 12 2.915 9.417 13.174 196 H LEU 13 H LEU 13 0.933 5.819 8.720 197 HA LEU 13 HA LEU 13 3.556 5.727 7.817 198 HB2 LEU 13 HB3 LEU 13 1.540 6.631 6.618 199 HB3 LEU 13 HB2 LEU 13 1.660 8.071 7.598 200 HG LEU 13 HG LEU 13 2.583 8.118 5.191 201 HD11 LEU 13 HD11 LEU 13 2.905 9.914 6.783 202 HD12 LEU 13 HD12 LEU 13 4.362 9.657 5.822 203 HD13 LEU 13 HD13 LEU 13 4.285 9.069 7.483 204 HD21 LEU 13 HD21 LEU 13 4.878 6.748 6.584 205 HD22 LEU 13 HD22 LEU 13 4.908 7.429 4.959 206 HD23 LEU 13 HD23 LEU 13 3.868 6.050 5.318 207 H GLU 14 H GLU 14 5.418 6.452 8.649 208 HA GLU 14 HA GLU 14 5.301 8.419 10.810 209 HB2 GLU 14 HB3 GLU 14 6.482 6.249 11.180 210 HB3 GLU 14 HB2 GLU 14 7.643 6.716 9.945 211 HG2 GLU 14 HG3 GLU 14 8.437 8.529 11.257 212 HG3 GLU 14 HG2 GLU 14 7.123 8.344 12.417 213 H ARG 15 H ARG 15 7.013 7.815 7.734 214 HA ARG 15 HA ARG 15 7.194 10.679 7.324 215 HB2 ARG 15 HB3 ARG 15 9.556 10.804 7.080 216 HB3 ARG 15 HB2 ARG 15 9.260 10.015 8.624 217 HG2 ARG 15 HG3 ARG 15 9.772 7.874 7.705 218 HG3 ARG 15 HG2 ARG 15 9.863 8.542 6.074 219 HD2 ARG 15 HD3 ARG 15 11.675 9.230 8.366 220 HD3 ARG 15 HD2 ARG 15 12.072 8.159 7.033 221 HE ARG 15 HE ARG 15 11.824 10.153 5.571 222 HH11 ARG 15 HH11 ARG 15 12.450 10.589 8.987 223 HH12 ARG 15 HH12 ARG 15 13.256 12.107 8.773 224 HH21 ARG 15 HH21 ARG 15 12.897 12.147 5.280 225 HH22 ARG 15 HH22 ARG 15 13.517 12.991 6.672 226 H ASP 16 H ASP 16 8.558 11.017 5.190 227 HA ASP 16 HA ASP 16 8.213 8.904 3.244 228 HB2 ASP 16 HB3 ASP 16 6.786 10.211 1.736 229 HB3 ASP 16 HB2 ASP 16 5.963 9.914 3.262 230 H GLU 17 H GLU 17 9.265 9.393 1.238 231 HA GLU 17 HA GLU 17 11.048 11.724 1.340 232 HB2 GLU 17 HB3 GLU 17 11.818 8.849 0.852 233 HB3 GLU 17 HB2 GLU 17 12.846 10.197 0.390 234 HG2 GLU 17 HG3 GLU 17 11.909 9.625 3.191 235 HG3 GLU 17 HG2 GLU 17 13.483 9.179 2.533 236 H ASN 18 H ASN 18 10.707 12.900 -0.409 237 HA ASN 18 HA ASN 18 10.519 13.543 -2.579 238 HB2 ASN 18 HB3 ASN 18 12.348 11.701 -2.764 239 HB3 ASN 18 HB2 ASN 18 11.073 10.725 -3.479 240 HD21 ASN 18 HD21 ASN 18 10.454 11.106 -5.550 241 HD22 ASN 18 HD22 ASN 18 11.201 12.285 -6.574 242 H PHE 19 H PHE 19 8.295 12.620 -1.086 243 HA PHE 19 HA PHE 19 6.597 11.021 -2.775 244 HB2 PHE 19 HB3 PHE 19 6.443 10.973 -0.288 245 HB3 PHE 19 HB2 PHE 19 5.849 12.628 -0.324 246 HD1 PHE 19 HD1 PHE 19 5.061 9.454 -2.132 247 HD2 PHE 19 HD2 PHE 19 3.605 12.810 0.036 248 HE1 PHE 19 HE1 PHE 19 2.763 8.622 -2.390 249 HE2 PHE 19 HE2 PHE 19 1.305 11.981 -0.214 250 HZ PHE 19 HZ PHE 19 0.883 9.878 -1.456 251 H ASP 20 H ASP 20 6.831 14.441 -1.880 252 HA ASP 20 HA ASP 20 4.687 15.470 -3.290 253 HB2 ASP 20 HB3 ASP 20 6.225 16.739 -1.766 254 HB3 ASP 20 HB2 ASP 20 7.426 16.739 -3.052 255 H GLU 21 H GLU 21 8.036 15.104 -4.428 256 HA GLU 21 HA GLU 21 7.747 15.803 -7.068 257 HB2 GLU 21 HB3 GLU 21 9.509 13.761 -5.751 258 HB3 GLU 21 HB2 GLU 21 9.611 14.098 -7.472 259 HG2 GLU 21 HG3 GLU 21 11.294 15.339 -6.325 260 HG3 GLU 21 HG2 GLU 21 10.088 16.452 -6.949 261 H TYR 22 H TYR 22 7.230 12.584 -5.627 262 HA TYR 22 HA TYR 22 6.606 11.246 -8.007 263 HB2 TYR 22 HB3 TYR 22 7.056 10.015 -5.976 264 HB3 TYR 22 HB2 TYR 22 5.649 10.722 -5.191 265 HD1 TYR 22 HD1 TYR 22 3.525 9.724 -5.398 266 HD2 TYR 22 HD2 TYR 22 6.683 8.491 -7.968 267 HE1 TYR 22 HE1 TYR 22 2.133 7.870 -6.212 268 HE2 TYR 22 HE2 TYR 22 5.302 6.629 -8.779 269 HH TYR 22 HH TYR 22 1.926 6.368 -8.001 270 H LEU 23 H LEU 23 4.583 13.177 -5.857 271 HA LEU 23 HA LEU 23 2.092 12.432 -6.967 272 HB2 LEU 23 HB3 LEU 23 2.938 14.954 -5.542 273 HB3 LEU 23 HB2 LEU 23 1.276 14.561 -5.946 274 HG LEU 23 HG LEU 23 3.047 12.921 -4.134 275 HD11 LEU 23 HD11 LEU 23 0.758 14.760 -3.473 276 HD12 LEU 23 HD12 LEU 23 2.459 15.057 -3.124 277 HD13 LEU 23 HD13 LEU 23 1.617 13.726 -2.333 278 HD21 LEU 23 HD21 LEU 23 1.006 11.701 -3.613 279 HD22 LEU 23 HD22 LEU 23 1.383 11.591 -5.331 280 HD23 LEU 23 HD23 LEU 23 0.111 12.679 -4.777 281 H LYS 24 H LYS 24 4.425 14.943 -7.759 282 HA LYS 24 HA LYS 24 2.879 16.234 -9.749 283 HB2 LYS 24 HB3 LYS 24 5.887 16.032 -9.507 284 HB3 LYS 24 HB2 LYS 24 5.007 17.192 -10.489 285 HG2 LYS 24 HG3 LYS 24 4.038 18.170 -8.473 286 HG3 LYS 24 HG2 LYS 24 4.925 17.006 -7.487 287 HD2 LYS 24 HD3 LYS 24 6.091 19.133 -7.519 288 HD3 LYS 24 HD2 LYS 24 7.041 17.909 -8.365 289 HE2 LYS 24 HE3 LYS 24 6.185 18.758 -10.508 290 HE3 LYS 24 HE2 LYS 24 5.288 20.005 -9.643 291 HZ1 LYS 24 HZ1 LYS 24 8.236 19.690 -9.567 292 HZ2 LYS 24 HZ2 LYS 24 7.341 20.941 -8.870 293 HZ3 LYS 24 HZ3 LYS 24 7.414 20.789 -10.553 294 H ALA 25 H ALA 25 5.382 13.749 -9.879 295 HA ALA 25 HA ALA 25 5.473 13.291 -12.612 296 HB1 ALA 25 HB1 ALA 25 7.052 12.321 -11.010 297 HB2 ALA 25 HB2 ALA 25 6.374 11.093 -12.079 298 HB3 ALA 25 HB3 ALA 25 5.787 11.241 -10.422 299 H ARG 26 H ARG 26 3.330 11.850 -10.201 300 HA ARG 26 HA ARG 26 2.039 10.105 -12.054 301 HB2 ARG 26 HB3 ARG 26 1.659 10.829 -9.214 302 HB3 ARG 26 HB2 ARG 26 0.252 10.194 -10.056 303 HG2 ARG 26 HG3 ARG 26 2.931 8.835 -9.909 304 HG3 ARG 26 HG2 ARG 26 1.540 8.458 -8.890 305 HD2 ARG 26 HD3 ARG 26 1.645 8.233 -11.898 306 HD3 ARG 26 HD2 ARG 26 1.733 6.893 -10.759 307 HE ARG 26 HE ARG 26 -0.568 7.714 -10.035 308 HH11 ARG 26 HH11 ARG 26 0.639 7.954 -13.318 309 HH12 ARG 26 HH12 ARG 26 -0.941 7.895 -14.045 310 HH21 ARG 26 HH21 ARG 26 -2.649 7.637 -10.997 311 HH22 ARG 26 HH22 ARG 26 -2.807 7.726 -12.730 312 H GLY 27 H GLY 27 1.828 13.392 -11.759 313 HA2 GLY 27 HA3 GLY 27 0.529 14.724 -13.174 314 HA3 GLY 27 HA2 GLY 27 -0.546 13.359 -13.437 315 H TYR 28 H TYR 28 0.314 14.205 -10.185 316 HA TYR 28 HA TYR 28 -2.401 15.136 -9.706 317 HB2 TYR 28 HB3 TYR 28 -0.080 14.536 -7.866 318 HB3 TYR 28 HB2 TYR 28 -1.580 15.259 -7.299 319 HD1 TYR 28 HD1 TYR 28 0.134 12.239 -7.991 320 HD2 TYR 28 HD2 TYR 28 -3.756 13.933 -7.765 321 HE1 TYR 28 HE1 TYR 28 -0.814 9.992 -7.761 322 HE2 TYR 28 HE2 TYR 28 -4.729 11.686 -7.530 323 HH TYR 28 HH TYR 28 -4.163 9.367 -8.015 324 H GLY 29 H GLY 29 -2.913 17.219 -9.698 325 HA2 GLY 29 HA3 GLY 29 -0.869 19.216 -10.065 326 HA3 GLY 29 HA2 GLY 29 -2.605 19.493 -9.980 327 H TRP 30 H TRP 30 -1.532 21.375 -8.683 328 HA TRP 30 HA TRP 30 -0.397 20.974 -6.185 329 HB2 TRP 30 HB3 TRP 30 -0.417 23.198 -7.106 330 HB3 TRP 30 HB2 TRP 30 -2.182 23.231 -7.126 331 HD1 TRP 30 HD1 TRP 30 0.785 23.459 -4.702 332 HE1 TRP 30 HE1 TRP 30 -0.047 24.412 -2.460 333 HE3 TRP 30 HE3 TRP 30 -4.242 23.547 -5.659 334 HZ2 TRP 30 HZ2 TRP 30 -2.510 25.096 -1.275 335 HZ3 TRP 30 HZ3 TRP 30 -5.760 24.372 -3.918 336 HH2 TRP 30 HH2 TRP 30 -4.910 25.134 -1.766 337 H ILE 31 H ILE 31 -3.795 21.030 -7.111 338 HA ILE 31 HA ILE 31 -4.905 21.299 -4.562 339 HB ILE 31 HB ILE 31 -6.004 20.018 -7.056 340 HG12 ILE 31 HG13 ILE 31 -7.518 22.026 -6.940 341 HG13 ILE 31 HG12 ILE 31 -6.526 22.618 -5.612 342 HG21 ILE 31 HG21 ILE 31 -8.208 20.038 -5.902 343 HG22 ILE 31 HG22 ILE 31 -7.354 20.375 -4.394 344 HG23 ILE 31 HG23 ILE 31 -7.060 18.862 -5.257 345 HD11 ILE 31 HD11 ILE 31 -5.694 22.162 -8.452 346 HD12 ILE 31 HD12 ILE 31 -4.571 22.510 -7.141 347 HD13 ILE 31 HD13 ILE 31 -5.800 23.697 -7.586 348 H MET 32 H MET 32 -4.403 18.357 -6.474 349 HA MET 32 HA MET 32 -5.114 16.643 -4.384 350 HB2 MET 32 HB3 MET 32 -3.586 16.225 -6.935 351 HB3 MET 32 HB2 MET 32 -3.853 14.909 -5.794 352 HG2 MET 32 HG3 MET 32 -6.271 16.341 -6.343 353 HG3 MET 32 HG2 MET 32 -5.558 15.728 -7.823 354 HE1 MET 32 HE1 MET 32 -6.915 13.250 -4.200 355 HE2 MET 32 HE2 MET 32 -6.854 15.016 -4.304 356 HE3 MET 32 HE3 MET 32 -5.359 14.085 -4.185 357 H ARG 33 H ARG 33 -2.003 17.825 -5.544 358 HA ARG 33 HA ARG 33 -0.354 16.261 -3.927 359 HB2 ARG 33 HB3 ARG 33 0.291 17.715 -5.889 360 HB3 ARG 33 HB2 ARG 33 0.198 19.093 -4.800 361 HG2 ARG 33 HG3 ARG 33 2.029 18.355 -3.537 362 HG3 ARG 33 HG2 ARG 33 1.958 16.734 -4.239 363 HD2 ARG 33 HD3 ARG 33 3.801 17.999 -5.193 364 HD3 ARG 33 HD2 ARG 33 2.581 17.652 -6.415 365 HE ARG 33 HE ARG 33 2.859 20.272 -5.076 366 HH11 ARG 33 HH11 ARG 33 2.107 18.342 -7.901 367 HH12 ARG 33 HH12 ARG 33 1.954 19.707 -8.957 368 HH21 ARG 33 HH21 ARG 33 2.620 22.078 -6.462 369 HH22 ARG 33 HH22 ARG 33 2.230 21.830 -8.135 370 H GLN 34 H GLN 34 -2.113 19.201 -3.273 371 HA GLN 34 HA GLN 34 -0.919 19.751 -0.751 372 HB2 GLN 34 HB3 GLN 34 -2.276 21.314 -2.300 373 HB3 GLN 34 HB2 GLN 34 -3.694 20.571 -1.583 374 HG2 GLN 34 HG3 GLN 34 -1.559 21.936 0.031 375 HG3 GLN 34 HG2 GLN 34 -2.972 22.765 -0.602 376 HE21 GLN 34 HE21 GLN 34 -4.793 20.580 -0.183 377 HE22 GLN 34 HE22 GLN 34 -5.048 20.450 1.523 378 H VAL 35 H VAL 35 -3.906 18.109 -1.779 379 HA VAL 35 HA VAL 35 -4.909 17.689 0.846 380 HB VAL 35 HB VAL 35 -5.585 16.472 -1.836 381 HG11 VAL 35 HG11 VAL 35 -7.570 15.513 -0.849 382 HG12 VAL 35 HG12 VAL 35 -7.111 16.130 0.739 383 HG13 VAL 35 HG13 VAL 35 -6.137 14.880 -0.037 384 HG21 VAL 35 HG21 VAL 35 -7.596 17.860 -1.637 385 HG22 VAL 35 HG22 VAL 35 -6.117 18.820 -1.612 386 HG23 VAL 35 HG23 VAL 35 -6.988 18.501 -0.112 387 H ILE 36 H ILE 36 -3.556 15.490 -1.558 388 HA ILE 36 HA ILE 36 -3.447 13.131 -0.278 389 HB ILE 36 HB ILE 36 -1.430 14.353 -2.128 390 HG12 ILE 36 HG13 ILE 36 -3.723 12.436 -2.555 391 HG13 ILE 36 HG12 ILE 36 -3.806 14.164 -2.849 392 HG21 ILE 36 HG21 ILE 36 -0.685 12.092 -2.599 393 HG22 ILE 36 HG22 ILE 36 -1.793 11.460 -1.383 394 HG23 ILE 36 HG23 ILE 36 -0.439 12.477 -0.897 395 HD11 ILE 36 HD11 ILE 36 -1.909 13.808 -4.489 396 HD12 ILE 36 HD12 ILE 36 -3.510 13.207 -4.936 397 HD13 ILE 36 HD13 ILE 36 -2.272 12.084 -4.345 398 H LYS 37 H LYS 37 -1.092 15.756 0.195 399 HA LYS 37 HA LYS 37 0.529 14.090 1.898 400 HB2 LYS 37 HB3 LYS 37 0.697 17.044 1.310 401 HB3 LYS 37 HB2 LYS 37 1.882 16.135 2.242 402 HG2 LYS 37 HG3 LYS 37 2.212 14.680 0.232 403 HG3 LYS 37 HG2 LYS 37 1.194 15.803 -0.668 404 HD2 LYS 37 HD3 LYS 37 3.784 16.469 0.724 405 HD3 LYS 37 HD2 LYS 37 3.554 16.295 -1.015 406 HE2 LYS 37 HE3 LYS 37 2.004 18.187 -0.998 407 HE3 LYS 37 HE2 LYS 37 2.225 18.356 0.742 408 HZ1 LYS 37 HZ1 LYS 37 3.600 19.929 -0.406 409 HZ2 LYS 37 HZ2 LYS 37 4.308 18.710 -1.346 410 HZ3 LYS 37 HZ3 LYS 37 4.594 18.769 0.325 411 H LEU 38 H LEU 38 -2.247 15.981 2.355 412 HA LEU 38 HA LEU 38 -1.787 16.340 5.212 413 HB2 LEU 38 HB3 LEU 38 -3.835 17.234 3.259 414 HB3 LEU 38 HB2 LEU 38 -4.368 17.015 4.913 415 HG LEU 38 HG LEU 38 -3.748 19.347 4.399 416 HD11 LEU 38 HD11 LEU 38 -2.354 19.717 6.361 417 HD12 LEU 38 HD12 LEU 38 -1.939 18.005 6.401 418 HD13 LEU 38 HD13 LEU 38 -3.602 18.515 6.689 419 HD21 LEU 38 HD21 LEU 38 -0.973 18.223 4.057 420 HD22 LEU 38 HD22 LEU 38 -1.396 19.936 4.102 421 HD23 LEU 38 HD23 LEU 38 -1.979 18.917 2.785 422 H ALA 39 H ALA 39 -2.346 13.767 3.472 423 HA ALA 39 HA ALA 39 -4.473 12.662 5.150 424 HB1 ALA 39 HB1 ALA 39 -4.660 10.901 3.491 425 HB2 ALA 39 HB2 ALA 39 -3.284 11.558 2.609 426 HB3 ALA 39 HB3 ALA 39 -4.781 12.482 2.724 427 H GLY 40 H GLY 40 -3.628 11.870 6.986 428 HA2 GLY 40 HA3 GLY 40 -1.159 10.452 7.149 429 HA3 GLY 40 HA2 GLY 40 -2.436 10.452 8.361 430 H VAL 41 H VAL 41 -0.755 8.275 6.970 431 HA VAL 41 HA VAL 41 -2.998 6.755 5.802 432 HB VAL 41 HB VAL 41 -0.085 6.487 5.063 433 HG11 VAL 41 HG11 VAL 41 -0.942 5.120 3.207 434 HG12 VAL 41 HG12 VAL 41 -2.571 5.268 3.867 435 HG13 VAL 41 HG13 VAL 41 -1.324 4.416 4.779 436 HG21 VAL 41 HG21 VAL 41 -0.672 7.567 2.970 437 HG22 VAL 41 HG22 VAL 41 -1.014 8.631 4.334 438 HG23 VAL 41 HG23 VAL 41 -2.330 7.781 3.528 439 H THR 42 H THR 42 -3.557 4.960 6.768 440 HA THR 42 HA THR 42 -1.596 3.595 8.495 441 HB THR 42 HB THR 42 -4.613 3.535 8.706 442 HG1 THR 42 HG1 THR 42 -3.739 5.548 9.354 443 HG21 THR 42 HG21 THR 42 -3.575 1.477 9.502 444 HG22 THR 42 HG22 THR 42 -4.203 2.414 10.856 445 HG23 THR 42 HG23 THR 42 -2.473 2.407 10.515 446 H LYS 43 H LYS 43 -0.870 1.756 7.663 447 HA LYS 43 HA LYS 43 -2.439 0.296 5.674 448 HB2 LYS 43 HB3 LYS 43 0.361 -0.186 6.727 449 HB3 LYS 43 HB2 LYS 43 -0.394 -1.063 5.405 450 HG2 LYS 43 HG3 LYS 43 0.117 1.902 5.375 451 HG3 LYS 43 HG2 LYS 43 1.220 0.698 4.704 452 HD2 LYS 43 HD3 LYS 43 -0.487 -0.037 3.148 453 HD3 LYS 43 HD2 LYS 43 -1.651 1.083 3.857 454 HE2 LYS 43 HE3 LYS 43 -0.288 2.966 3.155 455 HE3 LYS 43 HE2 LYS 43 0.924 1.868 2.500 456 HZ1 LYS 43 HZ1 LYS 43 -0.637 2.858 0.837 457 HZ2 LYS 43 HZ2 LYS 43 -1.882 1.942 1.543 458 HZ3 LYS 43 HZ3 LYS 43 -0.568 1.159 0.824 459 H LYS 44 H LYS 44 -3.184 -1.816 6.002 460 HA LYS 44 HA LYS 44 -2.717 -3.028 8.633 461 HB2 LYS 44 HB3 LYS 44 -5.443 -2.601 7.396 462 HB3 LYS 44 HB2 LYS 44 -5.134 -3.589 8.815 463 HG2 LYS 44 HG3 LYS 44 -4.317 -1.611 10.004 464 HG3 LYS 44 HG2 LYS 44 -4.660 -0.626 8.581 465 HD2 LYS 44 HD3 LYS 44 -7.028 -1.192 8.755 466 HD3 LYS 44 HD2 LYS 44 -6.690 -2.199 10.165 467 HE2 LYS 44 HE3 LYS 44 -6.181 0.766 9.976 468 HE3 LYS 44 HE2 LYS 44 -7.562 0.023 10.778 469 HZ1 LYS 44 HZ1 LYS 44 -4.720 -0.414 11.536 470 HZ2 LYS 44 HZ2 LYS 44 -6.075 -1.037 12.332 471 HZ3 LYS 44 HZ3 LYS 44 -5.789 0.628 12.329 472 H PHE 45 H PHE 45 -1.618 -4.772 7.942 473 HA PHE 45 HA PHE 45 -2.824 -6.430 5.820 474 HB2 PHE 45 HB3 PHE 45 -0.012 -6.368 6.922 475 HB3 PHE 45 HB2 PHE 45 -0.599 -7.623 5.840 476 HD1 PHE 45 HD1 PHE 45 0.365 -4.108 6.129 477 HD2 PHE 45 HD2 PHE 45 -0.971 -7.186 3.505 478 HE1 PHE 45 HE1 PHE 45 0.989 -2.726 4.193 479 HE2 PHE 45 HE2 PHE 45 -0.354 -5.804 1.568 480 HZ PHE 45 HZ PHE 45 0.630 -3.575 1.910 481 H ARG 46 H ARG 46 -3.708 -8.330 6.347 482 HA ARG 46 HA ARG 46 -2.848 -9.814 8.661 483 HB2 ARG 46 HB3 ARG 46 -5.062 -9.813 9.755 484 HB3 ARG 46 HB2 ARG 46 -4.324 -8.217 9.746 485 HG2 ARG 46 HG3 ARG 46 -5.725 -7.598 7.826 486 HG3 ARG 46 HG2 ARG 46 -6.481 -9.193 7.888 487 HD2 ARG 46 HD3 ARG 46 -7.286 -8.725 10.144 488 HD3 ARG 46 HD2 ARG 46 -6.520 -7.138 10.093 489 HE ARG 46 HE ARG 46 -8.232 -7.339 7.890 490 HH11 ARG 46 HH11 ARG 46 -8.410 -7.179 11.385 491 HH12 ARG 46 HH12 ARG 46 -9.997 -6.484 11.399 492 HH21 ARG 46 HH21 ARG 46 -10.300 -6.431 7.904 493 HH22 ARG 46 HH22 ARG 46 -11.076 -6.038 9.406 494 H ASN 47 H ASN 47 -4.253 -11.748 8.955 495 HA ASN 47 HA ASN 47 -4.711 -13.149 6.523 496 HB2 ASN 47 HB3 ASN 47 -5.594 -13.706 9.360 497 HB3 ASN 47 HB2 ASN 47 -5.886 -14.817 8.026 498 HD21 ASN 47 HD21 ASN 47 -3.542 -13.468 10.171 499 HD22 ASN 47 HD22 ASN 47 -2.240 -14.526 9.755 500 H ALA 48 H ALA 48 -6.845 -13.883 5.672 501 HA ALA 48 HA ALA 48 -8.527 -11.759 5.178 502 HB1 ALA 48 HB1 ALA 48 -10.076 -13.384 4.249 503 HB2 ALA 48 HB2 ALA 48 -9.226 -14.689 5.078 504 HB3 ALA 48 HB3 ALA 48 -8.416 -13.779 3.800 505 H ALA 49 H ALA 49 -10.255 -10.905 6.073 506 HA ALA 49 HA ALA 49 -10.564 -11.218 8.864 507 HB1 ALA 49 HB1 ALA 49 -12.341 -9.711 6.962 508 HB2 ALA 49 HB2 ALA 49 -10.834 -9.089 7.633 509 HB3 ALA 49 HB3 ALA 49 -12.189 -9.460 8.700 510 H SER 50 H SER 50 -12.384 -12.343 6.080 511 HA SER 50 HA SER 50 -14.641 -13.338 7.342 512 HB2 SER 50 HB3 SER 50 -14.718 -14.841 5.320 513 HB3 SER 50 HB2 SER 50 -14.506 -13.125 4.956 514 HG SER 50 HG SER 50 -12.848 -13.825 3.843 515 H GLY 51 H GLY 51 -11.525 -14.272 8.007 516 HA2 GLY 51 HA3 GLY 51 -10.694 -16.055 9.202 517 HA3 GLY 51 HA2 GLY 51 -12.332 -16.684 9.309 518 H LYS 52 H LYS 52 -11.157 -15.975 6.164 519 HA LYS 52 HA LYS 52 -11.153 -18.820 5.544 520 HB2 LYS 52 HB3 LYS 52 -11.112 -16.347 3.817 521 HB3 LYS 52 HB2 LYS 52 -10.914 -17.967 3.160 522 HG2 LYS 52 HG3 LYS 52 -13.123 -18.551 4.196 523 HG3 LYS 52 HG2 LYS 52 -13.316 -16.838 4.574 524 HD2 LYS 52 HD3 LYS 52 -14.472 -17.339 2.511 525 HD3 LYS 52 HD2 LYS 52 -13.074 -16.318 2.165 526 HE2 LYS 52 HE3 LYS 52 -11.803 -18.263 1.450 527 HE3 LYS 52 HE2 LYS 52 -13.148 -19.320 1.869 528 HZ1 LYS 52 HZ1 LYS 52 -13.075 -18.878 -0.500 529 HZ2 LYS 52 HZ2 LYS 52 -13.196 -17.215 -0.225 530 HZ3 LYS 52 HZ3 LYS 52 -14.482 -18.232 0.175 531 HA PRO 53 HA PRO 53 -6.744 -19.008 5.657 532 HB2 PRO 53 HB3 PRO 53 -6.416 -21.446 4.578 533 HB3 PRO 53 HB2 PRO 53 -7.116 -21.228 6.187 534 HG2 PRO 53 HG3 PRO 53 -8.494 -21.711 3.574 535 HG3 PRO 53 HG2 PRO 53 -8.807 -22.452 5.154 536 HD2 PRO 53 HD3 PRO 53 -10.290 -20.396 4.149 537 HD3 PRO 53 HD2 PRO 53 -10.040 -20.658 5.889 538 H ASP 54 H ASP 54 -4.993 -18.725 4.333 539 HA ASP 54 HA ASP 54 -3.671 -18.703 2.461 540 HB2 ASP 54 HB3 ASP 54 -5.051 -20.519 1.441 541 HB3 ASP 54 HB2 ASP 54 -6.163 -19.294 0.840 542 H ARG 55 H ARG 55 -6.884 -17.429 1.776 543 HA ARG 55 HA ARG 55 -6.145 -14.994 0.663 544 HB2 ARG 55 HB3 ARG 55 -8.552 -15.690 2.341 545 HB3 ARG 55 HB2 ARG 55 -8.384 -14.205 1.414 546 HG2 ARG 55 HG3 ARG 55 -8.276 -15.476 -0.645 547 HG3 ARG 55 HG2 ARG 55 -8.378 -16.985 0.266 548 HD2 ARG 55 HD3 ARG 55 -10.576 -16.526 0.973 549 HD3 ARG 55 HD2 ARG 55 -10.467 -14.842 0.469 550 HE ARG 55 HE ARG 55 -10.224 -16.823 -1.637 551 HH11 ARG 55 HH11 ARG 55 -12.332 -14.694 0.173 552 HH12 ARG 55 HH12 ARG 55 -13.496 -14.556 -1.116 553 HH21 ARG 55 HH21 ARG 55 -11.759 -16.639 -3.331 554 HH22 ARG 55 HH22 ARG 55 -13.164 -15.646 -3.105 555 H TYR 56 H TYR 56 -5.867 -12.928 1.455 556 HA TYR 56 HA TYR 56 -5.658 -12.644 4.372 557 HB2 TYR 56 HB3 TYR 56 -3.849 -11.568 2.210 558 HB3 TYR 56 HB2 TYR 56 -3.869 -10.897 3.837 559 HD1 TYR 56 HD1 TYR 56 -2.883 -13.765 1.776 560 HD2 TYR 56 HD2 TYR 56 -3.021 -12.190 5.723 561 HE1 TYR 56 HE1 TYR 56 -1.306 -15.491 2.515 562 HE2 TYR 56 HE2 TYR 56 -1.443 -13.916 6.469 563 HH TYR 56 HH TYR 56 -0.713 -16.165 5.768 564 H ASP 57 H ASP 57 -5.620 -10.158 4.887 565 HA ASP 57 HA ASP 57 -7.653 -8.783 3.259 566 HB2 ASP 57 HB3 ASP 57 -8.780 -9.848 5.177 567 HB3 ASP 57 HB2 ASP 57 -7.676 -9.044 6.280 568 H MET 58 H MET 58 -7.331 -6.587 3.053 569 HA MET 58 HA MET 58 -5.092 -5.392 4.531 570 HB2 MET 58 HB3 MET 58 -3.952 -6.181 2.623 571 HB3 MET 58 HB2 MET 58 -5.273 -5.750 1.548 572 HG2 MET 58 HG3 MET 58 -3.353 -4.281 1.261 573 HG3 MET 58 HG2 MET 58 -4.772 -3.399 1.828 574 HE1 MET 58 HE1 MET 58 -1.872 -1.430 3.460 575 HE2 MET 58 HE2 MET 58 -3.327 -1.351 2.464 576 HE3 MET 58 HE3 MET 58 -1.888 -2.191 1.867 577 H GLU 59 H GLU 59 -5.416 -3.300 5.050 578 HA GLU 59 HA GLU 59 -7.533 -1.847 3.625 579 HB2 GLU 59 HB3 GLU 59 -8.509 -2.687 5.695 580 HB3 GLU 59 HB2 GLU 59 -7.193 -1.989 6.626 581 HG2 GLU 59 HG3 GLU 59 -7.918 0.240 6.066 582 HG3 GLU 59 HG2 GLU 59 -9.162 -0.403 4.998 583 H ASN 60 H ASN 60 -7.304 0.339 3.413 584 HA ASN 60 HA ASN 60 -4.833 1.554 4.474 585 HB2 ASN 60 HB3 ASN 60 -6.061 2.184 1.779 586 HB3 ASN 60 HB2 ASN 60 -4.593 2.875 2.448 587 HD21 ASN 60 HD21 ASN 60 -6.022 0.169 0.866 588 HD22 ASN 60 HD22 ASN 60 -4.548 -0.667 0.527 589 H LEU 61 H LEU 61 -5.603 2.844 6.036 590 HA LEU 61 HA LEU 61 -8.007 4.436 5.485 591 HB2 LEU 61 HB3 LEU 61 -6.538 3.878 8.058 592 HB3 LEU 61 HB2 LEU 61 -7.888 4.986 7.928 593 HG LEU 61 HG LEU 61 -8.006 2.024 7.360 594 HD11 LEU 61 HD11 LEU 61 -7.689 2.520 9.728 595 HD12 LEU 61 HD12 LEU 61 -9.312 1.907 9.413 596 HD13 LEU 61 HD13 LEU 61 -9.058 3.631 9.681 597 HD21 LEU 61 HD21 LEU 61 -9.595 3.278 6.003 598 HD22 LEU 61 HD22 LEU 61 -10.178 4.119 7.437 599 HD23 LEU 61 HD23 LEU 61 -10.433 2.382 7.270 600 H THR 62 H THR 62 -7.955 6.605 5.329 601 HA THR 62 HA THR 62 -5.480 8.012 5.978 602 HB THR 62 HB THR 62 -5.501 9.263 3.902 603 HG1 THR 62 HG1 THR 62 -7.137 7.938 2.343 604 HG21 THR 62 HG21 THR 62 -5.693 6.310 3.335 605 HG22 THR 62 HG22 THR 62 -4.250 7.162 3.883 606 HG23 THR 62 HG23 THR 62 -4.932 7.511 2.294 607 H THR 63 H THR 63 -6.183 10.548 5.308 608 HA THR 63 HA THR 63 -8.425 10.994 7.110 609 HB THR 63 HB THR 63 -7.661 13.296 7.236 610 HG1 THR 63 HG1 THR 63 -5.667 13.815 6.026 611 HG21 THR 63 HG21 THR 63 -5.363 12.903 8.092 612 HG22 THR 63 HG22 THR 63 -5.411 11.289 7.380 613 HG23 THR 63 HG23 THR 63 -6.530 11.716 8.676 614 H LYS 64 H LYS 64 -7.925 10.746 3.822 615 HA LYS 64 HA LYS 64 -10.246 12.472 3.254 616 HB2 LYS 64 HB3 LYS 64 -7.832 11.959 1.512 617 HB3 LYS 64 HB2 LYS 64 -9.252 12.871 1.018 618 HG2 LYS 64 HG3 LYS 64 -7.458 13.610 3.322 619 HG3 LYS 64 HG2 LYS 64 -7.353 14.293 1.698 620 HD2 LYS 64 HD3 LYS 64 -9.622 15.162 1.901 621 HD3 LYS 64 HD2 LYS 64 -9.766 14.441 3.506 622 HE2 LYS 64 HE3 LYS 64 -7.777 16.565 2.708 623 HE3 LYS 64 HE2 LYS 64 -9.269 16.842 3.604 624 HZ1 LYS 64 HZ1 LYS 64 -7.046 15.107 4.534 625 HZ2 LYS 64 HZ2 LYS 64 -8.443 15.503 5.400 626 HZ3 LYS 64 HZ3 LYS 64 -7.303 16.698 5.044 627 H LYS 65 H LYS 65 -9.019 9.323 3.158 628 HA LYS 65 HA LYS 65 -11.205 8.483 1.409 629 HB2 LYS 65 HB3 LYS 65 -8.294 7.839 1.001 630 HB3 LYS 65 HB2 LYS 65 -9.569 6.845 0.321 631 HG2 LYS 65 HG3 LYS 65 -9.702 9.744 -0.213 632 HG3 LYS 65 HG2 LYS 65 -8.425 8.831 -1.016 633 HD2 LYS 65 HD3 LYS 65 -10.358 8.921 -2.451 634 HD3 LYS 65 HD2 LYS 65 -10.140 7.271 -1.884 635 HE2 LYS 65 HE3 LYS 65 -12.480 7.854 -1.841 636 HE3 LYS 65 HE2 LYS 65 -11.887 7.643 -0.200 637 HZ1 LYS 65 HZ1 LYS 65 -11.721 10.070 -0.014 638 HZ2 LYS 65 HZ2 LYS 65 -13.302 9.569 -0.343 639 HZ3 LYS 65 HZ3 LYS 65 -12.355 10.232 -1.576 640 H ASP 66 H ASP 66 -10.046 5.807 1.333 641 HA ASP 66 HA ASP 66 -9.850 4.432 3.606 642 HB2 ASP 66 HB3 ASP 66 -12.094 3.854 4.404 643 HB3 ASP 66 HB2 ASP 66 -11.785 5.569 4.582 644 H THR 67 H THR 67 -9.297 2.567 2.765 645 HA THR 67 HA THR 67 -10.999 1.381 0.685 646 HB THR 67 HB THR 67 -9.063 0.717 -0.632 647 HG1 THR 67 HG1 THR 67 -7.650 1.919 1.508 648 HG21 THR 67 HG21 THR 67 -8.948 3.659 0.036 649 HG22 THR 67 HG22 THR 67 -10.028 2.908 -1.137 650 HG23 THR 67 HG23 THR 67 -8.286 2.911 -1.418 651 H HIS 68 H HIS 68 -11.050 -0.913 0.729 652 HA HIS 68 HA HIS 68 -9.428 -2.238 2.734 653 HB2 HIS 68 HB3 HIS 68 -11.560 -1.329 3.836 654 HB3 HIS 68 HB2 HIS 68 -12.419 -2.544 2.896 655 HD1 HIS 68 HD1 HIS 68 -11.334 -2.141 6.153 656 HD2 HIS 68 HD2 HIS 68 -10.763 -5.182 3.380 657 HE1 HIS 68 HE1 HIS 68 -10.786 -4.192 7.494 658 HE2 HIS 68 HE2 HIS 68 -10.163 -5.931 5.777 659 H HIS 69 H HIS 69 -8.540 -3.640 1.369 660 HA HIS 69 HA HIS 69 -10.056 -4.962 -0.706 661 HB2 HIS 69 HB3 HIS 69 -7.270 -5.668 0.212 662 HB3 HIS 69 HB2 HIS 69 -8.000 -5.982 -1.355 663 HD1 HIS 69 HD1 HIS 69 -8.923 -3.212 -2.209 664 HD2 HIS 69 HD2 HIS 69 -5.318 -3.922 -0.267 665 HE1 HIS 69 HE1 HIS 69 -7.404 -1.332 -2.889 666 HE2 HIS 69 HE2 HIS 69 -5.146 -1.963 -1.939 667 H LYS 70 H LYS 70 -11.628 -6.098 0.515 668 HA LYS 70 HA LYS 70 -10.865 -7.977 2.529 669 HB2 LYS 70 HB3 LYS 70 -13.455 -8.205 1.072 670 HB3 LYS 70 HB2 LYS 70 -13.113 -8.389 2.785 671 HG2 LYS 70 HG3 LYS 70 -12.529 -5.798 2.503 672 HG3 LYS 70 HG2 LYS 70 -13.726 -5.971 1.223 673 HD2 LYS 70 HD3 LYS 70 -15.004 -5.389 3.057 674 HD3 LYS 70 HD2 LYS 70 -15.145 -7.147 3.032 675 HE2 LYS 70 HE3 LYS 70 -13.101 -5.677 4.666 676 HE3 LYS 70 HE2 LYS 70 -14.699 -6.083 5.286 677 HZ1 LYS 70 HZ1 LYS 70 -12.582 -7.978 4.415 678 HZ2 LYS 70 HZ2 LYS 70 -14.158 -8.442 4.814 679 HZ3 LYS 70 HZ3 LYS 70 -13.165 -7.744 5.984 680 H ASP 71 H ASP 71 -9.972 -9.868 2.226 681 HA ASP 71 HA ASP 71 -9.694 -12.031 1.567 682 HB2 ASP 71 HB3 ASP 71 -12.322 -11.379 0.337 683 HB3 ASP 71 HB2 ASP 71 -11.496 -12.824 -0.232 684 H TRP 72 H TRP 72 -7.826 -10.736 0.482 685 HA TRP 72 HA TRP 72 -7.911 -11.292 -2.409 686 HB2 TRP 72 HB3 TRP 72 -5.965 -9.768 -2.594 687 HB3 TRP 72 HB2 TRP 72 -7.391 -8.963 -1.951 688 HD1 TRP 72 HD1 TRP 72 -7.311 -8.175 0.597 689 HE1 TRP 72 HE1 TRP 72 -5.354 -7.773 2.212 690 HE3 TRP 72 HE3 TRP 72 -3.604 -10.623 -1.945 691 HZ2 TRP 72 HZ2 TRP 72 -2.611 -8.404 2.368 692 HZ3 TRP 72 HZ3 TRP 72 -1.352 -10.639 -0.942 693 HH2 TRP 72 HH2 TRP 72 -0.877 -9.564 1.146 694 H ALA 73 H ALA 73 -6.271 -12.538 -3.353 695 HA ALA 73 HA ALA 73 -4.528 -13.930 -1.427 696 HB1 ALA 73 HB1 ALA 73 -4.630 -15.826 -3.005 697 HB2 ALA 73 HB2 ALA 73 -5.750 -14.901 -4.010 698 HB3 ALA 73 HB3 ALA 73 -6.219 -15.382 -2.379 699 H LEU 74 H LEU 74 -2.347 -14.178 -1.958 700 HA LEU 74 HA LEU 74 -1.055 -12.493 -3.707 701 HB2 LEU 74 HB3 LEU 74 -0.287 -15.119 -2.504 702 HB3 LEU 74 HB2 LEU 74 0.751 -14.394 -3.713 703 HG LEU 74 HG LEU 74 1.656 -13.774 -1.638 704 HD11 LEU 74 HD11 LEU 74 1.472 -11.974 -3.301 705 HD12 LEU 74 HD12 LEU 74 1.521 -11.384 -1.641 706 HD13 LEU 74 HD13 LEU 74 -0.008 -11.430 -2.515 707 HD21 LEU 74 HD21 LEU 74 -0.297 -14.338 -0.252 708 HD22 LEU 74 HD22 LEU 74 -1.064 -12.829 -0.751 709 HD23 LEU 74 HD23 LEU 74 0.432 -12.794 0.186 710 H GLY 75 H GLY 75 -0.748 -12.387 -5.793 711 HA2 GLY 75 HA3 GLY 75 -0.520 -13.077 -7.999 712 HA3 GLY 75 HA2 GLY 75 -0.885 -14.721 -7.497 713 H GLU 76 H GLU 76 -3.098 -12.424 -6.335 714 HA GLU 76 HA GLU 76 -5.032 -13.327 -8.345 715 HB2 GLU 76 HB3 GLU 76 -5.560 -13.976 -6.050 716 HB3 GLU 76 HB2 GLU 76 -5.522 -12.290 -5.555 717 HG2 GLU 76 HG3 GLU 76 -7.452 -11.787 -6.841 718 HG3 GLU 76 HG2 GLU 76 -7.416 -13.366 -7.623 719 H GLU 77 H GLU 77 -6.566 -11.894 -9.157 720 HA GLU 77 HA GLU 77 -5.829 -9.040 -9.052 721 HB2 GLU 77 HB3 GLU 77 -4.971 -10.020 -11.122 722 HB3 GLU 77 HB2 GLU 77 -6.545 -10.711 -11.479 723 HG2 GLU 77 HG3 GLU 77 -7.473 -8.453 -11.695 724 HG3 GLU 77 HG2 GLU 77 -5.871 -7.782 -11.384 725 H PHE 78 H PHE 78 -7.511 -7.921 -8.322 726 HA PHE 78 HA PHE 78 -10.236 -8.801 -8.955 727 HB2 PHE 78 HB3 PHE 78 -10.908 -8.432 -6.597 728 HB3 PHE 78 HB2 PHE 78 -9.744 -9.742 -6.762 729 HD1 PHE 78 HD1 PHE 78 -7.406 -9.412 -6.054 730 HD2 PHE 78 HD2 PHE 78 -10.403 -6.470 -5.362 731 HE1 PHE 78 HE1 PHE 78 -5.958 -8.334 -4.384 732 HE2 PHE 78 HE2 PHE 78 -8.959 -5.383 -3.696 733 HZ PHE 78 HZ PHE 78 -6.732 -6.314 -3.205 734 H GLN 79 H GLN 79 -11.844 -7.096 -8.594 735 HA GLN 79 HA GLN 79 -10.674 -4.451 -9.061 736 HB2 GLN 79 HB3 GLN 79 -12.440 -5.361 -10.612 737 HB3 GLN 79 HB2 GLN 79 -13.576 -5.280 -9.273 738 HG2 GLN 79 HG3 GLN 79 -13.186 -2.853 -9.128 739 HG3 GLN 79 HG2 GLN 79 -12.124 -2.965 -10.529 740 HE21 GLN 79 HE21 GLN 79 -15.382 -3.047 -9.392 741 HE22 GLN 79 HE22 GLN 79 -16.147 -2.975 -10.940 742 H ASP 80 H ASP 80 -11.000 -2.748 -7.659 743 HA ASP 80 HA ASP 80 -12.734 -3.011 -5.375 744 HB2 ASP 80 HB3 ASP 80 -10.676 -4.451 -4.853 745 HB3 ASP 80 HB2 ASP 80 -9.777 -2.940 -4.783 746 H GLU 81 H GLU 81 -12.376 -1.111 -3.831 747 HA GLU 81 HA GLU 81 -11.968 1.257 -5.493 748 HB2 GLU 81 HB3 GLU 81 -14.034 1.010 -4.036 749 HB3 GLU 81 HB2 GLU 81 -12.972 1.162 -2.644 750 HG2 GLU 81 HG3 GLU 81 -12.254 3.367 -3.440 751 HG3 GLU 81 HG2 GLU 81 -13.361 3.223 -4.803 752 H ALA 82 H ALA 82 -10.051 1.991 -5.581 753 HA ALA 82 HA ALA 82 -8.190 1.547 -3.395 754 HB1 ALA 82 HB1 ALA 82 -7.699 2.681 -6.123 755 HB2 ALA 82 HB2 ALA 82 -7.638 0.973 -5.709 756 HB3 ALA 82 HB3 ALA 82 -6.485 2.095 -4.981 757 H LEU 83 H LEU 83 -6.467 3.395 -3.198 758 HA LEU 83 HA LEU 83 -7.642 5.483 -1.816 759 HB2 LEU 83 HB3 LEU 83 -4.895 5.260 -3.031 760 HB3 LEU 83 HB2 LEU 83 -5.383 6.620 -2.045 761 HG LEU 83 HG LEU 83 -4.133 5.168 -0.654 762 HD11 LEU 83 HD11 LEU 83 -7.048 4.695 -0.066 763 HD12 LEU 83 HD12 LEU 83 -6.127 6.132 0.374 764 HD13 LEU 83 HD13 LEU 83 -5.715 4.570 1.080 765 HD21 LEU 83 HD21 LEU 83 -4.654 2.812 -0.325 766 HD22 LEU 83 HD22 LEU 83 -4.258 3.146 -2.011 767 HD23 LEU 83 HD23 LEU 83 -5.939 2.919 -1.528 768 H ASP 84 H ASP 84 -6.914 5.206 -5.195 769 HA ASP 84 HA ASP 84 -7.105 8.033 -5.694 770 HB2 ASP 84 HB3 ASP 84 -6.904 7.448 -8.074 771 HB3 ASP 84 HB2 ASP 84 -5.640 6.709 -7.101 772 H SER 85 H SER 85 -9.392 6.343 -4.569 773 HA SER 85 HA SER 85 -11.532 7.007 -4.250 774 HB2 SER 85 HB3 SER 85 -11.172 8.848 -6.618 775 HB3 SER 85 HB2 SER 85 -12.454 8.923 -5.408 776 HG SER 85 HG SER 85 -9.836 8.959 -4.467 777 H THR 86 H THR 86 -10.488 5.907 -7.362 778 HA THR 86 HA THR 86 -13.217 5.183 -8.101 779 HB THR 86 HB THR 86 -12.114 4.342 -10.213 780 HG1 THR 86 HG1 THR 86 -9.889 5.934 -9.641 781 HG21 THR 86 HG21 THR 86 -11.759 7.262 -9.529 782 HG22 THR 86 HG22 THR 86 -13.246 6.503 -10.099 783 HG23 THR 86 HG23 THR 86 -11.837 6.583 -11.156 784 H GLN 87 H GLN 87 -13.456 2.941 -9.112 785 HA GLN 87 HA GLN 87 -12.034 0.988 -7.451 786 HB2 GLN 87 HB3 GLN 87 -14.765 0.699 -8.696 787 HB3 GLN 87 HB2 GLN 87 -13.999 -0.382 -7.536 788 HG2 GLN 87 HG3 GLN 87 -14.049 1.354 -5.859 789 HG3 GLN 87 HG2 GLN 87 -14.779 2.464 -7.013 790 HE21 GLN 87 HE21 GLN 87 -15.598 -0.909 -6.861 791 HE22 GLN 87 HE22 GLN 87 -17.190 -0.683 -6.259 792 H HIS 88 H HIS 88 -10.756 -0.312 -8.553 793 HA HIS 88 HA HIS 88 -11.234 -0.740 -11.373 794 HB2 HIS 88 HB3 HIS 88 -8.854 0.008 -11.880 795 HB3 HIS 88 HB2 HIS 88 -10.050 1.269 -11.600 796 HD1 HIS 88 HD1 HIS 88 -7.542 -0.656 -9.460 797 HD2 HIS 88 HD2 HIS 88 -9.141 3.149 -9.935 798 HE1 HIS 88 HE1 HIS 88 -6.436 0.770 -7.708 799 HE2 HIS 88 HE2 HIS 88 -7.382 3.090 -8.041 800 H LYS 89 H LYS 89 -9.268 -1.956 -12.311 801 HA LYS 89 HA LYS 89 -9.083 -4.433 -11.020 802 HB2 LYS 89 HB3 LYS 89 -8.867 -4.170 -13.424 803 HB3 LYS 89 HB2 LYS 89 -7.436 -3.180 -13.209 804 HG2 LYS 89 HG3 LYS 89 -6.238 -5.102 -12.290 805 HG3 LYS 89 HG2 LYS 89 -7.677 -6.097 -12.521 806 HD2 LYS 89 HD3 LYS 89 -6.208 -4.664 -14.731 807 HD3 LYS 89 HD2 LYS 89 -5.992 -6.367 -14.322 808 HE2 LYS 89 HE3 LYS 89 -8.427 -6.697 -14.736 809 HE3 LYS 89 HE2 LYS 89 -8.509 -5.033 -15.308 810 HZ1 LYS 89 HZ1 LYS 89 -6.853 -7.197 -16.485 811 HZ2 LYS 89 HZ2 LYS 89 -6.896 -5.597 -17.026 812 HZ3 LYS 89 HZ3 LYS 89 -8.275 -6.562 -17.145 813 H ILE 90 H ILE 90 -7.723 -5.189 -9.539 814 HA ILE 90 HA ILE 90 -5.191 -3.800 -9.036 815 HB ILE 90 HB ILE 90 -7.290 -4.503 -6.986 816 HG12 ILE 90 HG13 ILE 90 -5.786 -1.936 -7.532 817 HG13 ILE 90 HG12 ILE 90 -7.419 -2.286 -8.087 818 HG21 ILE 90 HG21 ILE 90 -4.417 -3.747 -6.469 819 HG22 ILE 90 HG22 ILE 90 -5.130 -5.345 -6.216 820 HG23 ILE 90 HG23 ILE 90 -5.671 -3.969 -5.248 821 HD11 ILE 90 HD11 ILE 90 -6.527 -2.060 -5.225 822 HD12 ILE 90 HD12 ILE 90 -8.162 -2.440 -5.766 823 HD13 ILE 90 HD13 ILE 90 -7.453 -0.871 -6.138 824 H THR 91 H THR 91 -3.526 -5.163 -8.776 825 HA THR 91 HA THR 91 -4.151 -7.996 -8.273 826 HB THR 91 HB THR 91 -1.801 -6.897 -9.816 827 HG1 THR 91 HG1 THR 91 -4.349 -7.466 -10.551 828 HG21 THR 91 HG21 THR 91 -2.739 -9.738 -9.415 829 HG22 THR 91 HG22 THR 91 -1.308 -9.013 -8.683 830 HG23 THR 91 HG23 THR 91 -1.389 -9.232 -10.431 831 H PHE 92 H PHE 92 -3.333 -8.849 -6.516 832 HA PHE 92 HA PHE 92 -1.121 -7.480 -5.136 833 HB2 PHE 92 HB3 PHE 92 -3.444 -9.066 -4.171 834 HB3 PHE 92 HB2 PHE 92 -1.923 -9.292 -3.313 835 HD1 PHE 92 HD1 PHE 92 -4.530 -6.865 -4.210 836 HD2 PHE 92 HD2 PHE 92 -1.031 -7.597 -1.907 837 HE1 PHE 92 HE1 PHE 92 -4.963 -4.827 -2.907 838 HE2 PHE 92 HE2 PHE 92 -1.458 -5.559 -0.597 839 HZ PHE 92 HZ PHE 92 -3.423 -4.174 -1.099 840 H ASP 93 H ASP 93 0.812 -8.465 -5.152 841 HA ASP 93 HA ASP 93 1.037 -11.296 -5.685 842 HB2 ASP 93 HB3 ASP 93 0.645 -10.500 -7.936 843 HB3 ASP 93 HB2 ASP 93 1.841 -9.224 -7.741 844 H LEU 94 H LEU 94 3.092 -12.090 -5.243 845 HA LEU 94 HA LEU 94 4.908 -10.186 -3.982 846 HB2 LEU 94 HB3 LEU 94 4.762 -13.181 -3.957 847 HB3 LEU 94 HB2 LEU 94 6.238 -12.357 -3.498 848 HG LEU 94 HG LEU 94 3.690 -12.633 -2.028 849 HD11 LEU 94 HD11 LEU 94 6.574 -12.280 -1.265 850 HD12 LEU 94 HD12 LEU 94 5.665 -13.794 -1.303 851 HD13 LEU 94 HD13 LEU 94 5.255 -12.546 -0.123 852 HD21 LEU 94 HD21 LEU 94 5.321 -10.104 -1.902 853 HD22 LEU 94 HD22 LEU 94 4.103 -10.586 -0.723 854 HD23 LEU 94 HD23 LEU 94 3.630 -10.248 -2.390 855 H LYS 95 H LYS 95 6.437 -9.309 -5.117 856 HA LYS 95 HA LYS 95 7.083 -10.347 -7.753 857 HB2 LYS 95 HB3 LYS 95 6.751 -7.968 -7.603 858 HB3 LYS 95 HB2 LYS 95 7.858 -7.842 -6.244 859 HG2 LYS 95 HG3 LYS 95 9.727 -8.394 -7.689 860 HG3 LYS 95 HG2 LYS 95 8.628 -8.588 -9.057 861 HD2 LYS 95 HD3 LYS 95 8.085 -6.289 -9.074 862 HD3 LYS 95 HD2 LYS 95 8.819 -6.030 -7.489 863 HE2 LYS 95 HE3 LYS 95 10.358 -6.872 -9.935 864 HE3 LYS 95 HE2 LYS 95 10.169 -5.195 -9.425 865 HZ1 LYS 95 HZ1 LYS 95 11.291 -5.681 -7.385 866 HZ2 LYS 95 HZ2 LYS 95 12.256 -6.226 -8.659 867 HZ3 LYS 95 HZ3 LYS 95 11.365 -7.334 -7.739 868 H ASP 96 H ASP 96 8.625 -9.576 -4.703 869 HA ASP 96 HA ASP 96 10.656 -11.629 -5.234 870 HB2 ASP 96 HB3 ASP 96 11.004 -9.044 -3.680 871 HB3 ASP 96 HB2 ASP 96 12.219 -10.301 -3.837 872 HA PRO 97 HA PRO 97 9.225 -13.501 -1.511 873 HB2 PRO 97 HB3 PRO 97 11.944 -13.813 -0.433 874 HB3 PRO 97 HB2 PRO 97 10.810 -15.050 -0.984 875 HG2 PRO 97 HG3 PRO 97 13.029 -14.455 -2.374 876 HG3 PRO 97 HG2 PRO 97 11.513 -14.897 -3.183 877 HD2 PRO 97 HD3 PRO 97 12.690 -12.174 -2.726 878 HD3 PRO 97 HD2 PRO 97 11.951 -12.838 -4.199 879 H ASN 98 H ASN 98 10.552 -10.552 -1.448 880 HA ASN 98 HA ASN 98 9.807 -10.081 1.320 881 HB2 ASN 98 HB3 ASN 98 11.843 -8.814 1.828 882 HB3 ASN 98 HB2 ASN 98 12.225 -10.490 1.459 883 HD21 ASN 98 HD21 ASN 98 13.850 -8.040 1.339 884 HD22 ASN 98 HD22 ASN 98 14.483 -7.986 -0.270 885 H THR 99 H THR 99 8.788 -9.452 -1.385 886 HA THR 99 HA THR 99 8.307 -6.641 -0.868 887 HB THR 99 HB THR 99 9.391 -7.511 -3.556 888 HG1 THR 99 HG1 THR 99 10.610 -6.642 -1.283 889 HG21 THR 99 HG21 THR 99 8.582 -4.782 -2.535 890 HG22 THR 99 HG22 THR 99 7.694 -5.743 -3.717 891 HG23 THR 99 HG23 THR 99 9.300 -5.126 -4.111 892 H LEU 100 H LEU 100 6.181 -6.682 -0.727 893 HA LEU 100 HA LEU 100 4.511 -8.282 -2.486 894 HB2 LEU 100 HB3 LEU 100 4.229 -7.350 0.068 895 HB3 LEU 100 HB2 LEU 100 3.341 -6.131 -0.815 896 HG LEU 100 HG LEU 100 2.743 -9.091 -0.799 897 HD11 LEU 100 HD11 LEU 100 1.266 -6.758 0.400 898 HD12 LEU 100 HD12 LEU 100 2.192 -7.965 1.289 899 HD13 LEU 100 HD13 LEU 100 0.738 -8.441 0.415 900 HD21 LEU 100 HD21 LEU 100 0.747 -8.531 -2.062 901 HD22 LEU 100 HD22 LEU 100 2.192 -8.061 -2.956 902 HD23 LEU 100 HD23 LEU 100 1.237 -6.837 -2.120 903 H THR 101 H THR 101 3.226 -7.364 -4.207 904 HA THR 101 HA THR 101 3.667 -4.494 -4.652 905 HB THR 101 HB THR 101 3.449 -5.101 -7.151 906 HG1 THR 101 HG1 THR 101 3.700 -7.600 -5.951 907 HG21 THR 101 HG21 THR 101 5.492 -4.229 -6.153 908 HG22 THR 101 HG22 THR 101 5.866 -5.479 -7.338 909 HG23 THR 101 HG23 THR 101 5.936 -5.848 -5.615 910 H GLU 102 H GLU 102 1.930 -3.308 -5.063 911 HA GLU 102 HA GLU 102 -0.624 -4.703 -5.550 912 HB2 GLU 102 HB3 GLU 102 -0.472 -3.510 -3.350 913 HB3 GLU 102 HB2 GLU 102 -0.217 -2.006 -4.226 914 HG2 GLU 102 HG3 GLU 102 -2.438 -2.403 -5.337 915 HG3 GLU 102 HG2 GLU 102 -2.682 -3.727 -4.199 916 H THR 103 H THR 103 -0.880 -4.593 -7.720 917 HA THR 103 HA THR 103 -0.051 -2.164 -9.131 918 HB THR 103 HB THR 103 -0.911 -4.839 -10.260 919 HG1 THR 103 HG1 THR 103 1.591 -3.782 -9.482 920 HG21 THR 103 HG21 THR 103 -1.194 -2.992 -11.841 921 HG22 THR 103 HG22 THR 103 0.142 -4.035 -12.329 922 HG23 THR 103 HG23 THR 103 0.472 -2.485 -11.556 923 H HIS 104 H HIS 104 -1.537 -0.688 -9.662 924 HA HIS 104 HA HIS 104 -4.367 -1.511 -9.631 925 HB2 HIS 104 HB3 HIS 104 -3.583 1.370 -9.650 926 HB3 HIS 104 HB2 HIS 104 -4.962 0.589 -8.893 927 HD1 HIS 104 HD1 HIS 104 -2.163 2.391 -7.945 928 HD2 HIS 104 HD2 HIS 104 -3.786 -1.197 -6.625 929 HE1 HIS 104 HE1 HIS 104 -1.245 2.046 -5.639 930 HE2 HIS 104 HE2 HIS 104 -2.342 -0.057 -4.795 931 H ILE 105 H ILE 105 -5.315 -1.723 -11.552 932 HA ILE 105 HA ILE 105 -4.465 0.084 -13.716 933 HB ILE 105 HB ILE 105 -5.787 -2.613 -13.994 934 HG12 ILE 105 HG13 ILE 105 -2.953 -1.689 -14.468 935 HG13 ILE 105 HG12 ILE 105 -3.500 -2.910 -13.325 936 HG21 ILE 105 HG21 ILE 105 -4.783 -0.685 -16.087 937 HG22 ILE 105 HG22 ILE 105 -6.470 -1.075 -15.752 938 HG23 ILE 105 HG23 ILE 105 -5.390 -2.308 -16.401 939 HD11 ILE 105 HD11 ILE 105 -2.447 -3.889 -15.286 940 HD12 ILE 105 HD12 ILE 105 -3.657 -3.112 -16.311 941 HD13 ILE 105 HD13 ILE 105 -4.144 -4.350 -15.154 942 H LYS 106 H LYS 106 -5.823 1.681 -13.901 943 HA LYS 106 HA LYS 106 -8.407 1.743 -12.806 944 HB2 LYS 106 HB3 LYS 106 -7.191 3.522 -14.930 945 HB3 LYS 106 HB2 LYS 106 -8.656 3.878 -14.026 946 HG2 LYS 106 HG3 LYS 106 -7.436 4.055 -11.977 947 HG3 LYS 106 HG2 LYS 106 -5.960 3.467 -12.749 948 HD2 LYS 106 HD3 LYS 106 -6.034 5.464 -14.243 949 HD3 LYS 106 HD2 LYS 106 -7.395 6.062 -13.297 950 HE2 LYS 106 HE3 LYS 106 -4.770 5.357 -12.019 951 HE3 LYS 106 HE2 LYS 106 -5.052 6.942 -12.731 952 HZ1 LYS 106 HZ1 LYS 106 -6.662 5.721 -10.545 953 HZ2 LYS 106 HZ2 LYS 106 -6.912 7.247 -11.233 954 HZ3 LYS 106 HZ3 LYS 106 -5.496 6.937 -10.365 955 H VAL 107 H VAL 107 -10.262 1.129 -13.481 956 HA VAL 107 HA VAL 107 -10.727 -0.493 -15.690 957 HB VAL 107 HB VAL 107 -13.143 -0.154 -15.234 958 HG11 VAL 107 HG11 VAL 107 -12.851 -0.703 -12.660 959 HG12 VAL 107 HG12 VAL 107 -11.157 -0.826 -13.159 960 HG13 VAL 107 HG13 VAL 107 -12.378 -1.842 -13.925 961 HG21 VAL 107 HG21 VAL 107 -12.167 1.849 -13.196 962 HG22 VAL 107 HG22 VAL 107 -13.820 1.253 -13.335 963 HG23 VAL 107 HG23 VAL 107 -13.115 2.211 -14.638 964 H ASP 108 H ASP 108 -10.981 2.942 -15.299 965 HA ASP 108 HA ASP 108 -12.322 3.324 -17.834 966 HB2 ASP 108 HB3 ASP 108 -12.622 4.779 -15.735 967 HB3 ASP 108 HB2 ASP 108 -11.075 5.500 -16.169 968 H ASP 109 H ASP 109 -9.182 4.346 -16.457 969 HA ASP 109 HA ASP 109 -8.111 4.285 -19.197 970 HB2 ASP 109 HB3 ASP 109 -7.322 6.108 -16.910 971 HB3 ASP 109 HB2 ASP 109 -6.411 5.963 -18.407 972 HA PRO 110 HA PRO 110 -5.666 1.089 -17.087 973 HB2 PRO 110 HB3 PRO 110 -5.326 -0.379 -19.336 974 HB3 PRO 110 HB2 PRO 110 -6.770 -0.505 -18.330 975 HG2 PRO 110 HG3 PRO 110 -6.370 1.020 -20.869 976 HG3 PRO 110 HG2 PRO 110 -7.740 0.025 -20.361 977 HD2 PRO 110 HD3 PRO 110 -7.768 2.705 -20.200 978 HD3 PRO 110 HD2 PRO 110 -8.636 1.667 -19.058 979 H THR 111 H THR 111 -5.233 3.424 -19.445 980 HA THR 111 HA THR 111 -2.481 2.919 -20.069 981 HB THR 111 HB THR 111 -2.604 5.265 -21.008 982 HG1 THR 111 HG1 THR 111 -5.052 5.795 -21.204 983 HG21 THR 111 HG21 THR 111 -4.109 4.642 -22.853 984 HG22 THR 111 HG22 THR 111 -4.705 3.291 -21.888 985 HG23 THR 111 HG23 THR 111 -3.023 3.326 -22.413 986 H ASP 112 H ASP 112 -4.273 4.532 -17.606 987 HA ASP 112 HA ASP 112 -1.834 5.839 -16.612 988 HB2 ASP 112 HB3 ASP 112 -3.877 7.252 -17.043 989 HB3 ASP 112 HB2 ASP 112 -4.683 6.374 -15.748 990 H VAL 113 H VAL 113 -1.600 3.322 -16.158 991 HA VAL 113 HA VAL 113 -2.762 2.289 -13.813 992 HB VAL 113 HB VAL 113 -0.785 0.744 -13.800 993 HG11 VAL 113 HG11 VAL 113 -2.866 0.226 -14.944 994 HG12 VAL 113 HG12 VAL 113 -1.476 -0.448 -15.792 995 HG13 VAL 113 HG13 VAL 113 -2.264 1.008 -16.404 996 HG21 VAL 113 HG21 VAL 113 -0.051 2.271 -16.292 997 HG22 VAL 113 HG22 VAL 113 0.696 0.766 -15.758 998 HG23 VAL 113 HG23 VAL 113 0.868 2.228 -14.788 999 H GLU 114 H GLU 114 -1.151 1.523 -12.002 1000 HA GLU 114 HA GLU 114 0.988 3.226 -11.268 1001 HB2 GLU 114 HB3 GLU 114 -1.072 4.692 -10.847 1002 HB3 GLU 114 HB2 GLU 114 -1.469 3.572 -9.550 1003 HG2 GLU 114 HG3 GLU 114 0.651 4.074 -8.459 1004 HG3 GLU 114 HG2 GLU 114 1.069 5.166 -9.771 1005 H THR 115 H THR 115 2.152 2.302 -9.564 1006 HA THR 115 HA THR 115 0.936 -0.026 -8.262 1007 HB THR 115 HB THR 115 3.598 -0.075 -9.701 1008 HG1 THR 115 HG1 THR 115 2.544 -1.066 -11.268 1009 HG21 THR 115 HG21 THR 115 3.669 -1.421 -7.656 1010 HG22 THR 115 HG22 THR 115 3.667 -2.452 -9.087 1011 HG23 THR 115 HG23 THR 115 2.191 -2.251 -8.144 1012 H TYR 116 H TYR 116 1.425 -0.239 -6.197 1013 HA TYR 116 HA TYR 116 3.700 1.287 -5.077 1014 HB2 TYR 116 HB3 TYR 116 1.438 0.039 -3.497 1015 HB3 TYR 116 HB2 TYR 116 2.647 1.170 -2.920 1016 HD1 TYR 116 HD1 TYR 116 2.153 2.924 -5.616 1017 HD2 TYR 116 HD2 TYR 116 -0.253 1.442 -2.436 1018 HE1 TYR 116 HE1 TYR 116 0.571 4.781 -5.947 1019 HE2 TYR 116 HE2 TYR 116 -1.837 3.286 -2.760 1020 HH TYR 116 HH TYR 116 -1.807 5.580 -3.691 1021 H GLU 117 H GLU 117 4.992 -0.007 -3.343 1022 HA GLU 117 HA GLU 117 4.523 -2.860 -3.536 1023 HB2 GLU 117 HB3 GLU 117 6.929 -3.299 -3.942 1024 HB3 GLU 117 HB2 GLU 117 6.149 -2.490 -5.293 1025 HG2 GLU 117 HG3 GLU 117 7.064 -0.340 -4.433 1026 HG3 GLU 117 HG2 GLU 117 7.976 -1.273 -3.247 1027 H TYR 118 H TYR 118 5.050 -3.930 -1.696 1028 HA TYR 118 HA TYR 118 5.820 -2.237 0.590 1029 HB2 TYR 118 HB3 TYR 118 4.183 -4.787 0.523 1030 HB3 TYR 118 HB2 TYR 118 4.602 -3.896 1.977 1031 HD1 TYR 118 HD1 TYR 118 3.565 -1.704 2.426 1032 HD2 TYR 118 HD2 TYR 118 2.382 -4.047 -0.915 1033 HE1 TYR 118 HE1 TYR 118 1.523 -0.372 2.208 1034 HE2 TYR 118 HE2 TYR 118 0.349 -2.727 -1.138 1035 HH TYR 118 HH TYR 118 -0.956 -1.281 -0.100 1036 H ARG 119 H ARG 119 7.946 -2.531 0.985 1037 HA ARG 119 HA ARG 119 8.871 -5.320 1.248 1038 HB2 ARG 119 HB3 ARG 119 11.079 -4.682 0.682 1039 HB3 ARG 119 HB2 ARG 119 10.031 -3.956 -0.526 1040 HG2 ARG 119 HG3 ARG 119 10.189 -1.816 0.576 1041 HG3 ARG 119 HG2 ARG 119 11.161 -2.528 1.865 1042 HD2 ARG 119 HD3 ARG 119 11.918 -2.390 -1.045 1043 HD3 ARG 119 HD2 ARG 119 12.529 -1.355 0.236 1044 HE ARG 119 HE ARG 119 13.319 -3.612 1.225 1045 HH11 ARG 119 HH11 ARG 119 13.237 -2.791 -2.176 1046 HH12 ARG 119 HH12 ARG 119 14.591 -3.793 -2.581 1047 HH21 ARG 119 HH21 ARG 119 15.118 -4.918 0.690 1048 HH22 ARG 119 HH22 ARG 119 15.663 -4.997 -0.958 1049 H ARG 120 H ARG 120 10.711 -5.505 2.888 1050 HA ARG 120 HA ARG 120 10.036 -3.833 5.216 1051 HB2 ARG 120 HB3 ARG 120 10.503 -6.765 4.962 1052 HB3 ARG 120 HB2 ARG 120 10.950 -5.969 6.461 1053 HG2 ARG 120 HG3 ARG 120 8.217 -5.817 5.227 1054 HG3 ARG 120 HG2 ARG 120 8.683 -6.977 6.469 1055 HD2 ARG 120 HD3 ARG 120 8.667 -3.973 6.708 1056 HD3 ARG 120 HD2 ARG 120 7.569 -5.102 7.497 1057 HE ARG 120 HE ARG 120 10.442 -5.257 8.071 1058 HH11 ARG 120 HH11 ARG 120 7.173 -4.632 9.142 1059 HH12 ARG 120 HH12 ARG 120 7.603 -4.545 10.819 1060 HH21 ARG 120 HH21 ARG 120 11.022 -5.127 10.268 1061 HH22 ARG 120 HH22 ARG 120 9.793 -4.831 11.462 1062 H ASP 121 H ASP 121 11.605 -2.411 5.490 1063 HA ASP 121 HA ASP 121 14.378 -3.389 5.340 1064 HB2 ASP 121 HB3 ASP 121 13.565 -1.532 3.722 1065 HB3 ASP 121 HB2 ASP 121 13.606 -0.490 5.141 1066 H GLY 122 H GLY 122 14.722 -3.994 7.409 1067 HA2 GLY 122 HA3 GLY 122 15.413 -3.591 9.584 1068 HA3 GLY 122 HA2 GLY 122 14.964 -1.903 9.383 1069 H ASP 123 H ASP 123 13.521 -1.369 10.873 1070 HA ASP 123 HA ASP 123 11.502 -3.357 11.648 1071 HB2 ASP 123 HB3 ASP 123 12.476 -0.853 13.026 1072 HB3 ASP 123 HB2 ASP 123 11.070 -1.760 13.569 1073 H TYR 124 H TYR 124 11.611 -1.396 9.265 1074 HA TYR 124 HA TYR 124 8.982 -0.171 9.752 1075 HB2 TYR 124 HB3 TYR 124 11.297 0.921 8.142 1076 HB3 TYR 124 HB2 TYR 124 9.677 1.613 8.140 1077 HD1 TYR 124 HD1 TYR 124 12.597 0.888 10.306 1078 HD2 TYR 124 HD2 TYR 124 9.003 3.102 9.822 1079 HE1 TYR 124 HE1 TYR 124 13.192 2.268 12.249 1080 HE2 TYR 124 HE2 TYR 124 9.584 4.486 11.760 1081 HH TYR 124 HH TYR 124 10.967 4.371 13.755 1082 H LEU 125 H LEU 125 7.446 -0.429 8.207 1083 HA LEU 125 HA LEU 125 7.998 -2.211 6.010 1084 HB2 LEU 125 HB3 LEU 125 5.838 -2.311 7.185 1085 HB3 LEU 125 HB2 LEU 125 5.529 -0.634 6.788 1086 HG LEU 125 HG LEU 125 5.598 -1.357 4.340 1087 HD11 LEU 125 HD11 LEU 125 5.331 -4.065 5.630 1088 HD12 LEU 125 HD12 LEU 125 6.676 -3.506 4.635 1089 HD13 LEU 125 HD13 LEU 125 5.076 -3.712 3.921 1090 HD21 LEU 125 HD21 LEU 125 3.422 -2.394 6.148 1091 HD22 LEU 125 HD22 LEU 125 3.276 -2.148 4.408 1092 HD23 LEU 125 HD23 LEU 125 3.541 -0.769 5.475 1093 H VAL 126 H VAL 126 8.611 -1.500 4.016 1094 HA VAL 126 HA VAL 126 8.602 1.423 3.698 1095 HB VAL 126 HB VAL 126 10.710 -0.461 2.626 1096 HG11 VAL 126 HG11 VAL 126 11.903 1.606 2.029 1097 HG12 VAL 126 HG12 VAL 126 10.526 2.558 2.583 1098 HG13 VAL 126 HG13 VAL 126 10.354 1.484 1.195 1099 HG21 VAL 126 HG21 VAL 126 10.880 -0.254 5.044 1100 HG22 VAL 126 HG22 VAL 126 10.816 1.504 4.917 1101 HG23 VAL 126 HG23 VAL 126 12.197 0.624 4.264 1102 H MET 127 H MET 127 7.299 2.022 2.237 1103 HA MET 127 HA MET 127 6.596 0.219 0.044 1104 HB2 MET 127 HB3 MET 127 4.584 0.995 0.809 1105 HB3 MET 127 HB2 MET 127 5.255 2.520 1.358 1106 HG2 MET 127 HG3 MET 127 5.369 3.312 -0.944 1107 HG3 MET 127 HG2 MET 127 4.724 1.773 -1.507 1108 HE1 MET 127 HE1 MET 127 2.421 1.180 0.720 1109 HE2 MET 127 HE2 MET 127 2.450 0.883 -1.016 1110 HE3 MET 127 HE3 MET 127 1.105 1.771 -0.297 1111 H LYS 128 H LYS 128 6.937 0.737 -2.069 1112 HA LYS 128 HA LYS 128 8.372 3.252 -2.561 1113 HB2 LYS 128 HB3 LYS 128 9.880 1.269 -2.731 1114 HB3 LYS 128 HB2 LYS 128 8.848 0.638 -4.007 1115 HG2 LYS 128 HG3 LYS 128 9.340 2.639 -5.359 1116 HG3 LYS 128 HG2 LYS 128 10.437 3.194 -4.093 1117 HD2 LYS 128 HD3 LYS 128 11.753 1.121 -4.373 1118 HD3 LYS 128 HD2 LYS 128 10.682 0.651 -5.694 1119 HE2 LYS 128 HE3 LYS 128 12.751 1.647 -6.533 1120 HE3 LYS 128 HE2 LYS 128 11.344 2.619 -6.959 1121 HZ1 LYS 128 HZ1 LYS 128 13.048 3.198 -4.606 1122 HZ2 LYS 128 HZ2 LYS 128 11.878 4.199 -5.307 1123 HZ3 LYS 128 HZ3 LYS 128 13.319 3.878 -6.126 1124 H MET 129 H MET 129 7.564 4.479 -4.084 1125 HA MET 129 HA MET 129 5.540 3.380 -5.925 1126 HB2 MET 129 HB3 MET 129 5.455 6.135 -4.669 1127 HB3 MET 129 HB2 MET 129 4.204 5.375 -5.642 1128 HG2 MET 129 HG3 MET 129 3.574 3.934 -3.925 1129 HG3 MET 129 HG2 MET 129 5.075 4.184 -3.038 1130 HE1 MET 129 HE1 MET 129 2.634 6.847 -4.674 1131 HE2 MET 129 HE2 MET 129 1.612 7.225 -3.286 1132 HE3 MET 129 HE3 MET 129 1.583 5.607 -3.992 1133 H SER 130 H SER 130 6.162 3.746 -8.027 1134 HA SER 130 HA SER 130 8.019 5.973 -8.483 1135 HB2 SER 130 HB3 SER 130 8.435 3.321 -9.821 1136 HB3 SER 130 HB2 SER 130 9.574 4.649 -9.614 1137 HG SER 130 HG SER 130 9.090 2.544 -7.988 1138 H TRP 131 H TRP 131 7.727 7.084 -10.284 1139 HA TRP 131 HA TRP 131 6.281 5.967 -12.546 1140 HB2 TRP 131 HB3 TRP 131 4.540 6.964 -11.028 1141 HB3 TRP 131 HB2 TRP 131 5.334 8.523 -11.229 1142 HD1 TRP 131 HD1 TRP 131 4.889 9.841 -13.455 1143 HE1 TRP 131 HE1 TRP 131 3.283 9.490 -15.435 1144 HE3 TRP 131 HE3 TRP 131 3.396 5.059 -12.430 1145 HZ2 TRP 131 HZ2 TRP 131 1.609 7.445 -16.431 1146 HZ3 TRP 131 HZ3 TRP 131 1.797 3.978 -13.953 1147 HH2 TRP 131 HH2 TRP 131 0.918 5.147 -15.908 1148 H LYS 132 H LYS 132 7.145 6.630 -14.390 1149 HA LYS 132 HA LYS 132 8.652 7.536 -15.794 1150 HB2 LYS 132 HB3 LYS 132 7.823 10.044 -14.334 1151 HB3 LYS 132 HB2 LYS 132 8.792 10.038 -15.801 1152 HG2 LYS 132 HG3 LYS 132 6.927 8.860 -16.949 1153 HG3 LYS 132 HG2 LYS 132 5.959 9.074 -15.489 1154 HD2 LYS 132 HD3 LYS 132 7.187 11.304 -17.116 1155 HD3 LYS 132 HD2 LYS 132 5.499 10.801 -17.187 1156 HE2 LYS 132 HE3 LYS 132 5.231 11.378 -14.824 1157 HE3 LYS 132 HE2 LYS 132 6.917 11.883 -14.755 1158 HZ1 LYS 132 HZ1 LYS 132 6.426 13.590 -16.397 1159 HZ2 LYS 132 HZ2 LYS 132 5.448 13.774 -15.033 1160 HZ3 LYS 132 HZ3 LYS 132 4.808 13.108 -16.447 1161 H GLY 133 H GLY 133 9.832 6.358 -13.570 1162 HA2 GLY 133 HA3 GLY 133 12.021 6.169 -12.811 1163 HA3 GLY 133 HA2 GLY 133 12.377 7.724 -13.543 1164 H VAL 134 H VAL 134 10.167 9.062 -12.162 1165 HA VAL 134 HA VAL 134 11.537 9.827 -9.788 1166 HB VAL 134 HB VAL 134 8.684 10.417 -10.612 1167 HG11 VAL 134 HG11 VAL 134 10.457 11.790 -8.596 1168 HG12 VAL 134 HG12 VAL 134 9.057 10.785 -8.233 1169 HG13 VAL 134 HG13 VAL 134 8.846 12.318 -9.079 1170 HG21 VAL 134 HG21 VAL 134 10.270 11.181 -12.287 1171 HG22 VAL 134 HG22 VAL 134 11.205 12.014 -11.044 1172 HG23 VAL 134 HG23 VAL 134 9.569 12.553 -11.427 1173 H SER 135 H SER 135 11.454 8.891 -7.827 1174 HA SER 135 HA SER 135 9.154 7.170 -7.255 1175 HB2 SER 135 HB3 SER 135 11.067 5.801 -8.025 1176 HB3 SER 135 HB2 SER 135 12.023 6.417 -6.684 1177 HG SER 135 HG SER 135 9.836 4.652 -6.692 1178 H THR 136 H THR 136 8.928 6.626 -5.055 1179 HA THR 136 HA THR 136 10.142 8.488 -3.148 1180 HB THR 136 HB THR 136 8.083 9.575 -3.715 1181 HG1 THR 136 HG1 THR 136 8.594 9.478 -1.466 1182 HG21 THR 136 HG21 THR 136 6.978 7.578 -4.689 1183 HG22 THR 136 HG22 THR 136 5.928 8.523 -3.635 1184 HG23 THR 136 HG23 THR 136 6.636 7.015 -3.050 1185 H SER 137 H SER 137 10.494 7.641 -1.150 1186 HA SER 137 HA SER 137 9.684 4.846 -0.754 1187 HB2 SER 137 HB3 SER 137 11.831 6.273 0.811 1188 HB3 SER 137 HB2 SER 137 11.590 4.541 0.612 1189 HG SER 137 HG SER 137 12.125 6.201 -1.610 1190 H ARG 138 H ARG 138 8.063 4.544 0.548 1191 HA ARG 138 HA ARG 138 7.326 6.626 2.480 1192 HB2 ARG 138 HB3 ARG 138 5.771 4.261 1.420 1193 HB3 ARG 138 HB2 ARG 138 5.139 5.486 2.507 1194 HG2 ARG 138 HG3 ARG 138 6.265 6.307 -0.128 1195 HG3 ARG 138 HG2 ARG 138 4.649 5.603 -0.049 1196 HD2 ARG 138 HD3 ARG 138 5.576 7.979 1.558 1197 HD3 ARG 138 HD2 ARG 138 4.652 8.077 0.060 1198 HE ARG 138 HE ARG 138 3.218 6.414 1.733 1199 HH11 ARG 138 HH11 ARG 138 4.295 9.743 1.770 1200 HH12 ARG 138 HH12 ARG 138 2.973 10.290 2.746 1201 HH21 ARG 138 HH21 ARG 138 1.489 7.116 3.003 1202 HH22 ARG 138 HH22 ARG 138 1.367 8.794 3.446 1203 H TYR 139 H TYR 139 7.972 6.298 4.520 1204 HA TYR 139 HA TYR 139 8.680 3.583 5.344 1205 HB2 TYR 139 HB3 TYR 139 9.331 6.283 6.526 1206 HB3 TYR 139 HB2 TYR 139 9.748 4.763 7.306 1207 HD1 TYR 139 HD1 TYR 139 10.461 6.977 4.464 1208 HD2 TYR 139 HD2 TYR 139 11.528 3.374 6.456 1209 HE1 TYR 139 HE1 TYR 139 12.540 6.876 3.155 1210 HE2 TYR 139 HE2 TYR 139 13.611 3.261 5.154 1211 HH TYR 139 HH TYR 139 14.807 5.863 3.379 1212 H TYR 140 H TYR 140 7.041 2.497 6.135 1213 HA TYR 140 HA TYR 140 5.087 3.874 7.819 1214 HB2 TYR 140 HB3 TYR 140 4.983 1.289 6.274 1215 HB3 TYR 140 HB2 TYR 140 3.768 1.709 7.478 1216 HD1 TYR 140 HD1 TYR 140 2.313 3.714 7.113 1217 HD2 TYR 140 HD2 TYR 140 4.999 2.292 4.137 1218 HE1 TYR 140 HE1 TYR 140 1.079 4.976 5.397 1219 HE2 TYR 140 HE2 TYR 140 3.776 3.549 2.423 1220 HH TYR 140 HH TYR 140 1.607 5.971 3.054 1221 H LYS 141 H LYS 141 5.242 3.721 9.880 1222 HA LYS 141 HA LYS 141 6.740 1.613 11.198 1223 HB2 LYS 141 HB3 LYS 141 7.392 3.745 11.947 1224 HB3 LYS 141 HB2 LYS 141 5.770 4.394 11.794 1225 HG2 LYS 141 HG3 LYS 141 6.396 4.264 14.099 1226 HG3 LYS 141 HG2 LYS 141 5.090 3.121 13.765 1227 HD2 LYS 141 HD3 LYS 141 6.737 2.093 15.148 1228 HD3 LYS 141 HD2 LYS 141 6.753 1.324 13.578 1229 HE2 LYS 141 HE3 LYS 141 9.018 1.725 14.474 1230 HE3 LYS 141 HE2 LYS 141 8.719 2.555 12.948 1231 HZ1 LYS 141 HZ1 LYS 141 8.497 3.850 15.607 1232 HZ2 LYS 141 HZ2 LYS 141 8.430 4.615 14.095 1233 HZ3 LYS 141 HZ3 LYS 141 9.878 3.918 14.635 1234 H LYS 142 H LYS 142 5.576 0.220 12.703 1235 HA LYS 142 HA LYS 142 2.959 -0.440 12.284 1236 HB2 LYS 142 HB3 LYS 142 4.476 -0.545 14.888 1237 HB3 LYS 142 HB2 LYS 142 2.921 -1.320 14.628 1238 HG2 LYS 142 HG3 LYS 142 3.932 -2.645 12.800 1239 HG3 LYS 142 HG2 LYS 142 5.495 -1.926 13.190 1240 HD2 LYS 142 HD3 LYS 142 5.340 -4.090 14.239 1241 HD3 LYS 142 HD2 LYS 142 5.288 -2.844 15.487 1242 HE2 LYS 142 HE3 LYS 142 2.845 -3.043 15.570 1243 HE3 LYS 142 HE2 LYS 142 2.909 -4.296 14.332 1244 HZ1 LYS 142 HZ1 LYS 142 4.164 -4.474 17.015 1245 HZ2 LYS 142 HZ2 LYS 142 4.161 -5.687 15.838 1246 HZ3 LYS 142 HZ3 LYS 142 2.711 -5.213 16.565 1247 H GLN 143 H GLN 143 0.870 0.048 13.433 1248 HA GLN 143 HA GLN 143 0.549 2.622 14.489 1249 HB2 GLN 143 HB3 GLN 143 -1.023 0.091 14.755 1250 HB3 GLN 143 HB2 GLN 143 -1.452 1.486 15.730 1251 HG2 GLN 143 HG3 GLN 143 -1.166 1.671 12.755 1252 HG3 GLN 143 HG2 GLN 143 -2.672 1.171 13.523 1253 HE21 GLN 143 HE21 GLN 143 -2.168 3.528 11.914 1254 HE22 GLN 143 HE22 GLN 143 -2.537 4.889 12.912 1255 H21 OLA1001 H21 OLA1001 -0.208 5.932 -1.763 1256 H22 OLA1001 H22 OLA1001 1.378 5.716 -1.016 1257 H31 OLA1001 H31 OLA1001 0.777 7.936 -0.567 1258 H32 OLA1001 H32 OLA1001 0.464 7.063 0.934 1259 H41 OLA1001 H41 OLA1001 -1.897 6.932 0.398 1260 H42 OLA1001 H42 OLA1001 -1.610 7.735 -1.148 1261 H51 OLA1001 H51 OLA1001 -0.557 9.597 0.360 1262 H52 OLA1001 H52 OLA1001 -1.554 8.857 1.614 1263 H61 OLA1001 H61 OLA1001 -2.603 9.763 -1.053 1264 H62 OLA1001 H62 OLA1001 -2.627 10.756 0.400 1265 H71 OLA1001 H71 OLA1001 -4.123 9.280 1.498 1266 H72 OLA1001 H72 OLA1001 -3.915 8.040 0.255 1267 H81 OLA1001 H81 OLA1001 -6.045 9.413 0.144 1268 H82 OLA1001 H82 OLA1001 -5.104 9.278 -1.336 1269 H9 OLA1001 H9 OLA1001 -4.286 11.657 0.066 1270 H10 OLA1001 H10 OLA1001 -5.797 13.000 -1.152 1271 H111 OLA1001 H111 OLA1001 -7.585 12.302 -2.377 1272 H112 OLA1001 H112 OLA1001 -7.797 10.955 -1.276 1273 H121 OLA1001 H121 OLA1001 -7.616 10.447 -3.758 1274 H122 OLA1001 H122 OLA1001 -6.631 9.484 -2.659 1275 H131 OLA1001 H131 OLA1001 -4.716 10.981 -3.148 1276 H132 OLA1001 H132 OLA1001 -5.714 11.815 -4.336 1277 H141 OLA1001 H141 OLA1001 -4.392 10.265 -5.535 1278 H142 OLA1001 H142 OLA1001 -6.025 9.606 -5.482 1279 H151 OLA1001 H151 OLA1001 -4.454 7.833 -5.058 1280 H152 OLA1001 H152 OLA1001 -5.343 8.175 -3.575 1281 H161 OLA1001 H161 OLA1001 -3.008 7.867 -3.048 1282 H162 OLA1001 H162 OLA1001 -3.445 9.556 -2.797 1283 H171 OLA1001 H171 OLA1001 -2.513 10.101 -5.008 1284 H172 OLA1001 H172 OLA1001 -2.018 8.422 -5.194 1285 H181 OLA1001 H181 OLA1001 -0.197 9.945 -4.514 1286 H182 OLA1001 H182 OLA1001 -0.474 8.611 -3.373 1287 H183 OLA1001 H183 OLA1001 -1.073 10.240 -2.997 Start of MODEL 4 1 H1 MET -11 H1 MET -11 -0.251 -41.245 -10.777 2 H2 MET -11 H2 MET -11 -0.003 -39.598 -11.049 3 H3 MET -11 H3 MET -11 0.939 -40.740 -11.864 4 HA MET -11 HA MET -11 -0.717 -39.819 -13.326 5 HB2 MET -11 HB3 MET -11 -1.113 -42.697 -12.512 6 HB3 MET -11 HB2 MET -11 -1.891 -41.992 -13.920 7 HG2 MET -11 HG3 MET -11 1.080 -42.135 -13.474 8 HG3 MET -11 HG2 MET -11 0.147 -43.246 -14.473 9 HE1 MET -11 HE1 MET -11 1.751 -42.781 -16.517 10 HE2 MET -11 HE2 MET -11 2.700 -41.658 -15.544 11 HE3 MET -11 HE3 MET -11 2.118 -41.172 -17.135 12 H ARG -10 H ARG -10 -2.191 -41.505 -10.561 13 HA ARG -10 HA ARG -10 -4.826 -40.616 -11.215 14 HB2 ARG -10 HB3 ARG -10 -3.753 -41.741 -8.618 15 HB3 ARG -10 HB2 ARG -10 -5.453 -41.580 -9.048 16 HG2 ARG -10 HG3 ARG -10 -5.161 -43.155 -10.874 17 HG3 ARG -10 HG2 ARG -10 -3.442 -43.283 -10.509 18 HD2 ARG -10 HD3 ARG -10 -4.064 -44.135 -8.248 19 HD3 ARG -10 HD2 ARG -10 -5.748 -44.151 -8.774 20 HE ARG -10 HE ARG -10 -3.887 -45.615 -10.452 21 HH11 ARG -10 HH11 ARG -10 -6.201 -45.760 -7.835 22 HH12 ARG -10 HH12 ARG -10 -6.461 -47.467 -7.991 23 HH21 ARG -10 HH21 ARG -10 -4.223 -47.863 -10.661 24 HH22 ARG -10 HH22 ARG -10 -5.336 -48.663 -9.598 25 H GLY -9 H GLY -9 -5.888 -38.827 -10.566 26 HA2 GLY -9 HA3 GLY -9 -6.252 -36.958 -9.105 27 HA3 GLY -9 HA2 GLY -9 -4.557 -37.039 -8.642 28 H SER -8 H SER -8 -2.972 -36.560 -10.355 29 HA SER -8 HA SER -8 -2.094 -35.493 -12.142 30 HB2 SER -8 HB3 SER -8 -3.777 -36.578 -13.513 31 HB3 SER -8 HB2 SER -8 -4.952 -35.328 -13.111 32 HG SER -8 HG SER -8 -4.204 -34.394 -14.836 33 H HIS -7 H HIS -7 -5.064 -33.832 -11.071 34 HA HIS -7 HA HIS -7 -4.385 -31.301 -12.054 35 HB2 HIS -7 HB3 HIS -7 -6.652 -32.116 -11.245 36 HB3 HIS -7 HB2 HIS -7 -6.080 -31.806 -9.612 37 HD1 HIS -7 HD1 HIS -7 -7.232 -29.751 -8.853 38 HD2 HIS -7 HD2 HIS -7 -5.913 -29.434 -12.785 39 HE1 HIS -7 HE1 HIS -7 -7.814 -27.412 -9.580 40 HE2 HIS -7 HE2 HIS -7 -7.036 -27.251 -11.969 41 H HIS -6 H HIS -6 -4.054 -32.577 -8.743 42 HA HIS -6 HA HIS -6 -2.802 -31.919 -6.962 43 HB2 HIS -6 HB3 HIS -6 -0.895 -31.219 -9.195 44 HB3 HIS -6 HB2 HIS -6 -0.453 -31.210 -7.493 45 HD1 HIS -6 HD1 HIS -6 -0.215 -33.280 -10.341 46 HD2 HIS -6 HD2 HIS -6 -1.083 -33.956 -6.331 47 HE1 HIS -6 HE1 HIS -6 0.244 -35.722 -9.948 48 HE2 HIS -6 HE2 HIS -6 -0.195 -36.087 -7.496 49 H HIS -5 H HIS -5 -4.540 -30.179 -6.810 50 HA HIS -5 HA HIS -5 -3.131 -27.647 -6.492 51 HB2 HIS -5 HB3 HIS -5 -4.276 -27.597 -8.701 52 HB3 HIS -5 HB2 HIS -5 -5.811 -27.788 -7.868 53 HD1 HIS -5 HD1 HIS -5 -6.970 -25.655 -7.364 54 HD2 HIS -5 HD2 HIS -5 -2.868 -25.133 -7.764 55 HE1 HIS -5 HE1 HIS -5 -6.586 -23.175 -7.209 56 HE2 HIS -5 HE2 HIS -5 -4.118 -22.877 -7.607 57 H HIS -4 H HIS -4 -3.338 -28.744 -4.325 58 HA HIS -4 HA HIS -4 -5.869 -27.898 -3.086 59 HB2 HIS -4 HB3 HIS -4 -5.569 -30.423 -3.326 60 HB3 HIS -4 HB2 HIS -4 -4.277 -30.276 -2.142 61 HD1 HIS -4 HD1 HIS -4 -7.988 -30.122 -2.503 62 HD2 HIS -4 HD2 HIS -4 -5.131 -29.805 0.501 63 HE1 HIS -4 HE1 HIS -4 -9.261 -30.257 -0.344 64 HE2 HIS -4 HE2 HIS -4 -7.514 -30.106 1.462 65 H HIS -3 H HIS -3 -2.474 -27.764 -3.118 66 HA HIS -3 HA HIS -3 -2.552 -26.010 -0.796 67 HB2 HIS -3 HB3 HIS -3 -0.451 -27.010 0.128 68 HB3 HIS -3 HB2 HIS -3 -1.858 -28.055 0.250 69 HD1 HIS -3 HD1 HIS -3 -1.465 -30.382 -0.428 70 HD2 HIS -3 HD2 HIS -3 1.230 -27.789 -2.242 71 HE1 HIS -3 HE1 HIS -3 0.125 -31.848 -1.711 72 HE2 HIS -3 HE2 HIS -3 1.843 -30.268 -2.658 73 H HIS -2 H HIS -2 -2.381 -25.543 -3.595 74 HA HIS -2 HA HIS -2 0.091 -24.003 -3.604 75 HB2 HIS -2 HB3 HIS -2 0.621 -26.138 -4.779 76 HB3 HIS -2 HB2 HIS -2 -0.665 -25.792 -5.929 77 HD1 HIS -2 HD1 HIS -2 2.758 -24.602 -4.892 78 HD2 HIS -2 HD2 HIS -2 -0.000 -24.014 -7.947 79 HE1 HIS -2 HE1 HIS -2 3.969 -23.280 -6.657 80 HE2 HIS -2 HE2 HIS -2 2.267 -22.896 -8.476 81 H GLY -1 H GLY -1 -1.820 -22.569 -3.108 82 HA2 GLY -1 HA3 GLY -1 -3.102 -21.696 -5.616 83 HA3 GLY -1 HA2 GLY -1 -3.755 -21.413 -4.007 84 H SER 0 H SER 0 -2.651 -19.938 -2.621 85 HA SER 0 HA SER 0 -1.405 -17.774 -4.153 86 HB2 SER 0 HB3 SER 0 -2.408 -17.597 -1.320 87 HB3 SER 0 HB2 SER 0 -2.228 -16.304 -2.509 88 HG SER 0 HG SER 0 -4.345 -17.900 -2.023 89 H LYS 1 H LYS 1 0.569 -16.943 -3.583 90 HA LYS 1 HA LYS 1 2.387 -18.403 -1.986 91 HB2 LYS 1 HB3 LYS 1 2.487 -15.439 -2.603 92 HB3 LYS 1 HB2 LYS 1 3.841 -16.471 -2.179 93 HG2 LYS 1 HG3 LYS 1 3.698 -17.628 -4.271 94 HG3 LYS 1 HG2 LYS 1 2.201 -16.787 -4.683 95 HD2 LYS 1 HD3 LYS 1 3.398 -14.661 -4.744 96 HD3 LYS 1 HD2 LYS 1 4.894 -15.478 -4.289 97 HE2 LYS 1 HE3 LYS 1 4.826 -16.775 -6.349 98 HE3 LYS 1 HE2 LYS 1 3.302 -16.012 -6.795 99 HZ1 LYS 1 HZ1 LYS 1 5.281 -15.050 -7.895 100 HZ2 LYS 1 HZ2 LYS 1 5.838 -14.518 -6.388 101 HZ3 LYS 1 HZ3 LYS 1 4.382 -13.913 -7.022 102 H THR 2 H THR 2 2.757 -18.289 0.234 103 HA THR 2 HA THR 2 0.627 -17.071 1.735 104 HB THR 2 HB THR 2 3.027 -18.196 3.087 105 HG1 THR 2 HG1 THR 2 2.697 -20.153 2.312 106 HG21 THR 2 HG21 THR 2 1.289 -19.114 4.582 107 HG22 THR 2 HG22 THR 2 0.050 -18.396 3.550 108 HG23 THR 2 HG23 THR 2 1.178 -17.360 4.425 109 H LEU 3 H LEU 3 0.629 -15.102 2.521 110 HA LEU 3 HA LEU 3 2.647 -13.230 2.127 111 HB2 LEU 3 HB3 LEU 3 0.061 -13.266 3.325 112 HB3 LEU 3 HB2 LEU 3 1.160 -12.432 4.404 113 HG LEU 3 HG LEU 3 0.348 -11.678 1.611 114 HD11 LEU 3 HD11 LEU 3 0.462 -10.181 4.213 115 HD12 LEU 3 HD12 LEU 3 -0.988 -10.883 3.490 116 HD13 LEU 3 HD13 LEU 3 -0.148 -9.558 2.681 117 HD21 LEU 3 HD21 LEU 3 2.030 -9.829 1.802 118 HD22 LEU 3 HD22 LEU 3 2.711 -11.426 1.518 119 HD23 LEU 3 HD23 LEU 3 2.759 -10.723 3.139 120 HA PRO 4 HA PRO 4 5.603 -14.303 5.352 121 HB2 PRO 4 HB3 PRO 4 6.464 -11.537 4.674 122 HB3 PRO 4 HB2 PRO 4 7.423 -13.018 4.770 123 HG2 PRO 4 HG3 PRO 4 6.786 -11.950 2.411 124 HG3 PRO 4 HG2 PRO 4 6.818 -13.707 2.645 125 HD2 PRO 4 HD3 PRO 4 4.476 -11.862 2.472 126 HD3 PRO 4 HD2 PRO 4 4.657 -13.524 1.876 127 H ASP 5 H ASP 5 5.215 -14.045 7.451 128 HA ASP 5 HA ASP 5 3.223 -12.418 8.475 129 HB2 ASP 5 HB3 ASP 5 4.066 -13.015 10.705 130 HB3 ASP 5 HB2 ASP 5 3.993 -14.412 9.640 131 H LYS 6 H LYS 6 6.572 -11.644 7.927 132 HA LYS 6 HA LYS 6 6.702 -9.398 9.616 133 HB2 LYS 6 HB3 LYS 6 8.587 -8.698 8.037 134 HB3 LYS 6 HB2 LYS 6 8.770 -10.207 8.915 135 HG2 LYS 6 HG3 LYS 6 8.160 -11.468 6.945 136 HG3 LYS 6 HG2 LYS 6 7.856 -9.974 6.056 137 HD2 LYS 6 HD3 LYS 6 10.143 -9.384 6.070 138 HD3 LYS 6 HD2 LYS 6 10.525 -10.592 7.294 139 HE2 LYS 6 HE3 LYS 6 9.546 -11.249 4.521 140 HE3 LYS 6 HE2 LYS 6 11.249 -11.189 4.977 141 HZ1 LYS 6 HZ1 LYS 6 10.401 -13.444 5.047 142 HZ2 LYS 6 HZ2 LYS 6 9.207 -12.996 6.155 143 HZ3 LYS 6 HZ3 LYS 6 10.835 -12.935 6.601 144 H PHE 7 H PHE 7 4.897 -9.823 6.739 145 HA PHE 7 HA PHE 7 4.840 -6.942 6.237 146 HB2 PHE 7 HB3 PHE 7 3.726 -9.325 4.776 147 HB3 PHE 7 HB2 PHE 7 3.147 -7.701 4.428 148 HD1 PHE 7 HD1 PHE 7 5.372 -6.003 4.305 149 HD2 PHE 7 HD2 PHE 7 5.153 -10.102 3.184 150 HE1 PHE 7 HE1 PHE 7 7.255 -5.679 2.759 151 HE2 PHE 7 HE2 PHE 7 7.037 -9.784 1.639 152 HZ PHE 7 HZ PHE 7 8.072 -7.535 1.412 153 H LEU 8 H LEU 8 3.422 -9.003 8.352 154 HA LEU 8 HA LEU 8 0.699 -8.017 7.959 155 HB2 LEU 8 HB3 LEU 8 1.710 -10.264 9.703 156 HB3 LEU 8 HB2 LEU 8 0.028 -9.843 9.441 157 HG LEU 8 HG LEU 8 1.919 -10.813 7.294 158 HD11 LEU 8 HD11 LEU 8 -0.360 -12.278 8.605 159 HD12 LEU 8 HD12 LEU 8 1.346 -12.546 8.954 160 HD13 LEU 8 HD13 LEU 8 0.716 -12.884 7.342 161 HD21 LEU 8 HD21 LEU 8 -1.021 -10.171 7.266 162 HD22 LEU 8 HD22 LEU 8 -0.191 -11.067 5.995 163 HD23 LEU 8 HD23 LEU 8 0.264 -9.399 6.334 164 H GLY 9 H GLY 9 -0.466 -7.071 9.570 165 HA2 GLY 9 HA3 GLY 9 -0.387 -6.462 12.065 166 HA3 GLY 9 HA2 GLY 9 1.173 -5.770 11.651 167 H THR 10 H THR 10 -0.611 -4.103 12.768 168 HA THR 10 HA THR 10 -1.746 -2.561 10.549 169 HB THR 10 HB THR 10 -2.099 -2.056 13.510 170 HG1 THR 10 HG1 THR 10 -2.930 -4.163 12.310 171 HG21 THR 10 HG21 THR 10 -4.051 -0.791 12.804 172 HG22 THR 10 HG22 THR 10 -3.743 -1.218 11.123 173 HG23 THR 10 HG23 THR 10 -2.610 -0.182 11.989 174 H PHE 11 H PHE 11 -0.669 -0.824 9.826 175 HA PHE 11 HA PHE 11 1.629 0.122 11.420 176 HB2 PHE 11 HB3 PHE 11 1.329 0.049 8.409 177 HB3 PHE 11 HB2 PHE 11 2.757 0.567 9.293 178 HD1 PHE 11 HD1 PHE 11 4.058 -1.124 10.601 179 HD2 PHE 11 HD2 PHE 11 0.940 -2.215 7.919 180 HE1 PHE 11 HE1 PHE 11 4.939 -3.418 10.517 181 HE2 PHE 11 HE2 PHE 11 1.813 -4.514 7.831 182 HZ PHE 11 HZ PHE 11 3.816 -5.118 9.131 183 H LYS 12 H LYS 12 1.707 2.301 11.949 184 HA LYS 12 HA LYS 12 0.013 4.148 10.439 185 HB2 LYS 12 HB3 LYS 12 0.880 5.885 11.932 186 HB3 LYS 12 HB2 LYS 12 0.235 4.526 12.836 187 HG2 LYS 12 HG3 LYS 12 2.445 3.729 13.317 188 HG3 LYS 12 HG2 LYS 12 3.154 4.972 12.282 189 HD2 LYS 12 HD3 LYS 12 3.340 5.664 14.580 190 HD3 LYS 12 HD2 LYS 12 2.170 6.693 13.755 191 HE2 LYS 12 HE3 LYS 12 0.346 5.337 14.697 192 HE3 LYS 12 HE2 LYS 12 1.535 4.364 15.560 193 HZ1 LYS 12 HZ1 LYS 12 0.602 6.032 17.002 194 HZ2 LYS 12 HZ2 LYS 12 1.043 7.266 15.935 195 HZ3 LYS 12 HZ3 LYS 12 2.238 6.374 16.733 196 H LEU 13 H LEU 13 1.900 6.377 10.527 197 HA LEU 13 HA LEU 13 3.871 5.578 8.536 198 HB2 LEU 13 HB3 LEU 13 1.712 6.197 7.364 199 HB3 LEU 13 HB2 LEU 13 1.892 7.808 8.025 200 HG LEU 13 HG LEU 13 4.003 6.585 6.251 201 HD11 LEU 13 HD11 LEU 13 2.951 7.810 4.391 202 HD12 LEU 13 HD12 LEU 13 1.580 8.182 5.436 203 HD13 LEU 13 HD13 LEU 13 1.936 6.509 5.007 204 HD21 LEU 13 HD21 LEU 13 3.263 9.446 6.872 205 HD22 LEU 13 HD22 LEU 13 4.565 8.918 5.804 206 HD23 LEU 13 HD23 LEU 13 4.648 8.573 7.532 207 H GLU 14 H GLU 14 5.747 6.635 8.909 208 HA GLU 14 HA GLU 14 5.662 8.722 10.957 209 HB2 GLU 14 HB3 GLU 14 7.055 6.705 11.352 210 HB3 GLU 14 HB2 GLU 14 8.032 7.139 9.958 211 HG2 GLU 14 HG3 GLU 14 8.699 9.207 11.046 212 HG3 GLU 14 HG2 GLU 14 7.688 8.814 12.435 213 H ARG 15 H ARG 15 7.176 8.068 7.788 214 HA ARG 15 HA ARG 15 7.143 10.881 7.175 215 HB2 ARG 15 HB3 ARG 15 9.544 11.130 6.854 216 HB3 ARG 15 HB2 ARG 15 9.189 10.721 8.527 217 HG2 ARG 15 HG3 ARG 15 9.816 8.404 8.101 218 HG3 ARG 15 HG2 ARG 15 10.158 8.805 6.417 219 HD2 ARG 15 HD3 ARG 15 11.519 10.062 8.783 220 HD3 ARG 15 HD2 ARG 15 12.168 8.706 7.869 221 HE ARG 15 HE ARG 15 11.557 10.945 6.203 222 HH11 ARG 15 HH11 ARG 15 13.943 9.646 8.411 223 HH12 ARG 15 HH12 ARG 15 15.263 10.521 7.702 224 HH21 ARG 15 HH21 ARG 15 13.301 12.086 5.243 225 HH22 ARG 15 HH22 ARG 15 14.898 11.913 5.917 226 H ASP 16 H ASP 16 8.787 11.053 5.089 227 HA ASP 16 HA ASP 16 8.662 8.874 3.270 228 HB2 ASP 16 HB3 ASP 16 7.027 9.797 1.688 229 HB3 ASP 16 HB2 ASP 16 6.268 9.440 3.235 230 H GLU 17 H GLU 17 9.376 9.593 1.063 231 HA GLU 17 HA GLU 17 10.895 12.097 1.128 232 HB2 GLU 17 HB3 GLU 17 12.068 9.352 0.668 233 HB3 GLU 17 HB2 GLU 17 12.904 10.846 0.278 234 HG2 GLU 17 HG3 GLU 17 11.949 10.134 3.038 235 HG3 GLU 17 HG2 GLU 17 13.568 9.789 2.436 236 H ASN 18 H ASN 18 10.916 13.111 -0.794 237 HA ASN 18 HA ASN 18 10.855 13.541 -3.030 238 HB2 ASN 18 HB3 ASN 18 12.407 11.478 -3.037 239 HB3 ASN 18 HB2 ASN 18 10.996 10.581 -3.587 240 HD21 ASN 18 HD21 ASN 18 11.964 10.092 -5.552 241 HD22 ASN 18 HD22 ASN 18 12.183 11.283 -6.791 242 H PHE 19 H PHE 19 8.473 12.963 -1.458 243 HA PHE 19 HA PHE 19 6.689 11.379 -3.050 244 HB2 PHE 19 HB3 PHE 19 6.585 11.715 -0.517 245 HB3 PHE 19 HB2 PHE 19 5.842 13.272 -0.867 246 HD1 PHE 19 HD1 PHE 19 5.466 9.642 -1.597 247 HD2 PHE 19 HD2 PHE 19 3.557 13.414 -1.131 248 HE1 PHE 19 HE1 PHE 19 3.267 8.551 -1.779 249 HE2 PHE 19 HE2 PHE 19 1.356 12.330 -1.313 250 HZ PHE 19 HZ PHE 19 1.227 9.869 -1.670 251 H ASP 20 H ASP 20 7.096 14.874 -2.495 252 HA ASP 20 HA ASP 20 4.989 15.829 -4.008 253 HB2 ASP 20 HB3 ASP 20 7.734 16.916 -3.479 254 HB3 ASP 20 HB2 ASP 20 6.646 17.759 -4.575 255 H GLU 21 H GLU 21 8.303 15.222 -5.139 256 HA GLU 21 HA GLU 21 7.855 15.848 -7.807 257 HB2 GLU 21 HB3 GLU 21 9.858 13.964 -6.569 258 HB3 GLU 21 HB2 GLU 21 9.868 14.409 -8.273 259 HG2 GLU 21 HG3 GLU 21 10.020 16.797 -7.548 260 HG3 GLU 21 HG2 GLU 21 10.259 16.215 -5.905 261 H TYR 22 H TYR 22 7.421 12.745 -6.121 262 HA TYR 22 HA TYR 22 6.688 11.253 -8.384 263 HB2 TYR 22 HB3 TYR 22 7.083 10.036 -6.393 264 HB3 TYR 22 HB2 TYR 22 5.933 11.009 -5.477 265 HD1 TYR 22 HD1 TYR 22 3.699 10.350 -5.288 266 HD2 TYR 22 HD2 TYR 22 6.162 8.526 -8.237 267 HE1 TYR 22 HE1 TYR 22 1.903 8.753 -5.789 268 HE2 TYR 22 HE2 TYR 22 4.373 6.915 -8.741 269 HH TYR 22 HH TYR 22 2.361 6.160 -8.167 270 H LEU 23 H LEU 23 4.760 13.319 -6.241 271 HA LEU 23 HA LEU 23 2.233 12.663 -7.324 272 HB2 LEU 23 HB3 LEU 23 3.187 15.173 -5.937 273 HB3 LEU 23 HB2 LEU 23 1.510 14.845 -6.334 274 HG LEU 23 HG LEU 23 3.204 13.176 -4.475 275 HD11 LEU 23 HD11 LEU 23 1.848 14.131 -2.700 276 HD12 LEU 23 HD12 LEU 23 0.991 15.130 -3.873 277 HD13 LEU 23 HD13 LEU 23 2.707 15.400 -3.571 278 HD21 LEU 23 HD21 LEU 23 1.083 12.101 -3.904 279 HD22 LEU 23 HD22 LEU 23 1.476 11.881 -5.608 280 HD23 LEU 23 HD23 LEU 23 0.261 13.065 -5.129 281 H LYS 24 H LYS 24 4.596 15.168 -8.092 282 HA LYS 24 HA LYS 24 3.047 16.533 -10.019 283 HB2 LYS 24 HB3 LYS 24 6.055 16.323 -9.781 284 HB3 LYS 24 HB2 LYS 24 5.189 17.510 -10.745 285 HG2 LYS 24 HG3 LYS 24 4.193 18.437 -8.716 286 HG3 LYS 24 HG2 LYS 24 5.064 17.244 -7.749 287 HD2 LYS 24 HD3 LYS 24 7.191 18.162 -8.536 288 HD3 LYS 24 HD2 LYS 24 6.320 19.358 -9.499 289 HE2 LYS 24 HE3 LYS 24 5.327 20.260 -7.436 290 HE3 LYS 24 HE2 LYS 24 6.244 19.086 -6.495 291 HZ1 LYS 24 HZ1 LYS 24 7.349 21.216 -6.499 292 HZ2 LYS 24 HZ2 LYS 24 7.387 21.237 -8.190 293 HZ3 LYS 24 HZ3 LYS 24 8.288 20.088 -7.341 294 H ALA 25 H ALA 25 5.465 13.978 -10.265 295 HA ALA 25 HA ALA 25 5.468 13.576 -13.021 296 HB1 ALA 25 HB1 ALA 25 6.243 11.309 -12.542 297 HB2 ALA 25 HB2 ALA 25 5.752 11.497 -10.860 298 HB3 ALA 25 HB3 ALA 25 7.050 12.493 -11.516 299 H ARG 26 H ARG 26 3.290 12.346 -10.565 300 HA ARG 26 HA ARG 26 1.773 10.648 -12.283 301 HB2 ARG 26 HB3 ARG 26 1.266 11.832 -9.572 302 HB3 ARG 26 HB2 ARG 26 0.040 10.885 -10.395 303 HG2 ARG 26 HG3 ARG 26 2.788 9.935 -9.621 304 HG3 ARG 26 HG2 ARG 26 1.282 9.553 -8.788 305 HD2 ARG 26 HD3 ARG 26 2.158 8.708 -11.535 306 HD3 ARG 26 HD2 ARG 26 1.783 7.688 -10.149 307 HE ARG 26 HE ARG 26 -0.456 9.260 -11.017 308 HH11 ARG 26 HH11 ARG 26 1.311 6.287 -11.439 309 HH12 ARG 26 HH12 ARG 26 0.036 5.495 -12.324 310 HH21 ARG 26 HH21 ARG 26 -2.157 8.232 -12.153 311 HH22 ARG 26 HH22 ARG 26 -1.954 6.605 -12.719 312 H GLY 27 H GLY 27 1.856 14.022 -11.829 313 HA2 GLY 27 HA3 GLY 27 0.748 15.522 -13.286 314 HA3 GLY 27 HA2 GLY 27 -0.483 14.300 -13.569 315 H TYR 28 H TYR 28 0.309 14.604 -10.286 316 HA TYR 28 HA TYR 28 -2.269 15.682 -9.682 317 HB2 TYR 28 HB3 TYR 28 0.105 14.943 -7.975 318 HB3 TYR 28 HB2 TYR 28 -1.349 15.668 -7.298 319 HD1 TYR 28 HD1 TYR 28 0.261 12.653 -8.088 320 HD2 TYR 28 HD2 TYR 28 -3.591 14.430 -7.921 321 HE1 TYR 28 HE1 TYR 28 -0.746 10.420 -7.956 322 HE2 TYR 28 HE2 TYR 28 -4.620 12.201 -7.771 323 HH TYR 28 HH TYR 28 -4.077 9.881 -8.347 324 H GLY 29 H GLY 29 -2.811 17.729 -9.537 325 HA2 GLY 29 HA3 GLY 29 -0.834 19.787 -9.863 326 HA3 GLY 29 HA2 GLY 29 -2.568 20.019 -9.702 327 H TRP 30 H TRP 30 -1.578 21.866 -8.434 328 HA TRP 30 HA TRP 30 -0.218 21.551 -6.046 329 HB2 TRP 30 HB3 TRP 30 -0.441 23.710 -7.092 330 HB3 TRP 30 HB2 TRP 30 -2.189 23.677 -6.904 331 HD1 TRP 30 HD1 TRP 30 1.024 24.144 -4.841 332 HE1 TRP 30 HE1 TRP 30 0.405 25.369 -2.660 333 HE3 TRP 30 HE3 TRP 30 -4.054 24.134 -5.336 334 HZ2 TRP 30 HZ2 TRP 30 -1.946 26.215 -1.327 335 HZ3 TRP 30 HZ3 TRP 30 -5.418 25.167 -3.574 336 HH2 TRP 30 HH2 TRP 30 -4.387 26.182 -1.613 337 H ILE 31 H ILE 31 -3.754 21.811 -6.512 338 HA ILE 31 HA ILE 31 -4.528 21.666 -3.862 339 HB ILE 31 HB ILE 31 -5.849 21.102 -6.446 340 HG12 ILE 31 HG13 ILE 31 -5.837 23.318 -5.342 341 HG13 ILE 31 HG12 ILE 31 -7.466 22.688 -5.577 342 HG21 ILE 31 HG21 ILE 31 -7.034 20.120 -3.854 343 HG22 ILE 31 HG22 ILE 31 -6.530 19.120 -5.216 344 HG23 ILE 31 HG23 ILE 31 -7.888 20.234 -5.392 345 HD11 ILE 31 HD11 ILE 31 -7.260 23.696 -3.399 346 HD12 ILE 31 HD12 ILE 31 -5.886 22.657 -3.025 347 HD13 ILE 31 HD13 ILE 31 -7.485 21.954 -3.240 348 H MET 32 H MET 32 -4.230 18.981 -6.151 349 HA MET 32 HA MET 32 -4.880 16.935 -4.387 350 HB2 MET 32 HB3 MET 32 -3.156 16.988 -6.847 351 HB3 MET 32 HB2 MET 32 -3.382 15.507 -5.925 352 HG2 MET 32 HG3 MET 32 -5.841 16.928 -6.564 353 HG3 MET 32 HG2 MET 32 -4.971 16.330 -7.968 354 HE1 MET 32 HE1 MET 32 -6.534 13.695 -4.515 355 HE2 MET 32 HE2 MET 32 -6.774 15.439 -4.609 356 HE3 MET 32 HE3 MET 32 -5.161 14.781 -4.336 357 H ARG 33 H ARG 33 -1.710 18.365 -5.087 358 HA ARG 33 HA ARG 33 -0.256 16.657 -3.383 359 HB2 ARG 33 HB3 ARG 33 0.358 19.472 -4.286 360 HB3 ARG 33 HB2 ARG 33 1.493 18.432 -3.438 361 HG2 ARG 33 HG3 ARG 33 1.280 16.793 -5.299 362 HG3 ARG 33 HG2 ARG 33 0.303 17.978 -6.163 363 HD2 ARG 33 HD3 ARG 33 3.150 18.356 -5.245 364 HD3 ARG 33 HD2 ARG 33 2.629 18.035 -6.894 365 HE ARG 33 HE ARG 33 1.536 20.203 -6.885 366 HH11 ARG 33 HH11 ARG 33 3.870 19.631 -4.315 367 HH12 ARG 33 HH12 ARG 33 4.239 21.314 -4.118 368 HH21 ARG 33 HH21 ARG 33 2.037 22.397 -6.624 369 HH22 ARG 33 HH22 ARG 33 3.204 22.886 -5.434 370 H GLN 34 H GLN 34 -2.239 19.447 -2.729 371 HA GLN 34 HA GLN 34 -1.179 19.893 -0.097 372 HB2 GLN 34 HB3 GLN 34 -3.792 20.801 -1.318 373 HB3 GLN 34 HB2 GLN 34 -3.144 21.356 0.217 374 HG2 GLN 34 HG3 GLN 34 -2.078 21.866 -2.539 375 HG3 GLN 34 HG2 GLN 34 -2.675 23.035 -1.363 376 HE21 GLN 34 HE21 GLN 34 -0.020 21.083 -2.366 377 HE22 GLN 34 HE22 GLN 34 1.162 21.749 -1.292 378 H VAL 35 H VAL 35 -3.929 18.110 -1.453 379 HA VAL 35 HA VAL 35 -5.020 17.454 1.104 380 HB VAL 35 HB VAL 35 -5.502 16.325 -1.663 381 HG11 VAL 35 HG11 VAL 35 -7.488 15.259 -0.784 382 HG12 VAL 35 HG12 VAL 35 -7.112 15.844 0.837 383 HG13 VAL 35 HG13 VAL 35 -6.054 14.668 0.057 384 HG21 VAL 35 HG21 VAL 35 -6.164 18.650 -1.416 385 HG22 VAL 35 HG22 VAL 35 -7.110 18.243 0.016 386 HG23 VAL 35 HG23 VAL 35 -7.582 17.611 -1.561 387 H ILE 36 H ILE 36 -3.673 15.409 -1.438 388 HA ILE 36 HA ILE 36 -3.383 13.007 -0.287 389 HB ILE 36 HB ILE 36 -1.395 14.361 -2.100 390 HG12 ILE 36 HG13 ILE 36 -3.765 12.575 -2.689 391 HG13 ILE 36 HG12 ILE 36 -3.798 14.327 -2.818 392 HG21 ILE 36 HG21 ILE 36 -0.587 12.293 -0.957 393 HG22 ILE 36 HG22 ILE 36 -0.685 12.171 -2.713 394 HG23 ILE 36 HG23 ILE 36 -1.934 11.431 -1.705 395 HD11 ILE 36 HD11 ILE 36 -2.288 12.361 -4.499 396 HD12 ILE 36 HD12 ILE 36 -1.940 14.093 -4.511 397 HD13 ILE 36 HD13 ILE 36 -3.538 13.514 -4.995 398 H LYS 37 H LYS 37 -1.000 15.664 0.152 399 HA LYS 37 HA LYS 37 0.773 13.914 1.588 400 HB2 LYS 37 HB3 LYS 37 0.874 16.899 1.187 401 HB3 LYS 37 HB2 LYS 37 2.131 15.952 1.969 402 HG2 LYS 37 HG3 LYS 37 2.253 14.619 -0.189 403 HG3 LYS 37 HG2 LYS 37 1.281 15.905 -0.905 404 HD2 LYS 37 HD3 LYS 37 3.985 16.195 0.401 405 HD3 LYS 37 HD2 LYS 37 3.624 16.336 -1.319 406 HE2 LYS 37 HE3 LYS 37 2.295 18.313 -0.921 407 HE3 LYS 37 HE2 LYS 37 2.498 18.138 0.821 408 HZ1 LYS 37 HZ1 LYS 37 3.995 19.796 -0.079 409 HZ2 LYS 37 HZ2 LYS 37 4.676 18.655 -1.131 410 HZ3 LYS 37 HZ3 LYS 37 4.870 18.489 0.543 411 H LEU 38 H LEU 38 -1.831 15.985 2.497 412 HA LEU 38 HA LEU 38 -0.832 16.301 5.208 413 HB2 LEU 38 HB3 LEU 38 -3.158 17.374 3.692 414 HB3 LEU 38 HB2 LEU 38 -3.274 17.306 5.439 415 HG LEU 38 HG LEU 38 -2.536 19.512 4.652 416 HD11 LEU 38 HD11 LEU 38 -1.827 18.720 6.849 417 HD12 LEU 38 HD12 LEU 38 -0.612 19.763 6.113 418 HD13 LEU 38 HD13 LEU 38 -0.380 18.016 6.130 419 HD21 LEU 38 HD21 LEU 38 -0.103 18.066 3.618 420 HD22 LEU 38 HD22 LEU 38 -0.341 19.813 3.652 421 HD23 LEU 38 HD23 LEU 38 -1.365 18.802 2.627 422 H ALA 39 H ALA 39 -3.087 14.325 3.459 423 HA ALA 39 HA ALA 39 -4.470 13.219 5.640 424 HB1 ALA 39 HB1 ALA 39 -5.226 13.022 3.317 425 HB2 ALA 39 HB2 ALA 39 -5.095 11.446 4.096 426 HB3 ALA 39 HB3 ALA 39 -3.852 11.975 2.963 427 H GLY 40 H GLY 40 -3.729 11.980 7.219 428 HA2 GLY 40 HA3 GLY 40 -1.176 10.664 7.098 429 HA3 GLY 40 HA2 GLY 40 -2.349 10.546 8.405 430 H VAL 41 H VAL 41 -0.849 8.352 7.215 431 HA VAL 41 HA VAL 41 -3.057 6.898 5.926 432 HB VAL 41 HB VAL 41 -0.142 6.605 5.202 433 HG11 VAL 41 HG11 VAL 41 -1.411 4.553 4.922 434 HG12 VAL 41 HG12 VAL 41 -0.991 5.237 3.351 435 HG13 VAL 41 HG13 VAL 41 -2.629 5.414 3.981 436 HG21 VAL 41 HG21 VAL 41 -2.372 7.957 3.683 437 HG22 VAL 41 HG22 VAL 41 -0.740 7.674 3.079 438 HG23 VAL 41 HG23 VAL 41 -1.000 8.757 4.446 439 H THR 42 H THR 42 -3.636 5.128 6.900 440 HA THR 42 HA THR 42 -1.681 3.681 8.567 441 HB THR 42 HB THR 42 -4.700 3.588 8.793 442 HG1 THR 42 HG1 THR 42 -3.410 5.640 9.371 443 HG21 THR 42 HG21 THR 42 -3.544 1.604 9.649 444 HG22 THR 42 HG22 THR 42 -4.253 2.542 10.963 445 HG23 THR 42 HG23 THR 42 -2.519 2.630 10.654 446 H LYS 43 H LYS 43 -0.971 1.927 7.523 447 HA LYS 43 HA LYS 43 -2.838 0.501 5.746 448 HB2 LYS 43 HB3 LYS 43 0.151 0.793 5.656 449 HB3 LYS 43 HB2 LYS 43 -0.647 -0.558 4.862 450 HG2 LYS 43 HG3 LYS 43 -2.027 1.077 3.600 451 HG3 LYS 43 HG2 LYS 43 -1.056 2.368 4.309 452 HD2 LYS 43 HD3 LYS 43 0.919 1.578 3.231 453 HD3 LYS 43 HD2 LYS 43 0.114 0.093 2.720 454 HE2 LYS 43 HE3 LYS 43 0.372 1.770 0.903 455 HE3 LYS 43 HE2 LYS 43 -1.299 1.301 1.205 456 HZ1 LYS 43 HZ1 LYS 43 -0.009 3.755 2.264 457 HZ2 LYS 43 HZ2 LYS 43 -1.638 3.327 2.413 458 HZ3 LYS 43 HZ3 LYS 43 -1.002 3.715 0.894 459 H LYS 44 H LYS 44 -3.160 -1.666 6.014 460 HA LYS 44 HA LYS 44 -1.800 -2.962 8.251 461 HB2 LYS 44 HB3 LYS 44 -4.144 -3.751 9.003 462 HB3 LYS 44 HB2 LYS 44 -3.628 -2.124 9.427 463 HG2 LYS 44 HG3 LYS 44 -4.873 -1.251 7.494 464 HG3 LYS 44 HG2 LYS 44 -5.441 -2.883 7.154 465 HD2 LYS 44 HD3 LYS 44 -5.929 -1.453 9.759 466 HD3 LYS 44 HD2 LYS 44 -7.055 -1.417 8.403 467 HE2 LYS 44 HE3 LYS 44 -7.030 -3.953 8.508 468 HE3 LYS 44 HE2 LYS 44 -6.201 -3.778 10.056 469 HZ1 LYS 44 HZ1 LYS 44 -8.078 -2.472 10.859 470 HZ2 LYS 44 HZ2 LYS 44 -8.576 -4.010 10.373 471 HZ3 LYS 44 HZ3 LYS 44 -8.874 -2.669 9.375 472 H PHE 45 H PHE 45 -1.442 -5.022 7.979 473 HA PHE 45 HA PHE 45 -2.853 -6.469 5.828 474 HB2 PHE 45 HB3 PHE 45 0.049 -6.585 6.630 475 HB3 PHE 45 HB2 PHE 45 -0.725 -7.898 5.753 476 HD1 PHE 45 HD1 PHE 45 0.271 -4.357 5.572 477 HD2 PHE 45 HD2 PHE 45 -1.151 -7.759 3.447 478 HE1 PHE 45 HE1 PHE 45 0.736 -3.219 3.442 479 HE2 PHE 45 HE2 PHE 45 -0.690 -6.627 1.317 480 HZ PHE 45 HZ PHE 45 0.255 -4.355 1.311 481 H ARG 46 H ARG 46 -3.568 -8.506 6.303 482 HA ARG 46 HA ARG 46 -2.870 -9.877 8.719 483 HB2 ARG 46 HB3 ARG 46 -5.135 -9.713 9.735 484 HB3 ARG 46 HB2 ARG 46 -4.283 -8.170 9.711 485 HG2 ARG 46 HG3 ARG 46 -5.533 -7.588 7.647 486 HG3 ARG 46 HG2 ARG 46 -6.458 -9.076 7.844 487 HD2 ARG 46 HD3 ARG 46 -7.290 -8.294 9.987 488 HD3 ARG 46 HD2 ARG 46 -6.320 -6.827 9.843 489 HE ARG 46 HE ARG 46 -7.871 -6.936 7.563 490 HH11 ARG 46 HH11 ARG 46 -8.459 -6.769 11.014 491 HH12 ARG 46 HH12 ARG 46 -9.949 -5.897 10.834 492 HH21 ARG 46 HH21 ARG 46 -9.780 -5.812 7.322 493 HH22 ARG 46 HH22 ARG 46 -10.706 -5.332 8.717 494 H ASN 47 H ASN 47 -4.376 -11.738 9.053 495 HA ASN 47 HA ASN 47 -4.903 -13.186 6.675 496 HB2 ASN 47 HB3 ASN 47 -5.892 -13.570 9.503 497 HB3 ASN 47 HB2 ASN 47 -6.235 -14.708 8.201 498 HD21 ASN 47 HD21 ASN 47 -4.520 -15.922 7.328 499 HD22 ASN 47 HD22 ASN 47 -3.035 -16.128 8.185 500 H ALA 48 H ALA 48 -7.145 -13.929 5.977 501 HA ALA 48 HA ALA 48 -8.577 -11.779 5.060 502 HB1 ALA 48 HB1 ALA 48 -10.309 -13.327 4.424 503 HB2 ALA 48 HB2 ALA 48 -9.704 -14.525 5.568 504 HB3 ALA 48 HB3 ALA 48 -8.724 -14.066 4.168 505 H ALA 49 H ALA 49 -10.476 -10.770 5.556 506 HA ALA 49 HA ALA 49 -10.899 -9.825 8.037 507 HB1 ALA 49 HB1 ALA 49 -13.071 -10.284 6.012 508 HB2 ALA 49 HB2 ALA 49 -11.919 -8.948 5.986 509 HB3 ALA 49 HB3 ALA 49 -13.079 -9.086 7.309 510 H SER 50 H SER 50 -13.103 -12.243 6.661 511 HA SER 50 HA SER 50 -14.328 -12.902 9.116 512 HB2 SER 50 HB3 SER 50 -14.090 -14.426 6.517 513 HB3 SER 50 HB2 SER 50 -15.088 -14.956 7.863 514 HG SER 50 HG SER 50 -16.416 -13.241 7.581 515 H GLY 51 H GLY 51 -11.674 -14.299 7.313 516 HA2 GLY 51 HA3 GLY 51 -9.740 -14.944 8.775 517 HA3 GLY 51 HA2 GLY 51 -10.921 -15.826 9.730 518 H LYS 52 H LYS 52 -11.019 -15.689 6.252 519 HA LYS 52 HA LYS 52 -10.999 -18.518 6.006 520 HB2 LYS 52 HB3 LYS 52 -10.601 -16.397 3.887 521 HB3 LYS 52 HB2 LYS 52 -10.962 -18.090 3.586 522 HG2 LYS 52 HG3 LYS 52 -13.114 -17.788 4.778 523 HG3 LYS 52 HG2 LYS 52 -12.752 -16.065 4.909 524 HD2 LYS 52 HD3 LYS 52 -14.151 -16.295 3.012 525 HD3 LYS 52 HD2 LYS 52 -12.518 -16.058 2.388 526 HE2 LYS 52 HE3 LYS 52 -13.420 -17.809 1.105 527 HE3 LYS 52 HE2 LYS 52 -12.354 -18.590 2.271 528 HZ1 LYS 52 HZ1 LYS 52 -14.419 -19.782 2.109 529 HZ2 LYS 52 HZ2 LYS 52 -15.307 -18.387 2.459 530 HZ3 LYS 52 HZ3 LYS 52 -14.311 -19.070 3.640 531 HA PRO 53 HA PRO 53 -6.620 -19.093 5.879 532 HB2 PRO 53 HB3 PRO 53 -6.506 -21.559 4.832 533 HB3 PRO 53 HB2 PRO 53 -7.139 -21.272 6.459 534 HG2 PRO 53 HG3 PRO 53 -8.623 -21.680 3.896 535 HG3 PRO 53 HG2 PRO 53 -8.946 -22.378 5.493 536 HD2 PRO 53 HD3 PRO 53 -10.297 -20.224 4.492 537 HD3 PRO 53 HD2 PRO 53 -10.034 -20.493 6.230 538 H ASP 54 H ASP 54 -5.016 -18.675 4.514 539 HA ASP 54 HA ASP 54 -3.732 -18.577 2.632 540 HB2 ASP 54 HB3 ASP 54 -4.796 -20.537 1.649 541 HB3 ASP 54 HB2 ASP 54 -6.198 -19.584 1.187 542 H ARG 55 H ARG 55 -7.064 -17.584 1.942 543 HA ARG 55 HA ARG 55 -6.448 -15.126 0.771 544 HB2 ARG 55 HB3 ARG 55 -8.906 -15.737 2.423 545 HB3 ARG 55 HB2 ARG 55 -8.747 -14.487 1.198 546 HG2 ARG 55 HG3 ARG 55 -8.510 -17.426 0.646 547 HG3 ARG 55 HG2 ARG 55 -9.998 -16.503 0.461 548 HD2 ARG 55 HD3 ARG 55 -7.425 -15.869 -0.968 549 HD3 ARG 55 HD2 ARG 55 -8.699 -16.875 -1.649 550 HE ARG 55 HE ARG 55 -9.521 -14.232 -0.784 551 HH11 ARG 55 HH11 ARG 55 -8.464 -16.247 -3.455 552 HH12 ARG 55 HH12 ARG 55 -9.028 -15.148 -4.677 553 HH21 ARG 55 HH21 ARG 55 -10.290 -12.802 -2.379 554 HH22 ARG 55 HH22 ARG 55 -10.101 -13.208 -4.061 555 H TYR 56 H TYR 56 -5.990 -13.157 1.514 556 HA TYR 56 HA TYR 56 -5.793 -12.793 4.435 557 HB2 TYR 56 HB3 TYR 56 -4.032 -11.870 2.186 558 HB3 TYR 56 HB2 TYR 56 -4.012 -11.049 3.742 559 HD1 TYR 56 HD1 TYR 56 -2.952 -13.988 1.885 560 HD2 TYR 56 HD2 TYR 56 -3.268 -12.268 5.760 561 HE1 TYR 56 HE1 TYR 56 -1.349 -15.640 2.745 562 HE2 TYR 56 HE2 TYR 56 -1.669 -13.914 6.630 563 HH TYR 56 HH TYR 56 0.287 -15.774 4.700 564 H ASP 57 H ASP 57 -5.619 -10.291 4.892 565 HA ASP 57 HA ASP 57 -7.578 -8.832 3.257 566 HB2 ASP 57 HB3 ASP 57 -8.766 -9.800 5.207 567 HB3 ASP 57 HB2 ASP 57 -7.634 -8.998 6.283 568 H MET 58 H MET 58 -7.161 -6.664 3.073 569 HA MET 58 HA MET 58 -5.000 -5.503 4.664 570 HB2 MET 58 HB3 MET 58 -3.954 -6.503 2.635 571 HB3 MET 58 HB2 MET 58 -4.990 -5.499 1.633 572 HG2 MET 58 HG3 MET 58 -3.121 -4.305 3.646 573 HG3 MET 58 HG2 MET 58 -2.579 -4.754 2.030 574 HE1 MET 58 HE1 MET 58 -2.824 -0.846 1.943 575 HE2 MET 58 HE2 MET 58 -1.761 -2.244 1.732 576 HE3 MET 58 HE3 MET 58 -2.388 -1.836 3.333 577 H GLU 59 H GLU 59 -5.176 -3.246 4.860 578 HA GLU 59 HA GLU 59 -7.395 -1.988 3.474 579 HB2 GLU 59 HB3 GLU 59 -8.489 -3.000 5.368 580 HB3 GLU 59 HB2 GLU 59 -7.275 -2.377 6.466 581 HG2 GLU 59 HG3 GLU 59 -8.069 -0.132 6.150 582 HG3 GLU 59 HG2 GLU 59 -9.201 -0.673 4.911 583 H ASN 60 H ASN 60 -7.427 0.243 3.496 584 HA ASN 60 HA ASN 60 -5.001 1.551 4.550 585 HB2 ASN 60 HB3 ASN 60 -6.419 2.130 1.938 586 HB3 ASN 60 HB2 ASN 60 -5.091 3.075 2.595 587 HD21 ASN 60 HD21 ASN 60 -6.018 0.166 0.992 588 HD22 ASN 60 HD22 ASN 60 -4.418 -0.387 0.628 589 H LEU 61 H LEU 61 -5.710 2.740 6.213 590 HA LEU 61 HA LEU 61 -8.182 4.292 5.835 591 HB2 LEU 61 HB3 LEU 61 -6.756 3.434 8.350 592 HB3 LEU 61 HB2 LEU 61 -8.090 4.570 8.335 593 HG LEU 61 HG LEU 61 -8.218 1.687 7.448 594 HD11 LEU 61 HD11 LEU 61 -8.008 1.908 9.855 595 HD12 LEU 61 HD12 LEU 61 -9.643 1.407 9.424 596 HD13 LEU 61 HD13 LEU 61 -9.326 3.080 9.880 597 HD21 LEU 61 HD21 LEU 61 -10.642 2.084 7.303 598 HD22 LEU 61 HD22 LEU 61 -9.735 3.065 6.150 599 HD23 LEU 61 HD23 LEU 61 -10.366 3.796 7.624 600 H THR 62 H THR 62 -8.011 6.421 5.575 601 HA THR 62 HA THR 62 -5.585 7.751 6.524 602 HB THR 62 HB THR 62 -5.412 9.082 4.509 603 HG1 THR 62 HG1 THR 62 -6.889 8.183 2.703 604 HG21 THR 62 HG21 THR 62 -4.233 6.962 4.423 605 HG22 THR 62 HG22 THR 62 -4.873 7.354 2.828 606 HG23 THR 62 HG23 THR 62 -5.682 6.153 3.833 607 H THR 63 H THR 63 -6.124 10.317 6.037 608 HA THR 63 HA THR 63 -8.424 10.805 7.701 609 HB THR 63 HB THR 63 -7.642 13.062 7.822 610 HG1 THR 63 HG1 THR 63 -6.944 13.849 5.973 611 HG21 THR 63 HG21 THR 63 -5.209 12.726 8.335 612 HG22 THR 63 HG22 THR 63 -5.363 11.095 7.673 613 HG23 THR 63 HG23 THR 63 -6.287 11.557 9.104 614 H LYS 64 H LYS 64 -7.612 10.940 4.338 615 HA LYS 64 HA LYS 64 -9.938 12.622 3.752 616 HB2 LYS 64 HB3 LYS 64 -7.547 13.179 2.955 617 HB3 LYS 64 HB2 LYS 64 -7.769 11.866 1.813 618 HG2 LYS 64 HG3 LYS 64 -8.265 13.928 0.728 619 HG3 LYS 64 HG2 LYS 64 -9.768 13.024 0.932 620 HD2 LYS 64 HD3 LYS 64 -10.302 14.377 2.910 621 HD3 LYS 64 HD2 LYS 64 -8.802 15.278 2.694 622 HE2 LYS 64 HE3 LYS 64 -10.573 16.589 1.786 623 HE3 LYS 64 HE2 LYS 64 -9.629 15.958 0.439 624 HZ1 LYS 64 HZ1 LYS 64 -12.007 15.784 0.042 625 HZ2 LYS 64 HZ2 LYS 64 -12.191 14.824 1.422 626 HZ3 LYS 64 HZ3 LYS 64 -11.294 14.251 0.107 627 H LYS 65 H LYS 65 -8.750 9.418 3.503 628 HA LYS 65 HA LYS 65 -10.954 8.660 1.753 629 HB2 LYS 65 HB3 LYS 65 -8.050 8.436 1.100 630 HB3 LYS 65 HB2 LYS 65 -9.139 7.187 0.529 631 HG2 LYS 65 HG3 LYS 65 -9.382 10.127 -0.054 632 HG3 LYS 65 HG2 LYS 65 -8.784 8.888 -1.163 633 HD2 LYS 65 HD3 LYS 65 -10.988 7.745 -0.970 634 HD3 LYS 65 HD2 LYS 65 -11.561 9.105 -0.009 635 HE2 LYS 65 HE3 LYS 65 -11.120 10.611 -1.884 636 HE3 LYS 65 HE2 LYS 65 -10.563 9.245 -2.847 637 HZ1 LYS 65 HZ1 LYS 65 -13.308 9.705 -1.814 638 HZ2 LYS 65 HZ2 LYS 65 -12.807 8.260 -2.534 639 HZ3 LYS 65 HZ3 LYS 65 -12.805 9.694 -3.431 640 H ASP 66 H ASP 66 -9.702 6.054 1.340 641 HA ASP 66 HA ASP 66 -9.387 4.458 3.452 642 HB2 ASP 66 HB3 ASP 66 -11.568 3.779 4.294 643 HB3 ASP 66 HB2 ASP 66 -11.362 5.504 4.545 644 H THR 67 H THR 67 -9.132 2.464 2.656 645 HA THR 67 HA THR 67 -10.960 1.491 0.589 646 HB THR 67 HB THR 67 -9.112 0.485 -0.711 647 HG1 THR 67 HG1 THR 67 -7.186 2.147 0.379 648 HG21 THR 67 HG21 THR 67 -9.994 2.601 -1.500 649 HG22 THR 67 HG22 THR 67 -8.253 2.551 -1.771 650 HG23 THR 67 HG23 THR 67 -8.913 3.481 -0.427 651 H HIS 68 H HIS 68 -10.974 -0.884 0.490 652 HA HIS 68 HA HIS 68 -9.628 -2.199 2.715 653 HB2 HIS 68 HB3 HIS 68 -11.854 -1.437 3.560 654 HB3 HIS 68 HB2 HIS 68 -12.621 -2.409 2.311 655 HD1 HIS 68 HD1 HIS 68 -13.381 -3.062 5.128 656 HD2 HIS 68 HD2 HIS 68 -10.109 -4.804 3.245 657 HE1 HIS 68 HE1 HIS 68 -12.949 -5.215 6.363 658 HE2 HIS 68 HE2 HIS 68 -11.033 -6.314 5.121 659 H HIS 69 H HIS 69 -8.438 -3.484 1.428 660 HA HIS 69 HA HIS 69 -9.571 -4.992 -0.749 661 HB2 HIS 69 HB3 HIS 69 -6.922 -5.379 0.670 662 HB3 HIS 69 HB2 HIS 69 -7.383 -6.077 -0.875 663 HD1 HIS 69 HD1 HIS 69 -8.491 -3.503 -2.243 664 HD2 HIS 69 HD2 HIS 69 -4.921 -3.725 -0.110 665 HE1 HIS 69 HE1 HIS 69 -7.043 -1.648 -3.129 666 HE2 HIS 69 HE2 HIS 69 -4.795 -2.010 -2.043 667 H LYS 70 H LYS 70 -11.293 -6.056 0.290 668 HA LYS 70 HA LYS 70 -10.814 -7.654 2.627 669 HB2 LYS 70 HB3 LYS 70 -13.251 -8.297 2.224 670 HB3 LYS 70 HB2 LYS 70 -12.903 -6.610 2.575 671 HG2 LYS 70 HG3 LYS 70 -12.903 -6.236 0.070 672 HG3 LYS 70 HG2 LYS 70 -13.602 -7.852 -0.067 673 HD2 LYS 70 HD3 LYS 70 -15.434 -6.370 -0.055 674 HD3 LYS 70 HD2 LYS 70 -15.357 -7.046 1.571 675 HE2 LYS 70 HE3 LYS 70 -14.095 -5.032 2.292 676 HE3 LYS 70 HE2 LYS 70 -14.358 -4.348 0.690 677 HZ1 LYS 70 HZ1 LYS 70 -15.982 -3.527 2.264 678 HZ2 LYS 70 HZ2 LYS 70 -16.477 -5.101 2.625 679 HZ3 LYS 70 HZ3 LYS 70 -16.745 -4.466 1.081 680 H ASP 71 H ASP 71 -10.071 -9.583 2.672 681 HA ASP 71 HA ASP 71 -9.411 -11.659 2.160 682 HB2 ASP 71 HB3 ASP 71 -11.143 -13.249 1.488 683 HB3 ASP 71 HB2 ASP 71 -11.695 -12.164 2.750 684 H TRP 72 H TRP 72 -7.921 -10.637 0.672 685 HA TRP 72 HA TRP 72 -8.359 -11.486 -2.110 686 HB2 TRP 72 HB3 TRP 72 -6.331 -10.093 -2.595 687 HB3 TRP 72 HB2 TRP 72 -7.693 -9.169 -1.968 688 HD1 TRP 72 HD1 TRP 72 -7.458 -8.135 0.473 689 HE1 TRP 72 HE1 TRP 72 -5.417 -7.636 1.947 690 HE3 TRP 72 HE3 TRP 72 -3.944 -10.950 -1.971 691 HZ2 TRP 72 HZ2 TRP 72 -2.689 -8.341 2.046 692 HZ3 TRP 72 HZ3 TRP 72 -1.647 -10.941 -1.067 693 HH2 TRP 72 HH2 TRP 72 -1.045 -9.674 0.876 694 H ALA 73 H ALA 73 -6.823 -12.824 -3.118 695 HA ALA 73 HA ALA 73 -5.075 -14.292 -1.292 696 HB1 ALA 73 HB1 ALA 73 -6.635 -15.571 -2.716 697 HB2 ALA 73 HB2 ALA 73 -4.949 -15.958 -3.051 698 HB3 ALA 73 HB3 ALA 73 -5.847 -14.907 -4.143 699 H LEU 74 H LEU 74 -2.849 -14.207 -1.503 700 HA LEU 74 HA LEU 74 -1.615 -12.283 -3.098 701 HB2 LEU 74 HB3 LEU 74 -0.842 -13.763 -1.028 702 HB3 LEU 74 HB2 LEU 74 -0.145 -14.744 -2.301 703 HG LEU 74 HG LEU 74 0.440 -11.808 -1.950 704 HD11 LEU 74 HD11 LEU 74 2.536 -12.494 -0.935 705 HD12 LEU 74 HD12 LEU 74 2.067 -14.186 -1.057 706 HD13 LEU 74 HD13 LEU 74 1.175 -13.099 0.004 707 HD21 LEU 74 HD21 LEU 74 1.750 -13.973 -3.584 708 HD22 LEU 74 HD22 LEU 74 2.347 -12.323 -3.412 709 HD23 LEU 74 HD23 LEU 74 0.798 -12.628 -4.199 710 H GLY 75 H GLY 75 -1.242 -12.251 -5.212 711 HA2 GLY 75 HA3 GLY 75 -0.847 -13.129 -7.364 712 HA3 GLY 75 HA2 GLY 75 -1.205 -14.737 -6.750 713 H GLU 76 H GLU 76 -3.402 -12.248 -5.901 714 HA GLU 76 HA GLU 76 -5.367 -13.318 -7.805 715 HB2 GLU 76 HB3 GLU 76 -5.901 -13.582 -5.424 716 HB3 GLU 76 HB2 GLU 76 -5.758 -11.850 -5.190 717 HG2 GLU 76 HG3 GLU 76 -8.055 -12.414 -5.260 718 HG3 GLU 76 HG2 GLU 76 -7.663 -11.543 -6.740 719 H GLU 77 H GLU 77 -6.808 -11.896 -8.828 720 HA GLU 77 HA GLU 77 -6.001 -9.059 -8.946 721 HB2 GLU 77 HB3 GLU 77 -5.174 -10.232 -10.940 722 HB3 GLU 77 HB2 GLU 77 -6.781 -10.866 -11.257 723 HG2 GLU 77 HG3 GLU 77 -7.597 -8.587 -11.630 724 HG3 GLU 77 HG2 GLU 77 -5.972 -7.967 -11.336 725 H PHE 78 H PHE 78 -7.670 -7.987 -8.078 726 HA PHE 78 HA PHE 78 -10.408 -8.852 -8.725 727 HB2 PHE 78 HB3 PHE 78 -11.081 -8.456 -6.399 728 HB3 PHE 78 HB2 PHE 78 -9.833 -9.691 -6.486 729 HD1 PHE 78 HD1 PHE 78 -7.566 -9.223 -5.704 730 HD2 PHE 78 HD2 PHE 78 -10.696 -6.365 -5.313 731 HE1 PHE 78 HE1 PHE 78 -6.215 -7.972 -4.077 732 HE2 PHE 78 HE2 PHE 78 -9.346 -5.111 -3.683 733 HZ PHE 78 HZ PHE 78 -7.127 -5.923 -3.037 734 H GLN 79 H GLN 79 -12.026 -7.143 -8.451 735 HA GLN 79 HA GLN 79 -10.892 -4.522 -9.024 736 HB2 GLN 79 HB3 GLN 79 -12.792 -5.496 -10.383 737 HB3 GLN 79 HB2 GLN 79 -13.814 -5.289 -8.968 738 HG2 GLN 79 HG3 GLN 79 -13.405 -2.885 -9.018 739 HG3 GLN 79 HG2 GLN 79 -12.366 -3.090 -10.427 740 HE21 GLN 79 HE21 GLN 79 -15.617 -3.101 -9.234 741 HE22 GLN 79 HE22 GLN 79 -16.402 -3.066 -10.778 742 H ASP 80 H ASP 80 -11.625 -2.632 -7.873 743 HA ASP 80 HA ASP 80 -12.738 -2.924 -5.241 744 HB2 ASP 80 HB3 ASP 80 -10.211 -3.704 -5.224 745 HB3 ASP 80 HB2 ASP 80 -9.888 -1.978 -5.263 746 H GLU 81 H GLU 81 -12.380 -0.722 -4.041 747 HA GLU 81 HA GLU 81 -12.421 1.441 -6.039 748 HB2 GLU 81 HB3 GLU 81 -13.900 2.679 -4.395 749 HB3 GLU 81 HB2 GLU 81 -14.642 1.313 -5.211 750 HG2 GLU 81 HG3 GLU 81 -14.246 -0.062 -3.208 751 HG3 GLU 81 HG2 GLU 81 -13.587 1.356 -2.394 752 H ALA 82 H ALA 82 -10.631 2.418 -5.961 753 HA ALA 82 HA ALA 82 -8.939 2.149 -3.628 754 HB1 ALA 82 HB1 ALA 82 -8.176 1.605 -5.908 755 HB2 ALA 82 HB2 ALA 82 -7.137 2.758 -5.064 756 HB3 ALA 82 HB3 ALA 82 -8.261 3.322 -6.304 757 H LEU 83 H LEU 83 -7.302 4.110 -3.397 758 HA LEU 83 HA LEU 83 -8.640 6.164 -2.077 759 HB2 LEU 83 HB3 LEU 83 -5.860 6.191 -3.270 760 HB3 LEU 83 HB2 LEU 83 -6.472 7.400 -2.166 761 HG LEU 83 HG LEU 83 -5.073 5.997 -0.898 762 HD11 LEU 83 HD11 LEU 83 -7.922 5.178 -0.406 763 HD12 LEU 83 HD12 LEU 83 -7.078 6.565 0.279 764 HD13 LEU 83 HD13 LEU 83 -6.587 4.928 0.717 765 HD21 LEU 83 HD21 LEU 83 -5.232 3.581 -0.809 766 HD22 LEU 83 HD22 LEU 83 -4.939 4.121 -2.462 767 HD23 LEU 83 HD23 LEU 83 -6.551 3.605 -1.975 768 H ASP 84 H ASP 84 -7.752 5.784 -5.376 769 HA ASP 84 HA ASP 84 -7.895 8.552 -6.096 770 HB2 ASP 84 HB3 ASP 84 -7.614 7.748 -8.401 771 HB3 ASP 84 HB2 ASP 84 -6.422 7.057 -7.309 772 H SER 85 H SER 85 -10.317 6.694 -5.152 773 HA SER 85 HA SER 85 -12.517 7.212 -5.043 774 HB2 SER 85 HB3 SER 85 -11.934 9.344 -7.103 775 HB3 SER 85 HB2 SER 85 -13.406 9.202 -6.145 776 HG SER 85 HG SER 85 -10.873 10.091 -5.417 777 H THR 86 H THR 86 -11.076 5.846 -7.689 778 HA THR 86 HA THR 86 -13.739 5.310 -8.822 779 HB THR 86 HB THR 86 -12.648 4.772 -10.990 780 HG1 THR 86 HG1 THR 86 -10.356 5.484 -9.550 781 HG21 THR 86 HG21 THR 86 -12.308 7.104 -11.670 782 HG22 THR 86 HG22 THR 86 -12.255 7.582 -9.974 783 HG23 THR 86 HG23 THR 86 -13.735 6.906 -10.656 784 H GLN 87 H GLN 87 -13.766 3.198 -10.092 785 HA GLN 87 HA GLN 87 -12.773 1.116 -8.277 786 HB2 GLN 87 HB3 GLN 87 -14.787 0.790 -10.505 787 HB3 GLN 87 HB2 GLN 87 -14.535 -0.254 -9.113 788 HG2 GLN 87 HG3 GLN 87 -15.259 2.466 -8.393 789 HG3 GLN 87 HG2 GLN 87 -16.474 1.653 -9.375 790 HE21 GLN 87 HE21 GLN 87 -14.363 -0.106 -7.246 791 HE22 GLN 87 HE22 GLN 87 -15.568 -0.530 -6.084 792 H HIS 88 H HIS 88 -11.135 -0.168 -8.984 793 HA HIS 88 HA HIS 88 -10.988 -0.829 -11.793 794 HB2 HIS 88 HB3 HIS 88 -8.528 -0.211 -11.892 795 HB3 HIS 88 HB2 HIS 88 -9.683 1.107 -11.978 796 HD1 HIS 88 HD1 HIS 88 -7.438 -0.567 -9.410 797 HD2 HIS 88 HD2 HIS 88 -9.221 3.103 -10.220 798 HE1 HIS 88 HE1 HIS 88 -6.544 1.024 -7.675 799 HE2 HIS 88 HE2 HIS 88 -7.550 3.274 -8.253 800 H LYS 89 H LYS 89 -9.023 -2.280 -12.216 801 HA LYS 89 HA LYS 89 -9.308 -4.433 -10.345 802 HB2 LYS 89 HB3 LYS 89 -8.272 -5.807 -11.949 803 HB3 LYS 89 HB2 LYS 89 -9.197 -4.642 -12.894 804 HG2 LYS 89 HG3 LYS 89 -7.303 -3.519 -13.608 805 HG3 LYS 89 HG2 LYS 89 -6.305 -4.168 -12.305 806 HD2 LYS 89 HD3 LYS 89 -5.730 -5.223 -14.419 807 HD3 LYS 89 HD2 LYS 89 -6.448 -6.399 -13.321 808 HE2 LYS 89 HE3 LYS 89 -7.423 -6.815 -15.419 809 HE3 LYS 89 HE2 LYS 89 -8.644 -5.945 -14.497 810 HZ1 LYS 89 HZ1 LYS 89 -8.482 -5.109 -16.749 811 HZ2 LYS 89 HZ2 LYS 89 -6.842 -4.757 -16.536 812 HZ3 LYS 89 HZ3 LYS 89 -8.009 -3.913 -15.653 813 H ILE 90 H ILE 90 -7.633 -5.507 -9.289 814 HA ILE 90 HA ILE 90 -5.137 -4.047 -8.864 815 HB ILE 90 HB ILE 90 -7.163 -4.728 -6.736 816 HG12 ILE 90 HG13 ILE 90 -5.764 -2.147 -7.469 817 HG13 ILE 90 HG12 ILE 90 -7.431 -2.557 -7.853 818 HG21 ILE 90 HG21 ILE 90 -4.999 -5.503 -5.980 819 HG22 ILE 90 HG22 ILE 90 -5.505 -4.075 -5.069 820 HG23 ILE 90 HG23 ILE 90 -4.289 -3.927 -6.341 821 HD11 ILE 90 HD11 ILE 90 -7.949 -2.629 -5.468 822 HD12 ILE 90 HD12 ILE 90 -7.328 -1.056 -5.970 823 HD13 ILE 90 HD13 ILE 90 -6.285 -2.183 -5.100 824 H THR 91 H THR 91 -3.429 -5.383 -8.460 825 HA THR 91 HA THR 91 -4.012 -8.224 -7.951 826 HB THR 91 HB THR 91 -1.906 -7.147 -9.832 827 HG1 THR 91 HG1 THR 91 -4.517 -7.913 -10.162 828 HG21 THR 91 HG21 THR 91 -1.534 -9.501 -10.425 829 HG22 THR 91 HG22 THR 91 -2.682 -9.991 -9.178 830 HG23 THR 91 HG23 THR 91 -1.173 -9.195 -8.726 831 H PHE 92 H PHE 92 -2.711 -9.259 -6.544 832 HA PHE 92 HA PHE 92 -0.515 -7.718 -5.297 833 HB2 PHE 92 HB3 PHE 92 -2.390 -9.774 -4.120 834 HB3 PHE 92 HB2 PHE 92 -0.871 -9.345 -3.345 835 HD1 PHE 92 HD1 PHE 92 -4.086 -7.926 -4.527 836 HD2 PHE 92 HD2 PHE 92 -0.743 -7.501 -1.928 837 HE1 PHE 92 HE1 PHE 92 -5.211 -6.067 -3.380 838 HE2 PHE 92 HE2 PHE 92 -1.867 -5.633 -0.776 839 HZ PHE 92 HZ PHE 92 -4.106 -4.924 -1.506 840 H ASP 93 H ASP 93 1.492 -8.697 -5.200 841 HA ASP 93 HA ASP 93 1.781 -11.517 -5.692 842 HB2 ASP 93 HB3 ASP 93 1.523 -10.782 -7.993 843 HB3 ASP 93 HB2 ASP 93 2.753 -9.541 -7.765 844 H LEU 94 H LEU 94 3.777 -12.303 -5.128 845 HA LEU 94 HA LEU 94 5.556 -10.429 -3.762 846 HB2 LEU 94 HB3 LEU 94 4.852 -13.245 -3.440 847 HB3 LEU 94 HB2 LEU 94 6.584 -12.987 -3.421 848 HG LEU 94 HG LEU 94 5.360 -12.990 -1.169 849 HD11 LEU 94 HD11 LEU 94 7.654 -12.236 -1.419 850 HD12 LEU 94 HD12 LEU 94 6.783 -11.226 -0.266 851 HD13 LEU 94 HD13 LEU 94 7.088 -10.636 -1.898 852 HD21 LEU 94 HD21 LEU 94 4.717 -10.153 -1.911 853 HD22 LEU 94 HD22 LEU 94 4.231 -11.043 -0.466 854 HD23 LEU 94 HD23 LEU 94 3.540 -11.453 -2.037 855 H LYS 95 H LYS 95 7.263 -9.687 -4.798 856 HA LYS 95 HA LYS 95 8.047 -10.934 -7.324 857 HB2 LYS 95 HB3 LYS 95 7.604 -8.472 -7.185 858 HB3 LYS 95 HB2 LYS 95 8.971 -8.328 -6.093 859 HG2 LYS 95 HG3 LYS 95 10.424 -9.240 -7.897 860 HG3 LYS 95 HG2 LYS 95 9.032 -9.173 -8.980 861 HD2 LYS 95 HD3 LYS 95 10.223 -6.819 -7.518 862 HD3 LYS 95 HD2 LYS 95 10.502 -7.212 -9.214 863 HE2 LYS 95 HE3 LYS 95 7.838 -6.540 -7.966 864 HE3 LYS 95 HE2 LYS 95 8.815 -5.458 -8.954 865 HZ1 LYS 95 HZ1 LYS 95 7.137 -6.384 -10.324 866 HZ2 LYS 95 HZ2 LYS 95 7.478 -7.960 -9.820 867 HZ3 LYS 95 HZ3 LYS 95 8.593 -7.116 -10.775 868 H ASP 96 H ASP 96 9.650 -9.488 -4.536 869 HA ASP 96 HA ASP 96 11.732 -11.565 -4.654 870 HB2 ASP 96 HB3 ASP 96 11.723 -8.885 -3.227 871 HB3 ASP 96 HB2 ASP 96 13.045 -10.041 -3.197 872 HA PRO 97 HA PRO 97 10.171 -13.385 -0.964 873 HB2 PRO 97 HB3 PRO 97 12.770 -13.305 0.409 874 HB3 PRO 97 HB2 PRO 97 11.847 -14.699 -0.162 875 HG2 PRO 97 HG3 PRO 97 14.117 -13.932 -1.365 876 HG3 PRO 97 HG2 PRO 97 12.754 -14.589 -2.287 877 HD2 PRO 97 HD3 PRO 97 13.576 -11.730 -1.912 878 HD3 PRO 97 HD2 PRO 97 13.068 -12.562 -3.394 879 H ASN 98 H ASN 98 10.827 -10.305 -0.974 880 HA ASN 98 HA ASN 98 9.658 -9.813 1.580 881 HB2 ASN 98 HB3 ASN 98 11.402 -8.340 2.466 882 HB3 ASN 98 HB2 ASN 98 12.009 -9.978 2.276 883 HD21 ASN 98 HD21 ASN 98 13.438 -7.458 2.456 884 HD22 ASN 98 HD22 ASN 98 14.393 -7.336 1.020 885 H THR 99 H THR 99 9.210 -9.422 -1.294 886 HA THR 99 HA THR 99 8.590 -6.564 -1.185 887 HB THR 99 HB THR 99 9.783 -7.899 -3.621 888 HG1 THR 99 HG1 THR 99 11.484 -6.285 -3.165 889 HG21 THR 99 HG21 THR 99 9.735 -5.673 -4.606 890 HG22 THR 99 HG22 THR 99 9.014 -5.021 -3.133 891 HG23 THR 99 HG23 THR 99 8.110 -6.162 -4.126 892 H LEU 100 H LEU 100 6.465 -6.540 -1.200 893 HA LEU 100 HA LEU 100 4.960 -8.363 -2.959 894 HB2 LEU 100 HB3 LEU 100 4.147 -8.568 -0.773 895 HB3 LEU 100 HB2 LEU 100 4.320 -6.862 -0.445 896 HG LEU 100 HG LEU 100 2.387 -6.415 -1.944 897 HD11 LEU 100 HD11 LEU 100 2.106 -9.411 -1.957 898 HD12 LEU 100 HD12 LEU 100 2.563 -8.409 -3.335 899 HD13 LEU 100 HD13 LEU 100 0.959 -8.247 -2.622 900 HD21 LEU 100 HD21 LEU 100 0.693 -7.222 -0.386 901 HD22 LEU 100 HD22 LEU 100 2.100 -6.589 0.468 902 HD23 LEU 100 HD23 LEU 100 1.866 -8.330 0.320 903 H THR 101 H THR 101 3.776 -7.528 -4.690 904 HA THR 101 HA THR 101 3.845 -4.600 -4.946 905 HB THR 101 HB THR 101 3.588 -5.099 -7.442 906 HG1 THR 101 HG1 THR 101 3.107 -7.286 -7.397 907 HG21 THR 101 HG21 THR 101 6.142 -5.923 -6.061 908 HG22 THR 101 HG22 THR 101 5.648 -4.266 -6.410 909 HG23 THR 101 HG23 THR 101 5.990 -5.381 -7.733 910 H GLU 102 H GLU 102 2.012 -3.535 -5.180 911 HA GLU 102 HA GLU 102 -0.457 -5.086 -5.638 912 HB2 GLU 102 HB3 GLU 102 -0.289 -4.045 -3.386 913 HB3 GLU 102 HB2 GLU 102 -0.169 -2.466 -4.147 914 HG2 GLU 102 HG3 GLU 102 -2.405 -2.818 -5.133 915 HG3 GLU 102 HG2 GLU 102 -2.516 -4.348 -4.265 916 H THR 103 H THR 103 -0.736 -4.892 -7.791 917 HA THR 103 HA THR 103 -0.099 -2.389 -9.129 918 HB THR 103 HB THR 103 -1.063 -5.000 -10.312 919 HG1 THR 103 HG1 THR 103 1.613 -4.186 -10.475 920 HG21 THR 103 HG21 THR 103 -0.105 -4.138 -12.390 921 HG22 THR 103 HG22 THR 103 0.361 -2.648 -11.569 922 HG23 THR 103 HG23 THR 103 -1.345 -3.045 -11.776 923 H HIS 104 H HIS 104 -1.611 -0.884 -9.365 924 HA HIS 104 HA HIS 104 -4.440 -1.682 -9.302 925 HB2 HIS 104 HB3 HIS 104 -3.401 1.147 -9.198 926 HB3 HIS 104 HB2 HIS 104 -4.964 0.540 -8.674 927 HD1 HIS 104 HD1 HIS 104 -2.285 1.999 -7.175 928 HD2 HIS 104 HD2 HIS 104 -4.155 -1.647 -6.496 929 HE1 HIS 104 HE1 HIS 104 -1.760 1.400 -4.792 930 HE2 HIS 104 HE2 HIS 104 -3.003 -0.753 -4.364 931 H ILE 105 H ILE 105 -4.723 -2.349 -11.458 932 HA ILE 105 HA ILE 105 -4.077 -0.424 -13.539 933 HB ILE 105 HB ILE 105 -5.210 -3.207 -13.730 934 HG12 ILE 105 HG13 ILE 105 -2.538 -1.959 -14.366 935 HG13 ILE 105 HG12 ILE 105 -2.881 -3.241 -13.211 936 HG21 ILE 105 HG21 ILE 105 -6.184 -1.836 -15.492 937 HG22 ILE 105 HG22 ILE 105 -5.004 -2.959 -16.170 938 HG23 ILE 105 HG23 ILE 105 -4.580 -1.261 -15.953 939 HD11 ILE 105 HD11 ILE 105 -3.109 -3.454 -16.194 940 HD12 ILE 105 HD12 ILE 105 -3.428 -4.746 -15.037 941 HD13 ILE 105 HD13 ILE 105 -1.798 -4.095 -15.206 942 H LYS 106 H LYS 106 -5.404 1.164 -13.808 943 HA LYS 106 HA LYS 106 -8.063 1.269 -13.032 944 HB2 LYS 106 HB3 LYS 106 -6.589 2.919 -15.076 945 HB3 LYS 106 HB2 LYS 106 -8.190 3.308 -14.458 946 HG2 LYS 106 HG3 LYS 106 -7.233 3.396 -12.174 947 HG3 LYS 106 HG2 LYS 106 -5.635 3.147 -12.874 948 HD2 LYS 106 HD3 LYS 106 -5.856 5.213 -14.145 949 HD3 LYS 106 HD2 LYS 106 -7.478 5.452 -13.494 950 HE2 LYS 106 HE3 LYS 106 -6.519 5.543 -11.221 951 HE3 LYS 106 HE2 LYS 106 -4.906 5.382 -11.916 952 HZ1 LYS 106 HZ1 LYS 106 -5.448 7.685 -11.430 953 HZ2 LYS 106 HZ2 LYS 106 -6.793 7.609 -12.447 954 HZ3 LYS 106 HZ3 LYS 106 -5.235 7.458 -13.097 955 H VAL 107 H VAL 107 -9.717 0.267 -13.743 956 HA VAL 107 HA VAL 107 -9.822 -1.199 -16.123 957 HB VAL 107 HB VAL 107 -12.221 -1.511 -15.706 958 HG11 VAL 107 HG11 VAL 107 -11.951 -2.674 -13.534 959 HG12 VAL 107 HG12 VAL 107 -10.374 -1.903 -13.360 960 HG13 VAL 107 HG13 VAL 107 -10.661 -3.030 -14.683 961 HG21 VAL 107 HG21 VAL 107 -12.703 0.659 -14.812 962 HG22 VAL 107 HG22 VAL 107 -11.672 0.340 -13.424 963 HG23 VAL 107 HG23 VAL 107 -13.161 -0.579 -13.644 964 H ASP 108 H ASP 108 -10.547 2.089 -15.430 965 HA ASP 108 HA ASP 108 -12.178 2.477 -17.778 966 HB2 ASP 108 HB3 ASP 108 -12.459 4.708 -17.078 967 HB3 ASP 108 HB2 ASP 108 -12.407 3.783 -15.587 968 H ASP 109 H ASP 109 -8.850 3.110 -16.783 969 HA ASP 109 HA ASP 109 -8.072 3.163 -19.563 970 HB2 ASP 109 HB3 ASP 109 -8.563 5.560 -18.989 971 HB3 ASP 109 HB2 ASP 109 -7.302 5.470 -17.759 972 HA PRO 110 HA PRO 110 -5.124 0.804 -17.118 973 HB2 PRO 110 HB3 PRO 110 -4.352 -0.786 -19.150 974 HB3 PRO 110 HB2 PRO 110 -5.870 -1.018 -18.282 975 HG2 PRO 110 HG3 PRO 110 -5.387 0.309 -20.918 976 HG3 PRO 110 HG2 PRO 110 -6.662 -0.829 -20.449 977 HD2 PRO 110 HD3 PRO 110 -7.057 1.839 -20.561 978 HD3 PRO 110 HD2 PRO 110 -7.918 0.781 -19.433 979 H THR 111 H THR 111 -4.584 3.283 -19.208 980 HA THR 111 HA THR 111 -1.688 2.758 -19.215 981 HB THR 111 HB THR 111 -1.450 4.424 -20.980 982 HG1 THR 111 HG1 THR 111 -4.059 5.007 -20.305 983 HG21 THR 111 HG21 THR 111 -1.800 2.129 -21.623 984 HG22 THR 111 HG22 THR 111 -2.635 3.186 -22.762 985 HG23 THR 111 HG23 THR 111 -3.546 2.336 -21.513 986 H ASP 112 H ASP 112 -3.706 3.940 -17.214 987 HA ASP 112 HA ASP 112 -1.884 6.101 -16.377 988 HB2 ASP 112 HB3 ASP 112 -4.143 6.925 -17.236 989 HB3 ASP 112 HB2 ASP 112 -4.863 6.116 -15.851 990 H VAL 113 H VAL 113 -1.963 3.268 -15.813 991 HA VAL 113 HA VAL 113 -3.207 2.762 -13.307 992 HB VAL 113 HB VAL 113 -2.103 0.628 -13.390 993 HG11 VAL 113 HG11 VAL 113 -2.922 -0.193 -15.507 994 HG12 VAL 113 HG12 VAL 113 -2.942 1.444 -16.158 995 HG13 VAL 113 HG13 VAL 113 -4.038 1.003 -14.851 996 HG21 VAL 113 HG21 VAL 113 0.116 1.340 -14.068 997 HG22 VAL 113 HG22 VAL 113 -0.492 1.754 -15.671 998 HG23 VAL 113 HG23 VAL 113 -0.477 0.071 -15.140 999 H GLU 114 H GLU 114 -1.695 1.662 -11.575 1000 HA GLU 114 HA GLU 114 0.919 2.793 -11.289 1001 HB2 GLU 114 HB3 GLU 114 -0.532 4.695 -10.580 1002 HB3 GLU 114 HB2 GLU 114 -1.197 3.671 -9.315 1003 HG2 GLU 114 HG3 GLU 114 0.561 5.238 -8.547 1004 HG3 GLU 114 HG2 GLU 114 0.915 3.545 -8.207 1005 H THR 115 H THR 115 2.050 1.926 -9.461 1006 HA THR 115 HA THR 115 0.736 -0.410 -8.262 1007 HB THR 115 HB THR 115 3.487 -0.404 -9.519 1008 HG1 THR 115 HG1 THR 115 2.442 -1.054 -11.228 1009 HG21 THR 115 HG21 THR 115 3.414 -1.822 -7.526 1010 HG22 THR 115 HG22 THR 115 3.513 -2.805 -8.988 1011 HG23 THR 115 HG23 THR 115 1.974 -2.632 -8.144 1012 H TYR 116 H TYR 116 1.049 -0.586 -6.175 1013 HA TYR 116 HA TYR 116 3.040 1.120 -4.839 1014 HB2 TYR 116 HB3 TYR 116 0.691 -0.483 -3.792 1015 HB3 TYR 116 HB2 TYR 116 1.859 0.302 -2.742 1016 HD1 TYR 116 HD1 TYR 116 1.386 2.335 -5.586 1017 HD2 TYR 116 HD2 TYR 116 -0.472 1.205 -1.929 1018 HE1 TYR 116 HE1 TYR 116 0.040 4.393 -5.637 1019 HE2 TYR 116 HE2 TYR 116 -1.818 3.258 -1.969 1020 HH TYR 116 HH TYR 116 -1.670 5.535 -2.977 1021 H GLU 117 H GLU 117 4.707 0.074 -3.421 1022 HA GLU 117 HA GLU 117 4.901 -2.791 -3.932 1023 HB2 GLU 117 HB3 GLU 117 6.326 -1.587 -5.545 1024 HB3 GLU 117 HB2 GLU 117 7.114 -0.748 -4.220 1025 HG2 GLU 117 HG3 GLU 117 8.044 -2.821 -3.408 1026 HG3 GLU 117 HG2 GLU 117 7.174 -3.724 -4.650 1027 H TYR 118 H TYR 118 5.104 -3.823 -2.069 1028 HA TYR 118 HA TYR 118 5.693 -2.301 0.357 1029 HB2 TYR 118 HB3 TYR 118 4.501 -5.072 0.022 1030 HB3 TYR 118 HB2 TYR 118 4.670 -4.200 1.541 1031 HD1 TYR 118 HD1 TYR 118 3.122 -2.431 2.138 1032 HD2 TYR 118 HD2 TYR 118 2.860 -4.335 -1.649 1033 HE1 TYR 118 HE1 TYR 118 0.919 -1.452 1.796 1034 HE2 TYR 118 HE2 TYR 118 0.653 -3.345 -1.996 1035 HH TYR 118 HH TYR 118 -0.580 -0.935 0.167 1036 H ARG 119 H ARG 119 7.778 -2.296 0.847 1037 HA ARG 119 HA ARG 119 9.219 -4.870 0.779 1038 HB2 ARG 119 HB3 ARG 119 10.072 -3.210 -0.867 1039 HB3 ARG 119 HB2 ARG 119 10.398 -2.101 0.459 1040 HG2 ARG 119 HG3 ARG 119 12.033 -3.606 1.380 1041 HG3 ARG 119 HG2 ARG 119 11.646 -4.823 0.163 1042 HD2 ARG 119 HD3 ARG 119 12.421 -3.327 -1.594 1043 HD3 ARG 119 HD2 ARG 119 12.775 -2.084 -0.396 1044 HE ARG 119 HE ARG 119 14.402 -3.744 0.550 1045 HH11 ARG 119 HH11 ARG 119 13.518 -3.769 -2.841 1046 HH12 ARG 119 HH12 ARG 119 14.984 -4.545 -3.341 1047 HH21 ARG 119 HH21 ARG 119 16.332 -4.738 -0.108 1048 HH22 ARG 119 HH22 ARG 119 16.589 -5.097 -1.786 1049 H ARG 120 H ARG 120 10.702 -5.245 2.533 1050 HA ARG 120 HA ARG 120 9.841 -3.870 4.971 1051 HB2 ARG 120 HB3 ARG 120 11.099 -6.542 4.442 1052 HB3 ARG 120 HB2 ARG 120 11.141 -5.832 6.050 1053 HG2 ARG 120 HG3 ARG 120 8.604 -6.278 4.502 1054 HG3 ARG 120 HG2 ARG 120 9.276 -7.445 5.642 1055 HD2 ARG 120 HD3 ARG 120 8.534 -4.599 6.318 1056 HD3 ARG 120 HD2 ARG 120 7.521 -6.007 6.637 1057 HE ARG 120 HE ARG 120 10.124 -6.302 7.766 1058 HH11 ARG 120 HH11 ARG 120 7.023 -4.758 8.267 1059 HH12 ARG 120 HH12 ARG 120 7.175 -4.717 9.993 1060 HH21 ARG 120 HH21 ARG 120 10.330 -6.250 10.045 1061 HH22 ARG 120 HH22 ARG 120 9.051 -5.567 11.002 1062 H ASP 121 H ASP 121 11.191 -2.766 6.272 1063 HA ASP 121 HA ASP 121 14.060 -2.782 5.626 1064 HB2 ASP 121 HB3 ASP 121 12.867 -0.711 4.766 1065 HB3 ASP 121 HB2 ASP 121 12.547 -0.300 6.448 1066 H GLY 122 H GLY 122 14.483 -4.152 7.329 1067 HA2 GLY 122 HA3 GLY 122 15.004 -4.691 9.500 1068 HA3 GLY 122 HA2 GLY 122 14.745 -3.000 9.911 1069 H ASP 123 H ASP 123 12.814 -2.354 10.765 1070 HA ASP 123 HA ASP 123 10.824 -4.478 11.224 1071 HB2 ASP 123 HB3 ASP 123 10.286 -3.498 13.354 1072 HB3 ASP 123 HB2 ASP 123 12.024 -3.750 13.288 1073 H TYR 124 H TYR 124 11.393 -1.768 9.508 1074 HA TYR 124 HA TYR 124 8.710 -0.633 9.794 1075 HB2 TYR 124 HB3 TYR 124 11.245 0.328 8.493 1076 HB3 TYR 124 HB2 TYR 124 9.694 1.059 8.095 1077 HD1 TYR 124 HD1 TYR 124 11.779 0.178 11.062 1078 HD2 TYR 124 HD2 TYR 124 8.976 2.869 9.342 1079 HE1 TYR 124 HE1 TYR 124 11.987 1.641 13.028 1080 HE2 TYR 124 HE2 TYR 124 9.174 4.337 11.296 1081 HH TYR 124 HH TYR 124 9.838 4.234 13.623 1082 H LEU 125 H LEU 125 7.206 -0.640 8.172 1083 HA LEU 125 HA LEU 125 7.751 -2.299 5.847 1084 HB2 LEU 125 HB3 LEU 125 5.687 -2.637 7.188 1085 HB3 LEU 125 HB2 LEU 125 5.206 -0.991 6.854 1086 HG LEU 125 HG LEU 125 4.137 -2.987 5.550 1087 HD11 LEU 125 HD11 LEU 125 5.055 -0.562 4.020 1088 HD12 LEU 125 HD12 LEU 125 3.720 -0.569 5.171 1089 HD13 LEU 125 HD13 LEU 125 3.625 -1.548 3.710 1090 HD21 LEU 125 HD21 LEU 125 5.240 -3.492 3.444 1091 HD22 LEU 125 HD22 LEU 125 6.244 -3.975 4.811 1092 HD23 LEU 125 HD23 LEU 125 6.622 -2.504 3.916 1093 H VAL 126 H VAL 126 8.347 -1.350 3.971 1094 HA VAL 126 HA VAL 126 7.986 1.565 3.795 1095 HB VAL 126 HB VAL 126 10.366 -0.008 2.784 1096 HG11 VAL 126 HG11 VAL 126 11.322 2.180 2.240 1097 HG12 VAL 126 HG12 VAL 126 9.830 2.966 2.759 1098 HG13 VAL 126 HG13 VAL 126 9.824 1.899 1.354 1099 HG21 VAL 126 HG21 VAL 126 10.383 0.195 5.212 1100 HG22 VAL 126 HG22 VAL 126 10.138 1.936 5.081 1101 HG23 VAL 126 HG23 VAL 126 11.635 1.211 4.496 1102 H MET 127 H MET 127 7.055 2.284 2.029 1103 HA MET 127 HA MET 127 6.441 0.306 -0.048 1104 HB2 MET 127 HB3 MET 127 4.417 1.098 0.792 1105 HB3 MET 127 HB2 MET 127 5.004 2.745 0.917 1106 HG2 MET 127 HG3 MET 127 4.863 3.078 -1.414 1107 HG3 MET 127 HG2 MET 127 4.612 1.359 -1.712 1108 HE1 MET 127 HE1 MET 127 2.372 0.702 0.673 1109 HE2 MET 127 HE2 MET 127 2.669 0.047 -0.936 1110 HE3 MET 127 HE3 MET 127 1.074 0.679 -0.523 1111 H LYS 128 H LYS 128 6.945 0.628 -2.124 1112 HA LYS 128 HA LYS 128 8.412 3.082 -2.770 1113 HB2 LYS 128 HB3 LYS 128 8.686 0.255 -3.699 1114 HB3 LYS 128 HB2 LYS 128 9.092 1.549 -4.817 1115 HG2 LYS 128 HG3 LYS 128 10.296 1.185 -2.081 1116 HG3 LYS 128 HG2 LYS 128 11.041 0.686 -3.603 1117 HD2 LYS 128 HD3 LYS 128 10.922 3.055 -4.362 1118 HD3 LYS 128 HD2 LYS 128 10.346 3.496 -2.756 1119 HE2 LYS 128 HE3 LYS 128 12.741 3.893 -2.995 1120 HE3 LYS 128 HE2 LYS 128 12.407 2.673 -1.767 1121 HZ1 LYS 128 HZ1 LYS 128 12.992 0.956 -3.341 1122 HZ2 LYS 128 HZ2 LYS 128 14.263 2.060 -3.208 1123 HZ3 LYS 128 HZ3 LYS 128 13.249 2.102 -4.559 1124 H MET 129 H MET 129 7.551 4.416 -4.149 1125 HA MET 129 HA MET 129 5.545 3.456 -6.075 1126 HB2 MET 129 HB3 MET 129 5.433 6.067 -4.534 1127 HB3 MET 129 HB2 MET 129 4.278 5.540 -5.749 1128 HG2 MET 129 HG3 MET 129 3.401 3.877 -4.365 1129 HG3 MET 129 HG2 MET 129 4.782 3.932 -3.275 1130 HE1 MET 129 HE1 MET 129 2.664 6.927 -4.776 1131 HE2 MET 129 HE2 MET 129 1.477 7.145 -3.488 1132 HE3 MET 129 HE3 MET 129 1.484 5.660 -4.439 1133 H SER 130 H SER 130 6.038 4.100 -8.141 1134 HA SER 130 HA SER 130 8.046 6.198 -8.465 1135 HB2 SER 130 HB3 SER 130 9.248 4.594 -10.073 1136 HB3 SER 130 HB2 SER 130 9.455 4.331 -8.342 1137 HG SER 130 HG SER 130 7.280 3.010 -9.253 1138 H TRP 131 H TRP 131 7.676 7.466 -10.111 1139 HA TRP 131 HA TRP 131 6.304 6.471 -12.492 1140 HB2 TRP 131 HB3 TRP 131 4.671 7.526 -10.750 1141 HB3 TRP 131 HB2 TRP 131 5.388 9.054 -11.264 1142 HD1 TRP 131 HD1 TRP 131 4.325 10.156 -13.330 1143 HE1 TRP 131 HE1 TRP 131 2.646 9.411 -15.136 1144 HE3 TRP 131 HE3 TRP 131 3.949 5.214 -12.107 1145 HZ2 TRP 131 HZ2 TRP 131 1.366 7.047 -15.953 1146 HZ3 TRP 131 HZ3 TRP 131 2.482 3.774 -13.452 1147 HH2 TRP 131 HH2 TRP 131 1.212 4.670 -15.338 1148 H LYS 132 H LYS 132 7.146 7.284 -14.285 1149 HA LYS 132 HA LYS 132 8.634 8.303 -15.628 1150 HB2 LYS 132 HB3 LYS 132 7.576 10.649 -14.061 1151 HB3 LYS 132 HB2 LYS 132 8.634 10.833 -15.455 1152 HG2 LYS 132 HG3 LYS 132 6.993 9.686 -16.854 1153 HG3 LYS 132 HG2 LYS 132 5.937 9.493 -15.456 1154 HD2 LYS 132 HD3 LYS 132 5.630 11.859 -15.276 1155 HD3 LYS 132 HD2 LYS 132 6.868 12.164 -16.497 1156 HE2 LYS 132 HE3 LYS 132 4.597 12.410 -17.405 1157 HE3 LYS 132 HE2 LYS 132 5.486 11.111 -18.196 1158 HZ1 LYS 132 HZ1 LYS 132 3.244 10.422 -17.721 1159 HZ2 LYS 132 HZ2 LYS 132 3.432 10.790 -16.082 1160 HZ3 LYS 132 HZ3 LYS 132 4.318 9.523 -16.771 1161 H GLY 133 H GLY 133 9.899 7.050 -13.575 1162 HA2 GLY 133 HA3 GLY 133 12.114 6.864 -12.942 1163 HA3 GLY 133 HA2 GLY 133 12.396 8.479 -13.563 1164 H VAL 134 H VAL 134 9.842 8.939 -11.629 1165 HA VAL 134 HA VAL 134 11.564 9.809 -9.437 1166 HB VAL 134 HB VAL 134 8.607 10.317 -9.609 1167 HG11 VAL 134 HG11 VAL 134 9.738 10.789 -7.503 1168 HG12 VAL 134 HG12 VAL 134 9.166 12.274 -8.269 1169 HG13 VAL 134 HG13 VAL 134 10.875 11.842 -8.343 1170 HG21 VAL 134 HG21 VAL 134 9.180 12.499 -10.690 1171 HG22 VAL 134 HG22 VAL 134 9.393 11.085 -11.721 1172 HG23 VAL 134 HG23 VAL 134 10.799 11.861 -10.986 1173 H SER 135 H SER 135 11.938 8.179 -8.030 1174 HA SER 135 HA SER 135 9.714 6.523 -7.163 1175 HB2 SER 135 HB3 SER 135 12.445 6.177 -6.083 1176 HB3 SER 135 HB2 SER 135 11.269 4.977 -6.560 1177 HG SER 135 HG SER 135 13.303 6.023 -7.995 1178 H THR 136 H THR 136 8.815 6.766 -5.256 1179 HA THR 136 HA THR 136 10.111 8.508 -3.272 1180 HB THR 136 HB THR 136 8.169 9.675 -4.134 1181 HG1 THR 136 HG1 THR 136 8.543 9.781 -1.856 1182 HG21 THR 136 HG21 THR 136 6.531 7.274 -3.323 1183 HG22 THR 136 HG22 THR 136 6.940 7.712 -4.982 1184 HG23 THR 136 HG23 THR 136 5.923 8.780 -4.015 1185 H SER 137 H SER 137 10.157 7.797 -1.182 1186 HA SER 137 HA SER 137 9.275 5.024 -0.782 1187 HB2 SER 137 HB3 SER 137 11.333 6.559 0.819 1188 HB3 SER 137 HB2 SER 137 10.990 4.835 0.908 1189 HG SER 137 HG SER 137 11.806 6.045 -1.512 1190 H ARG 138 H ARG 138 7.510 4.787 0.353 1191 HA ARG 138 HA ARG 138 6.654 6.878 2.227 1192 HB2 ARG 138 HB3 ARG 138 5.210 5.768 0.337 1193 HB3 ARG 138 HB2 ARG 138 5.063 4.449 1.479 1194 HG2 ARG 138 HG3 ARG 138 3.147 5.720 1.794 1195 HG3 ARG 138 HG2 ARG 138 4.206 6.171 3.130 1196 HD2 ARG 138 HD3 ARG 138 4.653 8.260 2.243 1197 HD3 ARG 138 HD2 ARG 138 4.243 7.761 0.599 1198 HE ARG 138 HE ARG 138 1.864 7.551 1.672 1199 HH11 ARG 138 HH11 ARG 138 4.234 10.083 2.246 1200 HH12 ARG 138 HH12 ARG 138 3.041 11.288 2.602 1201 HH21 ARG 138 HH21 ARG 138 0.317 9.125 2.130 1202 HH22 ARG 138 HH22 ARG 138 0.805 10.738 2.550 1203 H TYR 139 H TYR 139 7.386 6.562 4.278 1204 HA TYR 139 HA TYR 139 8.220 3.874 5.044 1205 HB2 TYR 139 HB3 TYR 139 8.686 6.531 6.414 1206 HB3 TYR 139 HB2 TYR 139 9.373 4.989 6.915 1207 HD1 TYR 139 HD1 TYR 139 9.624 7.770 4.603 1208 HD2 TYR 139 HD2 TYR 139 11.058 3.868 5.490 1209 HE1 TYR 139 HE1 TYR 139 11.542 8.145 3.111 1210 HE2 TYR 139 HE2 TYR 139 12.981 4.232 4.003 1211 HH TYR 139 HH TYR 139 13.757 7.332 2.724 1212 H TYR 140 H TYR 140 6.798 2.626 6.015 1213 HA TYR 140 HA TYR 140 4.908 3.836 7.912 1214 HB2 TYR 140 HB3 TYR 140 4.801 1.144 6.539 1215 HB3 TYR 140 HB2 TYR 140 3.607 1.754 7.677 1216 HD1 TYR 140 HD1 TYR 140 2.178 3.688 7.039 1217 HD2 TYR 140 HD2 TYR 140 4.776 1.784 4.263 1218 HE1 TYR 140 HE1 TYR 140 0.923 4.696 5.183 1219 HE2 TYR 140 HE2 TYR 140 3.532 2.791 2.401 1220 HH TYR 140 HH TYR 140 1.367 5.310 2.753 1221 H LYS 141 H LYS 141 4.692 3.030 9.934 1222 HA LYS 141 HA LYS 141 6.522 0.906 10.821 1223 HB2 LYS 141 HB3 LYS 141 6.879 2.012 12.873 1224 HB3 LYS 141 HB2 LYS 141 7.222 3.167 11.592 1225 HG2 LYS 141 HG3 LYS 141 5.266 4.354 11.967 1226 HG3 LYS 141 HG2 LYS 141 4.537 3.033 12.889 1227 HD2 LYS 141 HD3 LYS 141 5.286 4.832 14.333 1228 HD3 LYS 141 HD2 LYS 141 6.172 3.336 14.636 1229 HE2 LYS 141 HE3 LYS 141 7.985 4.110 13.195 1230 HE3 LYS 141 HE2 LYS 141 7.132 5.631 12.947 1231 HZ1 LYS 141 HZ1 LYS 141 8.301 4.628 15.478 1232 HZ2 LYS 141 HZ2 LYS 141 7.261 5.957 15.404 1233 HZ3 LYS 141 HZ3 LYS 141 8.754 6.007 14.601 1234 H LYS 142 H LYS 142 5.537 -0.259 12.776 1235 HA LYS 142 HA LYS 142 2.843 -0.825 12.546 1236 HB2 LYS 142 HB3 LYS 142 4.531 -0.902 15.048 1237 HB3 LYS 142 HB2 LYS 142 2.919 -1.592 14.920 1238 HG2 LYS 142 HG3 LYS 142 3.735 -3.069 13.112 1239 HG3 LYS 142 HG2 LYS 142 5.359 -2.428 13.366 1240 HD2 LYS 142 HD3 LYS 142 5.163 -4.515 14.542 1241 HD3 LYS 142 HD2 LYS 142 5.239 -3.209 15.725 1242 HE2 LYS 142 HE3 LYS 142 3.552 -4.780 16.408 1243 HE3 LYS 142 HE2 LYS 142 2.765 -3.291 15.899 1244 HZ1 LYS 142 HZ1 LYS 142 3.000 -5.786 14.310 1245 HZ2 LYS 142 HZ2 LYS 142 2.312 -4.351 13.751 1246 HZ3 LYS 142 HZ3 LYS 142 1.593 -5.185 15.032 1247 H GLN 143 H GLN 143 0.956 -0.187 13.870 1248 HA GLN 143 HA GLN 143 0.748 2.466 14.701 1249 HB2 GLN 143 HB3 GLN 143 -0.736 0.013 15.673 1250 HB3 GLN 143 HB2 GLN 143 -1.181 1.652 16.118 1251 HG2 GLN 143 HG3 GLN 143 -0.992 0.835 13.252 1252 HG3 GLN 143 HG2 GLN 143 -2.431 0.491 14.202 1253 HE21 GLN 143 HE21 GLN 143 -0.568 2.890 12.615 1254 HE22 GLN 143 HE22 GLN 143 -1.677 4.201 12.828 1255 H21 OLA1001 H21 OLA1001 -0.271 6.750 -1.642 1256 H22 OLA1001 H22 OLA1001 0.567 7.975 -0.690 1257 H31 OLA1001 H31 OLA1001 -2.412 7.554 -0.589 1258 H32 OLA1001 H32 OLA1001 -1.625 8.683 -1.691 1259 H41 OLA1001 H41 OLA1001 -0.698 9.918 0.170 1260 H42 OLA1001 H42 OLA1001 -1.367 8.751 1.311 1261 H51 OLA1001 H51 OLA1001 -3.084 10.337 -0.582 1262 H52 OLA1001 H52 OLA1001 -2.656 10.917 1.026 1263 H61 OLA1001 H61 OLA1001 -3.685 8.954 2.026 1264 H62 OLA1001 H62 OLA1001 -4.082 8.331 0.426 1265 H71 OLA1001 H71 OLA1001 -5.073 10.986 1.434 1266 H72 OLA1001 H72 OLA1001 -5.958 9.482 1.674 1267 H81 OLA1001 H81 OLA1001 -6.942 10.140 -0.246 1268 H82 OLA1001 H82 OLA1001 -5.579 9.273 -0.925 1269 H9 OLA1001 H9 OLA1001 -4.748 11.976 -0.676 1270 H10 OLA1001 H10 OLA1001 -5.635 12.527 -2.826 1271 H111 OLA1001 H111 OLA1001 -7.950 11.085 -2.678 1272 H112 OLA1001 H112 OLA1001 -6.805 9.769 -2.835 1273 H121 OLA1001 H121 OLA1001 -7.342 11.982 -4.796 1274 H122 OLA1001 H122 OLA1001 -7.660 10.263 -4.996 1275 H131 OLA1001 H131 OLA1001 -4.897 11.416 -4.665 1276 H132 OLA1001 H132 OLA1001 -5.652 11.134 -6.227 1277 H141 OLA1001 H141 OLA1001 -4.417 9.213 -5.988 1278 H142 OLA1001 H142 OLA1001 -5.970 8.702 -5.336 1279 H151 OLA1001 H151 OLA1001 -4.210 7.911 -3.900 1280 H152 OLA1001 H152 OLA1001 -5.130 9.152 -3.057 1281 H161 OLA1001 H161 OLA1001 -2.923 9.694 -2.572 1282 H162 OLA1001 H162 OLA1001 -3.340 10.779 -3.892 1283 H171 OLA1001 H171 OLA1001 -2.183 9.443 -5.480 1284 H172 OLA1001 H172 OLA1001 -1.952 8.149 -4.307 1285 H181 OLA1001 H181 OLA1001 0.029 9.024 -3.847 1286 H182 OLA1001 H182 OLA1001 -0.815 10.405 -3.141 1287 H183 OLA1001 H183 OLA1001 -0.313 10.449 -4.839 Start of MODEL 5 1 H1 MET -11 H1 MET -11 4.045 -18.911 -20.171 2 H2 MET -11 H2 MET -11 4.703 -17.373 -20.414 3 H3 MET -11 H3 MET -11 5.037 -18.619 -21.509 4 HA MET -11 HA MET -11 3.413 -17.077 -22.406 5 HB2 MET -11 HB3 MET -11 2.302 -19.806 -21.705 6 HB3 MET -11 HB2 MET -11 1.648 -18.743 -22.940 7 HG2 MET -11 HG3 MET -11 2.949 -20.394 -24.027 8 HG3 MET -11 HG2 MET -11 3.838 -18.878 -24.113 9 HE1 MET -11 HE1 MET -11 6.004 -20.281 -24.824 10 HE2 MET -11 HE2 MET -11 5.078 -21.775 -24.685 11 HE3 MET -11 HE3 MET -11 6.639 -21.627 -23.879 12 H ARG -10 H ARG -10 2.164 -15.471 -21.689 13 HA ARG -10 HA ARG -10 0.789 -15.584 -19.188 14 HB2 ARG -10 HB3 ARG -10 1.599 -13.444 -20.079 15 HB3 ARG -10 HB2 ARG -10 0.515 -13.598 -21.456 16 HG2 ARG -10 HG3 ARG -10 -1.402 -13.583 -19.873 17 HG3 ARG -10 HG2 ARG -10 -0.262 -13.256 -18.568 18 HD2 ARG -10 HD3 ARG -10 0.382 -11.174 -19.599 19 HD3 ARG -10 HD2 ARG -10 -0.627 -11.516 -21.004 20 HE ARG -10 HE ARG -10 -1.957 -11.394 -18.411 21 HH11 ARG -10 HH11 ARG -10 -1.158 -9.746 -21.395 22 HH12 ARG -10 HH12 ARG -10 -2.470 -8.621 -21.271 23 HH21 ARG -10 HH21 ARG -10 -3.674 -9.907 -18.238 24 HH22 ARG -10 HH22 ARG -10 -3.901 -8.710 -19.473 25 H GLY -9 H GLY -9 -0.096 -16.018 -22.555 26 HA2 GLY -9 HA3 GLY -9 -2.910 -16.214 -22.061 27 HA3 GLY -9 HA2 GLY -9 -2.072 -16.677 -23.537 28 H SER -8 H SER -8 -4.118 -17.940 -21.590 29 HA SER -8 HA SER -8 -4.703 -20.018 -20.915 30 HB2 SER -8 HB3 SER -8 -2.327 -20.899 -22.571 31 HB3 SER -8 HB2 SER -8 -3.605 -21.953 -21.969 32 HG SER -8 HG SER -8 -4.214 -19.701 -23.552 33 H HIS -7 H HIS -7 -3.400 -22.209 -20.017 34 HA HIS -7 HA HIS -7 -2.258 -23.084 -18.263 35 HB2 HIS -7 HB3 HIS -7 -0.423 -20.743 -18.789 36 HB3 HIS -7 HB2 HIS -7 -0.081 -21.993 -17.600 37 HD1 HIS -7 HD1 HIS -7 0.645 -24.302 -18.483 38 HD2 HIS -7 HD2 HIS -7 -0.086 -21.499 -21.461 39 HE1 HIS -7 HE1 HIS -7 1.607 -25.285 -20.581 40 HE2 HIS -7 HE2 HIS -7 1.013 -23.644 -22.399 41 H HIS -6 H HIS -6 -4.474 -21.449 -17.681 42 HA HIS -6 HA HIS -6 -3.755 -19.725 -15.485 43 HB2 HIS -6 HB3 HIS -6 -5.719 -19.219 -16.901 44 HB3 HIS -6 HB2 HIS -6 -6.492 -20.697 -16.335 45 HD1 HIS -6 HD1 HIS -6 -8.262 -20.096 -14.715 46 HD2 HIS -6 HD2 HIS -6 -4.890 -17.700 -14.289 47 HE1 HIS -6 HE1 HIS -6 -8.735 -18.600 -12.751 48 HE2 HIS -6 HE2 HIS -6 -6.626 -17.261 -12.427 49 H HIS -5 H HIS -5 -4.474 -23.044 -15.922 50 HA HIS -5 HA HIS -5 -5.035 -23.458 -13.088 51 HB2 HIS -5 HB3 HIS -5 -4.945 -25.386 -15.401 52 HB3 HIS -5 HB2 HIS -5 -5.259 -25.847 -13.732 53 HD1 HIS -5 HD1 HIS -5 -6.980 -24.964 -16.745 54 HD2 HIS -5 HD2 HIS -5 -7.645 -24.385 -12.684 55 HE1 HIS -5 HE1 HIS -5 -9.425 -24.417 -16.527 56 HE2 HIS -5 HE2 HIS -5 -9.772 -23.939 -14.076 57 H HIS -4 H HIS -4 -2.488 -22.424 -13.937 58 HA HIS -4 HA HIS -4 -0.571 -24.560 -13.628 59 HB2 HIS -4 HB3 HIS -4 -0.151 -22.544 -15.056 60 HB3 HIS -4 HB2 HIS -4 -0.137 -21.562 -13.597 61 HD1 HIS -4 HD1 HIS -4 1.943 -21.730 -12.072 62 HD2 HIS -4 HD2 HIS -4 2.145 -24.071 -15.496 63 HE1 HIS -4 HE1 HIS -4 4.343 -22.440 -12.264 64 HE2 HIS -4 HE2 HIS -4 4.392 -24.025 -14.218 65 H HIS -3 H HIS -3 -1.507 -25.287 -11.584 66 HA HIS -3 HA HIS -3 -1.682 -25.451 -9.333 67 HB2 HIS -3 HB3 HIS -3 0.783 -23.720 -9.501 68 HB3 HIS -3 HB2 HIS -3 0.138 -24.297 -7.971 69 HD1 HIS -3 HD1 HIS -3 2.627 -25.128 -10.316 70 HD2 HIS -3 HD2 HIS -3 -0.163 -27.336 -8.174 71 HE1 HIS -3 HE1 HIS -3 3.494 -27.484 -10.303 72 HE2 HIS -3 HE2 HIS -3 1.708 -28.829 -9.149 73 H HIS -2 H HIS -2 -3.686 -24.444 -9.279 74 HA HIS -2 HA HIS -2 -3.917 -21.586 -9.060 75 HB2 HIS -2 HB3 HIS -2 -5.610 -23.196 -10.117 76 HB3 HIS -2 HB2 HIS -2 -6.088 -23.598 -8.472 77 HD1 HIS -2 HD1 HIS -2 -8.230 -22.448 -8.013 78 HD2 HIS -2 HD2 HIS -2 -5.621 -20.046 -10.182 79 HE1 HIS -2 HE1 HIS -2 -9.421 -20.258 -8.314 80 HE2 HIS -2 HE2 HIS -2 -7.766 -18.772 -9.493 81 H GLY -1 H GLY -1 -2.246 -22.053 -7.178 82 HA2 GLY -1 HA3 GLY -1 -3.794 -21.757 -4.691 83 HA3 GLY -1 HA2 GLY -1 -2.353 -22.766 -4.734 84 H SER 0 H SER 0 -2.846 -20.366 -3.145 85 HA SER 0 HA SER 0 -1.292 -18.276 -4.426 86 HB2 SER 0 HB3 SER 0 -2.377 -18.243 -1.614 87 HB3 SER 0 HB2 SER 0 -2.005 -16.871 -2.659 88 HG SER 0 HG SER 0 -4.323 -17.937 -2.336 89 H LYS 1 H LYS 1 0.691 -17.577 -3.779 90 HA LYS 1 HA LYS 1 2.271 -19.154 -1.977 91 HB2 LYS 1 HB3 LYS 1 2.803 -16.373 -3.053 92 HB3 LYS 1 HB2 LYS 1 3.985 -17.444 -2.318 93 HG2 LYS 1 HG3 LYS 1 3.692 -19.022 -4.176 94 HG3 LYS 1 HG2 LYS 1 2.536 -17.917 -4.917 95 HD2 LYS 1 HD3 LYS 1 4.464 -17.365 -6.046 96 HD3 LYS 1 HD2 LYS 1 4.500 -16.200 -4.726 97 HE2 LYS 1 HE3 LYS 1 5.991 -18.822 -4.812 98 HE3 LYS 1 HE2 LYS 1 6.692 -17.234 -5.097 99 HZ1 LYS 1 HZ1 LYS 1 5.495 -18.187 -2.554 100 HZ2 LYS 1 HZ2 LYS 1 6.106 -16.634 -2.816 101 HZ3 LYS 1 HZ3 LYS 1 7.139 -17.968 -2.865 102 H THR 2 H THR 2 2.642 -18.725 0.196 103 HA THR 2 HA THR 2 0.526 -17.216 1.421 104 HB THR 2 HB THR 2 2.799 -18.462 2.931 105 HG1 THR 2 HG1 THR 2 0.498 -19.783 1.856 106 HG21 THR 2 HG21 THR 2 -0.150 -18.147 3.497 107 HG22 THR 2 HG22 THR 2 1.140 -17.160 4.179 108 HG23 THR 2 HG23 THR 2 1.034 -18.873 4.584 109 H LEU 3 H LEU 3 0.615 -15.272 2.296 110 HA LEU 3 HA LEU 3 2.749 -13.503 1.788 111 HB2 LEU 3 HB3 LEU 3 0.105 -13.321 2.791 112 HB3 LEU 3 HB2 LEU 3 1.155 -12.545 3.956 113 HG LEU 3 HG LEU 3 0.571 -11.758 1.125 114 HD11 LEU 3 HD11 LEU 3 0.265 -9.582 2.168 115 HD12 LEU 3 HD12 LEU 3 0.751 -10.257 3.721 116 HD13 LEU 3 HD13 LEU 3 -0.736 -10.810 2.945 117 HD21 LEU 3 HD21 LEU 3 2.961 -11.747 1.113 118 HD22 LEU 3 HD22 LEU 3 3.014 -10.992 2.707 119 HD23 LEU 3 HD23 LEU 3 2.412 -10.082 1.318 120 HA PRO 4 HA PRO 4 5.409 -14.576 5.277 121 HB2 PRO 4 HB3 PRO 4 6.585 -11.971 4.456 122 HB3 PRO 4 HB2 PRO 4 7.381 -13.525 4.724 123 HG2 PRO 4 HG3 PRO 4 7.002 -12.585 2.256 124 HG3 PRO 4 HG2 PRO 4 6.842 -14.314 2.615 125 HD2 PRO 4 HD3 PRO 4 4.709 -12.264 2.168 126 HD3 PRO 4 HD2 PRO 4 4.762 -13.971 1.678 127 H ASP 5 H ASP 5 4.875 -14.105 7.307 128 HA ASP 5 HA ASP 5 2.938 -12.228 7.983 129 HB2 ASP 5 HB3 ASP 5 3.288 -12.841 10.257 130 HB3 ASP 5 HB2 ASP 5 3.600 -14.287 9.302 131 H LYS 6 H LYS 6 6.333 -11.823 7.619 132 HA LYS 6 HA LYS 6 6.744 -9.605 9.273 133 HB2 LYS 6 HB3 LYS 6 8.425 -11.114 8.017 134 HB3 LYS 6 HB2 LYS 6 8.177 -10.016 6.667 135 HG2 LYS 6 HG3 LYS 6 9.023 -8.171 7.924 136 HG3 LYS 6 HG2 LYS 6 9.073 -9.137 9.402 137 HD2 LYS 6 HD3 LYS 6 10.701 -10.651 8.247 138 HD3 LYS 6 HD2 LYS 6 10.750 -9.490 6.920 139 HE2 LYS 6 HE3 LYS 6 11.589 -7.776 8.398 140 HE3 LYS 6 HE2 LYS 6 11.421 -8.847 9.789 141 HZ1 LYS 6 HZ1 LYS 6 13.239 -9.280 7.483 142 HZ2 LYS 6 HZ2 LYS 6 13.081 -10.311 8.810 143 HZ3 LYS 6 HZ3 LYS 6 13.703 -8.755 9.020 144 H PHE 7 H PHE 7 4.949 -9.856 6.336 145 HA PHE 7 HA PHE 7 5.120 -6.966 5.883 146 HB2 PHE 7 HB3 PHE 7 3.726 -9.136 4.295 147 HB3 PHE 7 HB2 PHE 7 3.747 -7.430 3.864 148 HD1 PHE 7 HD1 PHE 7 6.432 -6.569 4.168 149 HD2 PHE 7 HD2 PHE 7 5.000 -10.346 2.838 150 HE1 PHE 7 HE1 PHE 7 8.518 -6.914 2.917 151 HE2 PHE 7 HE2 PHE 7 7.084 -10.698 1.582 152 HZ PHE 7 HZ PHE 7 8.846 -8.977 1.623 153 H LEU 8 H LEU 8 3.473 -8.931 7.880 154 HA LEU 8 HA LEU 8 0.844 -7.736 7.409 155 HB2 LEU 8 HB3 LEU 8 1.635 -10.079 9.136 156 HB3 LEU 8 HB2 LEU 8 -0.004 -9.508 8.882 157 HG LEU 8 HG LEU 8 1.792 -10.602 6.715 158 HD11 LEU 8 HD11 LEU 8 0.475 -12.583 6.774 159 HD12 LEU 8 HD12 LEU 8 -0.603 -11.899 7.990 160 HD13 LEU 8 HD13 LEU 8 1.068 -12.278 8.407 161 HD21 LEU 8 HD21 LEU 8 -0.350 -10.673 5.437 162 HD22 LEU 8 HD22 LEU 8 0.245 -9.051 5.786 163 HD23 LEU 8 HD23 LEU 8 -1.086 -9.722 6.728 164 H GLY 9 H GLY 9 -0.335 -6.829 9.092 165 HA2 GLY 9 HA3 GLY 9 -0.218 -6.351 11.609 166 HA3 GLY 9 HA2 GLY 9 1.359 -5.681 11.216 167 H THR 10 H THR 10 -0.088 -3.938 12.407 168 HA THR 10 HA THR 10 -1.312 -2.261 10.328 169 HB THR 10 HB THR 10 -1.612 -2.084 13.335 170 HG1 THR 10 HG1 THR 10 -2.666 -3.829 11.764 171 HG21 THR 10 HG21 THR 10 -1.890 0.074 12.266 172 HG22 THR 10 HG22 THR 10 -3.457 -0.533 12.801 173 HG23 THR 10 HG23 THR 10 -3.010 -0.620 11.098 174 H PHE 11 H PHE 11 -0.250 -0.468 9.737 175 HA PHE 11 HA PHE 11 1.964 0.475 11.449 176 HB2 PHE 11 HB3 PHE 11 1.980 0.398 8.423 177 HB3 PHE 11 HB2 PHE 11 3.320 0.830 9.480 178 HD1 PHE 11 HD1 PHE 11 4.487 -0.902 10.773 179 HD2 PHE 11 HD2 PHE 11 1.440 -1.881 7.966 180 HE1 PHE 11 HE1 PHE 11 5.250 -3.240 10.766 181 HE2 PHE 11 HE2 PHE 11 2.202 -4.219 7.954 182 HZ PHE 11 HZ PHE 11 4.092 -4.907 9.348 183 H LYS 12 H LYS 12 2.007 2.648 11.853 184 HA LYS 12 HA LYS 12 0.140 4.342 10.340 185 HB2 LYS 12 HB3 LYS 12 0.614 6.053 11.995 186 HB3 LYS 12 HB2 LYS 12 0.157 4.554 12.788 187 HG2 LYS 12 HG3 LYS 12 2.392 4.095 13.415 188 HG3 LYS 12 HG2 LYS 12 3.014 5.385 12.379 189 HD2 LYS 12 HD3 LYS 12 1.243 5.774 14.783 190 HD3 LYS 12 HD2 LYS 12 2.990 6.018 14.757 191 HE2 LYS 12 HE3 LYS 12 2.677 7.745 13.010 192 HE3 LYS 12 HE2 LYS 12 0.932 7.536 13.156 193 HZ1 LYS 12 HZ1 LYS 12 2.761 8.441 15.308 194 HZ2 LYS 12 HZ2 LYS 12 1.094 8.212 15.476 195 HZ3 LYS 12 HZ3 LYS 12 1.682 9.415 14.445 196 H LEU 13 H LEU 13 0.798 5.854 8.876 197 HA LEU 13 HA LEU 13 3.308 5.902 7.726 198 HB2 LEU 13 HB3 LEU 13 1.088 6.957 6.948 199 HB3 LEU 13 HB2 LEU 13 1.564 8.350 7.897 200 HG LEU 13 HG LEU 13 3.268 7.235 5.668 201 HD11 LEU 13 HD11 LEU 13 1.174 9.394 5.590 202 HD12 LEU 13 HD12 LEU 13 1.179 7.876 4.691 203 HD13 LEU 13 HD13 LEU 13 2.377 9.119 4.331 204 HD21 LEU 13 HD21 LEU 13 4.422 8.657 7.295 205 HD22 LEU 13 HD22 LEU 13 3.231 9.929 7.018 206 HD23 LEU 13 HD23 LEU 13 4.306 9.428 5.714 207 H GLU 14 H GLU 14 5.242 6.517 8.468 208 HA GLU 14 HA GLU 14 5.385 8.269 10.791 209 HB2 GLU 14 HB3 GLU 14 6.631 6.110 10.725 210 HB3 GLU 14 HB2 GLU 14 7.571 6.729 9.377 211 HG2 GLU 14 HG3 GLU 14 8.830 6.906 11.418 212 HG3 GLU 14 HG2 GLU 14 8.438 8.513 10.814 213 H ARG 15 H ARG 15 6.835 7.982 7.540 214 HA ARG 15 HA ARG 15 6.796 10.813 7.127 215 HB2 ARG 15 HB3 ARG 15 9.154 11.242 7.090 216 HB3 ARG 15 HB2 ARG 15 8.770 10.527 8.650 217 HG2 ARG 15 HG3 ARG 15 9.541 8.339 7.775 218 HG3 ARG 15 HG2 ARG 15 10.046 9.159 6.295 219 HD2 ARG 15 HD3 ARG 15 11.064 9.646 9.084 220 HD3 ARG 15 HD2 ARG 15 11.941 8.905 7.746 221 HE ARG 15 HE ARG 15 11.223 11.392 6.839 222 HH11 ARG 15 HH11 ARG 15 13.047 10.145 9.543 223 HH12 ARG 15 HH12 ARG 15 14.074 11.535 9.663 224 HH21 ARG 15 HH21 ARG 15 12.569 13.241 6.996 225 HH22 ARG 15 HH22 ARG 15 13.806 13.296 8.210 226 H ASP 16 H ASP 16 8.688 11.056 5.121 227 HA ASP 16 HA ASP 16 8.224 8.863 3.259 228 HB2 ASP 16 HB3 ASP 16 7.176 10.210 1.570 229 HB3 ASP 16 HB2 ASP 16 6.254 10.401 3.055 230 H GLU 17 H GLU 17 9.060 9.859 0.961 231 HA GLU 17 HA GLU 17 11.384 11.517 1.175 232 HB2 GLU 17 HB3 GLU 17 12.290 9.443 2.099 233 HB3 GLU 17 HB2 GLU 17 11.720 8.546 0.701 234 HG2 GLU 17 HG3 GLU 17 13.238 9.888 -0.719 235 HG3 GLU 17 HG2 GLU 17 13.862 10.655 0.742 236 H ASN 18 H ASN 18 10.970 12.699 -0.608 237 HA ASN 18 HA ASN 18 10.866 13.270 -2.814 238 HB2 ASN 18 HB3 ASN 18 12.561 11.278 -2.921 239 HB3 ASN 18 HB2 ASN 18 11.219 10.401 -3.643 240 HD21 ASN 18 HD21 ASN 18 10.497 10.988 -5.684 241 HD22 ASN 18 HD22 ASN 18 11.419 12.014 -6.728 242 H PHE 19 H PHE 19 8.578 12.339 -1.254 243 HA PHE 19 HA PHE 19 6.894 10.745 -2.938 244 HB2 PHE 19 HB3 PHE 19 6.666 10.677 -0.493 245 HB3 PHE 19 HB2 PHE 19 6.156 12.365 -0.494 246 HD1 PHE 19 HD1 PHE 19 5.256 9.074 -1.976 247 HD2 PHE 19 HD2 PHE 19 3.906 12.856 -0.582 248 HE1 PHE 19 HE1 PHE 19 2.929 8.365 -2.331 249 HE2 PHE 19 HE2 PHE 19 1.576 12.154 -0.930 250 HZ PHE 19 HZ PHE 19 1.081 9.906 -1.813 251 H ASP 20 H ASP 20 7.066 14.191 -2.143 252 HA ASP 20 HA ASP 20 4.789 15.049 -3.489 253 HB2 ASP 20 HB3 ASP 20 6.150 16.479 -2.004 254 HB3 ASP 20 HB2 ASP 20 7.427 16.504 -3.214 255 H GLU 21 H GLU 21 8.113 14.764 -4.709 256 HA GLU 21 HA GLU 21 7.590 15.559 -7.334 257 HB2 GLU 21 HB3 GLU 21 9.715 13.736 -6.221 258 HB3 GLU 21 HB2 GLU 21 9.677 14.262 -7.901 259 HG2 GLU 21 HG3 GLU 21 9.793 16.580 -7.182 260 HG3 GLU 21 HG2 GLU 21 9.817 16.051 -5.506 261 H TYR 22 H TYR 22 7.316 12.371 -5.818 262 HA TYR 22 HA TYR 22 6.726 10.912 -8.142 263 HB2 TYR 22 HB3 TYR 22 7.130 9.755 -6.069 264 HB3 TYR 22 HB2 TYR 22 5.757 10.551 -5.302 265 HD1 TYR 22 HD1 TYR 22 3.574 9.671 -5.503 266 HD2 TYR 22 HD2 TYR 22 6.710 8.089 -7.901 267 HE1 TYR 22 HE1 TYR 22 2.116 7.812 -6.174 268 HE2 TYR 22 HE2 TYR 22 5.258 6.225 -8.577 269 HH TYR 22 HH TYR 22 3.319 5.077 -7.964 270 H LEU 23 H LEU 23 4.684 12.902 -6.062 271 HA LEU 23 HA LEU 23 2.195 12.154 -7.174 272 HB2 LEU 23 HB3 LEU 23 3.050 14.693 -5.784 273 HB3 LEU 23 HB2 LEU 23 1.389 14.297 -6.179 274 HG LEU 23 HG LEU 23 3.148 12.669 -4.349 275 HD11 LEU 23 HD11 LEU 23 0.887 14.538 -3.676 276 HD12 LEU 23 HD12 LEU 23 2.597 14.888 -3.432 277 HD13 LEU 23 HD13 LEU 23 1.828 13.574 -2.541 278 HD21 LEU 23 HD21 LEU 23 1.084 11.516 -3.781 279 HD22 LEU 23 HD22 LEU 23 1.421 11.371 -5.505 280 HD23 LEU 23 HD23 LEU 23 0.194 12.504 -4.939 281 H LYS 24 H LYS 24 4.540 14.656 -7.992 282 HA LYS 24 HA LYS 24 3.000 16.055 -9.892 283 HB2 LYS 24 HB3 LYS 24 5.998 15.656 -9.790 284 HB3 LYS 24 HB2 LYS 24 5.166 16.864 -10.756 285 HG2 LYS 24 HG3 LYS 24 4.354 17.948 -8.739 286 HG3 LYS 24 HG2 LYS 24 5.142 16.715 -7.750 287 HD2 LYS 24 HD3 LYS 24 7.320 17.400 -8.625 288 HD3 LYS 24 HD2 LYS 24 6.537 18.620 -9.631 289 HE2 LYS 24 HE3 LYS 24 5.715 19.752 -7.633 290 HE3 LYS 24 HE2 LYS 24 6.461 18.520 -6.617 291 HZ1 LYS 24 HZ1 LYS 24 7.905 20.386 -8.419 292 HZ2 LYS 24 HZ2 LYS 24 8.630 19.197 -7.466 293 HZ3 LYS 24 HZ3 LYS 24 7.831 20.496 -6.734 294 H ALA 25 H ALA 25 5.322 13.426 -10.236 295 HA ALA 25 HA ALA 25 5.156 13.069 -13.007 296 HB1 ALA 25 HB1 ALA 25 5.703 10.974 -10.908 297 HB2 ALA 25 HB2 ALA 25 6.900 12.055 -11.620 298 HB3 ALA 25 HB3 ALA 25 6.091 10.852 -12.623 299 H ARG 26 H ARG 26 3.166 11.826 -10.409 300 HA ARG 26 HA ARG 26 1.645 10.045 -12.057 301 HB2 ARG 26 HB3 ARG 26 1.312 11.079 -9.257 302 HB3 ARG 26 HB2 ARG 26 0.074 10.088 -10.018 303 HG2 ARG 26 HG3 ARG 26 2.948 9.249 -9.727 304 HG3 ARG 26 HG2 ARG 26 1.675 8.843 -8.574 305 HD2 ARG 26 HD3 ARG 26 1.622 8.144 -11.507 306 HD3 ARG 26 HD2 ARG 26 2.130 7.047 -10.225 307 HE ARG 26 HE ARG 26 -0.212 7.469 -9.309 308 HH11 ARG 26 HH11 ARG 26 0.587 7.376 -12.721 309 HH12 ARG 26 HH12 ARG 26 -0.993 6.871 -13.214 310 HH21 ARG 26 HH21 ARG 26 -2.301 6.837 -9.955 311 HH22 ARG 26 HH22 ARG 26 -2.660 6.587 -11.640 312 H GLY 27 H GLY 27 1.607 13.395 -11.668 313 HA2 GLY 27 HA3 GLY 27 0.336 14.711 -13.193 314 HA3 GLY 27 HA2 GLY 27 -0.902 13.467 -13.190 315 H TYR 28 H TYR 28 0.229 14.136 -10.065 316 HA TYR 28 HA TYR 28 -2.238 15.519 -9.435 317 HB2 TYR 28 HB3 TYR 28 0.052 14.593 -7.689 318 HB3 TYR 28 HB2 TYR 28 -1.398 15.385 -7.080 319 HD1 TYR 28 HD1 TYR 28 0.075 12.280 -8.131 320 HD2 TYR 28 HD2 TYR 28 -3.622 14.245 -7.401 321 HE1 TYR 28 HE1 TYR 28 -1.051 10.097 -7.998 322 HE2 TYR 28 HE2 TYR 28 -4.761 12.074 -7.265 323 HH TYR 28 HH TYR 28 -4.457 9.797 -8.021 324 H GLY 29 H GLY 29 -2.424 17.624 -9.462 325 HA2 GLY 29 HA3 GLY 29 -0.149 19.360 -9.715 326 HA3 GLY 29 HA2 GLY 29 -1.835 19.850 -9.633 327 H TRP 30 H TRP 30 -0.513 21.531 -8.329 328 HA TRP 30 HA TRP 30 0.577 21.060 -5.847 329 HB2 TRP 30 HB3 TRP 30 0.791 23.243 -6.707 330 HB3 TRP 30 HB2 TRP 30 -0.943 23.414 -6.954 331 HD1 TRP 30 HD1 TRP 30 1.687 23.488 -4.139 332 HE1 TRP 30 HE1 TRP 30 0.683 24.743 -2.127 333 HE3 TRP 30 HE3 TRP 30 -3.080 24.126 -5.869 334 HZ2 TRP 30 HZ2 TRP 30 -1.808 25.843 -1.387 335 HZ3 TRP 30 HZ3 TRP 30 -4.707 25.292 -4.449 336 HH2 TRP 30 HH2 TRP 30 -4.080 26.136 -2.250 337 H ILE 31 H ILE 31 -2.823 21.479 -6.676 338 HA ILE 31 HA ILE 31 -3.890 21.800 -4.121 339 HB ILE 31 HB ILE 31 -5.184 20.425 -6.476 340 HG12 ILE 31 HG13 ILE 31 -6.390 22.677 -6.631 341 HG13 ILE 31 HG12 ILE 31 -5.097 23.299 -5.609 342 HG21 ILE 31 HG21 ILE 31 -6.375 19.799 -4.550 343 HG22 ILE 31 HG22 ILE 31 -7.306 21.089 -5.320 344 HG23 ILE 31 HG23 ILE 31 -6.321 21.442 -3.897 345 HD11 ILE 31 HD11 ILE 31 -3.468 22.839 -7.221 346 HD12 ILE 31 HD12 ILE 31 -4.806 23.584 -8.097 347 HD13 ILE 31 HD13 ILE 31 -4.567 21.833 -8.156 348 H MET 32 H MET 32 -3.785 18.870 -6.106 349 HA MET 32 HA MET 32 -4.692 17.233 -4.075 350 HB2 MET 32 HB3 MET 32 -3.308 16.695 -6.666 351 HB3 MET 32 HB2 MET 32 -3.639 15.380 -5.541 352 HG2 MET 32 HG3 MET 32 -5.967 16.968 -5.811 353 HG3 MET 32 HG2 MET 32 -5.384 16.550 -7.412 354 HE1 MET 32 HE1 MET 32 -5.170 14.947 -4.013 355 HE2 MET 32 HE2 MET 32 -6.227 13.535 -4.083 356 HE3 MET 32 HE3 MET 32 -6.922 15.158 -4.017 357 H ARG 33 H ARG 33 -1.426 18.068 -5.119 358 HA ARG 33 HA ARG 33 -0.030 16.260 -3.516 359 HB2 ARG 33 HB3 ARG 33 0.719 19.022 -4.463 360 HB3 ARG 33 HB2 ARG 33 1.826 17.991 -3.565 361 HG2 ARG 33 HG3 ARG 33 1.512 16.259 -5.348 362 HG3 ARG 33 HG2 ARG 33 0.630 17.473 -6.274 363 HD2 ARG 33 HD3 ARG 33 3.446 17.830 -5.266 364 HD3 ARG 33 HD2 ARG 33 3.043 17.244 -6.877 365 HE ARG 33 HE ARG 33 2.058 19.393 -7.341 366 HH11 ARG 33 HH11 ARG 33 4.028 19.223 -4.435 367 HH12 ARG 33 HH12 ARG 33 4.355 20.931 -4.429 368 HH21 ARG 33 HH21 ARG 33 2.532 21.611 -7.335 369 HH22 ARG 33 HH22 ARG 33 3.512 22.283 -6.071 370 H GLN 34 H GLN 34 -1.596 19.279 -2.693 371 HA GLN 34 HA GLN 34 -0.494 19.515 -0.083 372 HB2 GLN 34 HB3 GLN 34 -3.146 20.484 -1.173 373 HB3 GLN 34 HB2 GLN 34 -2.511 20.906 0.411 374 HG2 GLN 34 HG3 GLN 34 -1.320 21.612 -2.259 375 HG3 GLN 34 HG2 GLN 34 -2.122 22.703 -1.131 376 HE21 GLN 34 HE21 GLN 34 0.758 20.943 -1.855 377 HE22 GLN 34 HE22 GLN 34 1.761 21.665 -0.645 378 H VAL 35 H VAL 35 -3.408 17.951 -1.386 379 HA VAL 35 HA VAL 35 -4.465 17.152 1.100 380 HB VAL 35 HB VAL 35 -4.873 15.943 -1.643 381 HG11 VAL 35 HG11 VAL 35 -6.963 15.061 -0.748 382 HG12 VAL 35 HG12 VAL 35 -6.562 15.709 0.843 383 HG13 VAL 35 HG13 VAL 35 -5.574 14.430 0.135 384 HG21 VAL 35 HG21 VAL 35 -6.438 18.063 -0.180 385 HG22 VAL 35 HG22 VAL 35 -6.906 17.319 -1.708 386 HG23 VAL 35 HG23 VAL 35 -5.442 18.295 -1.617 387 H ILE 36 H ILE 36 -2.846 15.217 -1.427 388 HA ILE 36 HA ILE 36 -2.695 12.796 -0.221 389 HB ILE 36 HB ILE 36 -0.190 13.651 -1.544 390 HG12 ILE 36 HG13 ILE 36 -1.766 14.780 -2.976 391 HG13 ILE 36 HG12 ILE 36 -1.226 13.312 -3.774 392 HG21 ILE 36 HG21 ILE 36 -0.385 11.450 -2.521 393 HG22 ILE 36 HG22 ILE 36 -1.974 11.247 -1.779 394 HG23 ILE 36 HG23 ILE 36 -0.533 11.379 -0.767 395 HD11 ILE 36 HD11 ILE 36 -3.285 12.222 -3.300 396 HD12 ILE 36 HD12 ILE 36 -3.625 13.790 -4.050 397 HD13 ILE 36 HD13 ILE 36 -3.820 13.574 -2.306 398 H LYS 37 H LYS 37 -0.342 15.429 0.221 399 HA LYS 37 HA LYS 37 1.332 13.829 1.916 400 HB2 LYS 37 HB3 LYS 37 1.412 16.789 1.316 401 HB3 LYS 37 HB2 LYS 37 2.657 15.896 2.177 402 HG2 LYS 37 HG3 LYS 37 2.977 14.494 0.161 403 HG3 LYS 37 HG2 LYS 37 1.823 15.518 -0.690 404 HD2 LYS 37 HD3 LYS 37 4.438 16.412 0.522 405 HD3 LYS 37 HD2 LYS 37 4.120 16.170 -1.195 406 HE2 LYS 37 HE3 LYS 37 2.349 17.922 -1.038 407 HE3 LYS 37 HE2 LYS 37 2.864 18.223 0.621 408 HZ1 LYS 37 HZ1 LYS 37 5.082 18.761 -0.239 409 HZ2 LYS 37 HZ2 LYS 37 3.894 19.793 -0.856 410 HZ3 LYS 37 HZ3 LYS 37 4.519 18.552 -1.826 411 H LEU 38 H LEU 38 -1.202 16.185 2.404 412 HA LEU 38 HA LEU 38 -0.628 16.261 5.286 413 HB2 LEU 38 HB3 LEU 38 -2.514 17.958 3.651 414 HB3 LEU 38 HB2 LEU 38 -2.114 18.191 5.343 415 HG LEU 38 HG LEU 38 0.024 18.295 3.240 416 HD11 LEU 38 HD11 LEU 38 -1.723 19.828 2.527 417 HD12 LEU 38 HD12 LEU 38 -0.308 20.708 3.113 418 HD13 LEU 38 HD13 LEU 38 -1.743 20.569 4.130 419 HD21 LEU 38 HD21 LEU 38 0.727 18.156 5.565 420 HD22 LEU 38 HD22 LEU 38 -0.286 19.543 5.969 421 HD23 LEU 38 HD23 LEU 38 1.100 19.746 4.897 422 H ALA 39 H ALA 39 -1.834 13.942 4.033 423 HA ALA 39 HA ALA 39 -4.619 14.063 4.780 424 HB1 ALA 39 HB1 ALA 39 -4.844 11.894 3.765 425 HB2 ALA 39 HB2 ALA 39 -3.095 11.760 3.605 426 HB3 ALA 39 HB3 ALA 39 -3.973 12.967 2.669 427 H GLY 40 H GLY 40 -2.340 11.471 5.292 428 HA2 GLY 40 HA3 GLY 40 -1.898 10.602 7.523 429 HA3 GLY 40 HA2 GLY 40 -3.525 11.121 7.957 430 H VAL 41 H VAL 41 -1.717 8.478 7.160 431 HA VAL 41 HA VAL 41 -4.082 6.961 6.442 432 HB VAL 41 HB VAL 41 -3.495 7.291 4.247 433 HG11 VAL 41 HG11 VAL 41 -0.595 7.115 4.992 434 HG12 VAL 41 HG12 VAL 41 -1.498 8.586 4.623 435 HG13 VAL 41 HG13 VAL 41 -1.232 7.374 3.369 436 HG21 VAL 41 HG21 VAL 41 -2.426 5.269 3.381 437 HG22 VAL 41 HG22 VAL 41 -3.578 4.891 4.662 438 HG23 VAL 41 HG23 VAL 41 -1.845 4.884 5.001 439 H THR 42 H THR 42 -4.122 4.974 7.181 440 HA THR 42 HA THR 42 -1.726 3.939 8.544 441 HB THR 42 HB THR 42 -4.632 3.375 9.181 442 HG1 THR 42 HG1 THR 42 -3.456 5.588 9.598 443 HG21 THR 42 HG21 THR 42 -3.071 1.588 9.840 444 HG22 THR 42 HG22 THR 42 -3.750 2.409 11.245 445 HG23 THR 42 HG23 THR 42 -2.103 2.766 10.725 446 H LYS 43 H LYS 43 -0.909 2.099 7.728 447 HA LYS 43 HA LYS 43 -2.403 0.621 5.715 448 HB2 LYS 43 HB3 LYS 43 0.422 0.318 6.750 449 HB3 LYS 43 HB2 LYS 43 -0.275 -0.658 5.469 450 HG2 LYS 43 HG3 LYS 43 -0.039 2.334 5.320 451 HG3 LYS 43 HG2 LYS 43 1.200 1.228 4.730 452 HD2 LYS 43 HD3 LYS 43 -0.448 0.216 3.209 453 HD3 LYS 43 HD2 LYS 43 -1.666 1.359 3.788 454 HE2 LYS 43 HE3 LYS 43 -0.349 3.219 2.966 455 HE3 LYS 43 HE2 LYS 43 0.937 2.123 2.475 456 HZ1 LYS 43 HZ1 LYS 43 -0.612 2.923 0.682 457 HZ2 LYS 43 HZ2 LYS 43 -1.802 1.932 1.377 458 HZ3 LYS 43 HZ3 LYS 43 -0.382 1.243 0.768 459 H LYS 44 H LYS 44 -3.313 -1.340 6.023 460 HA LYS 44 HA LYS 44 -2.673 -2.788 8.502 461 HB2 LYS 44 HB3 LYS 44 -5.417 -2.505 7.267 462 HB3 LYS 44 HB2 LYS 44 -5.024 -3.468 8.678 463 HG2 LYS 44 HG3 LYS 44 -4.459 -1.468 9.923 464 HG3 LYS 44 HG2 LYS 44 -4.761 -0.474 8.497 465 HD2 LYS 44 HD3 LYS 44 -6.683 -0.365 9.945 466 HD3 LYS 44 HD2 LYS 44 -7.110 -1.278 8.498 467 HE2 LYS 44 HE3 LYS 44 -6.649 -3.373 9.791 468 HE3 LYS 44 HE2 LYS 44 -6.463 -2.371 11.227 469 HZ1 LYS 44 HZ1 LYS 44 -8.905 -2.657 9.566 470 HZ2 LYS 44 HZ2 LYS 44 -8.746 -1.561 10.850 471 HZ3 LYS 44 HZ3 LYS 44 -8.678 -3.223 11.148 472 H PHE 45 H PHE 45 -1.749 -4.635 7.949 473 HA PHE 45 HA PHE 45 -2.852 -6.130 5.649 474 HB2 PHE 45 HB3 PHE 45 -0.038 -6.130 6.760 475 HB3 PHE 45 HB2 PHE 45 -0.620 -7.285 5.573 476 HD1 PHE 45 HD1 PHE 45 0.052 -3.699 6.161 477 HD2 PHE 45 HD2 PHE 45 -0.657 -6.762 3.290 478 HE1 PHE 45 HE1 PHE 45 0.704 -2.157 4.359 479 HE2 PHE 45 HE2 PHE 45 -0.008 -5.222 1.486 480 HZ PHE 45 HZ PHE 45 0.673 -2.918 2.020 481 H ARG 46 H ARG 46 -3.732 -8.082 6.122 482 HA ARG 46 HA ARG 46 -2.811 -9.628 8.368 483 HB2 ARG 46 HB3 ARG 46 -5.017 -9.692 9.502 484 HB3 ARG 46 HB2 ARG 46 -4.254 -8.108 9.568 485 HG2 ARG 46 HG3 ARG 46 -5.696 -7.278 7.840 486 HG3 ARG 46 HG2 ARG 46 -6.379 -8.884 7.583 487 HD2 ARG 46 HD3 ARG 46 -7.867 -7.452 8.907 488 HD3 ARG 46 HD2 ARG 46 -7.329 -8.864 9.810 489 HE ARG 46 HE ARG 46 -5.956 -6.294 10.162 490 HH11 ARG 46 HH11 ARG 46 -7.892 -8.907 11.453 491 HH12 ARG 46 HH12 ARG 46 -7.713 -8.399 13.101 492 HH21 ARG 46 HH21 ARG 46 -5.712 -5.620 12.347 493 HH22 ARG 46 HH22 ARG 46 -6.477 -6.529 13.610 494 H ASN 47 H ASN 47 -4.017 -11.625 8.610 495 HA ASN 47 HA ASN 47 -4.768 -12.906 6.174 496 HB2 ASN 47 HB3 ASN 47 -5.535 -14.765 7.628 497 HB3 ASN 47 HB2 ASN 47 -3.920 -14.220 8.063 498 HD21 ASN 47 HD21 ASN 47 -3.615 -13.101 9.988 499 HD22 ASN 47 HD22 ASN 47 -4.792 -13.108 11.252 500 H ALA 48 H ALA 48 -6.914 -13.515 5.471 501 HA ALA 48 HA ALA 48 -8.656 -11.402 5.383 502 HB1 ALA 48 HB1 ALA 48 -8.664 -13.324 3.831 503 HB2 ALA 48 HB2 ALA 48 -10.275 -12.914 4.420 504 HB3 ALA 48 HB3 ALA 48 -9.418 -14.305 5.086 505 H ALA 49 H ALA 49 -9.811 -10.462 6.770 506 HA ALA 49 HA ALA 49 -10.102 -10.978 9.406 507 HB1 ALA 49 HB1 ALA 49 -11.815 -9.301 9.429 508 HB2 ALA 49 HB2 ALA 49 -12.122 -9.546 7.710 509 HB3 ALA 49 HB3 ALA 49 -10.584 -8.864 8.241 510 H SER 50 H SER 50 -12.371 -12.056 6.866 511 HA SER 50 HA SER 50 -14.288 -13.037 8.697 512 HB2 SER 50 HB3 SER 50 -13.837 -13.650 5.775 513 HB3 SER 50 HB2 SER 50 -15.285 -14.073 6.688 514 HG SER 50 HG SER 50 -15.802 -11.954 6.876 515 H GLY 51 H GLY 51 -11.331 -14.114 8.651 516 HA2 GLY 51 HA3 GLY 51 -10.409 -16.074 9.427 517 HA3 GLY 51 HA2 GLY 51 -12.040 -16.697 9.628 518 H LYS 52 H LYS 52 -11.139 -15.541 6.510 519 HA LYS 52 HA LYS 52 -11.384 -18.180 5.395 520 HB2 LYS 52 HB3 LYS 52 -12.405 -16.264 4.276 521 HB3 LYS 52 HB2 LYS 52 -10.839 -15.480 4.146 522 HG2 LYS 52 HG3 LYS 52 -11.276 -16.357 2.035 523 HG3 LYS 52 HG2 LYS 52 -10.115 -17.459 2.772 524 HD2 LYS 52 HD3 LYS 52 -11.933 -18.993 3.347 525 HD3 LYS 52 HD2 LYS 52 -13.099 -17.887 2.621 526 HE2 LYS 52 HE3 LYS 52 -11.993 -18.156 0.453 527 HE3 LYS 52 HE2 LYS 52 -10.834 -19.266 1.182 528 HZ1 LYS 52 HZ1 LYS 52 -13.766 -19.701 0.994 529 HZ2 LYS 52 HZ2 LYS 52 -12.658 -20.765 1.695 530 HZ3 LYS 52 HZ3 LYS 52 -12.592 -20.450 0.035 531 HA PRO 53 HA PRO 53 -6.951 -18.743 5.750 532 HB2 PRO 53 HB3 PRO 53 -6.839 -21.239 4.725 533 HB3 PRO 53 HB2 PRO 53 -7.433 -20.910 6.357 534 HG2 PRO 53 HG3 PRO 53 -8.973 -21.386 3.839 535 HG3 PRO 53 HG2 PRO 53 -9.265 -22.028 5.465 536 HD2 PRO 53 HD3 PRO 53 -10.644 -19.927 4.444 537 HD3 PRO 53 HD2 PRO 53 -10.304 -20.100 6.176 538 H ASP 54 H ASP 54 -5.239 -18.544 4.433 539 HA ASP 54 HA ASP 54 -3.904 -18.520 2.589 540 HB2 ASP 54 HB3 ASP 54 -5.090 -20.387 1.560 541 HB3 ASP 54 HB2 ASP 54 -6.391 -19.315 1.053 542 H ARG 55 H ARG 55 -7.131 -17.286 1.847 543 HA ARG 55 HA ARG 55 -6.329 -14.901 0.660 544 HB2 ARG 55 HB3 ARG 55 -8.824 -15.865 1.949 545 HB3 ARG 55 HB2 ARG 55 -8.669 -14.136 1.673 546 HG2 ARG 55 HG3 ARG 55 -9.849 -15.248 -0.141 547 HG3 ARG 55 HG2 ARG 55 -8.348 -14.510 -0.694 548 HD2 ARG 55 HD3 ARG 55 -7.252 -16.651 -0.741 549 HD3 ARG 55 HD2 ARG 55 -8.656 -17.430 -0.008 550 HE ARG 55 HE ARG 55 -9.738 -16.386 -2.197 551 HH11 ARG 55 HH11 ARG 55 -6.748 -18.196 -1.824 552 HH12 ARG 55 HH12 ARG 55 -6.852 -18.895 -3.411 553 HH21 ARG 55 HH21 ARG 55 -9.845 -17.298 -4.269 554 HH22 ARG 55 HH22 ARG 55 -8.603 -18.384 -4.798 555 H TYR 56 H TYR 56 -5.876 -12.911 1.336 556 HA TYR 56 HA TYR 56 -5.844 -12.382 4.236 557 HB2 TYR 56 HB3 TYR 56 -3.965 -11.433 2.058 558 HB3 TYR 56 HB2 TYR 56 -3.998 -10.738 3.674 559 HD1 TYR 56 HD1 TYR 56 -3.140 -13.698 1.689 560 HD2 TYR 56 HD2 TYR 56 -3.057 -11.944 5.561 561 HE1 TYR 56 HE1 TYR 56 -1.565 -15.426 2.430 562 HE2 TYR 56 HE2 TYR 56 -1.478 -13.668 6.312 563 HH TYR 56 HH TYR 56 0.181 -15.677 4.203 564 H ASP 57 H ASP 57 -6.051 -9.960 4.698 565 HA ASP 57 HA ASP 57 -7.322 -8.511 2.503 566 HB2 ASP 57 HB3 ASP 57 -9.153 -7.715 3.733 567 HB3 ASP 57 HB2 ASP 57 -9.089 -9.427 4.113 568 H MET 58 H MET 58 -7.199 -6.203 2.716 569 HA MET 58 HA MET 58 -5.065 -5.278 4.479 570 HB2 MET 58 HB3 MET 58 -3.922 -6.219 2.524 571 HB3 MET 58 HB2 MET 58 -4.907 -5.236 1.454 572 HG2 MET 58 HG3 MET 58 -3.171 -3.965 3.519 573 HG3 MET 58 HG2 MET 58 -2.497 -4.511 1.984 574 HE1 MET 58 HE1 MET 58 -2.754 -0.596 1.701 575 HE2 MET 58 HE2 MET 58 -1.660 -1.987 1.742 576 HE3 MET 58 HE3 MET 58 -2.521 -1.490 3.203 577 H GLU 59 H GLU 59 -5.183 -3.077 4.901 578 HA GLU 59 HA GLU 59 -7.340 -1.649 3.508 579 HB2 GLU 59 HB3 GLU 59 -6.883 -1.658 6.489 580 HB3 GLU 59 HB2 GLU 59 -8.029 -0.624 5.655 581 HG2 GLU 59 HG3 GLU 59 -9.281 -2.564 4.923 582 HG3 GLU 59 HG2 GLU 59 -8.107 -3.629 5.695 583 H ASN 60 H ASN 60 -7.258 0.526 3.366 584 HA ASN 60 HA ASN 60 -4.785 1.863 4.249 585 HB2 ASN 60 HB3 ASN 60 -6.310 2.382 1.680 586 HB3 ASN 60 HB2 ASN 60 -4.894 3.270 2.232 587 HD21 ASN 60 HD21 ASN 60 -6.067 0.339 0.823 588 HD22 ASN 60 HD22 ASN 60 -4.524 -0.302 0.378 589 H LEU 61 H LEU 61 -5.901 2.555 6.105 590 HA LEU 61 HA LEU 61 -8.347 4.065 5.800 591 HB2 LEU 61 HB3 LEU 61 -6.650 3.287 8.155 592 HB3 LEU 61 HB2 LEU 61 -7.999 4.391 8.320 593 HG LEU 61 HG LEU 61 -8.183 1.548 7.321 594 HD11 LEU 61 HD11 LEU 61 -9.043 2.757 9.942 595 HD12 LEU 61 HD12 LEU 61 -7.657 1.694 9.705 596 HD13 LEU 61 HD13 LEU 61 -9.289 1.088 9.432 597 HD21 LEU 61 HD21 LEU 61 -9.876 2.994 6.315 598 HD22 LEU 61 HD22 LEU 61 -10.340 3.573 7.913 599 HD23 LEU 61 HD23 LEU 61 -10.603 1.886 7.478 600 H THR 62 H THR 62 -8.232 6.080 5.077 601 HA THR 62 HA THR 62 -5.997 7.742 5.986 602 HB THR 62 HB THR 62 -5.886 8.857 3.878 603 HG1 THR 62 HG1 THR 62 -7.386 7.882 2.164 604 HG21 THR 62 HG21 THR 62 -6.233 6.111 2.827 605 HG22 THR 62 HG22 THR 62 -5.100 6.322 4.159 606 HG23 THR 62 HG23 THR 62 -4.873 7.225 2.665 607 H THR 63 H THR 63 -6.677 10.163 5.341 608 HA THR 63 HA THR 63 -8.985 10.631 7.001 609 HB THR 63 HB THR 63 -8.243 12.904 7.094 610 HG1 THR 63 HG1 THR 63 -6.727 13.724 5.662 611 HG21 THR 63 HG21 THR 63 -6.224 12.566 8.157 612 HG22 THR 63 HG22 THR 63 -5.622 11.484 6.896 613 HG23 THR 63 HG23 THR 63 -6.818 10.902 8.068 614 H LYS 64 H LYS 64 -8.187 10.708 3.631 615 HA LYS 64 HA LYS 64 -10.619 12.231 3.022 616 HB2 LYS 64 HB3 LYS 64 -8.308 11.499 1.212 617 HB3 LYS 64 HB2 LYS 64 -9.656 12.546 0.795 618 HG2 LYS 64 HG3 LYS 64 -7.613 13.110 2.935 619 HG3 LYS 64 HG2 LYS 64 -7.605 13.791 1.310 620 HD2 LYS 64 HD3 LYS 64 -9.828 14.155 3.316 621 HD3 LYS 64 HD2 LYS 64 -8.541 15.324 3.020 622 HE2 LYS 64 HE3 LYS 64 -9.270 15.507 0.678 623 HE3 LYS 64 HE2 LYS 64 -10.571 14.363 1.004 624 HZ1 LYS 64 HZ1 LYS 64 -10.242 17.007 2.311 625 HZ2 LYS 64 HZ2 LYS 64 -11.498 15.915 2.594 626 HZ3 LYS 64 HZ3 LYS 64 -11.347 16.654 1.081 627 H LYS 65 H LYS 65 -9.304 9.086 3.011 628 HA LYS 65 HA LYS 65 -11.568 8.110 1.437 629 HB2 LYS 65 HB3 LYS 65 -8.663 7.465 1.007 630 HB3 LYS 65 HB2 LYS 65 -9.945 6.428 0.414 631 HG2 LYS 65 HG3 LYS 65 -10.080 9.289 -0.313 632 HG3 LYS 65 HG2 LYS 65 -8.829 8.307 -1.075 633 HD2 LYS 65 HD3 LYS 65 -10.685 8.191 -2.519 634 HD3 LYS 65 HD2 LYS 65 -10.672 6.661 -1.653 635 HE2 LYS 65 HE3 LYS 65 -12.926 7.504 -1.817 636 HE3 LYS 65 HE2 LYS 65 -12.401 7.526 -0.138 637 HZ1 LYS 65 HZ1 LYS 65 -13.596 9.549 -0.816 638 HZ2 LYS 65 HZ2 LYS 65 -12.374 9.886 -1.937 639 HZ3 LYS 65 HZ3 LYS 65 -12.025 9.877 -0.281 640 H ASP 66 H ASP 66 -10.345 5.462 1.513 641 HA ASP 66 HA ASP 66 -10.038 4.212 3.813 642 HB2 ASP 66 HB3 ASP 66 -12.273 3.596 4.694 643 HB3 ASP 66 HB2 ASP 66 -11.890 5.290 4.913 644 H THR 67 H THR 67 -9.267 2.636 2.634 645 HA THR 67 HA THR 67 -11.129 1.288 0.802 646 HB THR 67 HB THR 67 -9.279 0.717 -0.653 647 HG1 THR 67 HG1 THR 67 -7.251 2.089 0.045 648 HG21 THR 67 HG21 THR 67 -8.618 2.993 -1.405 649 HG22 THR 67 HG22 THR 67 -9.319 3.645 0.079 650 HG23 THR 67 HG23 THR 67 -10.349 2.837 -1.102 651 H HIS 68 H HIS 68 -11.034 -0.951 0.713 652 HA HIS 68 HA HIS 68 -9.460 -2.290 2.767 653 HB2 HIS 68 HB3 HIS 68 -11.661 -1.651 3.791 654 HB3 HIS 68 HB2 HIS 68 -12.462 -2.628 2.567 655 HD1 HIS 68 HD1 HIS 68 -12.977 -3.370 5.415 656 HD2 HIS 68 HD2 HIS 68 -9.785 -4.928 3.263 657 HE1 HIS 68 HE1 HIS 68 -12.355 -5.508 6.579 658 HE2 HIS 68 HE2 HIS 68 -10.236 -6.260 5.437 659 H HIS 69 H HIS 69 -8.327 -3.276 1.137 660 HA HIS 69 HA HIS 69 -9.515 -4.794 -0.958 661 HB2 HIS 69 HB3 HIS 69 -6.798 -5.177 0.330 662 HB3 HIS 69 HB2 HIS 69 -7.296 -5.771 -1.245 663 HD1 HIS 69 HD1 HIS 69 -8.662 -2.840 -1.920 664 HD2 HIS 69 HD2 HIS 69 -4.734 -3.696 -0.840 665 HE1 HIS 69 HE1 HIS 69 -7.277 -0.965 -2.842 666 HE2 HIS 69 HE2 HIS 69 -4.883 -1.643 -2.410 667 H LYS 70 H LYS 70 -11.129 -6.045 0.018 668 HA LYS 70 HA LYS 70 -10.402 -7.751 2.246 669 HB2 LYS 70 HB3 LYS 70 -12.902 -8.220 2.202 670 HB3 LYS 70 HB2 LYS 70 -12.403 -6.582 2.594 671 HG2 LYS 70 HG3 LYS 70 -12.764 -6.041 0.145 672 HG3 LYS 70 HG2 LYS 70 -13.575 -7.603 0.023 673 HD2 LYS 70 HD3 LYS 70 -15.302 -6.076 0.418 674 HD3 LYS 70 HD2 LYS 70 -14.980 -6.796 1.993 675 HE2 LYS 70 HE3 LYS 70 -13.568 -4.870 2.568 676 HE3 LYS 70 HE2 LYS 70 -13.957 -4.142 1.011 677 HZ1 LYS 70 HZ1 LYS 70 -15.872 -4.749 3.195 678 HZ2 LYS 70 HZ2 LYS 70 -16.304 -4.144 1.676 679 HZ3 LYS 70 HZ3 LYS 70 -15.347 -3.212 2.715 680 H ASP 71 H ASP 71 -9.857 -9.758 2.045 681 HA ASP 71 HA ASP 71 -9.780 -11.944 1.424 682 HB2 ASP 71 HB3 ASP 71 -12.262 -11.751 1.497 683 HB3 ASP 71 HB2 ASP 71 -12.252 -11.320 -0.205 684 H TRP 72 H TRP 72 -7.847 -10.935 0.292 685 HA TRP 72 HA TRP 72 -8.043 -11.582 -2.577 686 HB2 TRP 72 HB3 TRP 72 -6.131 -10.062 -2.950 687 HB3 TRP 72 HB2 TRP 72 -7.538 -9.221 -2.315 688 HD1 TRP 72 HD1 TRP 72 -7.331 -8.123 0.087 689 HE1 TRP 72 HE1 TRP 72 -5.309 -7.563 1.576 690 HE3 TRP 72 HE3 TRP 72 -3.754 -10.939 -2.265 691 HZ2 TRP 72 HZ2 TRP 72 -2.572 -8.233 1.711 692 HZ3 TRP 72 HZ3 TRP 72 -1.465 -10.875 -1.347 693 HH2 TRP 72 HH2 TRP 72 -0.901 -9.565 0.579 694 H ALA 73 H ALA 73 -6.277 -12.724 -3.511 695 HA ALA 73 HA ALA 73 -4.635 -14.120 -1.504 696 HB1 ALA 73 HB1 ALA 73 -4.592 -15.999 -3.077 697 HB2 ALA 73 HB2 ALA 73 -5.613 -15.084 -4.189 698 HB3 ALA 73 HB3 ALA 73 -6.240 -15.576 -2.615 699 H LEU 74 H LEU 74 -2.461 -14.095 -1.742 700 HA LEU 74 HA LEU 74 -1.117 -12.348 -3.399 701 HB2 LEU 74 HB3 LEU 74 -0.385 -13.667 -1.293 702 HB3 LEU 74 HB2 LEU 74 0.071 -14.928 -2.415 703 HG LEU 74 HG LEU 74 1.192 -12.124 -2.494 704 HD11 LEU 74 HD11 LEU 74 1.864 -13.084 -0.421 705 HD12 LEU 74 HD12 LEU 74 3.228 -13.231 -1.529 706 HD13 LEU 74 HD13 LEU 74 2.219 -14.632 -1.184 707 HD21 LEU 74 HD21 LEU 74 2.926 -13.149 -3.889 708 HD22 LEU 74 HD22 LEU 74 1.326 -13.303 -4.616 709 HD23 LEU 74 HD23 LEU 74 2.066 -14.688 -3.817 710 H GLY 75 H GLY 75 -0.431 -12.410 -5.442 711 HA2 GLY 75 HA3 GLY 75 0.158 -13.314 -7.518 712 HA3 GLY 75 HA2 GLY 75 -0.333 -14.900 -6.942 713 H GLU 76 H GLU 76 -2.741 -12.821 -6.157 714 HA GLU 76 HA GLU 76 -4.240 -13.568 -8.570 715 HB2 GLU 76 HB3 GLU 76 -5.236 -13.289 -5.738 716 HB3 GLU 76 HB2 GLU 76 -6.279 -13.528 -7.130 717 HG2 GLU 76 HG3 GLU 76 -4.214 -15.430 -6.056 718 HG3 GLU 76 HG2 GLU 76 -5.965 -15.622 -6.030 719 H GLU 77 H GLU 77 -6.264 -12.176 -8.797 720 HA GLU 77 HA GLU 77 -5.579 -9.335 -8.400 721 HB2 GLU 77 HB3 GLU 77 -4.897 -10.025 -10.672 722 HB3 GLU 77 HB2 GLU 77 -6.518 -10.626 -10.981 723 HG2 GLU 77 HG3 GLU 77 -7.362 -8.307 -10.643 724 HG3 GLU 77 HG2 GLU 77 -5.684 -7.772 -10.549 725 H PHE 78 H PHE 78 -7.303 -8.157 -7.759 726 HA PHE 78 HA PHE 78 -9.993 -9.301 -8.075 727 HB2 PHE 78 HB3 PHE 78 -10.468 -8.686 -5.715 728 HB3 PHE 78 HB2 PHE 78 -9.225 -9.924 -5.848 729 HD1 PHE 78 HD1 PHE 78 -6.829 -9.284 -5.547 730 HD2 PHE 78 HD2 PHE 78 -10.026 -6.613 -4.689 731 HE1 PHE 78 HE1 PHE 78 -5.304 -7.904 -4.201 732 HE2 PHE 78 HE2 PHE 78 -8.507 -5.221 -3.344 733 HZ PHE 78 HZ PHE 78 -6.141 -5.865 -3.103 734 H GLN 79 H GLN 79 -11.700 -7.713 -7.847 735 HA GLN 79 HA GLN 79 -10.843 -5.012 -8.511 736 HB2 GLN 79 HB3 GLN 79 -13.518 -6.389 -8.527 737 HB3 GLN 79 HB2 GLN 79 -13.377 -4.643 -8.693 738 HG2 GLN 79 HG3 GLN 79 -12.104 -4.865 -10.693 739 HG3 GLN 79 HG2 GLN 79 -11.983 -6.607 -10.479 740 HE21 GLN 79 HE21 GLN 79 -12.905 -7.015 -12.473 741 HE22 GLN 79 HE22 GLN 79 -14.587 -6.783 -12.782 742 H ASP 80 H ASP 80 -11.439 -3.216 -7.324 743 HA ASP 80 HA ASP 80 -12.626 -3.375 -4.738 744 HB2 ASP 80 HB3 ASP 80 -10.299 -4.516 -4.496 745 HB3 ASP 80 HB2 ASP 80 -9.657 -2.891 -4.652 746 H GLU 81 H GLU 81 -12.275 -1.267 -3.529 747 HA GLU 81 HA GLU 81 -12.153 0.899 -5.503 748 HB2 GLU 81 HB3 GLU 81 -14.252 0.709 -4.179 749 HB3 GLU 81 HB2 GLU 81 -13.313 0.932 -2.709 750 HG2 GLU 81 HG3 GLU 81 -12.625 3.150 -3.504 751 HG3 GLU 81 HG2 GLU 81 -13.619 2.927 -4.941 752 H ALA 82 H ALA 82 -10.432 2.067 -5.562 753 HA ALA 82 HA ALA 82 -8.468 1.742 -3.429 754 HB1 ALA 82 HB1 ALA 82 -7.919 1.242 -5.788 755 HB2 ALA 82 HB2 ALA 82 -6.831 2.405 -5.024 756 HB3 ALA 82 HB3 ALA 82 -8.079 2.962 -6.142 757 H LEU 83 H LEU 83 -6.899 3.785 -3.325 758 HA LEU 83 HA LEU 83 -8.338 5.741 -1.908 759 HB2 LEU 83 HB3 LEU 83 -5.507 5.772 -2.957 760 HB3 LEU 83 HB2 LEU 83 -6.167 7.014 -1.916 761 HG LEU 83 HG LEU 83 -4.883 5.599 -0.533 762 HD11 LEU 83 HD11 LEU 83 -7.765 4.793 -0.202 763 HD12 LEU 83 HD12 LEU 83 -7.014 6.253 0.443 764 HD13 LEU 83 HD13 LEU 83 -6.506 4.667 1.024 765 HD21 LEU 83 HD21 LEU 83 -5.138 3.184 -0.414 766 HD22 LEU 83 HD22 LEU 83 -4.692 3.690 -2.044 767 HD23 LEU 83 HD23 LEU 83 -6.359 3.239 -1.686 768 H ASP 84 H ASP 84 -7.700 5.424 -5.234 769 HA ASP 84 HA ASP 84 -7.976 8.223 -5.844 770 HB2 ASP 84 HB3 ASP 84 -7.970 7.534 -8.193 771 HB3 ASP 84 HB2 ASP 84 -6.635 6.814 -7.309 772 H SER 85 H SER 85 -10.093 6.352 -4.522 773 HA SER 85 HA SER 85 -12.239 6.811 -3.994 774 HB2 SER 85 HB3 SER 85 -12.106 8.878 -6.191 775 HB3 SER 85 HB2 SER 85 -13.445 8.686 -5.060 776 HG SER 85 HG SER 85 -10.781 9.478 -4.522 777 H THR 86 H THR 86 -11.505 6.312 -7.391 778 HA THR 86 HA THR 86 -14.081 5.020 -7.785 779 HB THR 86 HB THR 86 -13.085 4.509 -10.092 780 HG1 THR 86 HG1 THR 86 -10.881 5.382 -9.001 781 HG21 THR 86 HG21 THR 86 -14.729 6.271 -9.695 782 HG22 THR 86 HG22 THR 86 -13.547 6.769 -10.905 783 HG23 THR 86 HG23 THR 86 -13.437 7.388 -9.258 784 H GLN 87 H GLN 87 -14.022 2.781 -8.847 785 HA GLN 87 HA GLN 87 -12.048 1.186 -7.374 786 HB2 GLN 87 HB3 GLN 87 -13.654 -0.679 -7.507 787 HB3 GLN 87 HB2 GLN 87 -14.252 0.679 -6.556 788 HG2 GLN 87 HG3 GLN 87 -15.654 1.384 -8.395 789 HG3 GLN 87 HG2 GLN 87 -14.992 0.107 -9.417 790 HE21 GLN 87 HE21 GLN 87 -15.629 -0.375 -6.045 791 HE22 GLN 87 HE22 GLN 87 -16.972 -1.435 -6.240 792 H HIS 88 H HIS 88 -11.240 -0.673 -8.377 793 HA HIS 88 HA HIS 88 -11.686 -1.194 -11.134 794 HB2 HIS 88 HB3 HIS 88 -9.285 -0.463 -11.766 795 HB3 HIS 88 HB2 HIS 88 -10.552 0.756 -11.678 796 HD1 HIS 88 HD1 HIS 88 -7.939 -0.676 -9.291 797 HD2 HIS 88 HD2 HIS 88 -9.783 2.917 -10.281 798 HE1 HIS 88 HE1 HIS 88 -6.924 1.054 -7.774 799 HE2 HIS 88 HE2 HIS 88 -8.134 3.201 -8.304 800 H LYS 89 H LYS 89 -9.352 -2.320 -11.931 801 HA LYS 89 HA LYS 89 -9.349 -4.663 -10.276 802 HB2 LYS 89 HB3 LYS 89 -7.784 -5.543 -12.024 803 HB3 LYS 89 HB2 LYS 89 -9.339 -5.006 -12.639 804 HG2 LYS 89 HG3 LYS 89 -8.379 -2.974 -13.472 805 HG3 LYS 89 HG2 LYS 89 -6.828 -3.355 -12.725 806 HD2 LYS 89 HD3 LYS 89 -8.128 -5.103 -14.803 807 HD3 LYS 89 HD2 LYS 89 -6.999 -3.805 -15.201 808 HE2 LYS 89 HE3 LYS 89 -5.268 -4.853 -13.894 809 HE3 LYS 89 HE2 LYS 89 -6.390 -6.095 -13.344 810 HZ1 LYS 89 HZ1 LYS 89 -5.565 -5.673 -16.164 811 HZ2 LYS 89 HZ2 LYS 89 -6.583 -6.897 -15.595 812 HZ3 LYS 89 HZ3 LYS 89 -4.958 -6.872 -15.139 813 H ILE 90 H ILE 90 -7.712 -5.490 -9.104 814 HA ILE 90 HA ILE 90 -5.236 -3.959 -8.810 815 HB ILE 90 HB ILE 90 -7.109 -4.704 -6.566 816 HG12 ILE 90 HG13 ILE 90 -5.948 -2.047 -7.431 817 HG13 ILE 90 HG12 ILE 90 -7.609 -2.574 -7.682 818 HG21 ILE 90 HG21 ILE 90 -5.387 -3.936 -5.024 819 HG22 ILE 90 HG22 ILE 90 -4.282 -3.681 -6.376 820 HG23 ILE 90 HG23 ILE 90 -4.829 -5.314 -5.979 821 HD11 ILE 90 HD11 ILE 90 -7.542 -1.070 -5.836 822 HD12 ILE 90 HD12 ILE 90 -6.264 -2.004 -5.059 823 HD13 ILE 90 HD13 ILE 90 -7.877 -2.690 -5.228 824 H THR 91 H THR 91 -3.570 -5.323 -8.909 825 HA THR 91 HA THR 91 -4.024 -8.132 -8.182 826 HB THR 91 HB THR 91 -1.695 -7.076 -9.760 827 HG1 THR 91 HG1 THR 91 -3.778 -8.342 -11.101 828 HG21 THR 91 HG21 THR 91 -1.571 -9.393 -10.569 829 HG22 THR 91 HG22 THR 91 -2.940 -9.813 -9.537 830 HG23 THR 91 HG23 THR 91 -1.416 -9.302 -8.814 831 H PHE 92 H PHE 92 -2.941 -9.015 -6.561 832 HA PHE 92 HA PHE 92 -0.753 -7.484 -5.306 833 HB2 PHE 92 HB3 PHE 92 -3.052 -8.935 -4.123 834 HB3 PHE 92 HB2 PHE 92 -1.499 -9.181 -3.332 835 HD1 PHE 92 HD1 PHE 92 -3.862 -6.545 -4.443 836 HD2 PHE 92 HD2 PHE 92 -0.680 -7.602 -1.826 837 HE1 PHE 92 HE1 PHE 92 -4.150 -4.411 -3.243 838 HE2 PHE 92 HE2 PHE 92 -0.962 -5.476 -0.628 839 HZ PHE 92 HZ PHE 92 -2.716 -3.918 -1.275 840 H ASP 93 H ASP 93 1.168 -8.512 -5.143 841 HA ASP 93 HA ASP 93 1.494 -11.307 -5.107 842 HB2 ASP 93 HB3 ASP 93 2.349 -11.757 -7.316 843 HB3 ASP 93 HB2 ASP 93 0.745 -11.060 -7.489 844 H LEU 94 H LEU 94 3.928 -11.793 -5.721 845 HA LEU 94 HA LEU 94 5.443 -9.622 -4.440 846 HB2 LEU 94 HB3 LEU 94 5.325 -12.452 -3.894 847 HB3 LEU 94 HB2 LEU 94 6.972 -11.909 -4.171 848 HG LEU 94 HG LEU 94 6.594 -10.108 -2.475 849 HD11 LEU 94 HD11 LEU 94 4.721 -10.363 -0.930 850 HD12 LEU 94 HD12 LEU 94 4.070 -11.650 -1.940 851 HD13 LEU 94 HD13 LEU 94 4.179 -10.012 -2.572 852 HD21 LEU 94 HD21 LEU 94 7.779 -12.135 -1.907 853 HD22 LEU 94 HD22 LEU 94 6.258 -12.941 -1.533 854 HD23 LEU 94 HD23 LEU 94 6.799 -11.584 -0.549 855 H LYS 95 H LYS 95 7.147 -8.803 -5.378 856 HA LYS 95 HA LYS 95 7.814 -9.682 -8.072 857 HB2 LYS 95 HB3 LYS 95 7.454 -7.293 -7.669 858 HB3 LYS 95 HB2 LYS 95 8.695 -7.295 -6.430 859 HG2 LYS 95 HG3 LYS 95 9.640 -8.244 -9.024 860 HG3 LYS 95 HG2 LYS 95 9.044 -6.585 -9.047 861 HD2 LYS 95 HD3 LYS 95 11.108 -7.667 -7.127 862 HD3 LYS 95 HD2 LYS 95 11.461 -6.715 -8.570 863 HE2 LYS 95 HE3 LYS 95 9.788 -5.780 -6.237 864 HE3 LYS 95 HE2 LYS 95 11.477 -5.365 -6.502 865 HZ1 LYS 95 HZ1 LYS 95 9.691 -3.724 -7.257 866 HZ2 LYS 95 HZ2 LYS 95 9.444 -4.785 -8.556 867 HZ3 LYS 95 HZ3 LYS 95 10.958 -4.073 -8.331 868 H ASP 96 H ASP 96 9.254 -9.229 -4.905 869 HA ASP 96 HA ASP 96 11.058 -11.444 -5.426 870 HB2 ASP 96 HB3 ASP 96 12.998 -10.276 -4.522 871 HB3 ASP 96 HB2 ASP 96 12.379 -9.379 -5.901 872 HA PRO 97 HA PRO 97 9.829 -12.816 -1.476 873 HB2 PRO 97 HB3 PRO 97 12.631 -13.111 -0.572 874 HB3 PRO 97 HB2 PRO 97 11.370 -14.332 -0.753 875 HG2 PRO 97 HG3 PRO 97 13.390 -14.207 -2.477 876 HG3 PRO 97 HG2 PRO 97 11.745 -14.574 -3.028 877 HD2 PRO 97 HD3 PRO 97 13.259 -11.991 -3.175 878 HD3 PRO 97 HD2 PRO 97 12.232 -12.766 -4.399 879 H ASN 98 H ASN 98 11.186 -9.878 -1.668 880 HA ASN 98 HA ASN 98 10.901 -9.398 1.217 881 HB2 ASN 98 HB3 ASN 98 13.245 -9.234 0.759 882 HB3 ASN 98 HB2 ASN 98 12.962 -8.274 -0.684 883 HD21 ASN 98 HD21 ASN 98 13.052 -8.265 2.793 884 HD22 ASN 98 HD22 ASN 98 13.102 -6.545 2.987 885 H THR 99 H THR 99 9.753 -8.741 -1.870 886 HA THR 99 HA THR 99 8.604 -6.175 -0.982 887 HB THR 99 HB THR 99 9.469 -6.731 -3.818 888 HG1 THR 99 HG1 THR 99 11.392 -6.428 -2.946 889 HG21 THR 99 HG21 THR 99 8.667 -4.176 -2.415 890 HG22 THR 99 HG22 THR 99 7.671 -5.081 -3.555 891 HG23 THR 99 HG23 THR 99 9.165 -4.322 -4.101 892 H LEU 100 H LEU 100 6.495 -6.555 -0.721 893 HA LEU 100 HA LEU 100 4.901 -8.158 -2.518 894 HB2 LEU 100 HB3 LEU 100 4.565 -7.183 0.024 895 HB3 LEU 100 HB2 LEU 100 3.621 -6.037 -0.900 896 HG LEU 100 HG LEU 100 3.170 -9.018 -0.768 897 HD11 LEU 100 HD11 LEU 100 2.516 -7.837 1.252 898 HD12 LEU 100 HD12 LEU 100 1.094 -8.382 0.364 899 HD13 LEU 100 HD13 LEU 100 1.579 -6.689 0.296 900 HD21 LEU 100 HD21 LEU 100 1.609 -6.904 -2.245 901 HD22 LEU 100 HD22 LEU 100 1.149 -8.597 -2.070 902 HD23 LEU 100 HD23 LEU 100 2.596 -8.167 -2.980 903 H THR 101 H THR 101 3.492 -7.272 -4.199 904 HA THR 101 HA THR 101 3.885 -4.405 -4.697 905 HB THR 101 HB THR 101 3.699 -4.992 -7.174 906 HG1 THR 101 HG1 THR 101 3.672 -7.492 -6.054 907 HG21 THR 101 HG21 THR 101 5.779 -4.270 -6.057 908 HG22 THR 101 HG22 THR 101 6.071 -5.386 -7.387 909 HG23 THR 101 HG23 THR 101 6.159 -5.955 -5.720 910 H GLU 102 H GLU 102 2.137 -3.256 -5.123 911 HA GLU 102 HA GLU 102 -0.413 -4.670 -5.598 912 HB2 GLU 102 HB3 GLU 102 -0.524 -3.598 -3.452 913 HB3 GLU 102 HB2 GLU 102 0.152 -2.107 -4.095 914 HG2 GLU 102 HG3 GLU 102 -1.851 -1.692 -5.367 915 HG3 GLU 102 HG2 GLU 102 -2.524 -3.243 -4.880 916 H THR 103 H THR 103 -0.897 -4.501 -7.701 917 HA THR 103 HA THR 103 -0.272 -1.978 -9.082 918 HB THR 103 HB THR 103 -0.911 -4.682 -10.290 919 HG1 THR 103 HG1 THR 103 1.168 -4.427 -9.117 920 HG21 THR 103 HG21 THR 103 -1.486 -2.813 -11.758 921 HG22 THR 103 HG22 THR 103 -0.079 -3.679 -12.376 922 HG23 THR 103 HG23 THR 103 0.131 -2.136 -11.547 923 H HIS 104 H HIS 104 -1.969 -0.652 -9.397 924 HA HIS 104 HA HIS 104 -4.601 -1.931 -9.675 925 HB2 HIS 104 HB3 HIS 104 -5.668 -0.103 -8.569 926 HB3 HIS 104 HB2 HIS 104 -4.370 -0.677 -7.541 927 HD1 HIS 104 HD1 HIS 104 -5.424 2.278 -9.599 928 HD2 HIS 104 HD2 HIS 104 -2.355 1.183 -7.017 929 HE1 HIS 104 HE1 HIS 104 -4.287 4.420 -8.965 930 HE2 HIS 104 HE2 HIS 104 -2.444 3.754 -7.385 931 H ILE 105 H ILE 105 -5.681 -1.580 -11.446 932 HA ILE 105 HA ILE 105 -4.972 0.721 -13.145 933 HB ILE 105 HB ILE 105 -5.565 -2.088 -14.095 934 HG12 ILE 105 HG13 ILE 105 -2.983 -0.513 -14.073 935 HG13 ILE 105 HG12 ILE 105 -3.348 -1.919 -13.081 936 HG21 ILE 105 HG21 ILE 105 -6.395 -0.417 -15.650 937 HG22 ILE 105 HG22 ILE 105 -4.979 -1.221 -16.323 938 HG23 ILE 105 HG23 ILE 105 -4.831 0.398 -15.640 939 HD11 ILE 105 HD11 ILE 105 -3.173 -1.904 -16.079 940 HD12 ILE 105 HD12 ILE 105 -3.461 -3.309 -15.049 941 HD13 ILE 105 HD13 ILE 105 -1.913 -2.464 -14.977 942 H LYS 106 H LYS 106 -6.677 1.855 -13.866 943 HA LYS 106 HA LYS 106 -9.243 1.387 -12.845 944 HB2 LYS 106 HB3 LYS 106 -8.124 3.279 -14.853 945 HB3 LYS 106 HB2 LYS 106 -9.871 3.134 -14.703 946 HG2 LYS 106 HG3 LYS 106 -9.696 3.680 -12.314 947 HG3 LYS 106 HG2 LYS 106 -7.951 3.867 -12.499 948 HD2 LYS 106 HD3 LYS 106 -8.212 5.741 -13.920 949 HD3 LYS 106 HD2 LYS 106 -9.934 5.436 -14.124 950 HE2 LYS 106 HE3 LYS 106 -9.528 7.319 -12.624 951 HE3 LYS 106 HE2 LYS 106 -10.331 5.989 -11.793 952 HZ1 LYS 106 HZ1 LYS 106 -7.443 5.920 -11.632 953 HZ2 LYS 106 HZ2 LYS 106 -8.612 5.724 -10.408 954 HZ3 LYS 106 HZ3 LYS 106 -8.152 7.274 -10.900 955 H VAL 107 H VAL 107 -10.670 -0.020 -13.370 956 HA VAL 107 HA VAL 107 -10.732 -1.661 -15.627 957 HB VAL 107 HB VAL 107 -13.000 -2.278 -14.987 958 HG11 VAL 107 HG11 VAL 107 -11.346 -3.350 -13.717 959 HG12 VAL 107 HG12 VAL 107 -12.550 -2.796 -12.547 960 HG13 VAL 107 HG13 VAL 107 -11.042 -1.905 -12.760 961 HG21 VAL 107 HG21 VAL 107 -13.871 -0.041 -14.467 962 HG22 VAL 107 HG22 VAL 107 -12.881 -0.004 -13.008 963 HG23 VAL 107 HG23 VAL 107 -14.181 -1.185 -13.163 964 H ASP 108 H ASP 108 -12.015 1.492 -15.048 965 HA ASP 108 HA ASP 108 -13.745 1.594 -17.335 966 HB2 ASP 108 HB3 ASP 108 -12.627 3.765 -15.551 967 HB3 ASP 108 HB2 ASP 108 -13.759 4.067 -16.862 968 H ASP 109 H ASP 109 -10.749 3.285 -16.541 969 HA ASP 109 HA ASP 109 -9.949 3.125 -19.348 970 HB2 ASP 109 HB3 ASP 109 -10.120 5.591 -17.646 971 HB3 ASP 109 HB2 ASP 109 -8.901 5.481 -18.912 972 HA PRO 110 HA PRO 110 -6.593 1.343 -16.919 973 HB2 PRO 110 HB3 PRO 110 -5.477 0.077 -19.043 974 HB3 PRO 110 HB2 PRO 110 -6.886 -0.550 -18.181 975 HG2 PRO 110 HG3 PRO 110 -6.788 1.047 -20.717 976 HG3 PRO 110 HG2 PRO 110 -7.707 -0.427 -20.353 977 HD2 PRO 110 HD3 PRO 110 -8.856 1.975 -20.265 978 HD3 PRO 110 HD2 PRO 110 -9.287 0.709 -19.101 979 H THR 111 H THR 111 -6.647 3.981 -18.708 980 HA THR 111 HA THR 111 -3.931 4.275 -19.508 981 HB THR 111 HB THR 111 -4.526 6.732 -19.547 982 HG1 THR 111 HG1 THR 111 -6.958 6.973 -19.383 983 HG21 THR 111 HG21 THR 111 -6.158 6.489 -21.408 984 HG22 THR 111 HG22 THR 111 -6.347 4.787 -20.973 985 HG23 THR 111 HG23 THR 111 -4.788 5.387 -21.541 986 H ASP 112 H ASP 112 -5.807 4.857 -16.624 987 HA ASP 112 HA ASP 112 -3.608 5.978 -15.133 988 HB2 ASP 112 HB3 ASP 112 -5.858 6.705 -14.606 989 HB3 ASP 112 HB2 ASP 112 -6.366 5.047 -14.315 990 H VAL 113 H VAL 113 -1.975 4.625 -14.774 991 HA VAL 113 HA VAL 113 -2.541 2.009 -13.595 992 HB VAL 113 HB VAL 113 -0.468 2.852 -15.620 993 HG11 VAL 113 HG11 VAL 113 0.625 0.708 -15.302 994 HG12 VAL 113 HG12 VAL 113 -0.464 0.351 -13.962 995 HG13 VAL 113 HG13 VAL 113 0.670 1.695 -13.842 996 HG21 VAL 113 HG21 VAL 113 -2.437 0.570 -15.564 997 HG22 VAL 113 HG22 VAL 113 -1.284 0.900 -16.853 998 HG23 VAL 113 HG23 VAL 113 -2.582 2.045 -16.516 999 H GLU 114 H GLU 114 -1.577 1.740 -11.599 1000 HA GLU 114 HA GLU 114 0.901 3.148 -11.038 1001 HB2 GLU 114 HB3 GLU 114 -0.717 4.791 -10.365 1002 HB3 GLU 114 HB2 GLU 114 -1.633 3.594 -9.459 1003 HG2 GLU 114 HG3 GLU 114 0.174 3.383 -7.861 1004 HG3 GLU 114 HG2 GLU 114 1.156 4.513 -8.791 1005 H THR 115 H THR 115 2.120 2.215 -9.410 1006 HA THR 115 HA THR 115 1.045 -0.258 -8.242 1007 HB THR 115 HB THR 115 3.805 0.013 -9.454 1008 HG1 THR 115 HG1 THR 115 1.563 -0.300 -10.715 1009 HG21 THR 115 HG21 THR 115 3.686 -1.564 -7.575 1010 HG22 THR 115 HG22 THR 115 3.938 -2.408 -9.103 1011 HG23 THR 115 HG23 THR 115 2.341 -2.396 -8.356 1012 H TYR 116 H TYR 116 1.385 -0.429 -6.156 1013 HA TYR 116 HA TYR 116 3.437 1.244 -4.853 1014 HB2 TYR 116 HB3 TYR 116 1.304 -0.357 -3.441 1015 HB3 TYR 116 HB2 TYR 116 2.233 1.000 -2.826 1016 HD1 TYR 116 HD1 TYR 116 1.836 3.273 -4.081 1017 HD2 TYR 116 HD2 TYR 116 -0.887 0.012 -4.118 1018 HE1 TYR 116 HE1 TYR 116 0.019 4.808 -4.691 1019 HE2 TYR 116 HE2 TYR 116 -2.716 1.541 -4.727 1020 HH TYR 116 HH TYR 116 -3.292 3.846 -4.624 1021 H GLU 117 H GLU 117 4.902 0.070 -3.235 1022 HA GLU 117 HA GLU 117 4.869 -2.816 -3.632 1023 HB2 GLU 117 HB3 GLU 117 7.361 -1.096 -3.658 1024 HB3 GLU 117 HB2 GLU 117 7.288 -2.838 -3.869 1025 HG2 GLU 117 HG3 GLU 117 5.977 -2.445 -5.960 1026 HG3 GLU 117 HG2 GLU 117 6.290 -0.726 -5.761 1027 H TYR 118 H TYR 118 5.066 -3.867 -1.736 1028 HA TYR 118 HA TYR 118 5.616 -2.235 0.653 1029 HB2 TYR 118 HB3 TYR 118 3.961 -4.765 0.426 1030 HB3 TYR 118 HB2 TYR 118 4.212 -3.823 1.890 1031 HD1 TYR 118 HD1 TYR 118 3.422 -1.327 1.814 1032 HD2 TYR 118 HD2 TYR 118 2.143 -4.301 -0.930 1033 HE1 TYR 118 HE1 TYR 118 1.477 0.032 1.265 1034 HE2 TYR 118 HE2 TYR 118 0.184 -2.942 -1.492 1035 HH TYR 118 HH TYR 118 -0.242 0.261 -0.019 1036 H ARG 119 H ARG 119 7.759 -2.528 0.988 1037 HA ARG 119 HA ARG 119 8.651 -5.314 1.326 1038 HB2 ARG 119 HB3 ARG 119 10.969 -4.439 0.896 1039 HB3 ARG 119 HB2 ARG 119 9.885 -4.439 -0.485 1040 HG2 ARG 119 HG3 ARG 119 9.523 -2.067 -0.241 1041 HG3 ARG 119 HG2 ARG 119 10.525 -2.042 1.212 1042 HD2 ARG 119 HD3 ARG 119 11.682 -1.281 -0.853 1043 HD3 ARG 119 HD2 ARG 119 12.471 -2.621 -0.033 1044 HE ARG 119 HE ARG 119 11.034 -3.948 -1.815 1045 HH11 ARG 119 HH11 ARG 119 12.972 -1.055 -2.225 1046 HH12 ARG 119 HH12 ARG 119 13.344 -1.396 -3.884 1047 HH21 ARG 119 HH21 ARG 119 11.531 -4.393 -3.978 1048 HH22 ARG 119 HH22 ARG 119 12.512 -3.287 -4.890 1049 H ARG 120 H ARG 120 10.522 -5.531 2.866 1050 HA ARG 120 HA ARG 120 10.141 -3.727 5.163 1051 HB2 ARG 120 HB3 ARG 120 10.510 -6.725 5.143 1052 HB3 ARG 120 HB2 ARG 120 10.699 -5.746 6.589 1053 HG2 ARG 120 HG3 ARG 120 8.178 -5.772 4.962 1054 HG3 ARG 120 HG2 ARG 120 8.477 -6.892 6.290 1055 HD2 ARG 120 HD3 ARG 120 8.503 -3.883 6.516 1056 HD3 ARG 120 HD2 ARG 120 7.151 -4.918 6.966 1057 HE ARG 120 HE ARG 120 9.797 -5.064 8.279 1058 HH11 ARG 120 HH11 ARG 120 6.297 -5.054 8.438 1059 HH12 ARG 120 HH12 ARG 120 6.251 -5.262 10.158 1060 HH21 ARG 120 HH21 ARG 120 9.729 -5.346 10.548 1061 HH22 ARG 120 HH22 ARG 120 8.190 -5.430 11.353 1062 H ASP 121 H ASP 121 11.906 -2.609 5.571 1063 HA ASP 121 HA ASP 121 14.526 -3.780 4.950 1064 HB2 ASP 121 HB3 ASP 121 14.004 -1.504 4.061 1065 HB3 ASP 121 HB2 ASP 121 13.860 -0.928 5.718 1066 H GLY 122 H GLY 122 12.384 -3.314 7.446 1067 HA2 GLY 122 HA3 GLY 122 14.023 -4.442 9.421 1068 HA3 GLY 122 HA2 GLY 122 14.009 -2.697 9.643 1069 H ASP 123 H ASP 123 12.711 -2.306 11.324 1070 HA ASP 123 HA ASP 123 10.265 -3.841 11.680 1071 HB2 ASP 123 HB3 ASP 123 11.690 -1.783 13.342 1072 HB3 ASP 123 HB2 ASP 123 10.037 -2.262 13.714 1073 H TYR 124 H TYR 124 10.632 -1.947 9.429 1074 HA TYR 124 HA TYR 124 8.272 -0.286 9.927 1075 HB2 TYR 124 HB3 TYR 124 10.769 0.491 8.392 1076 HB3 TYR 124 HB2 TYR 124 9.279 1.431 8.418 1077 HD1 TYR 124 HD1 TYR 124 12.063 0.203 10.509 1078 HD2 TYR 124 HD2 TYR 124 8.797 2.892 10.197 1079 HE1 TYR 124 HE1 TYR 124 12.878 1.391 12.503 1080 HE2 TYR 124 HE2 TYR 124 9.579 4.094 12.180 1081 HH TYR 124 HH TYR 124 12.657 3.675 13.505 1082 H LEU 125 H LEU 125 6.749 -0.405 8.355 1083 HA LEU 125 HA LEU 125 7.152 -2.185 6.158 1084 HB2 LEU 125 HB3 LEU 125 4.968 -1.881 7.346 1085 HB3 LEU 125 HB2 LEU 125 4.897 -0.242 6.748 1086 HG LEU 125 HG LEU 125 3.509 -2.152 5.617 1087 HD11 LEU 125 HD11 LEU 125 3.376 -0.915 3.613 1088 HD12 LEU 125 HD12 LEU 125 5.017 -0.293 3.797 1089 HD13 LEU 125 HD13 LEU 125 3.741 0.252 4.883 1090 HD21 LEU 125 HD21 LEU 125 6.148 -2.443 4.197 1091 HD22 LEU 125 HD22 LEU 125 4.621 -3.189 3.728 1092 HD23 LEU 125 HD23 LEU 125 5.397 -3.649 5.243 1093 H VAL 126 H VAL 126 8.483 -1.512 4.583 1094 HA VAL 126 HA VAL 126 8.709 1.377 4.158 1095 HB VAL 126 HB VAL 126 10.590 -0.712 3.062 1096 HG11 VAL 126 HG11 VAL 126 12.083 1.240 2.794 1097 HG12 VAL 126 HG12 VAL 126 10.788 2.288 3.378 1098 HG13 VAL 126 HG13 VAL 126 10.592 1.401 1.868 1099 HG21 VAL 126 HG21 VAL 126 10.880 0.944 5.573 1100 HG22 VAL 126 HG22 VAL 126 12.119 -0.100 4.876 1101 HG23 VAL 126 HG23 VAL 126 10.630 -0.800 5.507 1102 H MET 127 H MET 127 7.373 2.035 2.737 1103 HA MET 127 HA MET 127 6.472 0.224 0.639 1104 HB2 MET 127 HB3 MET 127 4.822 1.268 2.121 1105 HB3 MET 127 HB2 MET 127 5.378 2.855 1.625 1106 HG2 MET 127 HG3 MET 127 4.604 2.474 -0.613 1107 HG3 MET 127 HG2 MET 127 4.156 0.817 -0.205 1108 HE1 MET 127 HE1 MET 127 0.772 2.696 -0.705 1109 HE2 MET 127 HE2 MET 127 1.615 1.186 -1.039 1110 HE3 MET 127 HE3 MET 127 2.294 2.715 -1.602 1111 H LYS 128 H LYS 128 6.620 0.743 -1.531 1112 HA LYS 128 HA LYS 128 8.283 3.088 -2.138 1113 HB2 LYS 128 HB3 LYS 128 9.750 1.181 -2.237 1114 HB3 LYS 128 HB2 LYS 128 8.594 0.279 -3.206 1115 HG2 LYS 128 HG3 LYS 128 8.883 1.922 -5.021 1116 HG3 LYS 128 HG2 LYS 128 10.114 2.734 -4.051 1117 HD2 LYS 128 HD3 LYS 128 11.541 0.826 -4.135 1118 HD3 LYS 128 HD2 LYS 128 10.266 -0.168 -4.844 1119 HE2 LYS 128 HE3 LYS 128 11.597 2.210 -6.139 1120 HE3 LYS 128 HE2 LYS 128 11.880 0.515 -6.534 1121 HZ1 LYS 128 HZ1 LYS 128 10.370 1.364 -8.121 1122 HZ2 LYS 128 HZ2 LYS 128 9.389 2.059 -6.943 1123 HZ3 LYS 128 HZ3 LYS 128 9.464 0.372 -7.086 1124 H MET 129 H MET 129 7.700 4.240 -3.863 1125 HA MET 129 HA MET 129 5.640 3.187 -5.678 1126 HB2 MET 129 HB3 MET 129 5.556 5.969 -4.490 1127 HB3 MET 129 HB2 MET 129 4.328 5.199 -5.484 1128 HG2 MET 129 HG3 MET 129 3.671 3.763 -3.743 1129 HG3 MET 129 HG2 MET 129 5.108 4.125 -2.794 1130 HE1 MET 129 HE1 MET 129 2.817 6.677 -4.727 1131 HE2 MET 129 HE2 MET 129 1.647 7.092 -3.473 1132 HE3 MET 129 HE3 MET 129 1.695 5.455 -4.132 1133 H SER 130 H SER 130 6.139 3.680 -7.804 1134 HA SER 130 HA SER 130 8.002 5.873 -8.280 1135 HB2 SER 130 HB3 SER 130 9.301 4.293 -9.830 1136 HB3 SER 130 HB2 SER 130 9.555 4.129 -8.093 1137 HG SER 130 HG SER 130 7.872 2.524 -9.727 1138 H TRP 131 H TRP 131 7.570 7.004 -10.013 1139 HA TRP 131 HA TRP 131 6.244 5.777 -12.303 1140 HB2 TRP 131 HB3 TRP 131 4.468 6.721 -10.736 1141 HB3 TRP 131 HB2 TRP 131 5.129 8.313 -11.102 1142 HD1 TRP 131 HD1 TRP 131 4.185 9.483 -13.196 1143 HE1 TRP 131 HE1 TRP 131 2.680 8.772 -15.162 1144 HE3 TRP 131 HE3 TRP 131 3.933 4.475 -12.243 1145 HZ2 TRP 131 HZ2 TRP 131 1.546 6.391 -16.176 1146 HZ3 TRP 131 HZ3 TRP 131 2.615 3.050 -13.749 1147 HH2 TRP 131 HH2 TRP 131 1.451 3.988 -15.679 1148 H LYS 132 H LYS 132 6.935 6.572 -14.173 1149 HA LYS 132 HA LYS 132 8.323 7.591 -15.616 1150 HB2 LYS 132 HB3 LYS 132 7.427 9.987 -14.022 1151 HB3 LYS 132 HB2 LYS 132 8.335 10.099 -15.524 1152 HG2 LYS 132 HG3 LYS 132 6.526 8.908 -16.684 1153 HG3 LYS 132 HG2 LYS 132 5.611 8.864 -15.177 1154 HD2 LYS 132 HD3 LYS 132 5.496 11.274 -15.128 1155 HD3 LYS 132 HD2 LYS 132 6.535 11.386 -16.551 1156 HE2 LYS 132 HE3 LYS 132 3.795 10.125 -16.451 1157 HE3 LYS 132 HE2 LYS 132 4.179 11.708 -17.127 1158 HZ1 LYS 132 HZ1 LYS 132 4.016 10.021 -18.845 1159 HZ2 LYS 132 HZ2 LYS 132 5.235 9.112 -18.111 1160 HZ3 LYS 132 HZ3 LYS 132 5.589 10.632 -18.762 1161 H GLY 133 H GLY 133 9.632 6.412 -13.461 1162 HA2 GLY 133 HA3 GLY 133 11.881 6.258 -12.890 1163 HA3 GLY 133 HA2 GLY 133 12.133 7.865 -13.550 1164 H VAL 134 H VAL 134 9.882 8.924 -11.887 1165 HA VAL 134 HA VAL 134 11.520 9.642 -9.638 1166 HB VAL 134 HB VAL 134 8.612 10.352 -10.049 1167 HG11 VAL 134 HG11 VAL 134 10.830 11.741 -8.539 1168 HG12 VAL 134 HG12 VAL 134 9.503 10.828 -7.823 1169 HG13 VAL 134 HG13 VAL 134 9.171 12.324 -8.698 1170 HG21 VAL 134 HG21 VAL 134 9.846 10.946 -12.061 1171 HG22 VAL 134 HG22 VAL 134 11.047 11.795 -11.088 1172 HG23 VAL 134 HG23 VAL 134 9.390 12.392 -11.160 1173 H SER 135 H SER 135 11.755 8.229 -8.032 1174 HA SER 135 HA SER 135 9.397 6.702 -7.188 1175 HB2 SER 135 HB3 SER 135 11.304 5.324 -7.906 1176 HB3 SER 135 HB2 SER 135 12.304 6.067 -6.666 1177 HG SER 135 HG SER 135 11.386 4.865 -5.196 1178 H THR 136 H THR 136 9.180 6.273 -4.985 1179 HA THR 136 HA THR 136 10.393 8.194 -3.143 1180 HB THR 136 HB THR 136 8.392 9.341 -3.818 1181 HG1 THR 136 HG1 THR 136 8.907 9.227 -1.522 1182 HG21 THR 136 HG21 THR 136 6.841 6.865 -3.065 1183 HG22 THR 136 HG22 THR 136 7.190 7.378 -4.717 1184 HG23 THR 136 HG23 THR 136 6.176 8.381 -3.677 1185 H SER 137 H SER 137 10.638 7.446 -1.087 1186 HA SER 137 HA SER 137 9.682 4.728 -0.557 1187 HB2 SER 137 HB3 SER 137 11.588 6.064 1.304 1188 HB3 SER 137 HB2 SER 137 11.523 4.390 0.768 1189 HG SER 137 HG SER 137 12.998 6.437 -0.219 1190 H ARG 138 H ARG 138 7.704 4.895 0.239 1191 HA ARG 138 HA ARG 138 6.944 7.028 2.057 1192 HB2 ARG 138 HB3 ARG 138 5.531 6.032 0.144 1193 HB3 ARG 138 HB2 ARG 138 5.285 4.658 1.202 1194 HG2 ARG 138 HG3 ARG 138 3.389 6.011 1.436 1195 HG3 ARG 138 HG2 ARG 138 4.350 6.274 2.892 1196 HD2 ARG 138 HD3 ARG 138 5.067 8.387 2.162 1197 HD3 ARG 138 HD2 ARG 138 4.558 8.078 0.501 1198 HE ARG 138 HE ARG 138 2.234 7.922 1.823 1199 HH11 ARG 138 HH11 ARG 138 4.784 10.311 1.933 1200 HH12 ARG 138 HH12 ARG 138 3.718 11.634 2.277 1201 HH21 ARG 138 HH21 ARG 138 0.815 9.663 2.263 1202 HH22 ARG 138 HH22 ARG 138 1.457 11.260 2.474 1203 H TYR 139 H TYR 139 7.675 6.763 4.103 1204 HA TYR 139 HA TYR 139 8.248 4.092 5.074 1205 HB2 TYR 139 HB3 TYR 139 8.787 6.810 6.277 1206 HB3 TYR 139 HB2 TYR 139 9.260 5.285 7.021 1207 HD1 TYR 139 HD1 TYR 139 10.122 7.821 4.636 1208 HD2 TYR 139 HD2 TYR 139 10.888 3.795 5.775 1209 HE1 TYR 139 HE1 TYR 139 12.222 7.863 3.361 1210 HE2 TYR 139 HE2 TYR 139 12.990 3.827 4.500 1211 HH TYR 139 HH TYR 139 14.392 6.677 3.356 1212 H TYR 140 H TYR 140 6.627 2.984 5.892 1213 HA TYR 140 HA TYR 140 4.828 4.324 7.790 1214 HB2 TYR 140 HB3 TYR 140 4.556 1.739 6.251 1215 HB3 TYR 140 HB2 TYR 140 3.466 2.194 7.558 1216 HD1 TYR 140 HD1 TYR 140 1.846 3.944 7.273 1217 HD2 TYR 140 HD2 TYR 140 4.539 2.958 4.129 1218 HE1 TYR 140 HE1 TYR 140 0.490 5.265 5.711 1219 HE2 TYR 140 HE2 TYR 140 3.180 4.274 2.556 1220 HH TYR 140 HH TYR 140 1.077 5.252 2.265 1221 H LYS 141 H LYS 141 5.013 3.901 9.894 1222 HA LYS 141 HA LYS 141 6.776 1.686 10.676 1223 HB2 LYS 141 HB3 LYS 141 7.364 2.915 12.613 1224 HB3 LYS 141 HB2 LYS 141 7.509 4.014 11.262 1225 HG2 LYS 141 HG3 LYS 141 6.385 5.430 12.559 1226 HG3 LYS 141 HG2 LYS 141 4.965 4.504 12.066 1227 HD2 LYS 141 HD3 LYS 141 5.115 4.841 14.506 1228 HD3 LYS 141 HD2 LYS 141 5.114 3.142 14.050 1229 HE2 LYS 141 HE3 LYS 141 7.496 3.022 14.349 1230 HE3 LYS 141 HE2 LYS 141 7.583 4.755 14.654 1231 HZ1 LYS 141 HZ1 LYS 141 6.244 4.412 16.645 1232 HZ2 LYS 141 HZ2 LYS 141 7.670 3.504 16.705 1233 HZ3 LYS 141 HZ3 LYS 141 6.200 2.749 16.348 1234 H LYS 142 H LYS 142 6.088 0.516 12.620 1235 HA LYS 142 HA LYS 142 3.588 -0.526 12.520 1236 HB2 LYS 142 HB3 LYS 142 5.633 -1.237 13.879 1237 HB3 LYS 142 HB2 LYS 142 5.027 -0.177 15.139 1238 HG2 LYS 142 HG3 LYS 142 3.008 -1.482 15.328 1239 HG3 LYS 142 HG2 LYS 142 3.506 -2.497 13.971 1240 HD2 LYS 142 HD3 LYS 142 5.496 -3.191 15.272 1241 HD3 LYS 142 HD2 LYS 142 4.897 -2.248 16.637 1242 HE2 LYS 142 HE3 LYS 142 2.897 -3.637 16.733 1243 HE3 LYS 142 HE2 LYS 142 3.455 -4.556 15.336 1244 HZ1 LYS 142 HZ1 LYS 142 4.822 -4.406 17.970 1245 HZ2 LYS 142 HZ2 LYS 142 5.373 -5.276 16.629 1246 HZ3 LYS 142 HZ3 LYS 142 3.929 -5.721 17.392 1247 H GLN 143 H GLN 143 1.553 -0.237 13.693 1248 HA GLN 143 HA GLN 143 1.281 2.175 15.247 1249 HB2 GLN 143 HB3 GLN 143 -0.514 0.083 14.196 1250 HB3 GLN 143 HB2 GLN 143 -0.991 0.755 15.750 1251 HG2 GLN 143 HG3 GLN 143 -0.357 2.435 13.343 1252 HG3 GLN 143 HG2 GLN 143 -1.979 1.868 13.739 1253 HE21 GLN 143 HE21 GLN 143 0.656 3.923 14.725 1254 HE22 GLN 143 HE22 GLN 143 -0.258 4.901 15.820 1255 H21 OLA1001 H21 OLA1001 -0.898 5.965 -1.658 1256 H22 OLA1001 H22 OLA1001 0.846 5.959 -1.910 1257 H31 OLA1001 H31 OLA1001 -0.097 8.226 -1.652 1258 H32 OLA1001 H32 OLA1001 1.122 7.837 -0.441 1259 H41 OLA1001 H41 OLA1001 -0.871 9.020 0.465 1260 H42 OLA1001 H42 OLA1001 -0.546 7.463 1.226 1261 H51 OLA1001 H51 OLA1001 -2.277 6.409 -0.088 1262 H52 OLA1001 H52 OLA1001 -2.555 7.908 -0.977 1263 H61 OLA1001 H61 OLA1001 -2.846 7.742 2.007 1264 H62 OLA1001 H62 OLA1001 -4.171 7.355 0.909 1265 H71 OLA1001 H71 OLA1001 -2.684 9.968 0.806 1266 H72 OLA1001 H72 OLA1001 -4.127 9.722 1.793 1267 H81 OLA1001 H81 OLA1001 -5.379 9.079 -0.200 1268 H82 OLA1001 H82 OLA1001 -3.938 9.307 -1.183 1269 H9 OLA1001 H9 OLA1001 -4.265 11.810 -0.026 1270 H10 OLA1001 H10 OLA1001 -6.020 12.505 -1.482 1271 H111 OLA1001 H111 OLA1001 -7.574 10.352 -1.570 1272 H112 OLA1001 H112 OLA1001 -6.159 9.580 -2.258 1273 H121 OLA1001 H121 OLA1001 -7.469 12.017 -3.425 1274 H122 OLA1001 H122 OLA1001 -7.839 10.365 -3.914 1275 H131 OLA1001 H131 OLA1001 -5.016 11.365 -3.951 1276 H132 OLA1001 H132 OLA1001 -6.112 11.729 -5.284 1277 H141 OLA1001 H141 OLA1001 -5.266 9.800 -6.108 1278 H142 OLA1001 H142 OLA1001 -6.539 9.104 -5.114 1279 H151 OLA1001 H151 OLA1001 -4.468 7.889 -4.799 1280 H152 OLA1001 H152 OLA1001 -4.924 8.709 -3.311 1281 H161 OLA1001 H161 OLA1001 -3.198 10.233 -3.452 1282 H162 OLA1001 H162 OLA1001 -3.082 10.084 -5.210 1283 H171 OLA1001 H171 OLA1001 -2.095 7.874 -4.976 1284 H172 OLA1001 H172 OLA1001 -2.265 7.968 -3.223 1285 H181 OLA1001 H181 OLA1001 0.019 8.416 -3.890 1286 H182 OLA1001 H182 OLA1001 -0.721 9.851 -3.177 1287 H183 OLA1001 H183 OLA1001 -0.522 9.740 -4.932 Start of MODEL 6 1 H1 MET -11 H1 MET -11 20.527 -36.294 -0.736 2 H2 MET -11 H2 MET -11 21.059 -37.167 0.606 3 H3 MET -11 H3 MET -11 21.814 -37.379 -0.889 4 HA MET -11 HA MET -11 21.806 -34.875 0.677 5 HB2 MET -11 HB3 MET -11 23.964 -36.953 0.274 6 HB3 MET -11 HB2 MET -11 24.246 -35.363 0.967 7 HG2 MET -11 HG3 MET -11 22.729 -35.890 2.803 8 HG3 MET -11 HG2 MET -11 22.436 -37.481 2.108 9 HE1 MET -11 HE1 MET -11 25.335 -38.317 1.073 10 HE2 MET -11 HE2 MET -11 24.251 -39.393 1.954 11 HE3 MET -11 HE3 MET -11 25.927 -39.206 2.477 12 H ARG -10 H ARG -10 21.074 -35.313 -2.125 13 HA ARG -10 HA ARG -10 23.301 -33.894 -3.425 14 HB2 ARG -10 HB3 ARG -10 21.074 -35.479 -4.732 15 HB3 ARG -10 HB2 ARG -10 22.397 -34.674 -5.567 16 HG2 ARG -10 HG3 ARG -10 22.671 -36.971 -3.643 17 HG3 ARG -10 HG2 ARG -10 22.767 -37.073 -5.401 18 HD2 ARG -10 HD3 ARG -10 24.754 -35.746 -5.440 19 HD3 ARG -10 HD2 ARG -10 24.598 -35.372 -3.724 20 HE ARG -10 HE ARG -10 24.796 -38.181 -4.232 21 HH11 ARG -10 HH11 ARG -10 26.680 -35.247 -3.926 22 HH12 ARG -10 HH12 ARG -10 28.088 -36.066 -3.329 23 HH21 ARG -10 HH21 ARG -10 26.651 -39.255 -3.455 24 HH22 ARG -10 HH22 ARG -10 28.071 -38.340 -3.060 25 H GLY -9 H GLY -9 22.608 -31.914 -2.543 26 HA2 GLY -9 HA3 GLY -9 21.651 -29.849 -3.206 27 HA3 GLY -9 HA2 GLY -9 20.372 -30.738 -4.022 28 H SER -8 H SER -8 20.890 -28.739 -1.554 29 HA SER -8 HA SER -8 19.351 -30.036 0.496 30 HB2 SER -8 HB3 SER -8 19.500 -27.648 1.499 31 HB3 SER -8 HB2 SER -8 20.989 -28.580 1.335 32 HG SER -8 HG SER -8 20.100 -26.347 -0.102 33 H HIS -7 H HIS -7 17.386 -30.492 -0.554 34 HA HIS -7 HA HIS -7 15.836 -28.368 -1.739 35 HB2 HIS -7 HB3 HIS -7 15.288 -31.280 -1.194 36 HB3 HIS -7 HB2 HIS -7 14.025 -30.196 -1.764 37 HD1 HIS -7 HD1 HIS -7 13.784 -30.086 -4.220 38 HD2 HIS -7 HD2 HIS -7 17.598 -31.301 -3.085 39 HE1 HIS -7 HE1 HIS -7 14.989 -30.623 -6.361 40 HE2 HIS -7 HE2 HIS -7 17.328 -31.245 -5.657 41 H HIS -6 H HIS -6 15.938 -27.028 0.237 42 HA HIS -6 HA HIS -6 14.275 -27.815 2.457 43 HB2 HIS -6 HB3 HIS -6 16.223 -26.209 2.634 44 HB3 HIS -6 HB2 HIS -6 15.242 -25.029 1.773 45 HD1 HIS -6 HD1 HIS -6 15.758 -26.547 5.106 46 HD2 HIS -6 HD2 HIS -6 13.018 -24.025 3.262 47 HE1 HIS -6 HE1 HIS -6 14.431 -25.513 6.972 48 HE2 HIS -6 HE2 HIS -6 12.858 -23.906 5.841 49 H HIS -5 H HIS -5 13.981 -25.972 -0.484 50 HA HIS -5 HA HIS -5 11.217 -25.249 0.068 51 HB2 HIS -5 HB3 HIS -5 12.926 -24.822 -2.385 52 HB3 HIS -5 HB2 HIS -5 11.278 -24.243 -2.183 53 HD1 HIS -5 HD1 HIS -5 14.795 -23.534 -1.153 54 HD2 HIS -5 HD2 HIS -5 10.976 -22.038 -0.485 55 HE1 HIS -5 HE1 HIS -5 15.127 -21.285 -0.080 56 HE2 HIS -5 HE2 HIS -5 12.810 -20.320 0.119 57 H HIS -4 H HIS -4 9.783 -26.837 -0.097 58 HA HIS -4 HA HIS -4 10.237 -29.007 -1.994 59 HB2 HIS -4 HB3 HIS -4 8.086 -28.691 0.111 60 HB3 HIS -4 HB2 HIS -4 8.386 -30.135 -0.847 61 HD1 HIS -4 HD1 HIS -4 8.950 -28.940 2.396 62 HD2 HIS -4 HD2 HIS -4 11.322 -30.936 -0.371 63 HE1 HIS -4 HE1 HIS -4 10.829 -29.956 3.723 64 HE2 HIS -4 HE2 HIS -4 12.142 -31.306 2.052 65 H HIS -3 H HIS -3 7.516 -26.922 -1.037 66 HA HIS -3 HA HIS -3 6.830 -26.324 -3.735 67 HB2 HIS -3 HB3 HIS -3 4.592 -27.417 -3.726 68 HB3 HIS -3 HB2 HIS -3 5.919 -28.568 -3.757 69 HD1 HIS -3 HD1 HIS -3 5.834 -30.379 -2.060 70 HD2 HIS -3 HD2 HIS -3 3.397 -27.172 -1.033 71 HE1 HIS -3 HE1 HIS -3 4.587 -31.105 -0.003 72 HE2 HIS -3 HE2 HIS -3 3.167 -29.126 0.640 73 H HIS -2 H HIS -2 5.318 -24.688 -3.879 74 HA HIS -2 HA HIS -2 3.779 -23.917 -1.571 75 HB2 HIS -2 HB3 HIS -2 4.642 -21.635 -1.390 76 HB3 HIS -2 HB2 HIS -2 5.924 -22.800 -1.079 77 HD1 HIS -2 HD1 HIS -2 4.960 -20.007 -3.268 78 HD2 HIS -2 HD2 HIS -2 7.882 -22.960 -3.178 79 HE1 HIS -2 HE1 HIS -2 6.709 -19.280 -4.925 80 HE2 HIS -2 HE2 HIS -2 8.551 -20.984 -4.708 81 H GLY -1 H GLY -1 4.709 -23.501 -4.908 82 HA2 GLY -1 HA3 GLY -1 3.496 -22.837 -6.741 83 HA3 GLY -1 HA2 GLY -1 2.055 -22.910 -5.732 84 H SER 0 H SER 0 1.254 -21.078 -4.835 85 HA SER 0 HA SER 0 2.189 -18.537 -5.734 86 HB2 SER 0 HB3 SER 0 0.209 -19.199 -3.535 87 HB3 SER 0 HB2 SER 0 0.390 -17.642 -4.339 88 HG SER 0 HG SER 0 -1.107 -18.425 -5.603 89 H LYS 1 H LYS 1 3.195 -16.917 -4.440 90 HA LYS 1 HA LYS 1 4.850 -18.011 -2.318 91 HB2 LYS 1 HB3 LYS 1 4.765 -15.131 -3.207 92 HB3 LYS 1 HB2 LYS 1 6.079 -15.974 -2.404 93 HG2 LYS 1 HG3 LYS 1 6.417 -17.329 -4.422 94 HG3 LYS 1 HG2 LYS 1 5.129 -16.429 -5.223 95 HD2 LYS 1 HD3 LYS 1 6.504 -14.343 -4.649 96 HD3 LYS 1 HD2 LYS 1 7.827 -15.462 -4.329 97 HE2 LYS 1 HE3 LYS 1 8.011 -14.664 -6.587 98 HE3 LYS 1 HE2 LYS 1 7.543 -16.363 -6.622 99 HZ1 LYS 1 HZ1 LYS 1 5.752 -14.028 -7.018 100 HZ2 LYS 1 HZ2 LYS 1 5.227 -15.633 -6.934 101 HZ3 LYS 1 HZ3 LYS 1 6.233 -15.142 -8.199 102 H THR 2 H THR 2 3.809 -18.267 -0.442 103 HA THR 2 HA THR 2 1.492 -16.913 0.367 104 HB THR 2 HB THR 2 3.514 -18.209 2.204 105 HG1 THR 2 HG1 THR 2 1.935 -20.057 1.789 106 HG21 THR 2 HG21 THR 2 1.714 -16.982 3.333 107 HG22 THR 2 HG22 THR 2 1.549 -18.720 3.577 108 HG23 THR 2 HG23 THR 2 0.516 -17.891 2.413 109 H LEU 3 H LEU 3 1.162 -15.197 1.812 110 HA LEU 3 HA LEU 3 2.920 -13.046 1.486 111 HB2 LEU 3 HB3 LEU 3 0.328 -13.406 2.398 112 HB3 LEU 3 HB2 LEU 3 1.184 -12.793 3.798 113 HG LEU 3 HG LEU 3 0.607 -11.445 1.196 114 HD11 LEU 3 HD11 LEU 3 -0.016 -9.627 2.662 115 HD12 LEU 3 HD12 LEU 3 0.547 -10.544 4.057 116 HD13 LEU 3 HD13 LEU 3 -0.843 -11.113 3.131 117 HD21 LEU 3 HD21 LEU 3 2.948 -11.136 1.283 118 HD22 LEU 3 HD22 LEU 3 2.912 -10.829 3.020 119 HD23 LEU 3 HD23 LEU 3 2.217 -9.658 1.899 120 HA PRO 4 HA PRO 4 5.920 -14.023 4.720 121 HB2 PRO 4 HB3 PRO 4 6.672 -11.228 4.041 122 HB3 PRO 4 HB2 PRO 4 7.687 -12.671 4.143 123 HG2 PRO 4 HG3 PRO 4 7.022 -11.634 1.780 124 HG3 PRO 4 HG2 PRO 4 7.110 -13.389 2.017 125 HD2 PRO 4 HD3 PRO 4 4.702 -11.614 1.865 126 HD3 PRO 4 HD2 PRO 4 4.943 -13.257 1.231 127 H ASP 5 H ASP 5 5.360 -13.859 6.762 128 HA ASP 5 HA ASP 5 3.373 -12.248 7.806 129 HB2 ASP 5 HB3 ASP 5 4.201 -14.330 8.842 130 HB3 ASP 5 HB2 ASP 5 5.686 -13.505 9.293 131 H LYS 6 H LYS 6 6.739 -11.520 7.336 132 HA LYS 6 HA LYS 6 7.055 -9.412 9.128 133 HB2 LYS 6 HB3 LYS 6 8.913 -8.696 7.733 134 HB3 LYS 6 HB2 LYS 6 8.916 -10.442 7.916 135 HG2 LYS 6 HG3 LYS 6 7.998 -10.718 5.704 136 HG3 LYS 6 HG2 LYS 6 7.846 -8.972 5.518 137 HD2 LYS 6 HD3 LYS 6 9.804 -9.415 4.370 138 HD3 LYS 6 HD2 LYS 6 10.406 -8.960 5.963 139 HE2 LYS 6 HE3 LYS 6 9.972 -11.803 5.050 140 HE3 LYS 6 HE2 LYS 6 11.515 -10.962 4.964 141 HZ1 LYS 6 HZ1 LYS 6 11.484 -12.286 6.919 142 HZ2 LYS 6 HZ2 LYS 6 9.998 -11.665 7.414 143 HZ3 LYS 6 HZ3 LYS 6 11.367 -10.674 7.411 144 H PHE 7 H PHE 7 5.041 -9.512 6.349 145 HA PHE 7 HA PHE 7 5.068 -6.596 6.089 146 HB2 PHE 7 HB3 PHE 7 3.612 -8.704 4.481 147 HB3 PHE 7 HB2 PHE 7 3.528 -6.975 4.175 148 HD1 PHE 7 HD1 PHE 7 6.392 -6.253 4.574 149 HD2 PHE 7 HD2 PHE 7 4.579 -9.523 2.540 150 HE1 PHE 7 HE1 PHE 7 8.346 -6.418 3.098 151 HE2 PHE 7 HE2 PHE 7 6.538 -9.691 1.067 152 HZ PHE 7 HZ PHE 7 8.422 -8.139 1.347 153 H LEU 8 H LEU 8 3.603 -8.726 8.096 154 HA LEU 8 HA LEU 8 0.885 -7.757 7.692 155 HB2 LEU 8 HB3 LEU 8 1.970 -9.961 9.436 156 HB3 LEU 8 HB2 LEU 8 0.273 -9.536 9.301 157 HG LEU 8 HG LEU 8 1.996 -10.525 7.029 158 HD11 LEU 8 HD11 LEU 8 1.540 -12.234 8.738 159 HD12 LEU 8 HD12 LEU 8 0.765 -12.581 7.192 160 HD13 LEU 8 HD13 LEU 8 -0.188 -11.944 8.534 161 HD21 LEU 8 HD21 LEU 8 -0.924 -9.819 7.215 162 HD22 LEU 8 HD22 LEU 8 -0.231 -10.774 5.905 163 HD23 LEU 8 HD23 LEU 8 0.299 -9.113 6.159 164 H GLY 9 H GLY 9 -0.362 -6.896 9.316 165 HA2 GLY 9 HA3 GLY 9 -0.406 -6.300 11.765 166 HA3 GLY 9 HA2 GLY 9 1.178 -5.593 11.468 167 H THR 10 H THR 10 -0.749 -4.020 12.516 168 HA THR 10 HA THR 10 -1.699 -2.366 10.296 169 HB THR 10 HB THR 10 -2.273 -2.149 13.260 170 HG1 THR 10 HG1 THR 10 -3.779 -3.587 12.904 171 HG21 THR 10 HG21 THR 10 -3.588 -0.803 10.902 172 HG22 THR 10 HG22 THR 10 -2.501 -0.031 12.048 173 HG23 THR 10 HG23 THR 10 -4.063 -0.638 12.590 174 H PHE 11 H PHE 11 -0.579 -0.597 9.745 175 HA PHE 11 HA PHE 11 1.564 0.290 11.570 176 HB2 PHE 11 HB3 PHE 11 1.525 0.468 8.552 177 HB3 PHE 11 HB2 PHE 11 2.879 0.837 9.611 178 HD1 PHE 11 HD1 PHE 11 3.884 -1.068 10.961 179 HD2 PHE 11 HD2 PHE 11 1.234 -1.676 7.686 180 HE1 PHE 11 HE1 PHE 11 4.688 -3.378 10.741 181 HE2 PHE 11 HE2 PHE 11 2.028 -3.993 7.468 182 HZ PHE 11 HZ PHE 11 3.759 -4.849 8.997 183 H LYS 12 H LYS 12 1.649 2.432 12.155 184 HA LYS 12 HA LYS 12 -0.105 4.323 10.810 185 HB2 LYS 12 HB3 LYS 12 0.753 5.951 12.366 186 HB3 LYS 12 HB2 LYS 12 0.364 4.482 13.246 187 HG2 LYS 12 HG3 LYS 12 2.731 3.865 13.250 188 HG3 LYS 12 HG2 LYS 12 3.104 5.362 12.391 189 HD2 LYS 12 HD3 LYS 12 1.755 5.227 15.079 190 HD3 LYS 12 HD2 LYS 12 3.480 5.502 14.848 191 HE2 LYS 12 HE3 LYS 12 1.310 7.257 13.706 192 HE3 LYS 12 HE2 LYS 12 2.140 7.577 15.226 193 HZ1 LYS 12 HZ1 LYS 12 3.371 7.480 12.526 194 HZ2 LYS 12 HZ2 LYS 12 4.240 7.643 13.965 195 HZ3 LYS 12 HZ3 LYS 12 3.155 8.845 13.495 196 H LEU 13 H LEU 13 1.653 6.569 10.771 197 HA LEU 13 HA LEU 13 3.443 5.825 8.557 198 HB2 LEU 13 HB3 LEU 13 1.317 6.888 7.751 199 HB3 LEU 13 HB2 LEU 13 1.694 8.297 8.714 200 HG LEU 13 HG LEU 13 3.536 7.356 6.521 201 HD11 LEU 13 HD11 LEU 13 2.448 8.995 5.058 202 HD12 LEU 13 HD12 LEU 13 1.221 9.275 6.293 203 HD13 LEU 13 HD13 LEU 13 1.347 7.697 5.519 204 HD21 LEU 13 HD21 LEU 13 4.249 9.692 6.520 205 HD22 LEU 13 HD22 LEU 13 4.448 8.975 8.118 206 HD23 LEU 13 HD23 LEU 13 3.091 10.055 7.799 207 H GLU 14 H GLU 14 5.525 6.460 9.010 208 HA GLU 14 HA GLU 14 5.912 8.310 11.211 209 HB2 GLU 14 HB3 GLU 14 7.165 6.166 11.088 210 HB3 GLU 14 HB2 GLU 14 7.930 6.727 9.607 211 HG2 GLU 14 HG3 GLU 14 9.411 7.000 11.502 212 HG3 GLU 14 HG2 GLU 14 8.962 8.568 10.834 213 H ARG 15 H ARG 15 7.138 7.941 7.870 214 HA ARG 15 HA ARG 15 7.080 10.803 7.476 215 HB2 ARG 15 HB3 ARG 15 9.458 11.049 7.054 216 HB3 ARG 15 HB2 ARG 15 9.217 10.438 8.686 217 HG2 ARG 15 HG3 ARG 15 9.743 8.186 7.938 218 HG3 ARG 15 HG2 ARG 15 9.940 8.778 6.285 219 HD2 ARG 15 HD3 ARG 15 11.816 10.139 6.958 220 HD3 ARG 15 HD2 ARG 15 11.569 9.698 8.647 221 HE ARG 15 HE ARG 15 11.973 7.310 7.656 222 HH11 ARG 15 HH11 ARG 15 13.663 10.272 6.871 223 HH12 ARG 15 HH12 ARG 15 15.145 9.468 6.467 224 HH21 ARG 15 HH21 ARG 15 13.933 6.248 7.142 225 HH22 ARG 15 HH22 ARG 15 15.297 7.183 6.615 226 H ASP 16 H ASP 16 8.313 11.251 5.282 227 HA ASP 16 HA ASP 16 7.897 9.059 3.384 228 HB2 ASP 16 HB3 ASP 16 6.659 10.455 1.858 229 HB3 ASP 16 HB2 ASP 16 5.854 10.495 3.422 230 H GLU 17 H GLU 17 8.740 9.836 1.137 231 HA GLU 17 HA GLU 17 10.966 11.681 1.301 232 HB2 GLU 17 HB3 GLU 17 11.847 9.547 2.229 233 HB3 GLU 17 HB2 GLU 17 11.444 8.753 0.714 234 HG2 GLU 17 HG3 GLU 17 12.985 10.304 -0.450 235 HG3 GLU 17 HG2 GLU 17 13.445 10.956 1.121 236 H ASN 18 H ASN 18 10.810 12.813 -0.517 237 HA ASN 18 HA ASN 18 10.733 13.367 -2.726 238 HB2 ASN 18 HB3 ASN 18 12.410 11.379 -2.737 239 HB3 ASN 18 HB2 ASN 18 11.086 10.468 -3.449 240 HD21 ASN 18 HD21 ASN 18 10.571 10.775 -5.559 241 HD22 ASN 18 HD22 ASN 18 11.457 11.813 -6.621 242 H PHE 19 H PHE 19 8.352 12.624 -1.294 243 HA PHE 19 HA PHE 19 6.719 11.109 -3.136 244 HB2 PHE 19 HB3 PHE 19 6.438 11.019 -0.612 245 HB3 PHE 19 HB2 PHE 19 5.697 12.612 -0.729 246 HD1 PHE 19 HD1 PHE 19 5.314 9.888 -3.192 247 HD2 PHE 19 HD2 PHE 19 3.502 12.054 -0.007 248 HE1 PHE 19 HE1 PHE 19 3.165 8.824 -3.704 249 HE2 PHE 19 HE2 PHE 19 1.342 10.987 -0.517 250 HZ PHE 19 HZ PHE 19 1.173 9.366 -2.373 251 H ASP 20 H ASP 20 7.104 14.498 -2.208 252 HA ASP 20 HA ASP 20 5.094 15.670 -3.689 253 HB2 ASP 20 HB3 ASP 20 7.940 16.537 -3.188 254 HB3 ASP 20 HB2 ASP 20 6.818 17.535 -4.103 255 H GLU 21 H GLU 21 8.394 14.992 -4.784 256 HA GLU 21 HA GLU 21 8.156 15.596 -7.444 257 HB2 GLU 21 HB3 GLU 21 9.812 13.528 -6.036 258 HB3 GLU 21 HB2 GLU 21 9.948 13.813 -7.766 259 HG2 GLU 21 HG3 GLU 21 11.647 15.018 -6.530 260 HG3 GLU 21 HG2 GLU 21 10.559 16.116 -7.360 261 H TYR 22 H TYR 22 7.454 12.478 -5.877 262 HA TYR 22 HA TYR 22 6.721 11.100 -8.192 263 HB2 TYR 22 HB3 TYR 22 7.024 9.893 -6.132 264 HB3 TYR 22 HB2 TYR 22 5.723 10.796 -5.355 265 HD1 TYR 22 HD1 TYR 22 3.440 10.199 -5.682 266 HD2 TYR 22 HD2 TYR 22 6.500 8.246 -7.895 267 HE1 TYR 22 HE1 TYR 22 1.837 8.471 -6.369 268 HE2 TYR 22 HE2 TYR 22 4.905 6.515 -8.588 269 HH TYR 22 HH TYR 22 1.493 6.798 -7.929 270 H LEU 23 H LEU 23 4.773 13.160 -6.046 271 HA LEU 23 HA LEU 23 2.297 12.579 -7.315 272 HB2 LEU 23 HB3 LEU 23 3.136 14.953 -5.646 273 HB3 LEU 23 HB2 LEU 23 1.489 14.620 -6.144 274 HG LEU 23 HG LEU 23 3.164 12.844 -4.370 275 HD11 LEU 23 HD11 LEU 23 0.819 14.613 -3.709 276 HD12 LEU 23 HD12 LEU 23 2.499 14.936 -3.285 277 HD13 LEU 23 HD13 LEU 23 1.666 13.544 -2.594 278 HD21 LEU 23 HD21 LEU 23 1.579 11.575 -5.717 279 HD22 LEU 23 HD22 LEU 23 0.271 12.641 -5.202 280 HD23 LEU 23 HD23 LEU 23 1.081 11.608 -4.026 281 H LYS 24 H LYS 24 4.790 15.020 -7.772 282 HA LYS 24 HA LYS 24 3.511 16.642 -9.680 283 HB2 LYS 24 HB3 LYS 24 6.452 15.953 -9.474 284 HB3 LYS 24 HB2 LYS 24 5.777 17.313 -10.353 285 HG2 LYS 24 HG3 LYS 24 5.034 18.332 -8.303 286 HG3 LYS 24 HG2 LYS 24 5.554 16.920 -7.380 287 HD2 LYS 24 HD3 LYS 24 7.884 17.356 -8.122 288 HD3 LYS 24 HD2 LYS 24 7.320 18.822 -8.922 289 HE2 LYS 24 HE3 LYS 24 6.636 19.771 -6.823 290 HE3 LYS 24 HE2 LYS 24 6.991 18.267 -5.979 291 HZ1 LYS 24 HZ1 LYS 24 9.030 19.907 -7.384 292 HZ2 LYS 24 HZ2 LYS 24 9.313 18.561 -6.396 293 HZ3 LYS 24 HZ3 LYS 24 8.720 19.996 -5.723 294 H ALA 25 H ALA 25 5.746 13.947 -10.098 295 HA ALA 25 HA ALA 25 5.632 13.667 -12.865 296 HB1 ALA 25 HB1 ALA 25 7.243 12.493 -11.439 297 HB2 ALA 25 HB2 ALA 25 6.414 11.391 -12.538 298 HB3 ALA 25 HB3 ALA 25 5.947 11.460 -10.838 299 H ARG 26 H ARG 26 3.476 12.456 -10.393 300 HA ARG 26 HA ARG 26 1.921 10.755 -12.048 301 HB2 ARG 26 HB3 ARG 26 1.642 11.928 -9.340 302 HB3 ARG 26 HB2 ARG 26 0.175 11.352 -10.115 303 HG2 ARG 26 HG3 ARG 26 2.652 9.699 -9.680 304 HG3 ARG 26 HG2 ARG 26 1.223 9.680 -8.643 305 HD2 ARG 26 HD3 ARG 26 1.446 8.804 -11.516 306 HD3 ARG 26 HD2 ARG 26 1.025 7.825 -10.110 307 HE ARG 26 HE ARG 26 -0.855 9.890 -10.358 308 HH11 ARG 26 HH11 ARG 26 0.096 6.929 -11.971 309 HH12 ARG 26 HH12 ARG 26 -1.460 6.679 -12.694 310 HH21 ARG 26 HH21 ARG 26 -2.884 9.580 -11.313 311 HH22 ARG 26 HH22 ARG 26 -3.158 8.214 -12.358 312 H GLY 27 H GLY 27 2.051 14.151 -11.750 313 HA2 GLY 27 HA3 GLY 27 0.979 15.481 -13.434 314 HA3 GLY 27 HA2 GLY 27 -0.355 14.340 -13.432 315 H TYR 28 H TYR 28 0.388 14.775 -10.262 316 HA TYR 28 HA TYR 28 -1.929 16.371 -9.803 317 HB2 TYR 28 HB3 TYR 28 0.266 15.513 -7.902 318 HB3 TYR 28 HB2 TYR 28 -1.234 16.292 -7.414 319 HD1 TYR 28 HD1 TYR 28 0.370 13.195 -7.843 320 HD2 TYR 28 HD2 TYR 28 -3.426 15.070 -8.264 321 HE1 TYR 28 HE1 TYR 28 -0.724 11.003 -7.689 322 HE2 TYR 28 HE2 TYR 28 -4.530 12.876 -8.120 323 HH TYR 28 HH TYR 28 -2.907 10.084 -7.077 324 H GLY 29 H GLY 29 -2.052 18.430 -10.119 325 HA2 GLY 29 HA3 GLY 29 0.129 20.038 -10.836 326 HA3 GLY 29 HA2 GLY 29 -1.502 20.602 -10.531 327 H TRP 30 H TRP 30 -1.934 20.326 -7.920 328 HA TRP 30 HA TRP 30 0.307 21.035 -6.308 329 HB2 TRP 30 HB3 TRP 30 0.109 23.143 -7.532 330 HB3 TRP 30 HB2 TRP 30 -1.589 23.263 -7.083 331 HD1 TRP 30 HD1 TRP 30 1.925 23.494 -5.520 332 HE1 TRP 30 HE1 TRP 30 1.743 24.851 -3.338 333 HE3 TRP 30 HE3 TRP 30 -3.145 23.998 -5.312 334 HZ2 TRP 30 HZ2 TRP 30 -0.298 25.983 -1.741 335 HZ3 TRP 30 HZ3 TRP 30 -4.138 25.230 -3.431 336 HH2 TRP 30 HH2 TRP 30 -2.745 26.198 -1.688 337 H ILE 31 H ILE 31 -3.187 21.746 -6.517 338 HA ILE 31 HA ILE 31 -3.770 21.745 -3.831 339 HB ILE 31 HB ILE 31 -5.328 21.345 -6.295 340 HG12 ILE 31 HG13 ILE 31 -4.981 23.533 -5.196 341 HG13 ILE 31 HG12 ILE 31 -6.684 23.102 -5.316 342 HG21 ILE 31 HG21 ILE 31 -6.470 20.486 -3.642 343 HG22 ILE 31 HG22 ILE 31 -6.176 19.446 -5.036 344 HG23 ILE 31 HG23 ILE 31 -7.393 20.722 -5.127 345 HD11 ILE 31 HD11 ILE 31 -4.953 22.848 -2.877 346 HD12 ILE 31 HD12 ILE 31 -6.647 22.378 -2.983 347 HD13 ILE 31 HD13 ILE 31 -6.191 24.073 -3.160 348 H MET 32 H MET 32 -3.996 18.971 -6.022 349 HA MET 32 HA MET 32 -4.741 17.099 -4.111 350 HB2 MET 32 HB3 MET 32 -3.210 16.766 -6.678 351 HB3 MET 32 HB2 MET 32 -3.685 15.404 -5.673 352 HG2 MET 32 HG3 MET 32 -5.442 17.333 -7.126 353 HG3 MET 32 HG2 MET 32 -5.319 15.600 -7.352 354 HE1 MET 32 HE1 MET 32 -5.102 15.049 -4.032 355 HE2 MET 32 HE2 MET 32 -5.821 13.939 -5.197 356 HE3 MET 32 HE3 MET 32 -6.748 14.461 -3.784 357 H ARG 33 H ARG 33 -1.537 18.281 -4.974 358 HA ARG 33 HA ARG 33 -0.122 16.317 -3.490 359 HB2 ARG 33 HB3 ARG 33 0.823 19.107 -4.162 360 HB3 ARG 33 HB2 ARG 33 1.825 17.722 -3.751 361 HG2 ARG 33 HG3 ARG 33 0.759 16.625 -5.827 362 HG3 ARG 33 HG2 ARG 33 0.309 18.271 -6.267 363 HD2 ARG 33 HD3 ARG 33 3.086 17.200 -5.796 364 HD3 ARG 33 HD2 ARG 33 2.391 17.716 -7.329 365 HE ARG 33 HE ARG 33 2.919 19.569 -5.090 366 HH11 ARG 33 HH11 ARG 33 2.870 18.825 -8.511 367 HH12 ARG 33 HH12 ARG 33 3.639 20.308 -8.973 368 HH21 ARG 33 HH21 ARG 33 3.922 21.529 -5.704 369 HH22 ARG 33 HH22 ARG 33 4.219 21.851 -7.383 370 H GLN 34 H GLN 34 -1.779 19.223 -2.674 371 HA GLN 34 HA GLN 34 -0.573 19.543 -0.086 372 HB2 GLN 34 HB3 GLN 34 -3.171 20.659 -1.160 373 HB3 GLN 34 HB2 GLN 34 -2.358 21.177 0.310 374 HG2 GLN 34 HG3 GLN 34 -1.355 21.485 -2.510 375 HG3 GLN 34 HG2 GLN 34 -1.966 22.760 -1.460 376 HE21 GLN 34 HE21 GLN 34 0.698 20.702 -2.211 377 HE22 GLN 34 HE22 GLN 34 1.853 21.459 -1.171 378 H VAL 35 H VAL 35 -3.337 17.841 -1.431 379 HA VAL 35 HA VAL 35 -4.473 17.234 1.141 380 HB VAL 35 HB VAL 35 -5.109 16.224 -1.640 381 HG11 VAL 35 HG11 VAL 35 -6.738 15.934 0.877 382 HG12 VAL 35 HG12 VAL 35 -5.816 14.644 0.106 383 HG13 VAL 35 HG13 VAL 35 -7.182 15.374 -0.736 384 HG21 VAL 35 HG21 VAL 35 -7.029 17.741 -1.511 385 HG22 VAL 35 HG22 VAL 35 -5.499 18.610 -1.389 386 HG23 VAL 35 HG23 VAL 35 -6.464 18.315 0.057 387 H ILE 36 H ILE 36 -3.357 15.184 -1.531 388 HA ILE 36 HA ILE 36 -3.197 12.731 -0.488 389 HB ILE 36 HB ILE 36 -1.153 14.025 -2.272 390 HG12 ILE 36 HG13 ILE 36 -3.581 12.337 -2.914 391 HG13 ILE 36 HG12 ILE 36 -3.592 14.094 -2.930 392 HG21 ILE 36 HG21 ILE 36 -1.796 11.118 -1.798 393 HG22 ILE 36 HG22 ILE 36 -0.318 11.946 -1.297 394 HG23 ILE 36 HG23 ILE 36 -0.677 11.747 -3.011 395 HD11 ILE 36 HD11 ILE 36 -1.984 12.284 -4.705 396 HD12 ILE 36 HD12 ILE 36 -1.864 14.045 -4.684 397 HD13 ILE 36 HD13 ILE 36 -3.377 13.273 -5.160 398 H LYS 37 H LYS 37 -0.618 15.188 0.018 399 HA LYS 37 HA LYS 37 1.063 13.339 1.423 400 HB2 LYS 37 HB3 LYS 37 1.179 16.342 1.252 401 HB3 LYS 37 HB2 LYS 37 2.409 15.342 2.008 402 HG2 LYS 37 HG3 LYS 37 2.676 14.204 -0.227 403 HG3 LYS 37 HG2 LYS 37 1.664 15.489 -0.896 404 HD2 LYS 37 HD3 LYS 37 4.304 15.811 0.525 405 HD3 LYS 37 HD2 LYS 37 3.980 16.088 -1.187 406 HE2 LYS 37 HE3 LYS 37 2.578 17.967 -0.682 407 HE3 LYS 37 HE2 LYS 37 2.652 17.621 1.045 408 HZ1 LYS 37 HZ1 LYS 37 4.122 19.423 0.484 409 HZ2 LYS 37 HZ2 LYS 37 4.925 18.470 -0.668 410 HZ3 LYS 37 HZ3 LYS 37 5.034 18.086 0.978 411 H LEU 38 H LEU 38 -1.518 15.425 2.366 412 HA LEU 38 HA LEU 38 -0.607 15.483 5.147 413 HB2 LEU 38 HB3 LEU 38 -2.627 17.053 3.598 414 HB3 LEU 38 HB2 LEU 38 -2.776 16.946 5.339 415 HG LEU 38 HG LEU 38 -1.645 18.999 4.695 416 HD11 LEU 38 HD11 LEU 38 0.320 18.810 6.102 417 HD12 LEU 38 HD12 LEU 38 0.257 17.054 5.987 418 HD13 LEU 38 HD13 LEU 38 -1.035 17.929 6.809 419 HD21 LEU 38 HD21 LEU 38 -0.677 18.240 2.584 420 HD22 LEU 38 HD22 LEU 38 0.459 17.219 3.471 421 HD23 LEU 38 HD23 LEU 38 0.543 18.976 3.629 422 H ALA 39 H ALA 39 -2.108 13.352 3.366 423 HA ALA 39 HA ALA 39 -4.334 12.741 5.099 424 HB1 ALA 39 HB1 ALA 39 -4.676 10.821 3.629 425 HB2 ALA 39 HB2 ALA 39 -3.164 11.179 2.796 426 HB3 ALA 39 HB3 ALA 39 -4.515 12.309 2.698 427 H GLY 40 H GLY 40 -3.987 11.813 6.995 428 HA2 GLY 40 HA3 GLY 40 -1.655 10.344 7.678 429 HA3 GLY 40 HA2 GLY 40 -3.155 10.390 8.600 430 H VAL 41 H VAL 41 -1.150 8.327 7.135 431 HA VAL 41 HA VAL 41 -3.295 6.688 5.959 432 HB VAL 41 HB VAL 41 -0.340 6.556 5.347 433 HG11 VAL 41 HG11 VAL 41 -1.456 4.403 5.090 434 HG12 VAL 41 HG12 VAL 41 -0.998 5.067 3.521 435 HG13 VAL 41 HG13 VAL 41 -2.677 5.151 4.058 436 HG21 VAL 41 HG21 VAL 41 -2.600 7.678 3.696 437 HG22 VAL 41 HG22 VAL 41 -0.923 7.517 3.178 438 HG23 VAL 41 HG23 VAL 41 -1.336 8.614 4.494 439 H THR 42 H THR 42 -3.888 5.021 7.110 440 HA THR 42 HA THR 42 -1.930 3.699 8.861 441 HB THR 42 HB THR 42 -4.947 3.453 8.815 442 HG1 THR 42 HG1 THR 42 -4.229 5.442 9.687 443 HG21 THR 42 HG21 THR 42 -4.698 2.159 10.862 444 HG22 THR 42 HG22 THR 42 -2.944 2.303 10.760 445 HG23 THR 42 HG23 THR 42 -3.826 1.385 9.539 446 H LYS 43 H LYS 43 -0.867 2.256 7.653 447 HA LYS 43 HA LYS 43 -2.121 0.800 5.507 448 HB2 LYS 43 HB3 LYS 43 0.273 1.677 5.568 449 HB3 LYS 43 HB2 LYS 43 0.624 0.391 6.710 450 HG2 LYS 43 HG3 LYS 43 1.326 -0.274 4.522 451 HG3 LYS 43 HG2 LYS 43 -0.053 -1.259 5.013 452 HD2 LYS 43 HD3 LYS 43 -0.295 -0.594 2.698 453 HD3 LYS 43 HD2 LYS 43 -1.532 0.185 3.678 454 HE2 LYS 43 HE3 LYS 43 -0.218 2.251 3.699 455 HE3 LYS 43 HE2 LYS 43 1.029 1.469 2.728 456 HZ1 LYS 43 HZ1 LYS 43 -0.466 1.280 0.908 457 HZ2 LYS 43 HZ2 LYS 43 -0.582 2.885 1.451 458 HZ3 LYS 43 HZ3 LYS 43 -1.789 1.759 1.845 459 H LYS 44 H LYS 44 -3.126 -1.152 5.731 460 HA LYS 44 HA LYS 44 -2.626 -2.630 8.230 461 HB2 LYS 44 HB3 LYS 44 -5.185 -2.094 6.759 462 HB3 LYS 44 HB2 LYS 44 -5.030 -3.494 7.806 463 HG2 LYS 44 HG3 LYS 44 -4.464 -1.974 9.672 464 HG3 LYS 44 HG2 LYS 44 -4.770 -0.604 8.601 465 HD2 LYS 44 HD3 LYS 44 -7.063 -1.261 8.326 466 HD3 LYS 44 HD2 LYS 44 -6.787 -2.764 9.205 467 HE2 LYS 44 HE3 LYS 44 -6.252 -1.431 11.222 468 HE3 LYS 44 HE2 LYS 44 -6.654 0.033 10.325 469 HZ1 LYS 44 HZ1 LYS 44 -8.902 -0.787 10.050 470 HZ2 LYS 44 HZ2 LYS 44 -8.505 -0.739 11.690 471 HZ3 LYS 44 HZ3 LYS 44 -8.519 -2.215 10.868 472 H PHE 45 H PHE 45 -1.655 -4.510 7.871 473 HA PHE 45 HA PHE 45 -2.709 -6.165 5.673 474 HB2 PHE 45 HB3 PHE 45 0.091 -6.072 6.796 475 HB3 PHE 45 HB2 PHE 45 -0.507 -7.427 5.852 476 HD1 PHE 45 HD1 PHE 45 0.410 -3.888 5.775 477 HD2 PHE 45 HD2 PHE 45 -0.800 -7.263 3.484 478 HE1 PHE 45 HE1 PHE 45 1.022 -2.701 3.713 479 HE2 PHE 45 HE2 PHE 45 -0.188 -6.081 1.416 480 HZ PHE 45 HZ PHE 45 0.721 -3.840 1.506 481 H ARG 46 H ARG 46 -3.387 -8.207 6.215 482 HA ARG 46 HA ARG 46 -2.996 -9.268 8.864 483 HB2 ARG 46 HB3 ARG 46 -5.494 -9.153 9.361 484 HB3 ARG 46 HB2 ARG 46 -4.605 -7.641 9.500 485 HG2 ARG 46 HG3 ARG 46 -5.361 -7.023 7.237 486 HG3 ARG 46 HG2 ARG 46 -6.304 -8.507 7.179 487 HD2 ARG 46 HD3 ARG 46 -6.656 -6.334 9.229 488 HD3 ARG 46 HD2 ARG 46 -7.626 -6.492 7.769 489 HE ARG 46 HE ARG 46 -7.554 -8.510 9.921 490 HH11 ARG 46 HH11 ARG 46 -9.242 -6.816 7.354 491 HH12 ARG 46 HH12 ARG 46 -10.787 -7.485 7.772 492 HH21 ARG 46 HH21 ARG 46 -9.580 -9.424 10.429 493 HH22 ARG 46 HH22 ARG 46 -10.980 -8.966 9.513 494 H ASN 47 H ASN 47 -3.930 -11.326 9.130 495 HA ASN 47 HA ASN 47 -4.288 -12.955 6.839 496 HB2 ASN 47 HB3 ASN 47 -5.157 -13.424 9.707 497 HB3 ASN 47 HB2 ASN 47 -5.122 -14.657 8.452 498 HD21 ASN 47 HD21 ASN 47 -3.157 -15.465 7.754 499 HD22 ASN 47 HD22 ASN 47 -1.684 -15.193 8.624 500 H ALA 48 H ALA 48 -6.263 -13.797 5.884 501 HA ALA 48 HA ALA 48 -8.314 -11.857 5.755 502 HB1 ALA 48 HB1 ALA 48 -7.749 -13.318 3.871 503 HB2 ALA 48 HB2 ALA 48 -9.451 -13.466 4.305 504 HB3 ALA 48 HB3 ALA 48 -8.303 -14.722 4.783 505 H ALA 49 H ALA 49 -10.362 -11.885 6.449 506 HA ALA 49 HA ALA 49 -10.614 -12.694 9.147 507 HB1 ALA 49 HB1 ALA 49 -12.738 -11.613 7.317 508 HB2 ALA 49 HB2 ALA 49 -11.539 -10.623 8.147 509 HB3 ALA 49 HB3 ALA 49 -12.718 -11.551 9.081 510 H SER 50 H SER 50 -11.834 -13.941 6.099 511 HA SER 50 HA SER 50 -13.665 -15.790 6.962 512 HB2 SER 50 HB3 SER 50 -11.663 -16.270 4.756 513 HB3 SER 50 HB2 SER 50 -13.309 -16.889 4.872 514 HG SER 50 HG SER 50 -12.481 -14.635 3.741 515 H GLY 51 H GLY 51 -10.411 -15.735 7.872 516 HA2 GLY 51 HA3 GLY 51 -9.156 -17.207 9.095 517 HA3 GLY 51 HA2 GLY 51 -10.607 -18.183 9.276 518 H LYS 52 H LYS 52 -9.234 -17.350 6.174 519 HA LYS 52 HA LYS 52 -8.742 -20.213 5.735 520 HB2 LYS 52 HB3 LYS 52 -9.405 -17.993 3.797 521 HB3 LYS 52 HB2 LYS 52 -8.926 -19.610 3.300 522 HG2 LYS 52 HG3 LYS 52 -10.874 -20.538 4.460 523 HG3 LYS 52 HG2 LYS 52 -11.357 -18.908 4.934 524 HD2 LYS 52 HD3 LYS 52 -12.627 -19.588 2.999 525 HD3 LYS 52 HD2 LYS 52 -11.512 -18.300 2.541 526 HE2 LYS 52 HE3 LYS 52 -11.457 -19.961 0.826 527 HE3 LYS 52 HE2 LYS 52 -9.940 -20.053 1.716 528 HZ1 LYS 52 HZ1 LYS 52 -10.880 -22.243 1.246 529 HZ2 LYS 52 HZ2 LYS 52 -12.267 -21.852 2.130 530 HZ3 LYS 52 HZ3 LYS 52 -10.773 -21.963 2.911 531 HA PRO 53 HA PRO 53 -4.433 -19.372 5.289 532 HB2 PRO 53 HB3 PRO 53 -3.684 -21.538 3.876 533 HB3 PRO 53 HB2 PRO 53 -4.183 -21.656 5.568 534 HG2 PRO 53 HG3 PRO 53 -5.769 -22.201 3.088 535 HG3 PRO 53 HG2 PRO 53 -5.662 -23.161 4.575 536 HD2 PRO 53 HD3 PRO 53 -7.728 -21.479 4.063 537 HD3 PRO 53 HD2 PRO 53 -7.136 -21.796 5.708 538 H ASP 54 H ASP 54 -3.050 -18.447 3.856 539 HA ASP 54 HA ASP 54 -2.119 -17.696 1.923 540 HB2 ASP 54 HB3 ASP 54 -2.374 -19.577 0.603 541 HB3 ASP 54 HB2 ASP 54 -4.124 -19.579 0.753 542 H ARG 55 H ARG 55 -5.683 -17.614 1.925 543 HA ARG 55 HA ARG 55 -5.897 -15.058 0.835 544 HB2 ARG 55 HB3 ARG 55 -7.731 -16.359 2.848 545 HB3 ARG 55 HB2 ARG 55 -8.131 -14.996 1.811 546 HG2 ARG 55 HG3 ARG 55 -7.514 -17.795 0.949 547 HG3 ARG 55 HG2 ARG 55 -9.089 -17.002 0.912 548 HD2 ARG 55 HD3 ARG 55 -7.936 -15.286 -0.617 549 HD3 ARG 55 HD2 ARG 55 -6.669 -16.499 -0.785 550 HE ARG 55 HE ARG 55 -9.485 -16.980 -1.510 551 HH11 ARG 55 HH11 ARG 55 -6.054 -17.479 -2.087 552 HH12 ARG 55 HH12 ARG 55 -6.320 -18.297 -3.596 553 HH21 ARG 55 HH21 ARG 55 -9.802 -18.077 -3.470 554 HH22 ARG 55 HH22 ARG 55 -8.435 -18.640 -4.371 555 H TYR 56 H TYR 56 -5.437 -13.166 1.555 556 HA TYR 56 HA TYR 56 -5.342 -12.694 4.458 557 HB2 TYR 56 HB3 TYR 56 -3.452 -11.692 2.325 558 HB3 TYR 56 HB2 TYR 56 -3.562 -10.953 3.919 559 HD1 TYR 56 HD1 TYR 56 -2.522 -13.937 2.051 560 HD2 TYR 56 HD2 TYR 56 -2.675 -12.073 5.867 561 HE1 TYR 56 HE1 TYR 56 -0.920 -15.589 2.915 562 HE2 TYR 56 HE2 TYR 56 -1.075 -13.719 6.742 563 HH TYR 56 HH TYR 56 -0.388 -16.109 6.148 564 H ASP 57 H ASP 57 -5.381 -10.208 4.830 565 HA ASP 57 HA ASP 57 -7.256 -8.937 2.961 566 HB2 ASP 57 HB3 ASP 57 -8.508 -9.956 4.867 567 HB3 ASP 57 HB2 ASP 57 -7.576 -8.963 5.973 568 H MET 58 H MET 58 -7.121 -6.620 2.958 569 HA MET 58 HA MET 58 -4.926 -5.429 4.464 570 HB2 MET 58 HB3 MET 58 -3.851 -6.515 2.524 571 HB3 MET 58 HB2 MET 58 -4.896 -5.611 1.441 572 HG2 MET 58 HG3 MET 58 -3.019 -4.255 3.344 573 HG3 MET 58 HG2 MET 58 -2.515 -4.798 1.745 574 HE1 MET 58 HE1 MET 58 -1.745 -2.268 1.370 575 HE2 MET 58 HE2 MET 58 -2.410 -1.797 2.938 576 HE3 MET 58 HE3 MET 58 -2.849 -0.892 1.489 577 H GLU 59 H GLU 59 -5.154 -3.242 4.719 578 HA GLU 59 HA GLU 59 -7.273 -1.926 3.192 579 HB2 GLU 59 HB3 GLU 59 -7.154 -2.068 6.200 580 HB3 GLU 59 HB2 GLU 59 -8.099 -0.864 5.343 581 HG2 GLU 59 HG3 GLU 59 -9.372 -2.675 4.262 582 HG3 GLU 59 HG2 GLU 59 -8.458 -3.849 5.207 583 H ASN 60 H ASN 60 -7.282 0.310 3.198 584 HA ASN 60 HA ASN 60 -4.833 1.647 4.153 585 HB2 ASN 60 HB3 ASN 60 -6.237 1.939 1.493 586 HB3 ASN 60 HB2 ASN 60 -5.133 3.158 2.112 587 HD21 ASN 60 HD21 ASN 60 -5.118 1.233 -0.211 588 HD22 ASN 60 HD22 ASN 60 -3.564 0.482 -0.117 589 H LEU 61 H LEU 61 -5.756 2.623 5.918 590 HA LEU 61 HA LEU 61 -8.188 4.202 5.490 591 HB2 LEU 61 HB3 LEU 61 -6.673 3.583 8.024 592 HB3 LEU 61 HB2 LEU 61 -8.139 4.537 7.944 593 HG LEU 61 HG LEU 61 -7.875 1.608 7.272 594 HD11 LEU 61 HD11 LEU 61 -7.815 2.087 9.660 595 HD12 LEU 61 HD12 LEU 61 -9.325 1.296 9.211 596 HD13 LEU 61 HD13 LEU 61 -9.297 3.032 9.515 597 HD21 LEU 61 HD21 LEU 61 -10.326 1.679 7.002 598 HD22 LEU 61 HD22 LEU 61 -9.485 2.646 5.791 599 HD23 LEU 61 HD23 LEU 61 -10.273 3.435 7.156 600 H THR 62 H THR 62 -8.194 6.386 5.441 601 HA THR 62 HA THR 62 -5.677 7.769 5.999 602 HB THR 62 HB THR 62 -5.776 9.046 3.942 603 HG1 THR 62 HG1 THR 62 -7.444 7.936 2.369 604 HG21 THR 62 HG21 THR 62 -5.329 7.298 2.291 605 HG22 THR 62 HG22 THR 62 -6.046 6.101 3.364 606 HG23 THR 62 HG23 THR 62 -4.565 6.932 3.836 607 H THR 63 H THR 63 -6.720 10.239 4.866 608 HA THR 63 HA THR 63 -8.642 10.893 6.980 609 HB THR 63 HB THR 63 -7.881 13.240 6.601 610 HG1 THR 63 HG1 THR 63 -6.376 13.664 5.090 611 HG21 THR 63 HG21 THR 63 -6.845 11.986 8.379 612 HG22 THR 63 HG22 THR 63 -5.585 12.902 7.542 613 HG23 THR 63 HG23 THR 63 -5.778 11.173 7.234 614 H LYS 64 H LYS 64 -8.048 10.971 3.539 615 HA LYS 64 HA LYS 64 -10.540 12.457 3.105 616 HB2 LYS 64 HB3 LYS 64 -8.134 12.035 1.334 617 HB3 LYS 64 HB2 LYS 64 -9.607 12.825 0.800 618 HG2 LYS 64 HG3 LYS 64 -7.934 13.797 3.105 619 HG3 LYS 64 HG2 LYS 64 -7.750 14.357 1.445 620 HD2 LYS 64 HD3 LYS 64 -9.186 15.962 2.144 621 HD3 LYS 64 HD2 LYS 64 -10.386 14.735 1.745 622 HE2 LYS 64 HE3 LYS 64 -10.289 13.983 4.129 623 HE3 LYS 64 HE2 LYS 64 -9.252 15.364 4.465 624 HZ1 LYS 64 HZ1 LYS 64 -11.032 16.821 3.698 625 HZ2 LYS 64 HZ2 LYS 64 -11.529 15.870 5.002 626 HZ3 LYS 64 HZ3 LYS 64 -12.032 15.482 3.437 627 H LYS 65 H LYS 65 -9.251 9.359 2.980 628 HA LYS 65 HA LYS 65 -11.488 8.438 1.371 629 HB2 LYS 65 HB3 LYS 65 -8.994 8.793 0.206 630 HB3 LYS 65 HB2 LYS 65 -9.046 7.075 0.571 631 HG2 LYS 65 HG3 LYS 65 -11.012 8.636 -1.096 632 HG3 LYS 65 HG2 LYS 65 -9.853 7.436 -1.665 633 HD2 LYS 65 HD3 LYS 65 -11.030 5.718 -0.340 634 HD3 LYS 65 HD2 LYS 65 -12.209 6.930 0.154 635 HE2 LYS 65 HE3 LYS 65 -12.722 7.284 -2.273 636 HE3 LYS 65 HE2 LYS 65 -11.689 5.897 -2.625 637 HZ1 LYS 65 HZ1 LYS 65 -14.124 5.857 -0.925 638 HZ2 LYS 65 HZ2 LYS 65 -13.133 4.527 -1.251 639 HZ3 LYS 65 HZ3 LYS 65 -14.009 5.254 -2.500 640 H ASP 66 H ASP 66 -9.994 5.904 1.114 641 HA ASP 66 HA ASP 66 -9.502 4.408 3.207 642 HB2 ASP 66 HB3 ASP 66 -11.595 3.586 4.195 643 HB3 ASP 66 HB2 ASP 66 -11.396 5.305 4.493 644 H THR 67 H THR 67 -9.053 2.547 2.297 645 HA THR 67 HA THR 67 -10.883 1.451 0.284 646 HB THR 67 HB THR 67 -9.039 0.838 -1.188 647 HG1 THR 67 HG1 THR 67 -7.552 1.059 0.896 648 HG21 THR 67 HG21 THR 67 -10.013 3.040 -1.590 649 HG22 THR 67 HG22 THR 67 -8.282 3.086 -1.922 650 HG23 THR 67 HG23 THR 67 -8.912 3.762 -0.418 651 H HIS 68 H HIS 68 -10.908 -0.869 0.267 652 HA HIS 68 HA HIS 68 -9.446 -2.106 2.461 653 HB2 HIS 68 HB3 HIS 68 -11.533 -3.083 3.420 654 HB3 HIS 68 HB2 HIS 68 -11.427 -1.337 3.595 655 HD1 HIS 68 HD1 HIS 68 -14.164 -2.305 3.912 656 HD2 HIS 68 HD2 HIS 68 -12.545 -1.648 0.144 657 HE1 HIS 68 HE1 HIS 68 -16.135 -2.001 2.380 658 HE2 HIS 68 HE2 HIS 68 -15.137 -1.414 0.143 659 H HIS 69 H HIS 69 -8.384 -3.336 1.059 660 HA HIS 69 HA HIS 69 -9.543 -4.950 -0.973 661 HB2 HIS 69 HB3 HIS 69 -6.922 -5.490 0.429 662 HB3 HIS 69 HB2 HIS 69 -7.386 -5.959 -1.197 663 HD1 HIS 69 HD1 HIS 69 -8.465 -2.765 -1.560 664 HD2 HIS 69 HD2 HIS 69 -4.668 -4.274 -0.778 665 HE1 HIS 69 HE1 HIS 69 -6.856 -1.003 -2.346 666 HE2 HIS 69 HE2 HIS 69 -4.562 -2.032 -2.055 667 H LYS 70 H LYS 70 -11.271 -6.032 0.076 668 HA LYS 70 HA LYS 70 -10.822 -7.599 2.423 669 HB2 LYS 70 HB3 LYS 70 -13.197 -7.487 0.583 670 HB3 LYS 70 HB2 LYS 70 -13.166 -8.251 2.165 671 HG2 LYS 70 HG3 LYS 70 -13.081 -6.244 3.289 672 HG3 LYS 70 HG2 LYS 70 -12.438 -5.371 1.896 673 HD2 LYS 70 HD3 LYS 70 -15.236 -6.472 2.137 674 HD3 LYS 70 HD2 LYS 70 -14.766 -4.785 2.349 675 HE2 LYS 70 HE3 LYS 70 -13.891 -4.780 0.045 676 HE3 LYS 70 HE2 LYS 70 -14.506 -6.416 -0.168 677 HZ1 LYS 70 HZ1 LYS 70 -16.008 -4.717 -1.061 678 HZ2 LYS 70 HZ2 LYS 70 -16.193 -4.063 0.486 679 HZ3 LYS 70 HZ3 LYS 70 -16.736 -5.629 0.163 680 H ASP 71 H ASP 71 -9.831 -9.502 2.403 681 HA ASP 71 HA ASP 71 -9.493 -11.724 2.049 682 HB2 ASP 71 HB3 ASP 71 -12.049 -11.601 2.198 683 HB3 ASP 71 HB2 ASP 71 -12.051 -11.737 0.448 684 H TRP 72 H TRP 72 -7.679 -11.099 0.691 685 HA TRP 72 HA TRP 72 -8.108 -11.821 -2.138 686 HB2 TRP 72 HB3 TRP 72 -6.214 -10.284 -2.680 687 HB3 TRP 72 HB2 TRP 72 -7.642 -9.458 -2.063 688 HD1 TRP 72 HD1 TRP 72 -7.447 -8.229 0.255 689 HE1 TRP 72 HE1 TRP 72 -5.452 -7.556 1.725 690 HE3 TRP 72 HE3 TRP 72 -3.789 -11.069 -1.939 691 HZ2 TRP 72 HZ2 TRP 72 -2.697 -8.156 1.915 692 HZ3 TRP 72 HZ3 TRP 72 -1.510 -10.920 -1.003 693 HH2 TRP 72 HH2 TRP 72 -0.989 -9.505 0.862 694 H ALA 73 H ALA 73 -6.236 -12.754 -3.218 695 HA ALA 73 HA ALA 73 -4.242 -13.878 -1.351 696 HB1 ALA 73 HB1 ALA 73 -5.309 -15.107 -3.889 697 HB2 ALA 73 HB2 ALA 73 -5.783 -15.571 -2.256 698 HB3 ALA 73 HB3 ALA 73 -4.125 -15.824 -2.796 699 H LEU 74 H LEU 74 -2.077 -13.861 -2.067 700 HA LEU 74 HA LEU 74 -1.405 -12.074 -4.136 701 HB2 LEU 74 HB3 LEU 74 0.904 -13.312 -3.981 702 HB3 LEU 74 HB2 LEU 74 0.384 -12.189 -2.751 703 HG LEU 74 HG LEU 74 1.522 -14.339 -2.004 704 HD11 LEU 74 HD11 LEU 74 0.048 -14.590 -0.041 705 HD12 LEU 74 HD12 LEU 74 -1.141 -13.562 -0.838 706 HD13 LEU 74 HD13 LEU 74 0.443 -12.915 -0.417 707 HD21 LEU 74 HD21 LEU 74 0.180 -16.321 -1.796 708 HD22 LEU 74 HD22 LEU 74 0.261 -15.833 -3.493 709 HD23 LEU 74 HD23 LEU 74 -1.190 -15.507 -2.551 710 H GLY 75 H GLY 75 -0.645 -12.435 -6.160 711 HA2 GLY 75 HA3 GLY 75 -0.625 -13.487 -8.238 712 HA3 GLY 75 HA2 GLY 75 -1.074 -14.991 -7.446 713 H GLU 76 H GLU 76 -3.144 -12.620 -6.358 714 HA GLU 76 HA GLU 76 -5.189 -13.514 -8.267 715 HB2 GLU 76 HB3 GLU 76 -5.612 -14.210 -5.977 716 HB3 GLU 76 HB2 GLU 76 -5.486 -12.547 -5.425 717 HG2 GLU 76 HG3 GLU 76 -7.483 -11.948 -6.619 718 HG3 GLU 76 HG2 GLU 76 -7.574 -13.552 -7.341 719 H GLU 77 H GLU 77 -6.737 -12.078 -9.027 720 HA GLU 77 HA GLU 77 -6.021 -9.214 -8.895 721 HB2 GLU 77 HB3 GLU 77 -5.506 -10.213 -11.109 722 HB3 GLU 77 HB2 GLU 77 -7.177 -10.738 -11.251 723 HG2 GLU 77 HG3 GLU 77 -7.855 -8.338 -11.112 724 HG3 GLU 77 HG2 GLU 77 -6.150 -7.914 -11.201 725 H PHE 78 H PHE 78 -7.607 -8.069 -7.928 726 HA PHE 78 HA PHE 78 -10.396 -8.917 -8.251 727 HB2 PHE 78 HB3 PHE 78 -10.781 -8.649 -5.827 728 HB3 PHE 78 HB2 PHE 78 -9.617 -9.927 -6.159 729 HD1 PHE 78 HD1 PHE 78 -7.183 -9.481 -5.808 730 HD2 PHE 78 HD2 PHE 78 -10.206 -6.774 -4.525 731 HE1 PHE 78 HE1 PHE 78 -5.569 -8.399 -4.306 732 HE2 PHE 78 HE2 PHE 78 -8.595 -5.684 -3.020 733 HZ PHE 78 HZ PHE 78 -6.271 -6.496 -2.912 734 H GLN 79 H GLN 79 -11.933 -7.235 -7.650 735 HA GLN 79 HA GLN 79 -10.893 -4.577 -8.241 736 HB2 GLN 79 HB3 GLN 79 -12.858 -5.505 -9.464 737 HB3 GLN 79 HB2 GLN 79 -13.751 -5.525 -7.953 738 HG2 GLN 79 HG3 GLN 79 -13.428 -3.050 -7.824 739 HG3 GLN 79 HG2 GLN 79 -12.748 -3.113 -9.452 740 HE21 GLN 79 HE21 GLN 79 -14.377 -1.869 -10.345 741 HE22 GLN 79 HE22 GLN 79 -15.994 -2.457 -10.548 742 H ASP 80 H ASP 80 -11.463 -2.742 -6.957 743 HA ASP 80 HA ASP 80 -12.693 -2.958 -4.404 744 HB2 ASP 80 HB3 ASP 80 -10.435 -4.043 -3.957 745 HB3 ASP 80 HB2 ASP 80 -9.709 -2.481 -4.303 746 H GLU 81 H GLU 81 -12.087 -0.817 -3.094 747 HA GLU 81 HA GLU 81 -12.677 1.320 -4.942 748 HB2 GLU 81 HB3 GLU 81 -12.301 1.401 -1.944 749 HB3 GLU 81 HB2 GLU 81 -12.952 2.696 -2.938 750 HG2 GLU 81 HG3 GLU 81 -14.702 0.884 -3.628 751 HG3 GLU 81 HG2 GLU 81 -14.200 0.124 -2.118 752 H ALA 82 H ALA 82 -11.203 2.594 -5.820 753 HA ALA 82 HA ALA 82 -8.477 2.626 -4.949 754 HB1 ALA 82 HB1 ALA 82 -8.173 4.269 -6.745 755 HB2 ALA 82 HB2 ALA 82 -9.926 4.368 -6.941 756 HB3 ALA 82 HB3 ALA 82 -9.082 2.862 -7.300 757 H LEU 83 H LEU 83 -7.303 4.369 -4.074 758 HA LEU 83 HA LEU 83 -8.458 6.116 -2.225 759 HB2 LEU 83 HB3 LEU 83 -5.896 6.435 -3.805 760 HB3 LEU 83 HB2 LEU 83 -6.347 7.457 -2.460 761 HG LEU 83 HG LEU 83 -4.737 5.927 -1.658 762 HD11 LEU 83 HD11 LEU 83 -6.544 6.335 -0.116 763 HD12 LEU 83 HD12 LEU 83 -5.951 4.683 0.061 764 HD13 LEU 83 HD13 LEU 83 -7.461 4.991 -0.796 765 HD21 LEU 83 HD21 LEU 83 -4.927 3.510 -1.841 766 HD22 LEU 83 HD22 LEU 83 -4.876 4.261 -3.437 767 HD23 LEU 83 HD23 LEU 83 -6.409 3.684 -2.779 768 H ASP 84 H ASP 84 -8.136 6.218 -5.585 769 HA ASP 84 HA ASP 84 -8.655 9.018 -5.977 770 HB2 ASP 84 HB3 ASP 84 -7.261 8.039 -7.583 771 HB3 ASP 84 HB2 ASP 84 -8.269 6.615 -7.732 772 H SER 85 H SER 85 -10.559 6.635 -4.925 773 HA SER 85 HA SER 85 -12.773 6.362 -4.635 774 HB2 SER 85 HB3 SER 85 -12.965 9.086 -5.929 775 HB3 SER 85 HB2 SER 85 -14.288 8.264 -5.101 776 HG SER 85 HG SER 85 -12.057 9.537 -4.066 777 H THR 86 H THR 86 -11.636 5.146 -6.855 778 HA THR 86 HA THR 86 -14.038 4.933 -8.535 779 HB THR 86 HB THR 86 -12.334 3.997 -10.276 780 HG1 THR 86 HG1 THR 86 -10.528 5.891 -9.370 781 HG21 THR 86 HG21 THR 86 -12.548 6.950 -9.691 782 HG22 THR 86 HG22 THR 86 -13.693 5.990 -10.628 783 HG23 THR 86 HG23 THR 86 -12.054 6.245 -11.229 784 H GLN 87 H GLN 87 -14.319 2.716 -9.482 785 HA GLN 87 HA GLN 87 -13.701 0.749 -7.407 786 HB2 GLN 87 HB3 GLN 87 -15.538 0.539 -9.805 787 HB3 GLN 87 HB2 GLN 87 -15.426 -0.611 -8.477 788 HG2 GLN 87 HG3 GLN 87 -16.310 2.253 -8.238 789 HG3 GLN 87 HG2 GLN 87 -17.379 0.848 -8.287 790 HE21 GLN 87 HE21 GLN 87 -15.069 2.639 -6.402 791 HE22 GLN 87 HE22 GLN 87 -15.405 1.864 -4.893 792 H HIS 88 H HIS 88 -11.557 0.289 -7.874 793 HA HIS 88 HA HIS 88 -10.863 -0.001 -10.710 794 HB2 HIS 88 HB3 HIS 88 -8.757 0.895 -10.239 795 HB3 HIS 88 HB2 HIS 88 -9.861 1.843 -9.252 796 HD1 HIS 88 HD1 HIS 88 -10.081 0.535 -6.665 797 HD2 HIS 88 HD2 HIS 88 -6.583 0.284 -8.877 798 HE1 HIS 88 HE1 HIS 88 -8.275 0.038 -4.996 799 HE2 HIS 88 HE2 HIS 88 -6.214 -0.349 -6.388 800 H LYS 89 H LYS 89 -9.340 -1.506 -11.390 801 HA LYS 89 HA LYS 89 -9.466 -4.078 -10.187 802 HB2 LYS 89 HB3 LYS 89 -9.313 -3.799 -12.598 803 HB3 LYS 89 HB2 LYS 89 -7.775 -2.967 -12.434 804 HG2 LYS 89 HG3 LYS 89 -6.886 -5.107 -11.404 805 HG3 LYS 89 HG2 LYS 89 -8.371 -5.871 -11.973 806 HD2 LYS 89 HD3 LYS 89 -6.340 -4.449 -13.691 807 HD3 LYS 89 HD2 LYS 89 -6.541 -6.195 -13.558 808 HE2 LYS 89 HE3 LYS 89 -8.558 -4.228 -14.634 809 HE3 LYS 89 HE2 LYS 89 -7.599 -5.368 -15.578 810 HZ1 LYS 89 HZ1 LYS 89 -9.758 -6.286 -15.283 811 HZ2 LYS 89 HZ2 LYS 89 -9.728 -6.014 -13.617 812 HZ3 LYS 89 HZ3 LYS 89 -8.703 -7.180 -14.296 813 H ILE 90 H ILE 90 -7.972 -5.169 -9.003 814 HA ILE 90 HA ILE 90 -5.388 -3.868 -8.449 815 HB ILE 90 HB ILE 90 -7.171 -5.253 -6.436 816 HG12 ILE 90 HG13 ILE 90 -6.288 -2.371 -6.642 817 HG13 ILE 90 HG12 ILE 90 -7.911 -2.983 -6.953 818 HG21 ILE 90 HG21 ILE 90 -4.835 -5.764 -6.029 819 HG22 ILE 90 HG22 ILE 90 -5.455 -4.672 -4.787 820 HG23 ILE 90 HG23 ILE 90 -4.432 -4.047 -6.080 821 HD11 ILE 90 HD11 ILE 90 -6.463 -3.050 -4.322 822 HD12 ILE 90 HD12 ILE 90 -8.078 -3.692 -4.624 823 HD13 ILE 90 HD13 ILE 90 -7.774 -1.960 -4.771 824 H THR 91 H THR 91 -3.656 -5.256 -8.313 825 HA THR 91 HA THR 91 -4.227 -8.122 -8.130 826 HB THR 91 HB THR 91 -2.143 -6.916 -9.948 827 HG1 THR 91 HG1 THR 91 -4.777 -7.498 -10.307 828 HG21 THR 91 HG21 THR 91 -1.467 -9.074 -9.029 829 HG22 THR 91 HG22 THR 91 -1.841 -9.216 -10.747 830 HG23 THR 91 HG23 THR 91 -2.998 -9.781 -9.542 831 H PHE 92 H PHE 92 -3.095 -9.099 -6.614 832 HA PHE 92 HA PHE 92 -0.820 -7.659 -5.415 833 HB2 PHE 92 HB3 PHE 92 -2.989 -9.310 -4.225 834 HB3 PHE 92 HB2 PHE 92 -1.382 -9.513 -3.538 835 HD1 PHE 92 HD1 PHE 92 -4.066 -7.070 -4.187 836 HD2 PHE 92 HD2 PHE 92 -0.428 -7.869 -2.141 837 HE1 PHE 92 HE1 PHE 92 -4.391 -5.053 -2.823 838 HE2 PHE 92 HE2 PHE 92 -0.747 -5.848 -0.771 839 HZ PHE 92 HZ PHE 92 -2.728 -4.441 -1.113 840 H ASP 93 H ASP 93 1.119 -8.713 -5.255 841 HA ASP 93 HA ASP 93 1.346 -11.533 -5.749 842 HB2 ASP 93 HB3 ASP 93 1.046 -10.672 -8.055 843 HB3 ASP 93 HB2 ASP 93 2.427 -9.606 -7.822 844 H LEU 94 H LEU 94 3.355 -12.319 -5.156 845 HA LEU 94 HA LEU 94 5.073 -10.413 -3.780 846 HB2 LEU 94 HB3 LEU 94 4.615 -13.310 -3.650 847 HB3 LEU 94 HB2 LEU 94 6.297 -12.839 -3.498 848 HG LEU 94 HG LEU 94 5.135 -13.115 -1.323 849 HD11 LEU 94 HD11 LEU 94 6.071 -10.314 -1.927 850 HD12 LEU 94 HD12 LEU 94 7.101 -11.684 -1.514 851 HD13 LEU 94 HD13 LEU 94 5.961 -11.049 -0.329 852 HD21 LEU 94 HD21 LEU 94 2.929 -12.338 -1.942 853 HD22 LEU 94 HD22 LEU 94 3.566 -10.724 -2.266 854 HD23 LEU 94 HD23 LEU 94 3.564 -11.357 -0.619 855 H LYS 95 H LYS 95 6.761 -9.552 -4.731 856 HA LYS 95 HA LYS 95 7.532 -10.582 -7.359 857 HB2 LYS 95 HB3 LYS 95 6.936 -8.146 -6.986 858 HB3 LYS 95 HB2 LYS 95 8.399 -8.011 -6.022 859 HG2 LYS 95 HG3 LYS 95 9.767 -8.516 -7.924 860 HG3 LYS 95 HG2 LYS 95 8.342 -8.852 -8.909 861 HD2 LYS 95 HD3 LYS 95 7.622 -6.490 -8.536 862 HD3 LYS 95 HD2 LYS 95 9.168 -6.198 -7.739 863 HE2 LYS 95 HE3 LYS 95 9.226 -5.474 -10.069 864 HE3 LYS 95 HE2 LYS 95 10.346 -6.806 -9.787 865 HZ1 LYS 95 HZ1 LYS 95 9.087 -7.073 -11.843 866 HZ2 LYS 95 HZ2 LYS 95 7.639 -7.082 -10.972 867 HZ3 LYS 95 HZ3 LYS 95 8.765 -8.327 -10.756 868 H ASP 96 H ASP 96 9.057 -9.341 -4.418 869 HA ASP 96 HA ASP 96 11.155 -11.380 -4.716 870 HB2 ASP 96 HB3 ASP 96 11.401 -8.603 -3.528 871 HB3 ASP 96 HB2 ASP 96 12.669 -9.816 -3.524 872 HA PRO 97 HA PRO 97 9.948 -12.927 -0.794 873 HB2 PRO 97 HB3 PRO 97 12.704 -12.891 0.240 874 HB3 PRO 97 HB2 PRO 97 11.658 -14.270 -0.115 875 HG2 PRO 97 HG3 PRO 97 13.776 -13.703 -1.649 876 HG3 PRO 97 HG2 PRO 97 12.270 -14.325 -2.348 877 HD2 PRO 97 HD3 PRO 97 13.280 -11.503 -2.244 878 HD3 PRO 97 HD2 PRO 97 12.546 -12.377 -3.604 879 H ASN 98 H ASN 98 11.053 -9.889 -1.051 880 HA ASN 98 HA ASN 98 10.276 -9.213 1.671 881 HB2 ASN 98 HB3 ASN 98 12.868 -8.308 0.399 882 HB3 ASN 98 HB2 ASN 98 12.155 -7.539 1.811 883 HD21 ASN 98 HD21 ASN 98 13.874 -10.269 0.598 884 HD22 ASN 98 HD22 ASN 98 14.208 -11.001 2.131 885 H THR 99 H THR 99 9.181 -9.008 -1.115 886 HA THR 99 HA THR 99 8.355 -6.238 -0.897 887 HB THR 99 HB THR 99 9.614 -7.221 -3.467 888 HG1 THR 99 HG1 THR 99 10.623 -5.946 -1.263 889 HG21 THR 99 HG21 THR 99 8.462 -4.525 -2.725 890 HG22 THR 99 HG22 THR 99 7.733 -5.688 -3.832 891 HG23 THR 99 HG23 THR 99 9.266 -4.921 -4.245 892 H LEU 100 H LEU 100 6.256 -6.606 -0.727 893 HA LEU 100 HA LEU 100 4.788 -8.380 -2.499 894 HB2 LEU 100 HB3 LEU 100 4.325 -7.304 -0.004 895 HB3 LEU 100 HB2 LEU 100 3.341 -6.278 -1.022 896 HG LEU 100 HG LEU 100 3.086 -9.254 -0.635 897 HD11 LEU 100 HD11 LEU 100 2.155 -7.806 1.114 898 HD12 LEU 100 HD12 LEU 100 0.906 -8.689 0.238 899 HD13 LEU 100 HD13 LEU 100 1.182 -6.982 -0.105 900 HD21 LEU 100 HD21 LEU 100 1.568 -7.481 -2.545 901 HD22 LEU 100 HD22 LEU 100 1.192 -9.167 -2.180 902 HD23 LEU 100 HD23 LEU 100 2.702 -8.753 -2.990 903 H THR 101 H THR 101 3.344 -7.562 -4.219 904 HA THR 101 HA THR 101 3.680 -4.695 -4.755 905 HB THR 101 HB THR 101 3.510 -5.295 -7.220 906 HG1 THR 101 HG1 THR 101 3.778 -7.847 -6.067 907 HG21 THR 101 HG21 THR 101 5.967 -6.231 -5.743 908 HG22 THR 101 HG22 THR 101 5.577 -4.554 -6.116 909 HG23 THR 101 HG23 THR 101 5.890 -5.694 -7.423 910 H GLU 102 H GLU 102 1.903 -3.584 -5.195 911 HA GLU 102 HA GLU 102 -0.583 -5.078 -5.756 912 HB2 GLU 102 HB3 GLU 102 -0.682 -3.913 -3.571 913 HB3 GLU 102 HB2 GLU 102 -0.335 -2.389 -4.377 914 HG2 GLU 102 HG3 GLU 102 -2.424 -2.895 -5.783 915 HG3 GLU 102 HG2 GLU 102 -2.801 -4.080 -4.539 916 H THR 103 H THR 103 -0.756 -4.953 -7.934 917 HA THR 103 HA THR 103 -0.158 -2.458 -9.296 918 HB THR 103 HB THR 103 -1.299 -5.026 -10.429 919 HG1 THR 103 HG1 THR 103 1.391 -4.080 -10.256 920 HG21 THR 103 HG21 THR 103 -1.682 -3.055 -11.840 921 HG22 THR 103 HG22 THR 103 -0.507 -4.143 -12.577 922 HG23 THR 103 HG23 THR 103 0.039 -2.670 -11.774 923 H HIS 104 H HIS 104 -1.653 -0.937 -8.935 924 HA HIS 104 HA HIS 104 -4.454 -1.778 -8.876 925 HB2 HIS 104 HB3 HIS 104 -4.874 0.453 -7.759 926 HB3 HIS 104 HB2 HIS 104 -3.978 -0.729 -6.824 927 HD1 HIS 104 HD1 HIS 104 -3.907 2.722 -7.868 928 HD2 HIS 104 HD2 HIS 104 -1.082 -0.122 -6.790 929 HE1 HIS 104 HE1 HIS 104 -1.891 4.027 -7.156 930 HE2 HIS 104 HE2 HIS 104 -0.210 2.292 -6.442 931 H ILE 105 H ILE 105 -5.396 -1.629 -10.698 932 HA ILE 105 HA ILE 105 -4.562 0.378 -12.655 933 HB ILE 105 HB ILE 105 -6.006 -2.246 -12.883 934 HG12 ILE 105 HG13 ILE 105 -3.419 -1.129 -13.950 935 HG13 ILE 105 HG12 ILE 105 -3.642 -2.474 -12.838 936 HG21 ILE 105 HG21 ILE 105 -6.256 -1.850 -15.296 937 HG22 ILE 105 HG22 ILE 105 -5.705 -0.189 -15.070 938 HG23 ILE 105 HG23 ILE 105 -7.216 -0.724 -14.334 939 HD11 ILE 105 HD11 ILE 105 -4.453 -2.437 -15.728 940 HD12 ILE 105 HD12 ILE 105 -4.631 -3.794 -14.616 941 HD13 ILE 105 HD13 ILE 105 -3.023 -3.225 -15.063 942 H LYS 106 H LYS 106 -5.757 2.165 -12.811 943 HA LYS 106 HA LYS 106 -8.380 2.484 -11.933 944 HB2 LYS 106 HB3 LYS 106 -6.793 3.959 -14.026 945 HB3 LYS 106 HB2 LYS 106 -8.421 4.435 -13.566 946 HG2 LYS 106 HG3 LYS 106 -7.633 4.703 -11.234 947 HG3 LYS 106 HG2 LYS 106 -5.994 4.354 -11.789 948 HD2 LYS 106 HD3 LYS 106 -5.993 6.284 -13.206 949 HD3 LYS 106 HD2 LYS 106 -7.703 6.575 -12.892 950 HE2 LYS 106 HE3 LYS 106 -7.156 6.966 -10.512 951 HE3 LYS 106 HE2 LYS 106 -5.448 6.766 -10.901 952 HZ1 LYS 106 HZ1 LYS 106 -7.245 8.849 -12.010 953 HZ2 LYS 106 HZ2 LYS 106 -5.611 8.650 -12.413 954 HZ3 LYS 106 HZ3 LYS 106 -6.053 9.094 -10.837 955 H VAL 107 H VAL 107 -10.025 1.354 -12.564 956 HA VAL 107 HA VAL 107 -10.334 0.066 -15.034 957 HB VAL 107 HB VAL 107 -12.764 -0.083 -14.461 958 HG11 VAL 107 HG11 VAL 107 -11.268 -1.849 -13.821 959 HG12 VAL 107 HG12 VAL 107 -12.360 -1.528 -12.473 960 HG13 VAL 107 HG13 VAL 107 -10.703 -0.925 -12.432 961 HG21 VAL 107 HG21 VAL 107 -13.330 0.627 -12.150 962 HG22 VAL 107 HG22 VAL 107 -13.006 1.957 -13.265 963 HG23 VAL 107 HG23 VAL 107 -11.782 1.470 -12.100 964 H ASP 108 H ASP 108 -10.809 3.338 -14.184 965 HA ASP 108 HA ASP 108 -12.661 4.036 -16.244 966 HB2 ASP 108 HB3 ASP 108 -12.376 5.431 -14.235 967 HB3 ASP 108 HB2 ASP 108 -10.713 5.771 -14.702 968 H ASP 109 H ASP 109 -9.170 4.204 -15.867 969 HA ASP 109 HA ASP 109 -8.791 3.976 -18.707 970 HB2 ASP 109 HB3 ASP 109 -8.893 6.411 -18.506 971 HB3 ASP 109 HB2 ASP 109 -7.712 6.374 -17.198 972 HA PRO 110 HA PRO 110 -5.923 1.449 -16.399 973 HB2 PRO 110 HB3 PRO 110 -5.512 -0.351 -18.338 974 HB3 PRO 110 HB2 PRO 110 -7.008 -0.300 -17.404 975 HG2 PRO 110 HG3 PRO 110 -6.456 0.834 -20.124 976 HG3 PRO 110 HG2 PRO 110 -7.839 -0.132 -19.578 977 HD2 PRO 110 HD3 PRO 110 -7.953 2.552 -19.767 978 HD3 PRO 110 HD2 PRO 110 -8.839 1.647 -18.531 979 H THR 111 H THR 111 -5.131 3.824 -18.419 980 HA THR 111 HA THR 111 -2.355 2.858 -18.586 981 HB THR 111 HB THR 111 -1.911 4.586 -20.250 982 HG1 THR 111 HG1 THR 111 -4.495 5.416 -19.552 983 HG21 THR 111 HG21 THR 111 -3.243 3.656 -22.077 984 HG22 THR 111 HG22 THR 111 -4.338 2.927 -20.901 985 HG23 THR 111 HG23 THR 111 -2.661 2.393 -20.993 986 H ASP 112 H ASP 112 -4.413 4.768 -16.818 987 HA ASP 112 HA ASP 112 -2.281 6.579 -15.907 988 HB2 ASP 112 HB3 ASP 112 -4.582 7.463 -16.538 989 HB3 ASP 112 HB2 ASP 112 -5.209 6.611 -15.134 990 H VAL 113 H VAL 113 -2.277 3.771 -15.357 991 HA VAL 113 HA VAL 113 -3.367 3.298 -12.737 992 HB VAL 113 HB VAL 113 -2.577 1.042 -13.035 993 HG11 VAL 113 HG11 VAL 113 -3.725 2.152 -15.581 994 HG12 VAL 113 HG12 VAL 113 -4.636 1.662 -14.155 995 HG13 VAL 113 HG13 VAL 113 -3.756 0.459 -15.094 996 HG21 VAL 113 HG21 VAL 113 -1.303 0.365 -15.018 997 HG22 VAL 113 HG22 VAL 113 -0.400 1.506 -14.023 998 HG23 VAL 113 HG23 VAL 113 -1.180 2.053 -15.507 999 H GLU 114 H GLU 114 -1.719 1.822 -11.361 1000 HA GLU 114 HA GLU 114 1.021 2.566 -11.453 1001 HB2 GLU 114 HB3 GLU 114 -0.668 4.327 -9.996 1002 HB3 GLU 114 HB2 GLU 114 0.294 3.425 -8.829 1003 HG2 GLU 114 HG3 GLU 114 1.339 5.051 -11.138 1004 HG3 GLU 114 HG2 GLU 114 1.410 5.477 -9.425 1005 H THR 115 H THR 115 2.179 1.751 -9.437 1006 HA THR 115 HA THR 115 0.801 -0.579 -8.295 1007 HB THR 115 HB THR 115 3.558 -0.631 -9.548 1008 HG1 THR 115 HG1 THR 115 2.175 -0.824 -11.213 1009 HG21 THR 115 HG21 THR 115 3.428 -2.095 -7.592 1010 HG22 THR 115 HG22 THR 115 3.507 -3.041 -9.079 1011 HG23 THR 115 HG23 THR 115 1.968 -2.844 -8.241 1012 H TYR 116 H TYR 116 1.153 -0.842 -6.185 1013 HA TYR 116 HA TYR 116 3.201 0.778 -4.831 1014 HB2 TYR 116 HB3 TYR 116 1.162 -1.111 -3.613 1015 HB3 TYR 116 HB2 TYR 116 2.209 -0.006 -2.738 1016 HD1 TYR 116 HD1 TYR 116 1.895 2.554 -3.840 1017 HD2 TYR 116 HD2 TYR 116 -1.034 -0.506 -3.514 1018 HE1 TYR 116 HE1 TYR 116 0.122 4.258 -3.827 1019 HE2 TYR 116 HE2 TYR 116 -2.813 1.187 -3.505 1020 HH TYR 116 HH TYR 116 -2.984 3.668 -2.871 1021 H GLU 117 H GLU 117 4.921 -0.341 -3.527 1022 HA GLU 117 HA GLU 117 4.996 -3.222 -3.946 1023 HB2 GLU 117 HB3 GLU 117 7.436 -1.436 -4.096 1024 HB3 GLU 117 HB2 GLU 117 7.381 -3.171 -4.342 1025 HG2 GLU 117 HG3 GLU 117 5.930 -2.719 -6.352 1026 HG3 GLU 117 HG2 GLU 117 6.329 -1.016 -6.144 1027 H TYR 118 H TYR 118 4.524 -3.793 -1.903 1028 HA TYR 118 HA TYR 118 5.359 -2.185 0.339 1029 HB2 TYR 118 HB3 TYR 118 3.888 -4.827 0.267 1030 HB3 TYR 118 HB2 TYR 118 4.085 -3.795 1.679 1031 HD1 TYR 118 HD1 TYR 118 2.994 -1.537 1.695 1032 HD2 TYR 118 HD2 TYR 118 2.141 -4.420 -1.305 1033 HE1 TYR 118 HE1 TYR 118 0.935 -0.344 1.128 1034 HE2 TYR 118 HE2 TYR 118 0.093 -3.235 -1.875 1035 HH TYR 118 HH TYR 118 -1.315 -1.675 -1.227 1036 H ARG 119 H ARG 119 7.523 -2.320 0.590 1037 HA ARG 119 HA ARG 119 8.701 -4.989 0.923 1038 HB2 ARG 119 HB3 ARG 119 10.873 -3.902 0.746 1039 HB3 ARG 119 HB2 ARG 119 9.866 -3.482 -0.636 1040 HG2 ARG 119 HG3 ARG 119 9.694 -1.307 -0.030 1041 HG3 ARG 119 HG2 ARG 119 9.799 -1.669 1.693 1042 HD2 ARG 119 HD3 ARG 119 11.774 -0.485 0.941 1043 HD3 ARG 119 HD2 ARG 119 12.185 -2.116 1.457 1044 HE ARG 119 HE ARG 119 11.756 -2.269 -1.262 1045 HH11 ARG 119 HH11 ARG 119 13.932 -0.543 0.867 1046 HH12 ARG 119 HH12 ARG 119 15.228 -0.495 -0.280 1047 HH21 ARG 119 HH21 ARG 119 13.459 -2.232 -2.769 1048 HH22 ARG 119 HH22 ARG 119 14.955 -1.458 -2.357 1049 H ARG 120 H ARG 120 10.098 -5.361 2.749 1050 HA ARG 120 HA ARG 120 9.343 -3.739 5.079 1051 HB2 ARG 120 HB3 ARG 120 8.737 -6.153 5.178 1052 HB3 ARG 120 HB2 ARG 120 10.439 -6.560 5.016 1053 HG2 ARG 120 HG3 ARG 120 9.898 -6.747 7.308 1054 HG3 ARG 120 HG2 ARG 120 10.850 -5.274 7.128 1055 HD2 ARG 120 HD3 ARG 120 8.789 -3.946 7.141 1056 HD3 ARG 120 HD2 ARG 120 7.845 -5.424 7.326 1057 HE ARG 120 HE ARG 120 9.874 -4.860 9.353 1058 HH11 ARG 120 HH11 ARG 120 6.496 -4.904 8.446 1059 HH12 ARG 120 HH12 ARG 120 5.920 -4.829 10.078 1060 HH21 ARG 120 HH21 ARG 120 9.114 -4.776 11.512 1061 HH22 ARG 120 HH22 ARG 120 7.408 -4.741 11.821 1062 H ASP 121 H ASP 121 10.845 -2.320 5.640 1063 HA ASP 121 HA ASP 121 13.666 -3.056 5.232 1064 HB2 ASP 121 HB3 ASP 121 12.771 -1.086 3.892 1065 HB3 ASP 121 HB2 ASP 121 12.590 -0.240 5.424 1066 H GLY 122 H GLY 122 13.579 -4.154 7.247 1067 HA2 GLY 122 HA3 GLY 122 14.297 -4.176 9.455 1068 HA3 GLY 122 HA2 GLY 122 14.214 -2.419 9.472 1069 H ASP 123 H ASP 123 12.777 -1.664 10.852 1070 HA ASP 123 HA ASP 123 10.544 -3.366 11.655 1071 HB2 ASP 123 HB3 ASP 123 11.582 -0.764 12.788 1072 HB3 ASP 123 HB2 ASP 123 10.181 -1.625 13.414 1073 H TYR 124 H TYR 124 11.035 -1.329 9.219 1074 HA TYR 124 HA TYR 124 8.431 -0.008 9.503 1075 HB2 TYR 124 HB3 TYR 124 10.915 0.866 8.023 1076 HB3 TYR 124 HB2 TYR 124 9.349 1.654 7.841 1077 HD1 TYR 124 HD1 TYR 124 12.193 1.098 10.073 1078 HD2 TYR 124 HD2 TYR 124 8.396 2.956 9.646 1079 HE1 TYR 124 HE1 TYR 124 12.633 2.436 12.082 1080 HE2 TYR 124 HE2 TYR 124 8.817 4.301 11.659 1081 HH TYR 124 HH TYR 124 11.855 4.621 13.056 1082 H LEU 125 H LEU 125 6.879 -0.528 8.161 1083 HA LEU 125 HA LEU 125 7.352 -2.150 5.835 1084 HB2 LEU 125 HB3 LEU 125 5.312 -2.342 7.286 1085 HB3 LEU 125 HB2 LEU 125 4.858 -0.723 6.816 1086 HG LEU 125 HG LEU 125 3.621 -2.648 5.706 1087 HD11 LEU 125 HD11 LEU 125 4.964 -0.727 3.821 1088 HD12 LEU 125 HD12 LEU 125 3.611 -0.312 4.874 1089 HD13 LEU 125 HD13 LEU 125 3.400 -1.525 3.613 1090 HD21 LEU 125 HD21 LEU 125 5.552 -4.065 5.279 1091 HD22 LEU 125 HD22 LEU 125 6.194 -2.860 4.162 1092 HD23 LEU 125 HD23 LEU 125 4.684 -3.689 3.792 1093 H VAL 126 H VAL 126 7.948 -1.251 3.919 1094 HA VAL 126 HA VAL 126 7.785 1.683 3.829 1095 HB VAL 126 HB VAL 126 9.926 -0.083 2.639 1096 HG11 VAL 126 HG11 VAL 126 9.461 1.832 1.197 1097 HG12 VAL 126 HG12 VAL 126 11.030 2.001 1.985 1098 HG13 VAL 126 HG13 VAL 126 9.644 2.919 2.574 1099 HG21 VAL 126 HG21 VAL 126 10.135 0.157 5.046 1100 HG22 VAL 126 HG22 VAL 126 10.012 1.910 4.898 1101 HG23 VAL 126 HG23 VAL 126 11.405 1.066 4.226 1102 H MET 127 H MET 127 6.545 2.471 2.367 1103 HA MET 127 HA MET 127 5.507 0.880 0.209 1104 HB2 MET 127 HB3 MET 127 4.009 2.480 1.131 1105 HB3 MET 127 HB2 MET 127 5.183 3.778 0.972 1106 HG2 MET 127 HG3 MET 127 3.496 4.011 -0.713 1107 HG3 MET 127 HG2 MET 127 5.022 3.572 -1.480 1108 HE1 MET 127 HE1 MET 127 2.296 1.463 0.435 1109 HE2 MET 127 HE2 MET 127 1.369 0.853 -0.936 1110 HE3 MET 127 HE3 MET 127 1.418 2.584 -0.605 1111 H LYS 128 H LYS 128 6.431 0.625 -1.677 1112 HA LYS 128 HA LYS 128 8.485 2.545 -2.520 1113 HB2 LYS 128 HB3 LYS 128 9.654 0.554 -2.118 1114 HB3 LYS 128 HB2 LYS 128 8.323 -0.453 -2.667 1115 HG2 LYS 128 HG3 LYS 128 10.012 -0.638 -4.285 1116 HG3 LYS 128 HG2 LYS 128 8.779 0.408 -4.982 1117 HD2 LYS 128 HD3 LYS 128 10.168 2.366 -4.244 1118 HD3 LYS 128 HD2 LYS 128 11.437 1.214 -3.816 1119 HE2 LYS 128 HE3 LYS 128 10.292 1.822 -6.527 1120 HE3 LYS 128 HE2 LYS 128 11.965 1.950 -5.991 1121 HZ1 LYS 128 HZ1 LYS 128 12.021 -0.476 -5.785 1122 HZ2 LYS 128 HZ2 LYS 128 11.672 0.007 -7.365 1123 HZ3 LYS 128 HZ3 LYS 128 10.433 -0.572 -6.368 1124 H MET 129 H MET 129 7.582 3.787 -4.024 1125 HA MET 129 HA MET 129 6.012 2.489 -6.131 1126 HB2 MET 129 HB3 MET 129 4.517 3.477 -4.357 1127 HB3 MET 129 HB2 MET 129 5.170 5.054 -4.769 1128 HG2 MET 129 HG3 MET 129 4.164 5.060 -6.862 1129 HG3 MET 129 HG2 MET 129 3.903 3.317 -6.847 1130 HE1 MET 129 HE1 MET 129 1.493 6.261 -4.214 1131 HE2 MET 129 HE2 MET 129 2.728 6.783 -5.361 1132 HE3 MET 129 HE3 MET 129 3.189 5.863 -3.927 1133 H SER 130 H SER 130 6.331 3.343 -8.157 1134 HA SER 130 HA SER 130 7.922 5.771 -8.384 1135 HB2 SER 130 HB3 SER 130 9.472 4.557 -10.005 1136 HB3 SER 130 HB2 SER 130 9.687 4.220 -8.290 1137 HG SER 130 HG SER 130 8.044 2.419 -8.903 1138 H TRP 131 H TRP 131 7.353 6.978 -9.992 1139 HA TRP 131 HA TRP 131 5.963 5.822 -12.302 1140 HB2 TRP 131 HB3 TRP 131 4.203 6.583 -10.810 1141 HB3 TRP 131 HB2 TRP 131 5.003 8.134 -10.602 1142 HD1 TRP 131 HD1 TRP 131 4.560 9.980 -12.383 1143 HE1 TRP 131 HE1 TRP 131 2.955 10.180 -14.381 1144 HE3 TRP 131 HE3 TRP 131 3.106 5.095 -12.720 1145 HZ2 TRP 131 HZ2 TRP 131 1.282 8.478 -15.896 1146 HZ3 TRP 131 HZ3 TRP 131 1.498 4.464 -14.471 1147 HH2 TRP 131 HH2 TRP 131 0.605 6.121 -16.024 1148 H LYS 132 H LYS 132 6.651 6.616 -14.174 1149 HA LYS 132 HA LYS 132 7.963 7.697 -15.645 1150 HB2 LYS 132 HB3 LYS 132 6.944 9.957 -13.952 1151 HB3 LYS 132 HB2 LYS 132 7.988 10.253 -15.335 1152 HG2 LYS 132 HG3 LYS 132 6.392 9.361 -16.842 1153 HG3 LYS 132 HG2 LYS 132 5.413 8.710 -15.527 1154 HD2 LYS 132 HD3 LYS 132 4.459 10.750 -16.517 1155 HD3 LYS 132 HD2 LYS 132 4.851 10.946 -14.808 1156 HE2 LYS 132 HE3 LYS 132 5.511 12.881 -16.126 1157 HE3 LYS 132 HE2 LYS 132 6.895 12.094 -15.379 1158 HZ1 LYS 132 HZ1 LYS 132 7.380 12.701 -17.650 1159 HZ2 LYS 132 HZ2 LYS 132 6.039 11.838 -18.212 1160 HZ3 LYS 132 HZ3 LYS 132 7.342 11.014 -17.515 1161 H GLY 133 H GLY 133 9.443 6.427 -13.767 1162 HA2 GLY 133 HA3 GLY 133 11.691 6.270 -13.274 1163 HA3 GLY 133 HA2 GLY 133 11.911 7.880 -13.936 1164 H VAL 134 H VAL 134 9.566 8.499 -11.899 1165 HA VAL 134 HA VAL 134 11.424 9.392 -9.849 1166 HB VAL 134 HB VAL 134 8.466 9.956 -10.099 1167 HG11 VAL 134 HG11 VAL 134 10.604 11.288 -8.443 1168 HG12 VAL 134 HG12 VAL 134 9.323 10.239 -7.837 1169 HG13 VAL 134 HG13 VAL 134 8.919 11.798 -8.556 1170 HG21 VAL 134 HG21 VAL 134 10.843 11.572 -11.010 1171 HG22 VAL 134 HG22 VAL 134 9.184 12.163 -10.959 1172 HG23 VAL 134 HG23 VAL 134 9.611 10.831 -12.033 1173 H SER 135 H SER 135 11.891 7.926 -8.350 1174 HA SER 135 HA SER 135 9.804 6.159 -7.346 1175 HB2 SER 135 HB3 SER 135 12.182 5.552 -6.034 1176 HB3 SER 135 HB2 SER 135 11.519 4.712 -7.435 1177 HG SER 135 HG SER 135 13.756 6.132 -7.274 1178 H THR 136 H THR 136 9.035 6.222 -5.324 1179 HA THR 136 HA THR 136 10.254 8.098 -3.413 1180 HB THR 136 HB THR 136 8.307 9.246 -4.228 1181 HG1 THR 136 HG1 THR 136 8.624 9.225 -1.914 1182 HG21 THR 136 HG21 THR 136 7.133 7.330 -5.208 1183 HG22 THR 136 HG22 THR 136 6.067 8.289 -4.184 1184 HG23 THR 136 HG23 THR 136 6.715 6.759 -3.591 1185 H SER 137 H SER 137 10.572 7.263 -1.424 1186 HA SER 137 HA SER 137 9.258 4.705 -0.794 1187 HB2 SER 137 HB3 SER 137 11.886 5.820 0.219 1188 HB3 SER 137 HB2 SER 137 11.147 4.320 0.783 1189 HG SER 137 HG SER 137 11.782 4.829 -1.933 1190 H ARG 138 H ARG 138 7.806 4.744 0.775 1191 HA ARG 138 HA ARG 138 7.847 7.024 2.643 1192 HB2 ARG 138 HB3 ARG 138 5.969 7.046 1.026 1193 HB3 ARG 138 HB2 ARG 138 5.450 5.489 1.646 1194 HG2 ARG 138 HG3 ARG 138 4.688 6.376 3.628 1195 HG3 ARG 138 HG2 ARG 138 5.714 7.809 3.501 1196 HD2 ARG 138 HD3 ARG 138 3.264 8.200 3.070 1197 HD3 ARG 138 HD2 ARG 138 4.350 8.741 1.792 1198 HE ARG 138 HE ARG 138 2.507 6.460 1.693 1199 HH11 ARG 138 HH11 ARG 138 4.965 8.397 0.118 1200 HH12 ARG 138 HH12 ARG 138 4.580 7.839 -1.474 1201 HH21 ARG 138 HH21 ARG 138 1.999 5.693 -0.404 1202 HH22 ARG 138 HH22 ARG 138 2.884 6.306 -1.777 1203 H TYR 139 H TYR 139 7.805 6.578 4.773 1204 HA TYR 139 HA TYR 139 8.320 3.757 5.355 1205 HB2 TYR 139 HB3 TYR 139 9.166 6.223 6.891 1206 HB3 TYR 139 HB2 TYR 139 9.684 4.568 7.207 1207 HD1 TYR 139 HD1 TYR 139 9.927 7.378 4.815 1208 HD2 TYR 139 HD2 TYR 139 11.429 3.554 5.921 1209 HE1 TYR 139 HE1 TYR 139 11.786 7.660 3.233 1210 HE2 TYR 139 HE2 TYR 139 13.294 3.828 4.342 1211 HH TYR 139 HH TYR 139 13.948 6.846 2.755 1212 H TYR 140 H TYR 140 6.766 2.696 6.286 1213 HA TYR 140 HA TYR 140 4.975 4.073 8.174 1214 HB2 TYR 140 HB3 TYR 140 4.561 1.494 6.637 1215 HB3 TYR 140 HB2 TYR 140 3.424 2.172 7.794 1216 HD1 TYR 140 HD1 TYR 140 2.407 4.455 7.270 1217 HD2 TYR 140 HD2 TYR 140 4.507 2.130 4.394 1218 HE1 TYR 140 HE1 TYR 140 1.347 5.735 5.457 1219 HE2 TYR 140 HE2 TYR 140 3.455 3.406 2.586 1220 HH TYR 140 HH TYR 140 1.837 6.317 3.058 1221 H LYS 141 H LYS 141 4.628 3.156 10.189 1222 HA LYS 141 HA LYS 141 6.097 0.718 10.831 1223 HB2 LYS 141 HB3 LYS 141 6.953 1.658 12.912 1224 HB3 LYS 141 HB2 LYS 141 7.568 2.541 11.531 1225 HG2 LYS 141 HG3 LYS 141 7.065 4.239 12.993 1226 HG3 LYS 141 HG2 LYS 141 5.594 4.163 12.018 1227 HD2 LYS 141 HD3 LYS 141 5.089 4.337 14.407 1228 HD3 LYS 141 HD2 LYS 141 4.510 2.834 13.712 1229 HE2 LYS 141 HE3 LYS 141 6.278 1.592 14.668 1230 HE3 LYS 141 HE2 LYS 141 7.131 3.055 15.156 1231 HZ1 LYS 141 HZ1 LYS 141 4.503 2.171 16.220 1232 HZ2 LYS 141 HZ2 LYS 141 5.370 3.535 16.717 1233 HZ3 LYS 141 HZ3 LYS 141 5.986 1.990 17.013 1234 H LYS 142 H LYS 142 5.257 -0.243 12.869 1235 HA LYS 142 HA LYS 142 2.598 -0.758 12.699 1236 HB2 LYS 142 HB3 LYS 142 4.463 -1.859 14.088 1237 HB3 LYS 142 HB2 LYS 142 3.983 -0.756 15.365 1238 HG2 LYS 142 HG3 LYS 142 1.843 -2.365 14.108 1239 HG3 LYS 142 HG2 LYS 142 3.002 -3.215 15.132 1240 HD2 LYS 142 HD3 LYS 142 2.512 -1.740 16.974 1241 HD3 LYS 142 HD2 LYS 142 1.446 -0.772 15.958 1242 HE2 LYS 142 HE3 LYS 142 -0.039 -2.688 15.686 1243 HE3 LYS 142 HE2 LYS 142 1.035 -3.666 16.688 1244 HZ1 LYS 142 HZ1 LYS 142 -0.316 -1.190 17.610 1245 HZ2 LYS 142 HZ2 LYS 142 0.587 -2.267 18.555 1246 HZ3 LYS 142 HZ3 LYS 142 -0.891 -2.756 17.901 1247 H GLN 143 H GLN 143 0.638 -0.031 13.693 1248 HA GLN 143 HA GLN 143 0.460 2.585 14.720 1249 HB2 GLN 143 HB3 GLN 143 -1.373 0.219 14.663 1250 HB3 GLN 143 HB2 GLN 143 -1.810 1.619 15.627 1251 HG2 GLN 143 HG3 GLN 143 -1.101 1.833 12.726 1252 HG3 GLN 143 HG2 GLN 143 -2.733 1.457 13.275 1253 HE21 GLN 143 HE21 GLN 143 -1.693 3.752 11.827 1254 HE22 GLN 143 HE22 GLN 143 -2.152 5.138 12.753 1255 H21 OLA1001 H21 OLA1001 -1.646 5.992 -0.856 1256 H22 OLA1001 H22 OLA1001 -0.003 6.185 -1.470 1257 H31 OLA1001 H31 OLA1001 0.543 7.638 0.406 1258 H32 OLA1001 H32 OLA1001 -1.080 7.421 1.063 1259 H41 OLA1001 H41 OLA1001 -0.570 8.529 -1.684 1260 H42 OLA1001 H42 OLA1001 -0.681 9.548 -0.249 1261 H51 OLA1001 H51 OLA1001 -2.852 7.598 -0.932 1262 H52 OLA1001 H52 OLA1001 -2.797 9.196 -1.673 1263 H61 OLA1001 H61 OLA1001 -2.962 10.274 0.448 1264 H62 OLA1001 H62 OLA1001 -2.745 8.747 1.303 1265 H71 OLA1001 H71 OLA1001 -5.093 9.508 1.283 1266 H72 OLA1001 H72 OLA1001 -4.868 7.941 0.509 1267 H81 OLA1001 H81 OLA1001 -6.394 9.293 -0.775 1268 H82 OLA1001 H82 OLA1001 -4.918 8.987 -1.674 1269 H9 OLA1001 H9 OLA1001 -4.421 11.476 -0.552 1270 H10 OLA1001 H10 OLA1001 -5.746 12.706 -2.102 1271 H111 OLA1001 H111 OLA1001 -7.947 11.430 -2.425 1272 H112 OLA1001 H112 OLA1001 -6.988 9.987 -2.693 1273 H121 OLA1001 H121 OLA1001 -6.980 12.457 -4.414 1274 H122 OLA1001 H122 OLA1001 -7.775 10.928 -4.790 1275 H131 OLA1001 H131 OLA1001 -4.809 11.268 -4.360 1276 H132 OLA1001 H132 OLA1001 -5.598 11.204 -5.940 1277 H141 OLA1001 H141 OLA1001 -6.377 8.948 -5.510 1278 H142 OLA1001 H142 OLA1001 -5.713 9.011 -3.872 1279 H151 OLA1001 H151 OLA1001 -4.152 9.100 -6.448 1280 H152 OLA1001 H152 OLA1001 -4.224 7.759 -5.305 1281 H161 OLA1001 H161 OLA1001 -3.236 9.282 -3.576 1282 H162 OLA1001 H162 OLA1001 -3.025 10.485 -4.846 1283 H171 OLA1001 H171 OLA1001 -1.574 8.995 -6.073 1284 H172 OLA1001 H172 OLA1001 -1.836 7.720 -4.884 1285 H181 OLA1001 H181 OLA1001 -0.065 8.453 -3.785 1286 H182 OLA1001 H182 OLA1001 -0.954 9.946 -3.440 1287 H183 OLA1001 H183 OLA1001 0.083 9.849 -4.878 Start of MODEL 7 1 H1 MET -11 H1 MET -11 17.487 -27.494 -12.904 2 H2 MET -11 H2 MET -11 16.238 -27.491 -11.766 3 H3 MET -11 H3 MET -11 16.492 -28.854 -12.731 4 HA MET -11 HA MET -11 17.315 -29.282 -10.554 5 HB2 MET -11 HB3 MET -11 19.508 -28.801 -12.577 6 HB3 MET -11 HB2 MET -11 19.727 -29.707 -11.089 7 HG2 MET -11 HG3 MET -11 18.028 -31.312 -11.834 8 HG3 MET -11 HG2 MET -11 17.861 -30.417 -13.342 9 HE1 MET -11 HE1 MET -11 20.898 -29.613 -13.988 10 HE2 MET -11 HE2 MET -11 19.733 -30.223 -15.162 11 HE3 MET -11 HE3 MET -11 21.329 -30.961 -15.041 12 H ARG -10 H ARG -10 18.956 -26.435 -11.961 13 HA ARG -10 HA ARG -10 20.007 -25.748 -9.338 14 HB2 ARG -10 HB3 ARG -10 20.284 -24.361 -12.015 15 HB3 ARG -10 HB2 ARG -10 21.019 -23.787 -10.528 16 HG2 ARG -10 HG3 ARG -10 22.742 -24.903 -11.614 17 HG3 ARG -10 HG2 ARG -10 22.166 -26.077 -10.431 18 HD2 ARG -10 HD3 ARG -10 20.833 -27.167 -12.173 19 HD3 ARG -10 HD2 ARG -10 21.417 -25.995 -13.350 20 HE ARG -10 HE ARG -10 23.427 -27.568 -11.953 21 HH11 ARG -10 HH11 ARG -10 21.536 -27.070 -14.865 22 HH12 ARG -10 HH12 ARG -10 22.554 -28.073 -15.849 23 HH21 ARG -10 HH21 ARG -10 24.766 -28.888 -13.243 24 HH22 ARG -10 HH22 ARG -10 24.391 -29.112 -14.922 25 H GLY -9 H GLY -9 18.520 -23.620 -11.749 26 HA2 GLY -9 HA3 GLY -9 17.013 -22.290 -9.637 27 HA3 GLY -9 HA2 GLY -9 17.186 -21.745 -11.301 28 H SER -8 H SER -8 14.829 -21.408 -11.045 29 HA SER -8 HA SER -8 12.677 -21.942 -11.499 30 HB2 SER -8 HB3 SER -8 13.830 -24.493 -12.656 31 HB3 SER -8 HB2 SER -8 12.212 -23.854 -12.955 32 HG SER -8 HG SER -8 14.379 -22.170 -13.458 33 H HIS -7 H HIS -7 12.209 -22.042 -9.283 34 HA HIS -7 HA HIS -7 12.319 -24.584 -7.913 35 HB2 HIS -7 HB3 HIS -7 12.787 -22.459 -6.729 36 HB3 HIS -7 HB2 HIS -7 11.133 -21.940 -7.030 37 HD1 HIS -7 HD1 HIS -7 12.956 -24.750 -5.215 38 HD2 HIS -7 HD2 HIS -7 9.409 -22.589 -5.052 39 HE1 HIS -7 HE1 HIS -7 11.803 -25.498 -3.112 40 HE2 HIS -7 HE2 HIS -7 9.606 -24.266 -3.094 41 H HIS -6 H HIS -6 10.962 -25.327 -9.854 42 HA HIS -6 HA HIS -6 9.094 -26.424 -10.490 43 HB2 HIS -6 HB3 HIS -6 8.089 -25.571 -7.780 44 HB3 HIS -6 HB2 HIS -6 7.129 -26.538 -8.894 45 HD1 HIS -6 HD1 HIS -6 7.533 -29.009 -8.895 46 HD2 HIS -6 HD2 HIS -6 10.507 -26.914 -6.882 47 HE1 HIS -6 HE1 HIS -6 8.959 -30.757 -7.787 48 HE2 HIS -6 HE2 HIS -6 10.695 -29.466 -6.499 49 H HIS -5 H HIS -5 8.031 -23.401 -8.899 50 HA HIS -5 HA HIS -5 6.617 -22.756 -11.385 51 HB2 HIS -5 HB3 HIS -5 4.674 -21.942 -10.120 52 HB3 HIS -5 HB2 HIS -5 4.942 -23.658 -9.864 53 HD1 HIS -5 HD1 HIS -5 4.373 -20.556 -8.088 54 HD2 HIS -5 HD2 HIS -5 6.202 -24.191 -7.241 55 HE1 HIS -5 HE1 HIS -5 4.532 -20.663 -5.581 56 HE2 HIS -5 HE2 HIS -5 5.472 -22.946 -5.091 57 H HIS -4 H HIS -4 7.153 -20.845 -12.144 58 HA HIS -4 HA HIS -4 8.383 -18.864 -10.384 59 HB2 HIS -4 HB3 HIS -4 8.134 -19.091 -13.376 60 HB3 HIS -4 HB2 HIS -4 8.646 -17.593 -12.609 61 HD1 HIS -4 HD1 HIS -4 10.069 -20.348 -14.219 62 HD2 HIS -4 HD2 HIS -4 10.959 -18.324 -10.696 63 HE1 HIS -4 HE1 HIS -4 12.482 -20.858 -13.736 64 HE2 HIS -4 HE2 HIS -4 13.023 -19.566 -11.641 65 H HIS -3 H HIS -3 5.950 -18.741 -12.993 66 HA HIS -3 HA HIS -3 4.545 -16.718 -11.395 67 HB2 HIS -3 HB3 HIS -3 3.634 -15.848 -13.577 68 HB3 HIS -3 HB2 HIS -3 5.350 -15.591 -13.317 69 HD1 HIS -3 HD1 HIS -3 2.971 -16.905 -15.733 70 HD2 HIS -3 HD2 HIS -3 7.005 -17.435 -14.875 71 HE1 HIS -3 HE1 HIS -3 3.978 -17.924 -17.797 72 HE2 HIS -3 HE2 HIS -3 6.445 -18.033 -17.327 73 H HIS -2 H HIS -2 4.375 -19.837 -12.228 74 HA HIS -2 HA HIS -2 1.506 -20.025 -12.482 75 HB2 HIS -2 HB3 HIS -2 3.750 -21.959 -12.179 76 HB3 HIS -2 HB2 HIS -2 2.175 -22.472 -11.591 77 HD1 HIS -2 HD1 HIS -2 3.946 -23.360 -14.239 78 HD2 HIS -2 HD2 HIS -2 0.340 -21.305 -14.045 79 HE1 HIS -2 HE1 HIS -2 2.826 -23.751 -16.452 80 HE2 HIS -2 HE2 HIS -2 0.572 -22.651 -16.241 81 H GLY -1 H GLY -1 0.308 -19.316 -10.836 82 HA2 GLY -1 HA3 GLY -1 -0.484 -19.066 -8.689 83 HA3 GLY -1 HA2 GLY -1 0.615 -20.350 -8.195 84 H SER 0 H SER 0 0.760 -18.829 -6.284 85 HA SER 0 HA SER 0 3.070 -17.088 -6.718 86 HB2 SER 0 HB3 SER 0 0.628 -16.266 -5.136 87 HB3 SER 0 HB2 SER 0 2.104 -15.324 -5.337 88 HG SER 0 HG SER 0 0.430 -16.166 -7.470 89 H LYS 1 H LYS 1 3.351 -16.107 -4.202 90 HA LYS 1 HA LYS 1 3.914 -18.484 -2.621 91 HB2 LYS 1 HB3 LYS 1 4.579 -15.640 -1.882 92 HB3 LYS 1 HB2 LYS 1 5.382 -17.116 -1.368 93 HG2 LYS 1 HG3 LYS 1 6.201 -17.425 -3.683 94 HG3 LYS 1 HG2 LYS 1 5.467 -15.871 -4.099 95 HD2 LYS 1 HD3 LYS 1 6.902 -14.714 -2.567 96 HD3 LYS 1 HD2 LYS 1 7.539 -16.233 -1.937 97 HE2 LYS 1 HE3 LYS 1 7.877 -15.206 -4.754 98 HE3 LYS 1 HE2 LYS 1 9.105 -15.164 -3.491 99 HZ1 LYS 1 HZ1 LYS 1 8.993 -17.608 -3.412 100 HZ2 LYS 1 HZ2 LYS 1 9.490 -17.030 -4.922 101 HZ3 LYS 1 HZ3 LYS 1 7.910 -17.591 -4.712 102 H THR 2 H THR 2 3.519 -18.187 -0.235 103 HA THR 2 HA THR 2 0.949 -16.929 0.326 104 HB THR 2 HB THR 2 2.738 -18.507 2.192 105 HG1 THR 2 HG1 THR 2 0.456 -19.393 0.696 106 HG21 THR 2 HG21 THR 2 1.098 -17.085 3.320 107 HG22 THR 2 HG22 THR 2 0.703 -18.792 3.515 108 HG23 THR 2 HG23 THR 2 -0.191 -17.804 2.358 109 H LEU 3 H LEU 3 0.763 -15.202 1.820 110 HA LEU 3 HA LEU 3 2.859 -13.331 1.742 111 HB2 LEU 3 HB3 LEU 3 0.178 -13.433 2.842 112 HB3 LEU 3 HB2 LEU 3 1.281 -12.557 3.884 113 HG LEU 3 HG LEU 3 0.422 -11.896 1.085 114 HD11 LEU 3 HD11 LEU 3 0.579 -10.334 3.651 115 HD12 LEU 3 HD12 LEU 3 -0.882 -11.037 2.951 116 HD13 LEU 3 HD13 LEU 3 -0.038 -9.734 2.113 117 HD21 LEU 3 HD21 LEU 3 2.794 -11.664 0.944 118 HD22 LEU 3 HD22 LEU 3 2.867 -10.895 2.529 119 HD23 LEU 3 HD23 LEU 3 2.116 -10.054 1.174 120 HA PRO 4 HA PRO 4 5.177 -14.911 5.214 121 HB2 PRO 4 HB3 PRO 4 7.190 -13.082 5.024 122 HB3 PRO 4 HB2 PRO 4 7.104 -14.535 4.025 123 HG2 PRO 4 HG3 PRO 4 6.441 -11.720 3.341 124 HG3 PRO 4 HG2 PRO 4 7.146 -12.989 2.326 125 HD2 PRO 4 HD3 PRO 4 4.505 -12.199 2.244 126 HD3 PRO 4 HD2 PRO 4 5.096 -13.782 1.703 127 H ASP 5 H ASP 5 5.211 -14.343 7.280 128 HA ASP 5 HA ASP 5 3.425 -12.518 8.307 129 HB2 ASP 5 HB3 ASP 5 4.071 -14.304 9.686 130 HB3 ASP 5 HB2 ASP 5 5.782 -13.953 9.497 131 H LYS 6 H LYS 6 6.763 -12.005 7.458 132 HA LYS 6 HA LYS 6 7.512 -9.713 8.653 133 HB2 LYS 6 HB3 LYS 6 7.722 -10.401 5.721 134 HB3 LYS 6 HB2 LYS 6 8.593 -9.077 6.477 135 HG2 LYS 6 HG3 LYS 6 8.853 -11.955 7.309 136 HG3 LYS 6 HG2 LYS 6 9.926 -11.147 6.165 137 HD2 LYS 6 HD3 LYS 6 10.465 -9.485 7.927 138 HD3 LYS 6 HD2 LYS 6 9.484 -10.418 9.058 139 HE2 LYS 6 HE3 LYS 6 11.846 -10.957 9.309 140 HE3 LYS 6 HE2 LYS 6 10.941 -12.353 8.730 141 HZ1 LYS 6 HZ1 LYS 6 13.026 -12.082 7.543 142 HZ2 LYS 6 HZ2 LYS 6 12.572 -10.536 7.040 143 HZ3 LYS 6 HZ3 LYS 6 11.716 -11.887 6.493 144 H PHE 7 H PHE 7 5.138 -9.895 5.981 145 HA PHE 7 HA PHE 7 5.015 -6.982 5.937 146 HB2 PHE 7 HB3 PHE 7 3.686 -9.027 4.147 147 HB3 PHE 7 HB2 PHE 7 3.621 -7.281 3.925 148 HD1 PHE 7 HD1 PHE 7 6.124 -6.205 4.050 149 HD2 PHE 7 HD2 PHE 7 5.108 -10.122 2.743 150 HE1 PHE 7 HE1 PHE 7 8.192 -6.297 2.726 151 HE2 PHE 7 HE2 PHE 7 7.176 -10.222 1.417 152 HZ PHE 7 HZ PHE 7 8.720 -8.306 1.408 153 H LEU 8 H LEU 8 3.658 -9.095 7.915 154 HA LEU 8 HA LEU 8 0.917 -8.153 7.545 155 HB2 LEU 8 HB3 LEU 8 1.998 -10.488 9.110 156 HB3 LEU 8 HB2 LEU 8 0.301 -10.036 9.028 157 HG LEU 8 HG LEU 8 1.996 -10.846 6.663 158 HD11 LEU 8 HD11 LEU 8 0.741 -12.890 6.648 159 HD12 LEU 8 HD12 LEU 8 -0.203 -12.366 8.043 160 HD13 LEU 8 HD13 LEU 8 1.520 -12.693 8.217 161 HD21 LEU 8 HD21 LEU 8 0.283 -9.283 6.024 162 HD22 LEU 8 HD22 LEU 8 -0.935 -10.196 6.913 163 HD23 LEU 8 HD23 LEU 8 -0.174 -10.900 5.485 164 H GLY 9 H GLY 9 -0.137 -7.039 8.992 165 HA2 GLY 9 HA3 GLY 9 -0.194 -6.567 11.535 166 HA3 GLY 9 HA2 GLY 9 1.417 -5.926 11.225 167 H THR 10 H THR 10 -0.304 -4.196 12.278 168 HA THR 10 HA THR 10 -1.205 -2.557 10.012 169 HB THR 10 HB THR 10 -1.988 -2.193 12.906 170 HG1 THR 10 HG1 THR 10 -2.702 -4.152 11.165 171 HG21 THR 10 HG21 THR 10 -3.867 -0.977 11.962 172 HG22 THR 10 HG22 THR 10 -3.316 -1.355 10.331 173 HG23 THR 10 HG23 THR 10 -2.351 -0.301 11.363 174 H PHE 11 H PHE 11 -0.251 -0.602 9.681 175 HA PHE 11 HA PHE 11 1.799 0.238 11.628 176 HB2 PHE 11 HB3 PHE 11 2.110 0.467 8.634 177 HB3 PHE 11 HB2 PHE 11 3.349 0.676 9.862 178 HD1 PHE 11 HD1 PHE 11 4.492 -1.209 10.808 179 HD2 PHE 11 HD2 PHE 11 1.356 -1.773 7.987 180 HE1 PHE 11 HE1 PHE 11 5.157 -3.562 10.544 181 HE2 PHE 11 HE2 PHE 11 2.021 -4.122 7.715 182 HZ PHE 11 HZ PHE 11 3.941 -5.007 8.929 183 H LYS 12 H LYS 12 1.900 2.398 12.120 184 HA LYS 12 HA LYS 12 0.123 4.277 10.816 185 HB2 LYS 12 HB3 LYS 12 2.457 4.810 12.665 186 HB3 LYS 12 HB2 LYS 12 1.192 5.946 12.235 187 HG2 LYS 12 HG3 LYS 12 -0.442 4.491 13.354 188 HG3 LYS 12 HG2 LYS 12 0.880 3.422 13.829 189 HD2 LYS 12 HD3 LYS 12 0.356 4.887 15.669 190 HD3 LYS 12 HD2 LYS 12 1.937 5.320 15.019 191 HE2 LYS 12 HE3 LYS 12 0.814 7.113 13.694 192 HE3 LYS 12 HE2 LYS 12 -0.683 6.732 14.543 193 HZ1 LYS 12 HZ1 LYS 12 1.841 7.712 15.759 194 HZ2 LYS 12 HZ2 LYS 12 0.471 7.245 16.634 195 HZ3 LYS 12 HZ3 LYS 12 0.394 8.574 15.595 196 H LEU 13 H LEU 13 1.782 6.530 10.600 197 HA LEU 13 HA LEU 13 3.605 5.810 8.417 198 HB2 LEU 13 HB3 LEU 13 1.562 6.478 7.311 199 HB3 LEU 13 HB2 LEU 13 1.434 7.908 8.319 200 HG LEU 13 HG LEU 13 3.540 8.760 7.275 201 HD11 LEU 13 HD11 LEU 13 3.143 6.418 5.425 202 HD12 LEU 13 HD12 LEU 13 4.491 6.662 6.538 203 HD13 LEU 13 HD13 LEU 13 4.270 7.750 5.166 204 HD21 LEU 13 HD21 LEU 13 2.489 9.432 5.182 205 HD22 LEU 13 HD22 LEU 13 1.352 9.524 6.527 206 HD23 LEU 13 HD23 LEU 13 1.264 8.181 5.388 207 H GLU 14 H GLU 14 5.570 6.657 8.878 208 HA GLU 14 HA GLU 14 5.600 8.845 10.825 209 HB2 GLU 14 HB3 GLU 14 6.623 6.635 11.403 210 HB3 GLU 14 HB2 GLU 14 7.816 6.920 10.146 211 HG2 GLU 14 HG3 GLU 14 8.667 8.834 11.314 212 HG3 GLU 14 HG2 GLU 14 7.380 8.718 12.517 213 H ARG 15 H ARG 15 7.152 7.779 7.795 214 HA ARG 15 HA ARG 15 7.959 10.551 7.318 215 HB2 ARG 15 HB3 ARG 15 9.845 9.474 8.445 216 HB3 ARG 15 HB2 ARG 15 9.850 8.192 7.250 217 HG2 ARG 15 HG3 ARG 15 11.629 9.739 6.790 218 HG3 ARG 15 HG2 ARG 15 10.411 9.852 5.516 219 HD2 ARG 15 HD3 ARG 15 9.461 11.820 6.619 220 HD3 ARG 15 HD2 ARG 15 10.701 11.715 7.863 221 HE ARG 15 HE ARG 15 11.523 12.022 5.065 222 HH11 ARG 15 HH11 ARG 15 11.208 13.392 8.276 223 HH12 ARG 15 HH12 ARG 15 12.328 14.681 7.971 224 HH21 ARG 15 HH21 ARG 15 12.968 13.690 4.648 225 HH22 ARG 15 HH22 ARG 15 13.334 14.859 5.886 226 H ASP 16 H ASP 16 8.408 11.062 5.163 227 HA ASP 16 HA ASP 16 8.122 8.986 3.133 228 HB2 ASP 16 HB3 ASP 16 6.598 10.352 1.784 229 HB3 ASP 16 HB2 ASP 16 5.873 9.978 3.342 230 H GLU 17 H GLU 17 9.192 9.498 1.172 231 HA GLU 17 HA GLU 17 10.881 11.894 1.214 232 HB2 GLU 17 HB3 GLU 17 11.824 9.037 1.073 233 HB3 GLU 17 HB2 GLU 17 12.797 10.366 0.461 234 HG2 GLU 17 HG3 GLU 17 11.795 10.179 3.289 235 HG3 GLU 17 HG2 GLU 17 13.384 9.627 2.757 236 H ASN 18 H ASN 18 10.850 12.872 -0.696 237 HA ASN 18 HA ASN 18 10.869 13.267 -2.938 238 HB2 ASN 18 HB3 ASN 18 12.451 11.246 -2.892 239 HB3 ASN 18 HB2 ASN 18 11.069 10.291 -3.406 240 HD21 ASN 18 HD21 ASN 18 12.030 9.736 -5.335 241 HD22 ASN 18 HD22 ASN 18 12.232 10.866 -6.632 242 H PHE 19 H PHE 19 8.469 12.606 -1.371 243 HA PHE 19 HA PHE 19 6.744 11.043 -3.056 244 HB2 PHE 19 HB3 PHE 19 6.525 11.065 -0.577 245 HB3 PHE 19 HB2 PHE 19 5.972 12.735 -0.674 246 HD1 PHE 19 HD1 PHE 19 5.192 9.494 -2.357 247 HD2 PHE 19 HD2 PHE 19 3.708 13.017 -0.492 248 HE1 PHE 19 HE1 PHE 19 2.892 8.706 -2.717 249 HE2 PHE 19 HE2 PHE 19 1.406 12.237 -0.846 250 HZ PHE 19 HZ PHE 19 0.984 10.075 -1.972 251 H ASP 20 H ASP 20 7.075 14.503 -2.312 252 HA ASP 20 HA ASP 20 4.925 15.472 -3.772 253 HB2 ASP 20 HB3 ASP 20 6.559 16.776 -2.305 254 HB3 ASP 20 HB2 ASP 20 7.629 16.814 -3.700 255 H GLU 21 H GLU 21 8.259 14.946 -4.854 256 HA GLU 21 HA GLU 21 8.018 15.602 -7.522 257 HB2 GLU 21 HB3 GLU 21 9.686 13.426 -6.273 258 HB3 GLU 21 HB2 GLU 21 9.892 14.029 -7.912 259 HG2 GLU 21 HG3 GLU 21 10.181 15.646 -5.399 260 HG3 GLU 21 HG2 GLU 21 11.495 15.000 -6.368 261 H TYR 22 H TYR 22 7.360 12.504 -5.931 262 HA TYR 22 HA TYR 22 6.658 11.031 -8.200 263 HB2 TYR 22 HB3 TYR 22 7.051 9.992 -6.032 264 HB3 TYR 22 HB2 TYR 22 5.643 10.808 -5.360 265 HD1 TYR 22 HD1 TYR 22 3.471 9.910 -5.620 266 HD2 TYR 22 HD2 TYR 22 6.728 8.229 -7.777 267 HE1 TYR 22 HE1 TYR 22 2.056 8.009 -6.265 268 HE2 TYR 22 HE2 TYR 22 5.321 6.323 -8.426 269 HH TYR 22 HH TYR 22 1.894 6.277 -7.821 270 H LEU 23 H LEU 23 4.716 13.174 -6.153 271 HA LEU 23 HA LEU 23 2.208 12.524 -7.293 272 HB2 LEU 23 HB3 LEU 23 3.147 15.025 -5.887 273 HB3 LEU 23 HB2 LEU 23 1.481 14.727 -6.343 274 HG LEU 23 HG LEU 23 3.104 13.101 -4.385 275 HD11 LEU 23 HD11 LEU 23 2.427 15.260 -3.505 276 HD12 LEU 23 HD12 LEU 23 1.503 13.961 -2.746 277 HD13 LEU 23 HD13 LEU 23 0.761 14.954 -4.000 278 HD21 LEU 23 HD21 LEU 23 1.546 11.701 -5.651 279 HD22 LEU 23 HD22 LEU 23 0.226 12.797 -5.238 280 HD23 LEU 23 HD23 LEU 23 1.042 11.878 -3.972 281 H LYS 24 H LYS 24 4.663 14.942 -8.086 282 HA LYS 24 HA LYS 24 3.229 16.331 -10.072 283 HB2 LYS 24 HB3 LYS 24 6.205 15.799 -10.047 284 HB3 LYS 24 HB2 LYS 24 5.380 17.100 -10.882 285 HG2 LYS 24 HG3 LYS 24 4.696 17.999 -8.659 286 HG3 LYS 24 HG2 LYS 24 5.721 16.767 -7.912 287 HD2 LYS 24 HD3 LYS 24 7.623 17.658 -9.294 288 HD3 LYS 24 HD2 LYS 24 6.571 18.991 -9.764 289 HE2 LYS 24 HE3 LYS 24 7.549 18.310 -6.997 290 HE3 LYS 24 HE2 LYS 24 7.959 19.727 -7.959 291 HZ1 LYS 24 HZ1 LYS 24 6.380 20.571 -6.578 292 HZ2 LYS 24 HZ2 LYS 24 5.512 19.125 -6.470 293 HZ3 LYS 24 HZ3 LYS 24 5.389 20.090 -7.862 294 H ALA 25 H ALA 25 5.438 13.604 -10.231 295 HA ALA 25 HA ALA 25 5.391 13.136 -12.988 296 HB1 ALA 25 HB1 ALA 25 7.050 12.132 -11.539 297 HB2 ALA 25 HB2 ALA 25 6.190 10.878 -12.432 298 HB3 ALA 25 HB3 ALA 25 5.805 11.174 -10.737 299 H ARG 26 H ARG 26 3.305 11.941 -10.420 300 HA ARG 26 HA ARG 26 1.846 10.128 -12.064 301 HB2 ARG 26 HB3 ARG 26 1.459 11.255 -9.322 302 HB3 ARG 26 HB2 ARG 26 0.151 10.367 -10.088 303 HG2 ARG 26 HG3 ARG 26 2.925 9.258 -9.768 304 HG3 ARG 26 HG2 ARG 26 1.642 9.033 -8.576 305 HD2 ARG 26 HD3 ARG 26 1.439 8.229 -11.475 306 HD3 ARG 26 HD2 ARG 26 1.887 7.137 -10.168 307 HE ARG 26 HE ARG 26 -0.336 7.556 -9.210 308 HH11 ARG 26 HH11 ARG 26 0.169 8.237 -12.616 309 HH12 ARG 26 HH12 ARG 26 -1.510 8.073 -13.033 310 HH21 ARG 26 HH21 ARG 26 -2.554 7.337 -9.769 311 HH22 ARG 26 HH22 ARG 26 -3.051 7.552 -11.426 312 H GLY 27 H GLY 27 1.757 13.505 -11.776 313 HA2 GLY 27 HA3 GLY 27 0.557 14.825 -13.328 314 HA3 GLY 27 HA2 GLY 27 -0.607 13.523 -13.501 315 H TYR 28 H TYR 28 0.415 14.552 -10.339 316 HA TYR 28 HA TYR 28 -2.284 15.560 -9.861 317 HB2 TYR 28 HB3 TYR 28 -0.066 14.791 -7.959 318 HB3 TYR 28 HB2 TYR 28 -1.597 15.491 -7.443 319 HD1 TYR 28 HD1 TYR 28 0.138 12.498 -8.049 320 HD2 TYR 28 HD2 TYR 28 -3.741 14.221 -8.295 321 HE1 TYR 28 HE1 TYR 28 -0.850 10.252 -7.986 322 HE2 TYR 28 HE2 TYR 28 -4.746 11.977 -8.233 323 HH TYR 28 HH TYR 28 -4.200 9.694 -8.604 324 H GLY 29 H GLY 29 -2.681 17.632 -9.837 325 HA2 GLY 29 HA3 GLY 29 -0.503 19.533 -9.977 326 HA3 GLY 29 HA2 GLY 29 -2.215 19.888 -10.146 327 H TRP 30 H TRP 30 -1.533 21.741 -8.781 328 HA TRP 30 HA TRP 30 -0.487 21.544 -6.236 329 HB2 TRP 30 HB3 TRP 30 -0.637 23.694 -7.250 330 HB3 TRP 30 HB2 TRP 30 -2.384 23.567 -7.434 331 HD1 TRP 30 HD1 TRP 30 0.296 24.242 -4.764 332 HE1 TRP 30 HE1 TRP 30 -0.839 25.338 -2.730 333 HE3 TRP 30 HE3 TRP 30 -4.583 23.844 -6.235 334 HZ2 TRP 30 HZ2 TRP 30 -3.461 25.936 -1.875 335 HZ3 TRP 30 HZ3 TRP 30 -6.341 24.702 -4.748 336 HH2 TRP 30 HH2 TRP 30 -5.784 25.728 -2.609 337 H ILE 31 H ILE 31 -3.932 21.410 -7.164 338 HA ILE 31 HA ILE 31 -5.035 21.632 -4.614 339 HB ILE 31 HB ILE 31 -6.107 20.035 -6.941 340 HG12 ILE 31 HG13 ILE 31 -7.729 22.022 -7.018 341 HG13 ILE 31 HG12 ILE 31 -6.547 22.859 -6.015 342 HG21 ILE 31 HG21 ILE 31 -7.127 19.155 -5.009 343 HG22 ILE 31 HG22 ILE 31 -8.299 20.258 -5.736 344 HG23 ILE 31 HG23 ILE 31 -7.374 20.764 -4.320 345 HD11 ILE 31 HD11 ILE 31 -6.322 23.304 -8.435 346 HD12 ILE 31 HD12 ILE 31 -5.922 21.595 -8.654 347 HD13 ILE 31 HD13 ILE 31 -4.877 22.628 -7.682 348 H MET 32 H MET 32 -4.486 18.677 -6.484 349 HA MET 32 HA MET 32 -5.208 17.032 -4.377 350 HB2 MET 32 HB3 MET 32 -3.650 16.476 -6.883 351 HB3 MET 32 HB2 MET 32 -4.074 15.214 -5.732 352 HG2 MET 32 HG3 MET 32 -5.933 16.930 -7.332 353 HG3 MET 32 HG2 MET 32 -5.686 15.205 -7.477 354 HE1 MET 32 HE1 MET 32 -7.022 14.079 -3.896 355 HE2 MET 32 HE2 MET 32 -5.451 14.864 -4.081 356 HE3 MET 32 HE3 MET 32 -5.969 13.650 -5.251 357 H ARG 33 H ARG 33 -2.208 18.467 -5.313 358 HA ARG 33 HA ARG 33 -0.479 16.774 -3.850 359 HB2 ARG 33 HB3 ARG 33 0.039 18.401 -5.762 360 HB3 ARG 33 HB2 ARG 33 0.030 19.659 -4.536 361 HG2 ARG 33 HG3 ARG 33 1.968 18.951 -3.595 362 HG3 ARG 33 HG2 ARG 33 1.734 17.271 -4.090 363 HD2 ARG 33 HD3 ARG 33 3.539 18.244 -5.374 364 HD3 ARG 33 HD2 ARG 33 2.158 17.930 -6.423 365 HE ARG 33 HE ARG 33 2.560 20.622 -5.323 366 HH11 ARG 33 HH11 ARG 33 2.369 18.459 -8.076 367 HH12 ARG 33 HH12 ARG 33 2.404 19.734 -9.247 368 HH21 ARG 33 HH21 ARG 33 2.582 22.306 -6.863 369 HH22 ARG 33 HH22 ARG 33 2.522 21.927 -8.554 370 H GLN 34 H GLN 34 -2.397 19.576 -3.055 371 HA GLN 34 HA GLN 34 -1.201 19.995 -0.482 372 HB2 GLN 34 HB3 GLN 34 -3.789 20.976 -1.680 373 HB3 GLN 34 HB2 GLN 34 -3.174 21.483 -0.111 374 HG2 GLN 34 HG3 GLN 34 -1.987 22.000 -2.818 375 HG3 GLN 34 HG2 GLN 34 -2.629 23.173 -1.672 376 HE21 GLN 34 HE21 GLN 34 -1.416 23.725 0.142 377 HE22 GLN 34 HE22 GLN 34 0.278 23.386 0.247 378 H VAL 35 H VAL 35 -3.796 18.033 -1.750 379 HA VAL 35 HA VAL 35 -4.849 17.442 0.869 380 HB VAL 35 HB VAL 35 -5.423 16.248 -1.854 381 HG11 VAL 35 HG11 VAL 35 -6.953 15.845 0.711 382 HG12 VAL 35 HG12 VAL 35 -5.887 14.652 -0.030 383 HG13 VAL 35 HG13 VAL 35 -7.347 15.173 -0.871 384 HG21 VAL 35 HG21 VAL 35 -6.972 18.209 -0.169 385 HG22 VAL 35 HG22 VAL 35 -7.512 17.524 -1.702 386 HG23 VAL 35 HG23 VAL 35 -6.095 18.573 -1.655 387 H ILE 36 H ILE 36 -3.476 15.450 -1.718 388 HA ILE 36 HA ILE 36 -3.112 13.072 -0.465 389 HB ILE 36 HB ILE 36 -1.260 14.312 -2.485 390 HG12 ILE 36 HG13 ILE 36 -3.787 12.668 -2.781 391 HG13 ILE 36 HG12 ILE 36 -3.644 14.389 -3.116 392 HG21 ILE 36 HG21 ILE 36 -0.421 12.262 -1.365 393 HG22 ILE 36 HG22 ILE 36 -0.722 12.054 -3.088 394 HG23 ILE 36 HG23 ILE 36 -1.873 11.425 -1.908 395 HD11 ILE 36 HD11 ILE 36 -3.619 13.223 -5.174 396 HD12 ILE 36 HD12 ILE 36 -2.362 12.124 -4.599 397 HD13 ILE 36 HD13 ILE 36 -1.987 13.826 -4.880 398 H LYS 37 H LYS 37 -0.764 15.798 -0.368 399 HA LYS 37 HA LYS 37 1.139 14.258 1.125 400 HB2 LYS 37 HB3 LYS 37 0.983 17.227 0.615 401 HB3 LYS 37 HB2 LYS 37 2.304 16.445 1.472 402 HG2 LYS 37 HG3 LYS 37 2.568 15.018 -0.641 403 HG3 LYS 37 HG2 LYS 37 1.553 16.237 -1.417 404 HD2 LYS 37 HD3 LYS 37 4.186 16.712 -0.024 405 HD3 LYS 37 HD2 LYS 37 3.896 16.764 -1.762 406 HE2 LYS 37 HE3 LYS 37 2.434 18.678 -1.489 407 HE3 LYS 37 HE2 LYS 37 2.614 18.593 0.263 408 HZ1 LYS 37 HZ1 LYS 37 4.040 20.289 -0.681 409 HZ2 LYS 37 HZ2 LYS 37 4.795 19.148 -1.680 410 HZ3 LYS 37 HZ3 LYS 37 4.972 19.056 0.004 411 H LEU 38 H LEU 38 -1.535 16.313 1.968 412 HA LEU 38 HA LEU 38 -0.628 16.462 4.749 413 HB2 LEU 38 HB3 LEU 38 -2.788 17.898 3.228 414 HB3 LEU 38 HB2 LEU 38 -2.730 17.925 4.977 415 HG LEU 38 HG LEU 38 -1.746 19.947 4.137 416 HD11 LEU 38 HD11 LEU 38 0.450 18.117 5.082 417 HD12 LEU 38 HD12 LEU 38 -0.723 18.923 6.122 418 HD13 LEU 38 HD13 LEU 38 0.423 19.877 5.182 419 HD21 LEU 38 HD21 LEU 38 0.183 19.983 2.676 420 HD22 LEU 38 HD22 LEU 38 -1.151 19.129 1.898 421 HD23 LEU 38 HD23 LEU 38 0.190 18.222 2.601 422 H ALA 39 H ALA 39 -1.713 14.073 3.320 423 HA ALA 39 HA ALA 39 -3.909 13.464 5.163 424 HB1 ALA 39 HB1 ALA 39 -3.304 12.231 2.476 425 HB2 ALA 39 HB2 ALA 39 -4.602 13.373 2.822 426 HB3 ALA 39 HB3 ALA 39 -4.624 11.765 3.547 427 H GLY 40 H GLY 40 -3.392 12.106 6.728 428 HA2 GLY 40 HA3 GLY 40 -0.988 10.494 6.605 429 HA3 GLY 40 HA2 GLY 40 -2.119 10.592 7.953 430 H VAL 41 H VAL 41 -1.126 8.133 7.089 431 HA VAL 41 HA VAL 41 -3.565 6.830 6.323 432 HB VAL 41 HB VAL 41 -3.024 7.138 4.113 433 HG11 VAL 41 HG11 VAL 41 -0.877 8.230 4.501 434 HG12 VAL 41 HG12 VAL 41 -0.846 7.120 3.132 435 HG13 VAL 41 HG13 VAL 41 -0.117 6.646 4.671 436 HG21 VAL 41 HG21 VAL 41 -2.169 5.029 3.204 437 HG22 VAL 41 HG22 VAL 41 -3.322 4.760 4.511 438 HG23 VAL 41 HG23 VAL 41 -1.593 4.580 4.809 439 H THR 42 H THR 42 -3.706 4.786 6.951 440 HA THR 42 HA THR 42 -1.424 3.680 8.445 441 HB THR 42 HB THR 42 -4.390 3.257 8.910 442 HG1 THR 42 HG1 THR 42 -3.488 5.380 9.462 443 HG21 THR 42 HG21 THR 42 -3.696 2.178 10.996 444 HG22 THR 42 HG22 THR 42 -2.004 2.385 10.544 445 HG23 THR 42 HG23 THR 42 -3.049 1.330 9.593 446 H LYS 43 H LYS 43 -0.588 1.876 7.602 447 HA LYS 43 HA LYS 43 -2.014 0.397 5.540 448 HB2 LYS 43 HB3 LYS 43 0.786 0.268 6.647 449 HB3 LYS 43 HB2 LYS 43 0.172 -0.946 5.534 450 HG2 LYS 43 HG3 LYS 43 0.159 1.987 4.894 451 HG3 LYS 43 HG2 LYS 43 1.529 0.932 4.531 452 HD2 LYS 43 HD3 LYS 43 0.133 -0.463 3.138 453 HD3 LYS 43 HD2 LYS 43 -1.294 0.479 3.573 454 HE2 LYS 43 HE3 LYS 43 1.104 1.669 2.202 455 HE3 LYS 43 HE2 LYS 43 -0.259 0.980 1.323 456 HZ1 LYS 43 HZ1 LYS 43 -1.710 2.567 2.452 457 HZ2 LYS 43 HZ2 LYS 43 -0.518 3.351 1.533 458 HZ3 LYS 43 HZ3 LYS 43 -0.366 3.263 3.218 459 H LYS 44 H LYS 44 -3.018 -1.528 5.855 460 HA LYS 44 HA LYS 44 -2.567 -2.880 8.421 461 HB2 LYS 44 HB3 LYS 44 -4.594 -1.485 8.484 462 HB3 LYS 44 HB2 LYS 44 -5.214 -2.336 7.081 463 HG2 LYS 44 HG3 LYS 44 -5.206 -4.425 8.406 464 HG3 LYS 44 HG2 LYS 44 -4.727 -3.477 9.817 465 HD2 LYS 44 HD3 LYS 44 -7.190 -2.944 8.174 466 HD3 LYS 44 HD2 LYS 44 -7.186 -3.902 9.658 467 HE2 LYS 44 HE3 LYS 44 -6.356 -1.965 10.902 468 HE3 LYS 44 HE2 LYS 44 -6.336 -1.013 9.419 469 HZ1 LYS 44 HZ1 LYS 44 -8.723 -1.230 9.259 470 HZ2 LYS 44 HZ2 LYS 44 -8.302 -0.581 10.769 471 HZ3 LYS 44 HZ3 LYS 44 -8.761 -2.201 10.649 472 H PHE 45 H PHE 45 -1.512 -4.656 7.719 473 HA PHE 45 HA PHE 45 -2.759 -6.266 5.583 474 HB2 PHE 45 HB3 PHE 45 0.056 -6.417 6.690 475 HB3 PHE 45 HB2 PHE 45 -0.597 -7.440 5.420 476 HD1 PHE 45 HD1 PHE 45 0.460 -4.018 6.269 477 HD2 PHE 45 HD2 PHE 45 -0.705 -6.697 3.173 478 HE1 PHE 45 HE1 PHE 45 1.184 -2.382 4.581 479 HE2 PHE 45 HE2 PHE 45 0.020 -5.066 1.483 480 HZ PHE 45 HZ PHE 45 1.076 -2.958 2.186 481 H ARG 46 H ARG 46 -3.626 -8.198 6.148 482 HA ARG 46 HA ARG 46 -2.799 -9.589 8.527 483 HB2 ARG 46 HB3 ARG 46 -5.018 -9.447 9.634 484 HB3 ARG 46 HB2 ARG 46 -4.203 -7.888 9.550 485 HG2 ARG 46 HG3 ARG 46 -5.550 -7.404 7.494 486 HG3 ARG 46 HG2 ARG 46 -6.460 -8.875 7.835 487 HD2 ARG 46 HD3 ARG 46 -7.230 -7.984 9.921 488 HD3 ARG 46 HD2 ARG 46 -6.188 -6.569 9.752 489 HE ARG 46 HE ARG 46 -7.776 -6.587 7.504 490 HH11 ARG 46 HH11 ARG 46 -8.343 -6.464 10.958 491 HH12 ARG 46 HH12 ARG 46 -9.796 -5.529 10.809 492 HH21 ARG 46 HH21 ARG 46 -9.640 -5.363 7.298 493 HH22 ARG 46 HH22 ARG 46 -10.536 -4.878 8.708 494 H ASN 47 H ASN 47 -4.248 -11.507 8.907 495 HA ASN 47 HA ASN 47 -4.849 -12.911 6.503 496 HB2 ASN 47 HB3 ASN 47 -5.420 -13.442 9.406 497 HB3 ASN 47 HB2 ASN 47 -6.153 -14.449 8.161 498 HD21 ASN 47 HD21 ASN 47 -3.161 -13.473 9.667 499 HD22 ASN 47 HD22 ASN 47 -2.199 -14.764 9.030 500 H ALA 48 H ALA 48 -7.033 -13.693 5.858 501 HA ALA 48 HA ALA 48 -8.722 -11.522 5.394 502 HB1 ALA 48 HB1 ALA 48 -9.485 -14.427 5.234 503 HB2 ALA 48 HB2 ALA 48 -8.528 -13.589 4.012 504 HB3 ALA 48 HB3 ALA 48 -10.187 -13.077 4.338 505 H ALA 49 H ALA 49 -10.967 -11.298 5.949 506 HA ALA 49 HA ALA 49 -11.596 -10.841 8.508 507 HB1 ALA 49 HB1 ALA 49 -13.902 -10.863 7.894 508 HB2 ALA 49 HB2 ALA 49 -13.574 -11.959 6.551 509 HB3 ALA 49 HB3 ALA 49 -12.965 -10.303 6.507 510 H SER 50 H SER 50 -12.644 -13.829 6.890 511 HA SER 50 HA SER 50 -13.589 -15.037 9.267 512 HB2 SER 50 HB3 SER 50 -14.373 -15.751 7.055 513 HB3 SER 50 HB2 SER 50 -12.755 -16.300 6.646 514 HG SER 50 HG SER 50 -14.479 -17.342 8.647 515 H GLY 51 H GLY 51 -10.565 -15.175 7.500 516 HA2 GLY 51 HA3 GLY 51 -8.513 -15.166 8.839 517 HA3 GLY 51 HA2 GLY 51 -9.301 -16.304 9.922 518 H LYS 52 H LYS 52 -8.991 -16.213 6.390 519 HA LYS 52 HA LYS 52 -8.282 -19.042 6.450 520 HB2 LYS 52 HB3 LYS 52 -9.025 -17.225 4.150 521 HB3 LYS 52 HB2 LYS 52 -8.717 -18.950 4.019 522 HG2 LYS 52 HG3 LYS 52 -10.619 -19.398 5.488 523 HG3 LYS 52 HG2 LYS 52 -10.930 -17.666 5.603 524 HD2 LYS 52 HD3 LYS 52 -12.413 -18.676 3.972 525 HD3 LYS 52 HD2 LYS 52 -11.280 -17.588 3.169 526 HE2 LYS 52 HE3 LYS 52 -9.922 -19.463 2.466 527 HE3 LYS 52 HE2 LYS 52 -10.952 -20.580 3.360 528 HZ1 LYS 52 HZ1 LYS 52 -12.800 -19.935 1.914 529 HZ2 LYS 52 HZ2 LYS 52 -11.524 -20.608 1.036 530 HZ3 LYS 52 HZ3 LYS 52 -11.766 -18.934 1.027 531 HA PRO 53 HA PRO 53 -4.055 -18.181 5.339 532 HB2 PRO 53 HB3 PRO 53 -3.379 -20.574 4.309 533 HB3 PRO 53 HB2 PRO 53 -3.633 -20.345 6.043 534 HG2 PRO 53 HG3 PRO 53 -5.495 -21.472 3.990 535 HG3 PRO 53 HG2 PRO 53 -5.146 -22.063 5.625 536 HD2 PRO 53 HD3 PRO 53 -7.352 -20.586 5.016 537 HD3 PRO 53 HD2 PRO 53 -6.569 -20.546 6.610 538 H ASP 54 H ASP 54 -2.938 -17.555 3.536 539 HA ASP 54 HA ASP 54 -2.431 -17.056 1.368 540 HB2 ASP 54 HB3 ASP 54 -4.303 -19.345 0.756 541 HB3 ASP 54 HB2 ASP 54 -3.412 -18.461 -0.477 542 H ARG 55 H ARG 55 -5.294 -16.579 2.793 543 HA ARG 55 HA ARG 55 -6.231 -14.774 0.677 544 HB2 ARG 55 HB3 ARG 55 -7.767 -16.760 2.265 545 HB3 ARG 55 HB2 ARG 55 -8.503 -15.177 2.091 546 HG2 ARG 55 HG3 ARG 55 -9.314 -16.691 0.392 547 HG3 ARG 55 HG2 ARG 55 -8.383 -15.386 -0.339 548 HD2 ARG 55 HD3 ARG 55 -7.882 -17.559 -1.355 549 HD3 ARG 55 HD2 ARG 55 -6.468 -16.851 -0.579 550 HE ARG 55 HE ARG 55 -6.952 -18.395 1.319 551 HH11 ARG 55 HH11 ARG 55 -8.063 -19.152 -1.916 552 HH12 ARG 55 HH12 ARG 55 -8.100 -20.862 -1.636 553 HH21 ARG 55 HH21 ARG 55 -6.998 -20.641 1.683 554 HH22 ARG 55 HH22 ARG 55 -7.494 -21.711 0.413 555 H TYR 56 H TYR 56 -5.829 -12.765 1.388 556 HA TYR 56 HA TYR 56 -5.775 -12.383 4.303 557 HB2 TYR 56 HB3 TYR 56 -3.957 -11.226 2.191 558 HB3 TYR 56 HB2 TYR 56 -3.964 -10.713 3.876 559 HD1 TYR 56 HD1 TYR 56 -3.108 -13.427 1.565 560 HD2 TYR 56 HD2 TYR 56 -3.082 -12.141 5.619 561 HE1 TYR 56 HE1 TYR 56 -1.585 -15.270 2.135 562 HE2 TYR 56 HE2 TYR 56 -1.555 -13.978 6.199 563 HH TYR 56 HH TYR 56 -0.924 -16.185 5.334 564 H ASP 57 H ASP 57 -5.654 -9.946 4.794 565 HA ASP 57 HA ASP 57 -7.730 -8.520 3.271 566 HB2 ASP 57 HB3 ASP 57 -8.625 -9.549 5.375 567 HB3 ASP 57 HB2 ASP 57 -7.451 -8.615 6.284 568 H MET 58 H MET 58 -7.197 -6.437 2.830 569 HA MET 58 HA MET 58 -4.906 -5.263 4.234 570 HB2 MET 58 HB3 MET 58 -3.824 -6.158 2.343 571 HB3 MET 58 HB2 MET 58 -5.145 -5.724 1.270 572 HG2 MET 58 HG3 MET 58 -3.180 -4.323 0.930 573 HG3 MET 58 HG2 MET 58 -4.579 -3.388 1.454 574 HE1 MET 58 HE1 MET 58 -1.667 -1.402 3.043 575 HE2 MET 58 HE2 MET 58 -3.188 -1.291 2.152 576 HE3 MET 58 HE3 MET 58 -1.804 -2.132 1.443 577 H GLU 59 H GLU 59 -5.272 -3.227 4.797 578 HA GLU 59 HA GLU 59 -7.389 -1.764 3.384 579 HB2 GLU 59 HB3 GLU 59 -8.350 -2.852 5.372 580 HB3 GLU 59 HB2 GLU 59 -7.151 -2.062 6.381 581 HG2 GLU 59 HG3 GLU 59 -8.097 0.087 5.938 582 HG3 GLU 59 HG2 GLU 59 -9.196 -0.596 4.740 583 H ASN 60 H ASN 60 -7.226 0.445 3.350 584 HA ASN 60 HA ASN 60 -4.796 1.615 4.545 585 HB2 ASN 60 HB3 ASN 60 -6.005 2.339 1.863 586 HB3 ASN 60 HB2 ASN 60 -4.642 3.151 2.620 587 HD21 ASN 60 HD21 ASN 60 -5.708 0.433 0.816 588 HD22 ASN 60 HD22 ASN 60 -4.143 -0.248 0.529 589 H LEU 61 H LEU 61 -5.598 2.724 6.212 590 HA LEU 61 HA LEU 61 -8.037 4.301 5.844 591 HB2 LEU 61 HB3 LEU 61 -6.430 3.583 8.288 592 HB3 LEU 61 HB2 LEU 61 -7.801 4.673 8.322 593 HG LEU 61 HG LEU 61 -7.902 1.776 7.492 594 HD11 LEU 61 HD11 LEU 61 -8.863 3.140 10.002 595 HD12 LEU 61 HD12 LEU 61 -7.485 2.047 9.880 596 HD13 LEU 61 HD13 LEU 61 -9.117 1.447 9.583 597 HD21 LEU 61 HD21 LEU 61 -9.556 3.151 6.331 598 HD22 LEU 61 HD22 LEU 61 -10.097 3.810 7.873 599 HD23 LEU 61 HD23 LEU 61 -10.325 2.098 7.517 600 H THR 62 H THR 62 -7.923 6.423 5.437 601 HA THR 62 HA THR 62 -5.429 7.793 6.133 602 HB THR 62 HB THR 62 -5.486 9.064 4.070 603 HG1 THR 62 HG1 THR 62 -7.249 7.813 2.586 604 HG21 THR 62 HG21 THR 62 -5.940 6.366 2.946 605 HG22 THR 62 HG22 THR 62 -4.725 6.491 4.213 606 HG23 THR 62 HG23 THR 62 -4.567 7.458 2.746 607 H THR 63 H THR 63 -6.224 10.320 5.227 608 HA THR 63 HA THR 63 -8.151 10.975 7.316 609 HB THR 63 HB THR 63 -7.322 13.260 7.072 610 HG1 THR 63 HG1 THR 63 -6.246 13.848 5.329 611 HG21 THR 63 HG21 THR 63 -6.020 11.913 8.547 612 HG22 THR 63 HG22 THR 63 -4.873 12.811 7.544 613 HG23 THR 63 HG23 THR 63 -5.213 11.112 7.198 614 H LYS 64 H LYS 64 -7.832 10.789 3.903 615 HA LYS 64 HA LYS 64 -10.277 12.387 3.516 616 HB2 LYS 64 HB3 LYS 64 -7.933 11.902 1.678 617 HB3 LYS 64 HB2 LYS 64 -9.414 12.696 1.170 618 HG2 LYS 64 HG3 LYS 64 -7.671 13.680 3.416 619 HG3 LYS 64 HG2 LYS 64 -7.537 14.231 1.746 620 HD2 LYS 64 HD3 LYS 64 -9.877 14.994 1.832 621 HD3 LYS 64 HD2 LYS 64 -9.969 14.480 3.517 622 HE2 LYS 64 HE3 LYS 64 -8.271 16.073 4.140 623 HE3 LYS 64 HE2 LYS 64 -8.018 16.517 2.455 624 HZ1 LYS 64 HZ1 LYS 64 -10.499 16.967 4.022 625 HZ2 LYS 64 HZ2 LYS 64 -10.289 17.360 2.392 626 HZ3 LYS 64 HZ3 LYS 64 -9.374 18.149 3.572 627 H LYS 65 H LYS 65 -8.996 9.254 3.349 628 HA LYS 65 HA LYS 65 -11.150 8.382 1.570 629 HB2 LYS 65 HB3 LYS 65 -8.209 7.880 1.179 630 HB3 LYS 65 HB2 LYS 65 -9.426 6.848 0.453 631 HG2 LYS 65 HG3 LYS 65 -9.103 9.796 -0.018 632 HG3 LYS 65 HG2 LYS 65 -8.640 8.500 -1.122 633 HD2 LYS 65 HD3 LYS 65 -11.442 9.119 -0.187 634 HD3 LYS 65 HD2 LYS 65 -10.770 9.490 -1.767 635 HE2 LYS 65 HE3 LYS 65 -10.486 7.128 -2.238 636 HE3 LYS 65 HE2 LYS 65 -11.082 6.721 -0.630 637 HZ1 LYS 65 HZ1 LYS 65 -12.794 6.483 -2.328 638 HZ2 LYS 65 HZ2 LYS 65 -12.645 8.121 -2.730 639 HZ3 LYS 65 HZ3 LYS 65 -13.211 7.671 -1.199 640 H ASP 66 H ASP 66 -9.896 5.776 1.385 641 HA ASP 66 HA ASP 66 -9.719 4.247 3.577 642 HB2 ASP 66 HB3 ASP 66 -11.672 5.090 4.653 643 HB3 ASP 66 HB2 ASP 66 -12.600 5.030 3.164 644 H THR 67 H THR 67 -9.458 2.220 2.859 645 HA THR 67 HA THR 67 -10.879 1.303 0.480 646 HB THR 67 HB THR 67 -8.787 0.512 -0.590 647 HG1 THR 67 HG1 THR 67 -7.630 1.869 1.614 648 HG21 THR 67 HG21 THR 67 -9.734 2.678 -1.275 649 HG22 THR 67 HG22 THR 67 -7.979 2.662 -1.409 650 HG23 THR 67 HG23 THR 67 -8.750 3.484 -0.054 651 H HIS 68 H HIS 68 -11.120 -0.972 0.479 652 HA HIS 68 HA HIS 68 -9.806 -2.363 2.689 653 HB2 HIS 68 HB3 HIS 68 -12.095 -1.539 3.390 654 HB3 HIS 68 HB2 HIS 68 -12.771 -2.623 2.178 655 HD1 HIS 68 HD1 HIS 68 -13.542 -3.071 5.075 656 HD2 HIS 68 HD2 HIS 68 -10.261 -4.886 3.287 657 HE1 HIS 68 HE1 HIS 68 -13.072 -5.128 6.442 658 HE2 HIS 68 HE2 HIS 68 -11.115 -6.250 5.302 659 H HIS 69 H HIS 69 -8.557 -3.517 1.289 660 HA HIS 69 HA HIS 69 -9.679 -5.044 -0.874 661 HB2 HIS 69 HB3 HIS 69 -7.005 -5.459 0.485 662 HB3 HIS 69 HB2 HIS 69 -7.479 -6.030 -1.106 663 HD1 HIS 69 HD1 HIS 69 -8.713 -3.131 -1.916 664 HD2 HIS 69 HD2 HIS 69 -4.890 -3.986 -0.523 665 HE1 HIS 69 HE1 HIS 69 -7.251 -1.243 -2.719 666 HE2 HIS 69 HE2 HIS 69 -4.899 -1.943 -2.104 667 H LYS 70 H LYS 70 -11.342 -6.202 0.129 668 HA LYS 70 HA LYS 70 -10.721 -7.863 2.414 669 HB2 LYS 70 HB3 LYS 70 -13.196 -8.505 2.113 670 HB3 LYS 70 HB2 LYS 70 -12.806 -6.877 2.644 671 HG2 LYS 70 HG3 LYS 70 -13.204 -6.005 0.453 672 HG3 LYS 70 HG2 LYS 70 -13.395 -7.628 -0.208 673 HD2 LYS 70 HD3 LYS 70 -15.532 -6.394 0.178 674 HD3 LYS 70 HD2 LYS 70 -15.437 -7.954 0.989 675 HE2 LYS 70 HE3 LYS 70 -14.557 -5.567 2.490 676 HE3 LYS 70 HE2 LYS 70 -16.283 -5.723 2.181 677 HZ1 LYS 70 HZ1 LYS 70 -15.597 -6.720 4.302 678 HZ2 LYS 70 HZ2 LYS 70 -14.612 -7.814 3.472 679 HZ3 LYS 70 HZ3 LYS 70 -16.288 -7.852 3.256 680 H ASP 71 H ASP 71 -9.986 -9.799 2.281 681 HA ASP 71 HA ASP 71 -9.685 -11.982 1.753 682 HB2 ASP 71 HB3 ASP 71 -12.286 -11.770 1.788 683 HB3 ASP 71 HB2 ASP 71 -12.149 -11.941 0.044 684 H TRP 72 H TRP 72 -7.888 -11.039 0.461 685 HA TRP 72 HA TRP 72 -8.240 -11.745 -2.380 686 HB2 TRP 72 HB3 TRP 72 -6.378 -10.181 -2.867 687 HB3 TRP 72 HB2 TRP 72 -7.786 -9.371 -2.190 688 HD1 TRP 72 HD1 TRP 72 -7.532 -8.289 0.231 689 HE1 TRP 72 HE1 TRP 72 -5.474 -7.680 1.648 690 HE3 TRP 72 HE3 TRP 72 -3.962 -10.936 -2.303 691 HZ2 TRP 72 HZ2 TRP 72 -2.707 -8.248 1.663 692 HZ3 TRP 72 HZ3 TRP 72 -1.646 -10.808 -1.481 693 HH2 TRP 72 HH2 TRP 72 -1.040 -9.504 0.442 694 H ALA 73 H ALA 73 -6.519 -12.854 -3.399 695 HA ALA 73 HA ALA 73 -4.605 -14.085 -1.526 696 HB1 ALA 73 HB1 ALA 73 -6.185 -15.708 -2.340 697 HB2 ALA 73 HB2 ALA 73 -4.614 -16.013 -3.082 698 HB3 ALA 73 HB3 ALA 73 -5.889 -15.214 -4.007 699 H LEU 74 H LEU 74 -2.462 -14.407 -2.299 700 HA LEU 74 HA LEU 74 -1.380 -12.561 -4.044 701 HB2 LEU 74 HB3 LEU 74 -0.411 -15.244 -3.139 702 HB3 LEU 74 HB2 LEU 74 0.515 -14.278 -4.268 703 HG LEU 74 HG LEU 74 0.124 -12.447 -2.351 704 HD11 LEU 74 HD11 LEU 74 0.522 -13.556 -0.166 705 HD12 LEU 74 HD12 LEU 74 0.161 -15.103 -0.932 706 HD13 LEU 74 HD13 LEU 74 -1.082 -13.854 -0.836 707 HD21 LEU 74 HD21 LEU 74 2.231 -12.930 -3.295 708 HD22 LEU 74 HD22 LEU 74 2.262 -14.547 -2.586 709 HD23 LEU 74 HD23 LEU 74 2.390 -13.126 -1.547 710 H GLY 75 H GLY 75 -0.911 -12.477 -6.136 711 HA2 GLY 75 HA3 GLY 75 -0.939 -13.011 -8.382 712 HA3 GLY 75 HA2 GLY 75 -1.329 -14.668 -7.952 713 H GLU 76 H GLU 76 -3.437 -12.521 -6.453 714 HA GLU 76 HA GLU 76 -5.502 -13.250 -8.396 715 HB2 GLU 76 HB3 GLU 76 -5.741 -13.932 -5.998 716 HB3 GLU 76 HB2 GLU 76 -5.858 -12.231 -5.580 717 HG2 GLU 76 HG3 GLU 76 -7.903 -12.007 -6.785 718 HG3 GLU 76 HG2 GLU 76 -7.751 -13.634 -7.448 719 H GLU 77 H GLU 77 -7.003 -11.760 -9.114 720 HA GLU 77 HA GLU 77 -6.226 -8.918 -8.890 721 HB2 GLU 77 HB3 GLU 77 -5.596 -9.854 -11.090 722 HB3 GLU 77 HB2 GLU 77 -7.251 -10.384 -11.344 723 HG2 GLU 77 HG3 GLU 77 -8.002 -8.065 -11.340 724 HG3 GLU 77 HG2 GLU 77 -6.347 -7.527 -11.066 725 H PHE 78 H PHE 78 -7.825 -7.848 -7.897 726 HA PHE 78 HA PHE 78 -10.601 -8.763 -8.271 727 HB2 PHE 78 HB3 PHE 78 -10.962 -8.217 -5.849 728 HB3 PHE 78 HB2 PHE 78 -9.887 -9.583 -6.122 729 HD1 PHE 78 HD1 PHE 78 -7.485 -9.375 -5.714 730 HD2 PHE 78 HD2 PHE 78 -10.172 -6.189 -4.851 731 HE1 PHE 78 HE1 PHE 78 -5.760 -8.304 -4.324 732 HE2 PHE 78 HE2 PHE 78 -8.453 -5.112 -3.462 733 HZ PHE 78 HZ PHE 78 -6.246 -6.166 -3.199 734 H GLN 79 H GLN 79 -12.218 -7.138 -8.029 735 HA GLN 79 HA GLN 79 -11.295 -4.471 -8.679 736 HB2 GLN 79 HB3 GLN 79 -13.294 -5.531 -9.778 737 HB3 GLN 79 HB2 GLN 79 -14.133 -5.420 -8.237 738 HG2 GLN 79 HG3 GLN 79 -14.022 -3.027 -8.280 739 HG3 GLN 79 HG2 GLN 79 -13.005 -3.059 -9.720 740 HE21 GLN 79 HE21 GLN 79 -16.214 -3.384 -8.467 741 HE22 GLN 79 HE22 GLN 79 -17.028 -3.404 -9.996 742 H ASP 80 H ASP 80 -11.644 -2.628 -7.407 743 HA ASP 80 HA ASP 80 -12.431 -3.017 -4.633 744 HB2 ASP 80 HB3 ASP 80 -9.951 -3.685 -4.995 745 HB3 ASP 80 HB2 ASP 80 -9.672 -1.957 -5.170 746 H GLU 81 H GLU 81 -12.088 -0.923 -3.385 747 HA GLU 81 HA GLU 81 -12.822 1.353 -5.105 748 HB2 GLU 81 HB3 GLU 81 -13.447 1.020 -2.163 749 HB3 GLU 81 HB2 GLU 81 -14.144 2.185 -3.278 750 HG2 GLU 81 HG3 GLU 81 -15.314 0.426 -4.444 751 HG3 GLU 81 HG2 GLU 81 -14.552 -0.792 -3.422 752 H ALA 82 H ALA 82 -10.787 2.105 -5.450 753 HA ALA 82 HA ALA 82 -8.821 1.930 -3.357 754 HB1 ALA 82 HB1 ALA 82 -8.553 3.042 -6.126 755 HB2 ALA 82 HB2 ALA 82 -8.373 1.346 -5.689 756 HB3 ALA 82 HB3 ALA 82 -7.242 2.545 -5.052 757 H LEU 83 H LEU 83 -7.167 3.812 -3.224 758 HA LEU 83 HA LEU 83 -8.307 5.958 -1.873 759 HB2 LEU 83 HB3 LEU 83 -5.623 5.794 -3.259 760 HB3 LEU 83 HB2 LEU 83 -6.096 7.116 -2.220 761 HG LEU 83 HG LEU 83 -4.714 5.765 -0.906 762 HD11 LEU 83 HD11 LEU 83 -6.170 4.866 0.845 763 HD12 LEU 83 HD12 LEU 83 -7.550 5.024 -0.239 764 HD13 LEU 83 HD13 LEU 83 -6.679 6.461 0.293 765 HD21 LEU 83 HD21 LEU 83 -6.270 3.372 -1.862 766 HD22 LEU 83 HD22 LEU 83 -5.007 3.339 -0.635 767 HD23 LEU 83 HD23 LEU 83 -4.616 3.797 -2.293 768 H ASP 84 H ASP 84 -7.556 5.512 -5.207 769 HA ASP 84 HA ASP 84 -7.784 8.226 -6.027 770 HB2 ASP 84 HB3 ASP 84 -7.874 7.210 -8.333 771 HB3 ASP 84 HB2 ASP 84 -6.468 6.770 -7.374 772 H SER 85 H SER 85 -10.089 6.213 -4.889 773 HA SER 85 HA SER 85 -12.324 6.429 -4.685 774 HB2 SER 85 HB3 SER 85 -11.961 8.981 -6.264 775 HB3 SER 85 HB2 SER 85 -13.394 8.535 -5.337 776 HG SER 85 HG SER 85 -10.888 9.385 -4.463 777 H THR 86 H THR 86 -11.092 5.090 -7.066 778 HA THR 86 HA THR 86 -13.587 5.058 -8.626 779 HB THR 86 HB THR 86 -12.186 4.174 -10.550 780 HG1 THR 86 HG1 THR 86 -10.155 4.943 -8.749 781 HG21 THR 86 HG21 THR 86 -13.116 6.413 -10.553 782 HG22 THR 86 HG22 THR 86 -11.503 6.423 -11.267 783 HG23 THR 86 HG23 THR 86 -11.744 7.006 -9.620 784 H GLN 87 H GLN 87 -13.911 2.925 -9.788 785 HA GLN 87 HA GLN 87 -13.501 0.783 -7.805 786 HB2 GLN 87 HB3 GLN 87 -15.565 0.926 -10.016 787 HB3 GLN 87 HB2 GLN 87 -15.518 -0.218 -8.684 788 HG2 GLN 87 HG3 GLN 87 -15.951 2.736 -8.392 789 HG3 GLN 87 HG2 GLN 87 -17.236 1.530 -8.447 790 HE21 GLN 87 HE21 GLN 87 -14.663 2.891 -6.585 791 HE22 GLN 87 HE22 GLN 87 -15.064 2.129 -5.089 792 H HIS 88 H HIS 88 -11.555 -0.122 -8.599 793 HA HIS 88 HA HIS 88 -11.629 -0.907 -11.414 794 HB2 HIS 88 HB3 HIS 88 -9.296 -0.128 -11.740 795 HB3 HIS 88 HB2 HIS 88 -10.460 1.171 -11.505 796 HD1 HIS 88 HD1 HIS 88 -7.913 -0.773 -9.437 797 HD2 HIS 88 HD2 HIS 88 -9.743 2.947 -9.656 798 HE1 HIS 88 HE1 HIS 88 -6.799 0.645 -7.677 799 HE2 HIS 88 HE2 HIS 88 -7.775 2.954 -7.992 800 H LYS 89 H LYS 89 -9.475 -2.158 -11.923 801 HA LYS 89 HA LYS 89 -9.673 -4.391 -10.100 802 HB2 LYS 89 HB3 LYS 89 -8.710 -5.699 -11.805 803 HB3 LYS 89 HB2 LYS 89 -9.753 -4.547 -12.631 804 HG2 LYS 89 HG3 LYS 89 -7.860 -3.214 -13.269 805 HG3 LYS 89 HG2 LYS 89 -6.774 -4.259 -12.348 806 HD2 LYS 89 HD3 LYS 89 -7.438 -6.157 -13.780 807 HD3 LYS 89 HD2 LYS 89 -8.438 -5.058 -14.733 808 HE2 LYS 89 HE3 LYS 89 -6.483 -3.779 -15.358 809 HE3 LYS 89 HE2 LYS 89 -5.464 -4.798 -14.340 810 HZ1 LYS 89 HZ1 LYS 89 -5.352 -5.415 -16.690 811 HZ2 LYS 89 HZ2 LYS 89 -7.010 -5.748 -16.692 812 HZ3 LYS 89 HZ3 LYS 89 -5.967 -6.677 -15.746 813 H ILE 90 H ILE 90 -7.936 -5.439 -9.138 814 HA ILE 90 HA ILE 90 -5.419 -3.974 -8.867 815 HB ILE 90 HB ILE 90 -7.242 -4.718 -6.579 816 HG12 ILE 90 HG13 ILE 90 -6.046 -2.092 -7.475 817 HG13 ILE 90 HG12 ILE 90 -7.740 -2.557 -7.568 818 HG21 ILE 90 HG21 ILE 90 -5.443 -3.998 -5.078 819 HG22 ILE 90 HG22 ILE 90 -4.366 -3.828 -6.467 820 HG23 ILE 90 HG23 ILE 90 -4.998 -5.418 -6.027 821 HD11 ILE 90 HD11 ILE 90 -7.800 -2.664 -5.112 822 HD12 ILE 90 HD12 ILE 90 -7.415 -1.058 -5.731 823 HD13 ILE 90 HD13 ILE 90 -6.137 -2.082 -5.072 824 H THR 91 H THR 91 -3.699 -5.310 -8.655 825 HA THR 91 HA THR 91 -4.254 -8.146 -8.076 826 HB THR 91 HB THR 91 -2.044 -7.062 -9.822 827 HG1 THR 91 HG1 THR 91 -4.666 -7.701 -10.335 828 HG21 THR 91 HG21 THR 91 -1.508 -9.200 -8.740 829 HG22 THR 91 HG22 THR 91 -1.722 -9.393 -10.480 830 HG23 THR 91 HG23 THR 91 -3.004 -9.887 -9.372 831 H PHE 92 H PHE 92 -3.025 -9.138 -6.589 832 HA PHE 92 HA PHE 92 -0.829 -7.597 -5.343 833 HB2 PHE 92 HB3 PHE 92 -3.073 -9.102 -4.110 834 HB3 PHE 92 HB2 PHE 92 -1.493 -9.284 -3.356 835 HD1 PHE 92 HD1 PHE 92 -4.220 -6.972 -4.112 836 HD2 PHE 92 HD2 PHE 92 -0.449 -7.441 -2.206 837 HE1 PHE 92 HE1 PHE 92 -4.557 -4.840 -2.937 838 HE2 PHE 92 HE2 PHE 92 -0.779 -5.313 -1.025 839 HZ PHE 92 HZ PHE 92 -2.835 -4.057 -1.305 840 H ASP 93 H ASP 93 1.080 -8.688 -4.999 841 HA ASP 93 HA ASP 93 1.317 -11.504 -5.038 842 HB2 ASP 93 HB3 ASP 93 2.316 -11.913 -7.174 843 HB3 ASP 93 HB2 ASP 93 0.788 -11.096 -7.464 844 H LEU 94 H LEU 94 3.735 -12.109 -5.417 845 HA LEU 94 HA LEU 94 5.310 -10.126 -3.936 846 HB2 LEU 94 HB3 LEU 94 5.157 -13.043 -3.919 847 HB3 LEU 94 HB2 LEU 94 6.804 -12.456 -4.027 848 HG LEU 94 HG LEU 94 5.984 -12.928 -1.694 849 HD11 LEU 94 HD11 LEU 94 6.828 -10.098 -2.284 850 HD12 LEU 94 HD12 LEU 94 7.899 -11.485 -2.086 851 HD13 LEU 94 HD13 LEU 94 6.943 -10.907 -0.721 852 HD21 LEU 94 HD21 LEU 94 3.695 -11.989 -2.124 853 HD22 LEU 94 HD22 LEU 94 4.415 -10.385 -2.023 854 HD23 LEU 94 HD23 LEU 94 4.462 -11.463 -0.629 855 H LYS 95 H LYS 95 6.758 -9.003 -4.964 856 HA LYS 95 HA LYS 95 7.412 -9.642 -7.729 857 HB2 LYS 95 HB3 LYS 95 6.695 -7.375 -7.159 858 HB3 LYS 95 HB2 LYS 95 7.985 -7.241 -5.978 859 HG2 LYS 95 HG3 LYS 95 9.641 -7.322 -7.761 860 HG3 LYS 95 HG2 LYS 95 8.351 -7.493 -8.957 861 HD2 LYS 95 HD3 LYS 95 7.477 -5.328 -8.410 862 HD3 LYS 95 HD2 LYS 95 8.584 -5.170 -7.048 863 HE2 LYS 95 HE3 LYS 95 10.476 -5.108 -8.565 864 HE3 LYS 95 HE2 LYS 95 9.404 -5.357 -9.943 865 HZ1 LYS 95 HZ1 LYS 95 9.217 -3.027 -8.106 866 HZ2 LYS 95 HZ2 LYS 95 8.401 -3.248 -9.574 867 HZ3 LYS 95 HZ3 LYS 95 10.074 -3.012 -9.569 868 H ASP 96 H ASP 96 9.053 -8.846 -4.709 869 HA ASP 96 HA ASP 96 11.337 -10.505 -5.528 870 HB2 ASP 96 HB3 ASP 96 11.407 -7.832 -4.099 871 HB3 ASP 96 HB2 ASP 96 12.788 -8.903 -4.233 872 HA PRO 97 HA PRO 97 10.862 -12.603 -1.698 873 HB2 PRO 97 HB3 PRO 97 13.663 -12.117 -0.894 874 HB3 PRO 97 HB2 PRO 97 12.843 -13.641 -1.243 875 HG2 PRO 97 HG3 PRO 97 14.643 -12.636 -2.937 876 HG3 PRO 97 HG2 PRO 97 13.183 -13.450 -3.532 877 HD2 PRO 97 HD3 PRO 97 13.748 -10.516 -3.290 878 HD3 PRO 97 HD2 PRO 97 13.010 -11.400 -4.639 879 H ASN 98 H ASN 98 11.345 -9.379 -1.662 880 HA ASN 98 HA ASN 98 10.473 -9.199 1.090 881 HB2 ASN 98 HB3 ASN 98 13.021 -8.990 1.076 882 HB3 ASN 98 HB2 ASN 98 12.793 -7.481 0.200 883 HD21 ASN 98 HD21 ASN 98 13.646 -6.207 1.809 884 HD22 ASN 98 HD22 ASN 98 12.852 -5.940 3.327 885 H THR 99 H THR 99 9.411 -8.786 -1.642 886 HA THR 99 HA THR 99 8.464 -6.039 -1.279 887 HB THR 99 HB THR 99 9.410 -7.059 -3.964 888 HG1 THR 99 HG1 THR 99 10.954 -5.186 -3.532 889 HG21 THR 99 HG21 THR 99 9.072 -4.736 -4.679 890 HG22 THR 99 HG22 THR 99 8.465 -4.331 -3.074 891 HG23 THR 99 HG23 THR 99 7.571 -5.456 -4.098 892 H LEU 100 H LEU 100 6.379 -6.448 -0.904 893 HA LEU 100 HA LEU 100 4.852 -8.257 -2.622 894 HB2 LEU 100 HB3 LEU 100 4.284 -8.435 -0.332 895 HB3 LEU 100 HB2 LEU 100 4.280 -6.701 -0.112 896 HG LEU 100 HG LEU 100 2.226 -6.631 -1.589 897 HD11 LEU 100 HD11 LEU 100 2.448 -8.772 -2.662 898 HD12 LEU 100 HD12 LEU 100 0.944 -8.715 -1.745 899 HD13 LEU 100 HD13 LEU 100 2.331 -9.596 -1.109 900 HD21 LEU 100 HD21 LEU 100 2.115 -8.097 1.040 901 HD22 LEU 100 HD22 LEU 100 0.729 -7.367 0.231 902 HD23 LEU 100 HD23 LEU 100 2.057 -6.352 0.798 903 H THR 101 H THR 101 3.515 -7.485 -4.307 904 HA THR 101 HA THR 101 3.619 -4.566 -4.645 905 HB THR 101 HB THR 101 3.076 -5.355 -7.128 906 HG1 THR 101 HG1 THR 101 3.095 -7.550 -6.902 907 HG21 THR 101 HG21 THR 101 5.804 -5.350 -5.840 908 HG22 THR 101 HG22 THR 101 4.954 -3.972 -6.539 909 HG23 THR 101 HG23 THR 101 5.512 -5.281 -7.579 910 H GLU 102 H GLU 102 1.812 -3.428 -4.863 911 HA GLU 102 HA GLU 102 -0.686 -4.858 -5.501 912 HB2 GLU 102 HB3 GLU 102 -0.790 -3.533 -3.393 913 HB3 GLU 102 HB2 GLU 102 -0.388 -2.084 -4.311 914 HG2 GLU 102 HG3 GLU 102 -2.445 -2.585 -5.713 915 HG3 GLU 102 HG2 GLU 102 -2.876 -3.758 -4.477 916 H THR 103 H THR 103 -0.817 -4.861 -7.672 917 HA THR 103 HA THR 103 -0.137 -2.406 -9.124 918 HB THR 103 HB THR 103 -0.782 -5.165 -10.196 919 HG1 THR 103 HG1 THR 103 1.598 -3.918 -9.380 920 HG21 THR 103 HG21 THR 103 0.361 -2.720 -11.559 921 HG22 THR 103 HG22 THR 103 -1.251 -3.393 -11.810 922 HG23 THR 103 HG23 THR 103 0.174 -4.312 -12.298 923 H HIS 104 H HIS 104 -1.832 -1.039 -9.259 924 HA HIS 104 HA HIS 104 -4.477 -2.274 -9.574 925 HB2 HIS 104 HB3 HIS 104 -5.471 -0.370 -8.435 926 HB3 HIS 104 HB2 HIS 104 -4.291 -1.169 -7.415 927 HD1 HIS 104 HD1 HIS 104 -5.067 2.072 -9.048 928 HD2 HIS 104 HD2 HIS 104 -1.989 0.383 -6.826 929 HE1 HIS 104 HE1 HIS 104 -3.687 4.001 -8.248 930 HE2 HIS 104 HE2 HIS 104 -1.860 2.975 -6.863 931 H ILE 105 H ILE 105 -5.463 -1.977 -11.376 932 HA ILE 105 HA ILE 105 -4.648 0.262 -13.106 933 HB ILE 105 HB ILE 105 -5.742 -2.436 -13.911 934 HG12 ILE 105 HG13 ILE 105 -2.995 -1.207 -14.173 935 HG13 ILE 105 HG12 ILE 105 -3.434 -2.609 -13.204 936 HG21 ILE 105 HG21 ILE 105 -6.530 -0.689 -15.410 937 HG22 ILE 105 HG22 ILE 105 -5.324 -1.691 -16.218 938 HG23 ILE 105 HG23 ILE 105 -4.878 -0.098 -15.611 939 HD11 ILE 105 HD11 ILE 105 -3.511 -2.430 -16.201 940 HD12 ILE 105 HD12 ILE 105 -3.950 -3.841 -15.241 941 HD13 ILE 105 HD13 ILE 105 -2.286 -3.255 -15.236 942 H LYS 106 H LYS 106 -6.118 1.742 -13.460 943 HA LYS 106 HA LYS 106 -8.767 1.613 -12.587 944 HB2 LYS 106 HB3 LYS 106 -7.438 3.414 -14.610 945 HB3 LYS 106 HB2 LYS 106 -9.090 3.638 -14.051 946 HG2 LYS 106 HG3 LYS 106 -8.333 3.993 -11.797 947 HG3 LYS 106 HG2 LYS 106 -6.672 3.619 -12.258 948 HD2 LYS 106 HD3 LYS 106 -6.603 5.573 -13.695 949 HD3 LYS 106 HD2 LYS 106 -8.294 5.924 -13.337 950 HE2 LYS 106 HE3 LYS 106 -7.770 6.352 -11.029 951 HE3 LYS 106 HE2 LYS 106 -6.104 5.828 -11.266 952 HZ1 LYS 106 HZ1 LYS 106 -7.292 8.139 -12.693 953 HZ2 LYS 106 HZ2 LYS 106 -5.653 7.711 -12.598 954 HZ3 LYS 106 HZ3 LYS 106 -6.462 8.283 -11.228 955 H VAL 107 H VAL 107 -10.371 0.545 -13.310 956 HA VAL 107 HA VAL 107 -10.562 -0.920 -15.641 957 HB VAL 107 HB VAL 107 -13.067 -0.841 -15.262 958 HG11 VAL 107 HG11 VAL 107 -11.162 -1.730 -13.104 959 HG12 VAL 107 HG12 VAL 107 -11.786 -2.691 -14.443 960 HG13 VAL 107 HG13 VAL 107 -12.866 -2.174 -13.149 961 HG21 VAL 107 HG21 VAL 107 -13.746 0.083 -13.110 962 HG22 VAL 107 HG22 VAL 107 -13.070 1.318 -14.177 963 HG23 VAL 107 HG23 VAL 107 -12.098 0.659 -12.866 964 H ASP 108 H ASP 108 -11.187 2.416 -15.052 965 HA ASP 108 HA ASP 108 -12.582 2.856 -17.543 966 HB2 ASP 108 HB3 ASP 108 -11.594 4.721 -15.384 967 HB3 ASP 108 HB2 ASP 108 -12.345 5.296 -16.866 968 H ASP 109 H ASP 109 -9.536 4.061 -16.123 969 HA ASP 109 HA ASP 109 -8.464 4.240 -18.855 970 HB2 ASP 109 HB3 ASP 109 -7.964 6.078 -16.502 971 HB3 ASP 109 HB2 ASP 109 -7.004 6.101 -17.975 972 HA PRO 110 HA PRO 110 -5.686 1.274 -16.797 973 HB2 PRO 110 HB3 PRO 110 -5.024 0.045 -19.125 974 HB3 PRO 110 HB2 PRO 110 -6.472 -0.362 -18.205 975 HG2 PRO 110 HG3 PRO 110 -6.202 1.391 -20.609 976 HG3 PRO 110 HG2 PRO 110 -7.430 0.173 -20.239 977 HD2 PRO 110 HD3 PRO 110 -7.877 2.787 -19.902 978 HD3 PRO 110 HD2 PRO 110 -8.599 1.559 -18.852 979 H THR 111 H THR 111 -5.425 3.832 -18.917 980 HA THR 111 HA THR 111 -2.649 3.696 -19.567 981 HB THR 111 HB THR 111 -3.022 6.175 -20.076 982 HG1 THR 111 HG1 THR 111 -4.783 6.880 -19.080 983 HG21 THR 111 HG21 THR 111 -4.837 4.145 -21.373 984 HG22 THR 111 HG22 THR 111 -3.155 4.452 -21.800 985 HG23 THR 111 HG23 THR 111 -4.375 5.698 -22.069 986 H ASP 112 H ASP 112 -4.563 4.841 -16.915 987 HA ASP 112 HA ASP 112 -2.206 6.112 -15.703 988 HB2 ASP 112 HB3 ASP 112 -4.423 7.382 -15.934 989 HB3 ASP 112 HB2 ASP 112 -5.030 6.318 -14.670 990 H VAL 113 H VAL 113 -1.933 3.497 -15.698 991 HA VAL 113 HA VAL 113 -2.903 2.164 -13.421 992 HB VAL 113 HB VAL 113 -2.050 1.003 -15.400 993 HG11 VAL 113 HG11 VAL 113 0.367 0.936 -15.856 994 HG12 VAL 113 HG12 VAL 113 0.617 2.161 -14.610 995 HG13 VAL 113 HG13 VAL 113 -0.310 2.552 -16.058 996 HG21 VAL 113 HG21 VAL 113 -0.796 -0.687 -14.314 997 HG22 VAL 113 HG22 VAL 113 -1.941 -0.032 -13.143 998 HG23 VAL 113 HG23 VAL 113 -0.248 0.440 -13.078 999 H GLU 114 H GLU 114 -1.618 1.564 -11.529 1000 HA GLU 114 HA GLU 114 0.866 2.972 -11.058 1001 HB2 GLU 114 HB3 GLU 114 -1.007 4.534 -10.370 1002 HB3 GLU 114 HB2 GLU 114 -1.432 3.357 -9.137 1003 HG2 GLU 114 HG3 GLU 114 0.880 3.606 -8.218 1004 HG3 GLU 114 HG2 GLU 114 1.123 4.917 -9.368 1005 H THR 115 H THR 115 2.059 2.047 -9.309 1006 HA THR 115 HA THR 115 0.926 -0.418 -8.200 1007 HB THR 115 HB THR 115 3.660 -0.216 -9.479 1008 HG1 THR 115 HG1 THR 115 2.154 -0.428 -11.092 1009 HG21 THR 115 HG21 THR 115 2.262 -2.574 -8.209 1010 HG22 THR 115 HG22 THR 115 3.646 -1.713 -7.539 1011 HG23 THR 115 HG23 THR 115 3.817 -2.621 -9.040 1012 H TYR 116 H TYR 116 1.297 -0.683 -6.132 1013 HA TYR 116 HA TYR 116 3.278 1.030 -4.778 1014 HB2 TYR 116 HB3 TYR 116 1.053 -0.614 -3.543 1015 HB3 TYR 116 HB2 TYR 116 2.071 0.559 -2.722 1016 HD1 TYR 116 HD1 TYR 116 2.015 2.780 -4.704 1017 HD2 TYR 116 HD2 TYR 116 -1.097 0.270 -3.257 1018 HE1 TYR 116 HE1 TYR 116 0.374 4.548 -5.180 1019 HE2 TYR 116 HE2 TYR 116 -2.741 2.031 -3.726 1020 HH TYR 116 HH TYR 116 -2.893 4.352 -4.044 1021 H GLU 117 H GLU 117 4.800 -0.057 -3.208 1022 HA GLU 117 HA GLU 117 4.998 -2.926 -3.664 1023 HB2 GLU 117 HB3 GLU 117 7.293 -0.957 -3.847 1024 HB3 GLU 117 HB2 GLU 117 7.413 -2.701 -4.008 1025 HG2 GLU 117 HG3 GLU 117 6.189 -2.659 -6.058 1026 HG3 GLU 117 HG2 GLU 117 5.829 -0.946 -5.866 1027 H TYR 118 H TYR 118 5.292 -3.935 -1.768 1028 HA TYR 118 HA TYR 118 5.757 -2.239 0.584 1029 HB2 TYR 118 HB3 TYR 118 4.317 -4.898 0.381 1030 HB3 TYR 118 HB2 TYR 118 4.465 -3.910 1.835 1031 HD1 TYR 118 HD1 TYR 118 3.596 -1.436 1.568 1032 HD2 TYR 118 HD2 TYR 118 2.383 -4.659 -0.918 1033 HE1 TYR 118 HE1 TYR 118 1.579 -0.197 0.948 1034 HE2 TYR 118 HE2 TYR 118 0.377 -3.431 -1.544 1035 HH TYR 118 HH TYR 118 -0.910 -1.705 -0.988 1036 H ARG 119 H ARG 119 7.728 -2.379 1.364 1037 HA ARG 119 HA ARG 119 9.058 -5.016 1.419 1038 HB2 ARG 119 HB3 ARG 119 10.412 -2.315 1.520 1039 HB3 ARG 119 HB2 ARG 119 11.189 -3.883 1.375 1040 HG2 ARG 119 HG3 ARG 119 9.996 -4.134 -0.835 1041 HG3 ARG 119 HG2 ARG 119 9.557 -2.431 -0.684 1042 HD2 ARG 119 HD3 ARG 119 12.342 -3.581 -0.765 1043 HD3 ARG 119 HD2 ARG 119 11.553 -2.647 -2.032 1044 HE ARG 119 HE ARG 119 11.580 -0.744 -0.436 1045 HH11 ARG 119 HH11 ARG 119 13.842 -3.390 -0.005 1046 HH12 ARG 119 HH12 ARG 119 15.019 -2.417 0.810 1047 HH21 ARG 119 HH21 ARG 119 13.138 0.537 0.644 1048 HH22 ARG 119 HH22 ARG 119 14.619 -0.185 1.188 1049 H ARG 120 H ARG 120 10.432 -5.411 3.322 1050 HA ARG 120 HA ARG 120 9.572 -3.836 5.659 1051 HB2 ARG 120 HB3 ARG 120 10.326 -6.736 5.424 1052 HB3 ARG 120 HB2 ARG 120 10.383 -5.901 6.968 1053 HG2 ARG 120 HG3 ARG 120 7.955 -6.235 5.225 1054 HG3 ARG 120 HG2 ARG 120 8.307 -7.119 6.708 1055 HD2 ARG 120 HD3 ARG 120 7.787 -4.162 6.438 1056 HD3 ARG 120 HD2 ARG 120 6.730 -5.358 7.178 1057 HE ARG 120 HE ARG 120 9.340 -4.532 8.288 1058 HH11 ARG 120 HH11 ARG 120 6.115 -5.816 8.717 1059 HH12 ARG 120 HH12 ARG 120 6.131 -5.630 10.440 1060 HH21 ARG 120 HH21 ARG 120 9.371 -4.305 10.566 1061 HH22 ARG 120 HH22 ARG 120 7.983 -4.788 11.489 1062 H ASP 121 H ASP 121 11.013 -2.830 6.861 1063 HA ASP 121 HA ASP 121 13.782 -3.671 6.929 1064 HB2 ASP 121 HB3 ASP 121 13.748 -2.098 5.025 1065 HB3 ASP 121 HB2 ASP 121 13.011 -0.878 6.056 1066 H GLY 122 H GLY 122 13.657 -4.069 9.073 1067 HA2 GLY 122 HA3 GLY 122 13.728 -3.548 11.323 1068 HA3 GLY 122 HA2 GLY 122 13.591 -1.849 10.887 1069 H ASP 123 H ASP 123 12.042 -1.315 12.401 1070 HA ASP 123 HA ASP 123 9.544 -2.799 12.515 1071 HB2 ASP 123 HB3 ASP 123 10.646 -1.799 14.552 1072 HB3 ASP 123 HB2 ASP 123 10.269 -0.206 13.908 1073 H TYR 124 H TYR 124 10.331 -1.531 10.035 1074 HA TYR 124 HA TYR 124 8.171 0.441 9.729 1075 HB2 TYR 124 HB3 TYR 124 10.884 0.360 8.406 1076 HB3 TYR 124 HB2 TYR 124 9.566 1.384 7.850 1077 HD1 TYR 124 HD1 TYR 124 11.482 0.625 10.955 1078 HD2 TYR 124 HD2 TYR 124 9.462 3.544 8.621 1079 HE1 TYR 124 HE1 TYR 124 12.179 2.357 12.536 1080 HE2 TYR 124 HE2 TYR 124 10.157 5.291 10.196 1081 HH TYR 124 HH TYR 124 10.949 5.618 12.374 1082 H LEU 125 H LEU 125 6.638 -0.118 8.315 1083 HA LEU 125 HA LEU 125 7.143 -2.089 6.278 1084 HB2 LEU 125 HB3 LEU 125 4.914 -1.818 7.371 1085 HB3 LEU 125 HB2 LEU 125 4.798 -0.212 6.703 1086 HG LEU 125 HG LEU 125 3.475 -2.120 5.593 1087 HD11 LEU 125 HD11 LEU 125 3.599 -1.105 3.437 1088 HD12 LEU 125 HD12 LEU 125 5.198 -0.446 3.779 1089 HD13 LEU 125 HD13 LEU 125 3.790 0.162 4.648 1090 HD21 LEU 125 HD21 LEU 125 4.659 -3.376 3.887 1091 HD22 LEU 125 HD22 LEU 125 5.308 -3.725 5.489 1092 HD23 LEU 125 HD23 LEU 125 6.184 -2.654 4.394 1093 H VAL 126 H VAL 126 8.466 -1.484 4.682 1094 HA VAL 126 HA VAL 126 8.712 1.376 4.121 1095 HB VAL 126 HB VAL 126 10.549 -0.883 3.303 1096 HG11 VAL 126 HG11 VAL 126 10.547 0.912 1.644 1097 HG12 VAL 126 HG12 VAL 126 12.063 0.904 2.545 1098 HG13 VAL 126 HG13 VAL 126 10.824 2.104 2.913 1099 HG21 VAL 126 HG21 VAL 126 10.740 -0.480 5.654 1100 HG22 VAL 126 HG22 VAL 126 10.761 1.266 5.408 1101 HG23 VAL 126 HG23 VAL 126 12.122 0.287 4.868 1102 H MET 127 H MET 127 7.170 1.877 2.831 1103 HA MET 127 HA MET 127 6.391 0.127 0.646 1104 HB2 MET 127 HB3 MET 127 4.663 1.061 2.072 1105 HB3 MET 127 HB2 MET 127 5.226 2.685 1.739 1106 HG2 MET 127 HG3 MET 127 4.624 2.357 -0.631 1107 HG3 MET 127 HG2 MET 127 3.956 0.781 -0.199 1108 HE1 MET 127 HE1 MET 127 1.445 1.170 -0.887 1109 HE2 MET 127 HE2 MET 127 2.198 2.540 -1.706 1110 HE3 MET 127 HE3 MET 127 0.715 2.772 -0.775 1111 H LYS 128 H LYS 128 6.532 0.730 -1.521 1112 HA LYS 128 HA LYS 128 8.182 3.104 -2.047 1113 HB2 LYS 128 HB3 LYS 128 9.598 1.086 -2.090 1114 HB3 LYS 128 HB2 LYS 128 8.534 0.369 -3.289 1115 HG2 LYS 128 HG3 LYS 128 9.072 2.386 -4.742 1116 HG3 LYS 128 HG2 LYS 128 10.374 2.714 -3.597 1117 HD2 LYS 128 HD3 LYS 128 11.345 0.537 -4.033 1118 HD3 LYS 128 HD2 LYS 128 10.005 0.130 -5.108 1119 HE2 LYS 128 HE3 LYS 128 10.652 2.065 -6.534 1120 HE3 LYS 128 HE2 LYS 128 12.068 2.289 -5.507 1121 HZ1 LYS 128 HZ1 LYS 128 11.443 -0.121 -7.121 1122 HZ2 LYS 128 HZ2 LYS 128 12.778 0.044 -6.096 1123 HZ3 LYS 128 HZ3 LYS 128 12.634 1.032 -7.463 1124 H MET 129 H MET 129 7.667 4.239 -3.819 1125 HA MET 129 HA MET 129 5.683 3.156 -5.695 1126 HB2 MET 129 HB3 MET 129 5.565 5.956 -4.539 1127 HB3 MET 129 HB2 MET 129 4.387 5.200 -5.604 1128 HG2 MET 129 HG3 MET 129 3.571 3.816 -3.917 1129 HG3 MET 129 HG2 MET 129 4.991 4.057 -2.904 1130 HE1 MET 129 HE1 MET 129 1.610 5.528 -4.175 1131 HE2 MET 129 HE2 MET 129 2.760 6.697 -4.822 1132 HE3 MET 129 HE3 MET 129 1.648 7.173 -3.535 1133 H SER 130 H SER 130 6.265 3.609 -7.817 1134 HA SER 130 HA SER 130 8.157 5.794 -8.233 1135 HB2 SER 130 HB3 SER 130 9.432 4.255 -9.832 1136 HB3 SER 130 HB2 SER 130 9.673 4.009 -8.105 1137 HG SER 130 HG SER 130 7.868 2.392 -8.405 1138 H TRP 131 H TRP 131 7.640 7.028 -9.832 1139 HA TRP 131 HA TRP 131 6.355 5.953 -12.219 1140 HB2 TRP 131 HB3 TRP 131 4.574 6.760 -10.541 1141 HB3 TRP 131 HB2 TRP 131 5.178 8.383 -10.870 1142 HD1 TRP 131 HD1 TRP 131 4.275 9.565 -12.990 1143 HE1 TRP 131 HE1 TRP 131 2.719 8.880 -14.923 1144 HE3 TRP 131 HE3 TRP 131 3.885 4.565 -11.985 1145 HZ2 TRP 131 HZ2 TRP 131 1.498 6.537 -15.896 1146 HZ3 TRP 131 HZ3 TRP 131 2.509 3.176 -13.478 1147 HH2 TRP 131 HH2 TRP 131 1.338 4.143 -15.387 1148 H LYS 132 H LYS 132 6.989 6.958 -14.026 1149 HA LYS 132 HA LYS 132 8.390 8.095 -15.370 1150 HB2 LYS 132 HB3 LYS 132 7.748 10.391 -13.517 1151 HB3 LYS 132 HB2 LYS 132 8.456 10.540 -15.118 1152 HG2 LYS 132 HG3 LYS 132 5.716 9.463 -14.485 1153 HG3 LYS 132 HG2 LYS 132 6.084 11.050 -15.162 1154 HD2 LYS 132 HD3 LYS 132 7.039 9.992 -17.143 1155 HD3 LYS 132 HD2 LYS 132 6.708 8.399 -16.462 1156 HE2 LYS 132 HE3 LYS 132 4.306 8.927 -16.444 1157 HE3 LYS 132 HE2 LYS 132 4.659 10.490 -17.181 1158 HZ1 LYS 132 HZ1 LYS 132 5.522 9.370 -19.117 1159 HZ2 LYS 132 HZ2 LYS 132 3.952 8.824 -18.805 1160 HZ3 LYS 132 HZ3 LYS 132 5.277 7.858 -18.401 1161 H GLY 133 H GLY 133 9.689 6.607 -13.463 1162 HA2 GLY 133 HA3 GLY 133 11.879 6.278 -12.820 1163 HA3 GLY 133 HA2 GLY 133 12.262 7.862 -13.469 1164 H VAL 134 H VAL 134 9.804 8.541 -11.505 1165 HA VAL 134 HA VAL 134 11.593 9.431 -9.402 1166 HB VAL 134 HB VAL 134 8.606 9.851 -9.577 1167 HG11 VAL 134 HG11 VAL 134 9.531 10.179 -7.353 1168 HG12 VAL 134 HG12 VAL 134 9.046 11.725 -8.052 1169 HG13 VAL 134 HG13 VAL 134 10.749 11.274 -8.004 1170 HG21 VAL 134 HG21 VAL 134 9.126 12.066 -10.486 1171 HG22 VAL 134 HG22 VAL 134 9.671 10.774 -11.556 1172 HG23 VAL 134 HG23 VAL 134 10.836 11.632 -10.547 1173 H SER 135 H SER 135 12.134 7.876 -7.991 1174 HA SER 135 HA SER 135 10.048 6.120 -6.973 1175 HB2 SER 135 HB3 SER 135 12.422 5.422 -5.733 1176 HB3 SER 135 HB2 SER 135 11.702 4.637 -7.132 1177 HG SER 135 HG SER 135 13.965 6.116 -6.967 1178 H THR 136 H THR 136 9.124 6.470 -5.154 1179 HA THR 136 HA THR 136 10.387 8.299 -3.219 1180 HB THR 136 HB THR 136 8.419 9.370 -4.101 1181 HG1 THR 136 HG1 THR 136 8.770 9.391 -1.759 1182 HG21 THR 136 HG21 THR 136 6.862 6.912 -3.311 1183 HG22 THR 136 HG22 THR 136 7.282 7.365 -4.963 1184 HG23 THR 136 HG23 THR 136 6.202 8.389 -4.015 1185 H SER 137 H SER 137 10.584 7.626 -1.137 1186 HA SER 137 HA SER 137 9.665 4.906 -0.578 1187 HB2 SER 137 HB3 SER 137 11.275 5.188 1.439 1188 HB3 SER 137 HB2 SER 137 11.965 4.946 -0.162 1189 HG SER 137 HG SER 137 12.208 7.252 -0.279 1190 H ARG 138 H ARG 138 7.996 4.623 0.619 1191 HA ARG 138 HA ARG 138 6.963 6.846 2.238 1192 HB2 ARG 138 HB3 ARG 138 5.630 5.844 0.320 1193 HB3 ARG 138 HB2 ARG 138 5.519 4.381 1.270 1194 HG2 ARG 138 HG3 ARG 138 3.503 5.484 1.615 1195 HG3 ARG 138 HG2 ARG 138 4.448 5.805 3.069 1196 HD2 ARG 138 HD3 ARG 138 4.821 8.017 2.489 1197 HD3 ARG 138 HD2 ARG 138 4.521 7.723 0.777 1198 HE ARG 138 HE ARG 138 2.117 7.206 1.782 1199 HH11 ARG 138 HH11 ARG 138 4.308 9.861 2.410 1200 HH12 ARG 138 HH12 ARG 138 3.054 10.991 2.784 1201 HH21 ARG 138 HH21 ARG 138 0.457 8.693 2.275 1202 HH22 ARG 138 HH22 ARG 138 0.851 10.324 2.706 1203 H TYR 139 H TYR 139 7.914 6.569 4.209 1204 HA TYR 139 HA TYR 139 8.428 3.906 5.215 1205 HB2 TYR 139 HB3 TYR 139 9.148 6.643 6.246 1206 HB3 TYR 139 HB2 TYR 139 9.532 5.160 7.110 1207 HD1 TYR 139 HD1 TYR 139 10.577 7.456 4.610 1208 HD2 TYR 139 HD2 TYR 139 10.949 3.404 5.854 1209 HE1 TYR 139 HE1 TYR 139 12.642 7.251 3.297 1210 HE2 TYR 139 HE2 TYR 139 13.019 3.189 4.542 1211 HH TYR 139 HH TYR 139 14.139 4.232 2.674 1212 H TYR 140 H TYR 140 6.838 2.874 6.124 1213 HA TYR 140 HA TYR 140 4.928 4.310 7.805 1214 HB2 TYR 140 HB3 TYR 140 4.921 1.617 6.487 1215 HB3 TYR 140 HB2 TYR 140 3.815 1.964 7.813 1216 HD1 TYR 140 HD1 TYR 140 1.966 3.515 7.506 1217 HD2 TYR 140 HD2 TYR 140 4.695 2.712 4.345 1218 HE1 TYR 140 HE1 TYR 140 0.415 4.555 5.901 1219 HE2 TYR 140 HE2 TYR 140 3.154 3.738 2.740 1220 HH TYR 140 HH TYR 140 0.021 5.070 3.764 1221 H LYS 141 H LYS 141 4.972 4.174 9.936 1222 HA LYS 141 HA LYS 141 6.857 2.339 11.207 1223 HB2 LYS 141 HB3 LYS 141 7.339 4.619 11.767 1224 HB3 LYS 141 HB2 LYS 141 5.638 4.990 12.003 1225 HG2 LYS 141 HG3 LYS 141 6.884 4.853 14.106 1226 HG3 LYS 141 HG2 LYS 141 5.583 3.661 14.005 1227 HD2 LYS 141 HD3 LYS 141 7.434 2.519 14.864 1228 HD3 LYS 141 HD2 LYS 141 7.327 2.030 13.189 1229 HE2 LYS 141 HE3 LYS 141 9.628 2.463 13.786 1230 HE3 LYS 141 HE2 LYS 141 9.061 3.656 12.619 1231 HZ1 LYS 141 HZ1 LYS 141 8.862 5.282 14.325 1232 HZ2 LYS 141 HZ2 LYS 141 10.392 4.573 14.492 1233 HZ3 LYS 141 HZ3 LYS 141 9.143 4.137 15.544 1234 H LYS 142 H LYS 142 5.988 0.729 12.438 1235 HA LYS 142 HA LYS 142 3.455 -0.172 11.993 1236 HB2 LYS 142 HB3 LYS 142 5.427 -1.402 12.958 1237 HB3 LYS 142 HB2 LYS 142 4.971 -0.753 14.525 1238 HG2 LYS 142 HG3 LYS 142 2.882 -1.928 14.471 1239 HG3 LYS 142 HG2 LYS 142 3.172 -2.451 12.810 1240 HD2 LYS 142 HD3 LYS 142 5.173 -3.682 13.596 1241 HD3 LYS 142 HD2 LYS 142 4.760 -3.239 15.250 1242 HE2 LYS 142 HE3 LYS 142 2.661 -4.446 15.072 1243 HE3 LYS 142 HE2 LYS 142 3.001 -4.828 13.386 1244 HZ1 LYS 142 HZ1 LYS 142 4.559 -5.752 15.739 1245 HZ2 LYS 142 HZ2 LYS 142 4.958 -6.070 14.131 1246 HZ3 LYS 142 HZ3 LYS 142 3.533 -6.698 14.785 1247 H GLN 143 H GLN 143 1.530 -0.489 13.438 1248 HA GLN 143 HA GLN 143 0.924 1.694 15.172 1249 HB2 GLN 143 HB3 GLN 143 -0.418 -0.991 14.804 1250 HB3 GLN 143 HB2 GLN 143 -1.061 0.296 15.807 1251 HG2 GLN 143 HG3 GLN 143 -0.462 0.821 12.937 1252 HG3 GLN 143 HG2 GLN 143 -1.921 -0.058 13.383 1253 HE21 GLN 143 HE21 GLN 143 -0.572 2.423 15.416 1254 HE22 GLN 143 HE22 GLN 143 -1.800 3.599 15.130 1255 H21 OLA1001 H21 OLA1001 -0.718 5.830 -1.459 1256 H22 OLA1001 H22 OLA1001 1.029 5.963 -1.647 1257 H31 OLA1001 H31 OLA1001 -0.146 8.125 -1.825 1258 H32 OLA1001 H32 OLA1001 1.043 8.082 -0.523 1259 H41 OLA1001 H41 OLA1001 -0.672 7.798 1.122 1260 H42 OLA1001 H42 OLA1001 -1.904 7.610 -0.130 1261 H51 OLA1001 H51 OLA1001 -1.570 9.888 -0.852 1262 H52 OLA1001 H52 OLA1001 -0.248 10.093 0.295 1263 H61 OLA1001 H61 OLA1001 -2.384 11.105 1.045 1264 H62 OLA1001 H62 OLA1001 -1.744 9.894 2.156 1265 H71 OLA1001 H71 OLA1001 -4.168 9.679 1.855 1266 H72 OLA1001 H72 OLA1001 -3.299 8.245 1.312 1267 H81 OLA1001 H81 OLA1001 -5.017 8.748 -0.272 1268 H82 OLA1001 H82 OLA1001 -3.448 9.060 -1.002 1269 H9 OLA1001 H9 OLA1001 -4.143 11.585 -0.137 1270 H10 OLA1001 H10 OLA1001 -5.756 12.028 -1.827 1271 H111 OLA1001 H111 OLA1001 -6.900 9.485 -1.759 1272 H112 OLA1001 H112 OLA1001 -5.445 9.220 -2.695 1273 H121 OLA1001 H121 OLA1001 -7.584 11.228 -3.353 1274 H122 OLA1001 H122 OLA1001 -7.417 9.635 -4.091 1275 H131 OLA1001 H131 OLA1001 -5.054 11.429 -4.138 1276 H132 OLA1001 H132 OLA1001 -6.408 11.823 -5.198 1277 H141 OLA1001 H141 OLA1001 -5.014 10.500 -6.521 1278 H142 OLA1001 H142 OLA1001 -6.289 9.411 -5.996 1279 H151 OLA1001 H151 OLA1001 -4.166 8.289 -5.868 1280 H152 OLA1001 H152 OLA1001 -4.795 8.533 -4.243 1281 H161 OLA1001 H161 OLA1001 -3.283 10.333 -3.829 1282 H162 OLA1001 H162 OLA1001 -2.819 10.399 -5.533 1283 H171 OLA1001 H171 OLA1001 -1.802 8.187 -5.342 1284 H172 OLA1001 H172 OLA1001 -2.269 8.126 -3.642 1285 H181 OLA1001 H181 OLA1001 -0.879 10.136 -3.244 1286 H182 OLA1001 H182 OLA1001 -0.308 10.019 -4.921 1287 H183 OLA1001 H183 OLA1001 0.037 8.715 -3.771 Start of MODEL 8 1 H1 MET -11 H1 MET -11 5.700 -40.123 -11.519 2 H2 MET -11 H2 MET -11 5.333 -38.986 -12.711 3 H3 MET -11 H3 MET -11 5.741 -40.567 -13.150 4 HA MET -11 HA MET -11 3.385 -40.213 -13.356 5 HB2 MET -11 HB3 MET -11 4.229 -42.444 -12.744 6 HB3 MET -11 HB2 MET -11 4.108 -42.021 -11.042 7 HG2 MET -11 HG3 MET -11 2.238 -43.409 -11.791 8 HG3 MET -11 HG2 MET -11 1.710 -41.827 -11.217 9 HE1 MET -11 HE1 MET -11 -0.878 -42.579 -14.047 10 HE2 MET -11 HE2 MET -11 -0.655 -42.127 -12.356 11 HE3 MET -11 HE3 MET -11 -0.173 -43.731 -12.912 12 H ARG -10 H ARG -10 4.643 -39.425 -10.153 13 HA ARG -10 HA ARG -10 1.996 -38.763 -9.178 14 HB2 ARG -10 HB3 ARG -10 3.686 -39.881 -7.734 15 HB3 ARG -10 HB2 ARG -10 4.673 -38.429 -7.814 16 HG2 ARG -10 HG3 ARG -10 3.369 -38.610 -5.729 17 HG3 ARG -10 HG2 ARG -10 2.993 -37.157 -6.654 18 HD2 ARG -10 HD3 ARG -10 1.002 -38.330 -5.703 19 HD3 ARG -10 HD2 ARG -10 0.952 -38.101 -7.449 20 HE ARG -10 HE ARG -10 1.941 -40.662 -6.445 21 HH11 ARG -10 HH11 ARG -10 -0.702 -38.819 -7.826 22 HH12 ARG -10 HH12 ARG -10 -1.515 -40.218 -8.456 23 HH21 ARG -10 HH21 ARG -10 0.856 -42.511 -7.258 24 HH22 ARG -10 HH22 ARG -10 -0.630 -42.316 -8.136 25 H GLY -9 H GLY -9 1.530 -37.091 -10.672 26 HA2 GLY -9 HA3 GLY -9 2.813 -34.523 -9.956 27 HA3 GLY -9 HA2 GLY -9 2.159 -34.866 -11.553 28 H SER -8 H SER -8 0.958 -35.317 -8.245 29 HA SER -8 HA SER -8 -1.699 -34.613 -9.173 30 HB2 SER -8 HB3 SER -8 -0.832 -35.571 -6.440 31 HB3 SER -8 HB2 SER -8 -2.471 -35.566 -7.095 32 HG SER -8 HG SER -8 -1.039 -36.877 -8.837 33 H HIS -7 H HIS -7 0.889 -33.154 -7.431 34 HA HIS -7 HA HIS -7 -0.891 -30.909 -6.777 35 HB2 HIS -7 HB3 HIS -7 1.229 -32.088 -4.976 36 HB3 HIS -7 HB2 HIS -7 0.463 -30.528 -4.698 37 HD1 HIS -7 HD1 HIS -7 0.201 -33.925 -3.703 38 HD2 HIS -7 HD2 HIS -7 -2.546 -30.924 -4.563 39 HE1 HIS -7 HE1 HIS -7 -1.948 -34.646 -2.620 40 HE2 HIS -7 HE2 HIS -7 -3.632 -32.889 -3.276 41 H HIS -6 H HIS -6 -0.106 -30.002 -8.747 42 HA HIS -6 HA HIS -6 2.666 -29.212 -8.901 43 HB2 HIS -6 HB3 HIS -6 0.243 -28.504 -10.558 44 HB3 HIS -6 HB2 HIS -6 1.826 -27.793 -10.838 45 HD1 HIS -6 HD1 HIS -6 -0.102 -30.066 -12.451 46 HD2 HIS -6 HD2 HIS -6 3.712 -30.389 -10.830 47 HE1 HIS -6 HE1 HIS -6 0.996 -31.961 -13.680 48 HE2 HIS -6 HE2 HIS -6 3.353 -32.032 -12.793 49 H HIS -5 H HIS -5 3.441 -27.649 -7.654 50 HA HIS -5 HA HIS -5 1.589 -25.693 -6.520 51 HB2 HIS -5 HB3 HIS -5 4.455 -26.293 -5.786 52 HB3 HIS -5 HB2 HIS -5 3.390 -25.172 -4.949 53 HD1 HIS -5 HD1 HIS -5 4.485 -28.616 -4.903 54 HD2 HIS -5 HD2 HIS -5 1.061 -26.560 -3.759 55 HE1 HIS -5 HE1 HIS -5 3.254 -30.164 -3.358 56 HE2 HIS -5 HE2 HIS -5 1.119 -28.950 -2.784 57 H HIS -4 H HIS -4 1.588 -24.837 -8.850 58 HA HIS -4 HA HIS -4 3.657 -22.742 -9.023 59 HB2 HIS -4 HB3 HIS -4 2.177 -24.192 -11.210 60 HB3 HIS -4 HB2 HIS -4 2.933 -22.628 -11.492 61 HD1 HIS -4 HD1 HIS -4 5.378 -22.626 -12.004 62 HD2 HIS -4 HD2 HIS -4 4.072 -26.269 -10.486 63 HE1 HIS -4 HE1 HIS -4 7.329 -24.192 -12.229 64 HE2 HIS -4 HE2 HIS -4 6.465 -26.428 -11.460 65 H HIS -3 H HIS -3 0.286 -23.421 -9.931 66 HA HIS -3 HA HIS -3 -0.401 -20.742 -8.949 67 HB2 HIS -3 HB3 HIS -3 -1.316 -22.037 -11.516 68 HB3 HIS -3 HB2 HIS -3 -2.141 -20.662 -10.791 69 HD1 HIS -3 HD1 HIS -3 0.602 -21.512 -13.029 70 HD2 HIS -3 HD2 HIS -3 -0.425 -18.305 -10.594 71 HE1 HIS -3 HE1 HIS -3 2.034 -19.589 -13.797 72 HE2 HIS -3 HE2 HIS -3 1.515 -17.718 -12.197 73 H HIS -2 H HIS -2 -0.765 -23.942 -8.513 74 HA HIS -2 HA HIS -2 -3.583 -23.869 -7.763 75 HB2 HIS -2 HB3 HIS -2 -1.524 -26.082 -7.680 76 HB3 HIS -2 HB2 HIS -2 -3.159 -26.258 -7.054 77 HD1 HIS -2 HD1 HIS -2 -2.600 -28.205 -9.133 78 HD2 HIS -2 HD2 HIS -2 -3.793 -24.345 -10.111 79 HE1 HIS -2 HE1 HIS -2 -3.520 -28.353 -11.464 80 HE2 HIS -2 HE2 HIS -2 -4.071 -25.978 -12.097 81 H GLY -1 H GLY -1 -2.981 -22.095 -6.247 82 HA2 GLY -1 HA3 GLY -1 -3.291 -22.235 -3.728 83 HA3 GLY -1 HA2 GLY -1 -1.762 -23.105 -3.761 84 H SER 0 H SER 0 -2.383 -20.605 -2.415 85 HA SER 0 HA SER 0 -0.970 -18.600 -3.990 86 HB2 SER 0 HB3 SER 0 -2.199 -18.325 -1.238 87 HB3 SER 0 HB2 SER 0 -1.714 -17.023 -2.325 88 HG SER 0 HG SER 0 -4.024 -18.463 -2.248 89 H LYS 1 H LYS 1 1.017 -17.785 -3.469 90 HA LYS 1 HA LYS 1 2.768 -19.042 -1.649 91 HB2 LYS 1 HB3 LYS 1 2.816 -16.205 -2.726 92 HB3 LYS 1 HB2 LYS 1 4.158 -17.009 -1.924 93 HG2 LYS 1 HG3 LYS 1 4.416 -18.543 -3.726 94 HG3 LYS 1 HG2 LYS 1 2.913 -18.000 -4.473 95 HD2 LYS 1 HD3 LYS 1 4.879 -17.073 -5.609 96 HD3 LYS 1 HD2 LYS 1 3.883 -15.809 -4.889 97 HE2 LYS 1 HE3 LYS 1 6.203 -15.317 -4.477 98 HE3 LYS 1 HE2 LYS 1 5.429 -15.751 -2.956 99 HZ1 LYS 1 HZ1 LYS 1 7.137 -17.521 -4.616 100 HZ2 LYS 1 HZ2 LYS 1 6.361 -17.986 -3.190 101 HZ3 LYS 1 HZ3 LYS 1 7.571 -16.805 -3.146 102 H THR 2 H THR 2 2.752 -18.917 0.540 103 HA THR 2 HA THR 2 0.675 -17.461 1.812 104 HB THR 2 HB THR 2 3.033 -18.704 3.203 105 HG1 THR 2 HG1 THR 2 0.646 -19.930 2.212 106 HG21 THR 2 HG21 THR 2 1.551 -17.407 4.625 107 HG22 THR 2 HG22 THR 2 1.351 -19.128 4.963 108 HG23 THR 2 HG23 THR 2 0.152 -18.273 3.989 109 H LEU 3 H LEU 3 0.685 -15.553 2.777 110 HA LEU 3 HA LEU 3 2.699 -13.685 2.121 111 HB2 LEU 3 HB3 LEU 3 0.067 -13.596 3.193 112 HB3 LEU 3 HB2 LEU 3 1.112 -12.674 4.251 113 HG LEU 3 HG LEU 3 0.372 -12.143 1.401 114 HD11 LEU 3 HD11 LEU 3 -0.029 -9.926 2.258 115 HD12 LEU 3 HD12 LEU 3 0.646 -10.380 3.821 116 HD13 LEU 3 HD13 LEU 3 -0.861 -11.113 3.263 117 HD21 LEU 3 HD21 LEU 3 2.861 -11.175 2.787 118 HD22 LEU 3 HD22 LEU 3 2.153 -10.388 1.376 119 HD23 LEU 3 HD23 LEU 3 2.750 -12.040 1.253 120 HA PRO 4 HA PRO 4 5.501 -14.410 5.566 121 HB2 PRO 4 HB3 PRO 4 6.481 -11.786 4.574 122 HB3 PRO 4 HB2 PRO 4 7.380 -13.276 4.887 123 HG2 PRO 4 HG3 PRO 4 6.846 -12.465 2.391 124 HG3 PRO 4 HG2 PRO 4 6.852 -14.184 2.830 125 HD2 PRO 4 HD3 PRO 4 4.539 -12.360 2.337 126 HD3 PRO 4 HD2 PRO 4 4.716 -14.090 1.975 127 H ASP 5 H ASP 5 4.811 -13.946 7.535 128 HA ASP 5 HA ASP 5 2.966 -12.035 8.274 129 HB2 ASP 5 HB3 ASP 5 3.586 -13.986 9.650 130 HB3 ASP 5 HB2 ASP 5 5.128 -13.229 10.016 131 H LYS 6 H LYS 6 6.350 -11.673 7.784 132 HA LYS 6 HA LYS 6 6.948 -9.402 9.225 133 HB2 LYS 6 HB3 LYS 6 7.966 -9.853 6.430 134 HB3 LYS 6 HB2 LYS 6 8.798 -9.109 7.786 135 HG2 LYS 6 HG3 LYS 6 8.091 -12.025 7.527 136 HG3 LYS 6 HG2 LYS 6 9.690 -11.317 7.309 137 HD2 LYS 6 HD3 LYS 6 8.285 -10.828 9.885 138 HD3 LYS 6 HD2 LYS 6 8.935 -12.439 9.595 139 HE2 LYS 6 HE3 LYS 6 10.576 -11.149 10.774 140 HE3 LYS 6 HE2 LYS 6 11.142 -11.415 9.129 141 HZ1 LYS 6 HZ1 LYS 6 10.489 -9.184 8.556 142 HZ2 LYS 6 HZ2 LYS 6 11.516 -9.143 9.896 143 HZ3 LYS 6 HZ3 LYS 6 9.853 -8.926 10.103 144 H PHE 7 H PHE 7 4.901 -9.661 6.377 145 HA PHE 7 HA PHE 7 5.014 -6.764 5.979 146 HB2 PHE 7 HB3 PHE 7 3.531 -8.910 4.445 147 HB3 PHE 7 HB2 PHE 7 3.545 -7.201 4.032 148 HD1 PHE 7 HD1 PHE 7 6.292 -6.422 4.288 149 HD2 PHE 7 HD2 PHE 7 4.658 -10.065 2.817 150 HE1 PHE 7 HE1 PHE 7 8.304 -6.769 2.923 151 HE2 PHE 7 HE2 PHE 7 6.670 -10.416 1.449 152 HZ PHE 7 HZ PHE 7 8.473 -8.782 1.480 153 H LEU 8 H LEU 8 3.423 -8.772 8.023 154 HA LEU 8 HA LEU 8 0.758 -7.695 7.524 155 HB2 LEU 8 HB3 LEU 8 1.644 -9.936 9.336 156 HB3 LEU 8 HB2 LEU 8 -0.018 -9.460 9.037 157 HG LEU 8 HG LEU 8 1.881 -10.568 6.965 158 HD11 LEU 8 HD11 LEU 8 1.125 -12.205 8.658 159 HD12 LEU 8 HD12 LEU 8 0.559 -12.557 7.025 160 HD13 LEU 8 HD13 LEU 8 -0.541 -11.845 8.208 161 HD21 LEU 8 HD21 LEU 8 -1.002 -9.723 6.815 162 HD22 LEU 8 HD22 LEU 8 -0.211 -10.732 5.606 163 HD23 LEU 8 HD23 LEU 8 0.362 -9.089 5.893 164 H GLY 9 H GLY 9 -0.515 -6.910 9.246 165 HA2 GLY 9 HA3 GLY 9 -0.518 -6.378 11.696 166 HA3 GLY 9 HA2 GLY 9 1.081 -5.704 11.421 167 H THR 10 H THR 10 -0.549 -4.036 12.571 168 HA THR 10 HA THR 10 -1.683 -2.301 10.498 169 HB THR 10 HB THR 10 -1.805 -1.728 13.443 170 HG1 THR 10 HG1 THR 10 -2.715 -3.969 12.317 171 HG21 THR 10 HG21 THR 10 -2.631 -0.106 11.737 172 HG22 THR 10 HG22 THR 10 -3.871 -0.653 12.864 173 HG23 THR 10 HG23 THR 10 -3.809 -1.316 11.234 174 H PHE 11 H PHE 11 -0.534 -0.557 9.835 175 HA PHE 11 HA PHE 11 1.854 0.143 11.419 176 HB2 PHE 11 HB3 PHE 11 1.479 0.305 8.425 177 HB3 PHE 11 HB2 PHE 11 2.955 0.673 9.304 178 HD1 PHE 11 HD1 PHE 11 4.064 -1.215 10.605 179 HD2 PHE 11 HD2 PHE 11 1.038 -1.858 7.685 180 HE1 PHE 11 HE1 PHE 11 4.780 -3.556 10.383 181 HE2 PHE 11 HE2 PHE 11 1.748 -4.201 7.459 182 HZ PHE 11 HZ PHE 11 3.620 -5.054 8.811 183 H LYS 12 H LYS 12 1.932 2.203 12.262 184 HA LYS 12 HA LYS 12 0.305 4.345 11.311 185 HB2 LYS 12 HB3 LYS 12 2.768 4.209 13.042 186 HB3 LYS 12 HB2 LYS 12 2.070 5.744 12.568 187 HG2 LYS 12 HG3 LYS 12 -0.013 5.155 13.661 188 HG3 LYS 12 HG2 LYS 12 0.666 3.599 14.128 189 HD2 LYS 12 HD3 LYS 12 1.694 6.308 14.972 190 HD3 LYS 12 HD2 LYS 12 0.743 5.211 15.972 191 HE2 LYS 12 HE3 LYS 12 2.526 3.557 15.880 192 HE3 LYS 12 HE2 LYS 12 3.466 4.610 14.827 193 HZ1 LYS 12 HZ1 LYS 12 3.563 6.237 16.614 194 HZ2 LYS 12 HZ2 LYS 12 4.223 4.763 17.102 195 HZ3 LYS 12 HZ3 LYS 12 2.679 5.208 17.626 196 H LEU 13 H LEU 13 1.839 6.489 10.901 197 HA LEU 13 HA LEU 13 3.518 5.850 8.576 198 HB2 LEU 13 HB3 LEU 13 1.138 6.616 7.972 199 HB3 LEU 13 HB2 LEU 13 1.583 8.174 8.633 200 HG LEU 13 HG LEU 13 2.999 6.852 6.311 201 HD11 LEU 13 HD11 LEU 13 0.923 9.030 6.330 202 HD12 LEU 13 HD12 LEU 13 0.700 7.385 5.741 203 HD13 LEU 13 HD13 LEU 13 1.821 8.470 4.921 204 HD21 LEU 13 HD21 LEU 13 3.126 9.676 7.362 205 HD22 LEU 13 HD22 LEU 13 3.946 9.066 5.925 206 HD23 LEU 13 HD23 LEU 13 4.393 8.459 7.519 207 H GLU 14 H GLU 14 5.501 6.610 9.057 208 HA GLU 14 HA GLU 14 5.716 8.690 11.068 209 HB2 GLU 14 HB3 GLU 14 7.067 6.556 11.127 210 HB3 GLU 14 HB2 GLU 14 7.961 7.177 9.746 211 HG2 GLU 14 HG3 GLU 14 9.115 7.558 11.878 212 HG3 GLU 14 HG2 GLU 14 8.734 9.059 11.033 213 H ARG 15 H ARG 15 6.813 8.105 7.718 214 HA ARG 15 HA ARG 15 6.724 10.889 7.101 215 HB2 ARG 15 HB3 ARG 15 9.097 11.276 6.779 216 HB3 ARG 15 HB2 ARG 15 8.796 10.815 8.449 217 HG2 ARG 15 HG3 ARG 15 9.555 8.560 7.987 218 HG3 ARG 15 HG2 ARG 15 9.806 8.980 6.289 219 HD2 ARG 15 HD3 ARG 15 11.224 10.180 8.659 220 HD3 ARG 15 HD2 ARG 15 11.902 9.025 7.512 221 HE ARG 15 HE ARG 15 10.912 11.471 6.329 222 HH11 ARG 15 HH11 ARG 15 13.676 9.843 7.719 223 HH12 ARG 15 HH12 ARG 15 14.834 10.870 6.938 224 HH21 ARG 15 HH21 ARG 15 12.429 12.832 5.308 225 HH22 ARG 15 HH22 ARG 15 14.123 12.577 5.571 226 H ASP 16 H ASP 16 8.482 11.021 5.002 227 HA ASP 16 HA ASP 16 7.947 8.743 3.261 228 HB2 ASP 16 HB3 ASP 16 6.890 10.055 1.551 229 HB3 ASP 16 HB2 ASP 16 6.020 10.349 3.053 230 H GLU 17 H GLU 17 8.811 9.585 0.923 231 HA GLU 17 HA GLU 17 11.160 11.250 1.123 232 HB2 GLU 17 HB3 GLU 17 12.120 9.161 1.845 233 HB3 GLU 17 HB2 GLU 17 11.357 8.294 0.521 234 HG2 GLU 17 HG3 GLU 17 12.748 9.552 -1.072 235 HG3 GLU 17 HG2 GLU 17 13.538 10.357 0.284 236 H ASN 18 H ASN 18 10.635 12.575 -0.535 237 HA ASN 18 HA ASN 18 10.506 13.289 -2.703 238 HB2 ASN 18 HB3 ASN 18 12.210 11.350 -2.964 239 HB3 ASN 18 HB2 ASN 18 10.866 10.451 -3.651 240 HD21 ASN 18 HD21 ASN 18 10.105 10.993 -5.670 241 HD22 ASN 18 HD22 ASN 18 10.951 12.076 -6.724 242 H PHE 19 H PHE 19 8.225 12.427 -1.200 243 HA PHE 19 HA PHE 19 6.513 10.795 -2.796 244 HB2 PHE 19 HB3 PHE 19 6.370 10.972 -0.308 245 HB3 PHE 19 HB2 PHE 19 5.719 12.594 -0.504 246 HD1 PHE 19 HD1 PHE 19 5.079 9.203 -1.919 247 HD2 PHE 19 HD2 PHE 19 3.457 12.767 -0.262 248 HE1 PHE 19 HE1 PHE 19 2.817 8.260 -2.125 249 HE2 PHE 19 HE2 PHE 19 1.194 11.831 -0.460 250 HZ PHE 19 HZ PHE 19 0.871 9.572 -1.399 251 H ASP 20 H ASP 20 6.681 14.299 -2.199 252 HA ASP 20 HA ASP 20 4.409 15.019 -3.649 253 HB2 ASP 20 HB3 ASP 20 5.292 17.258 -3.703 254 HB3 ASP 20 HB2 ASP 20 5.711 16.543 -2.152 255 H GLU 21 H GLU 21 7.762 14.669 -4.752 256 HA GLU 21 HA GLU 21 7.319 15.446 -7.407 257 HB2 GLU 21 HB3 GLU 21 9.401 13.589 -6.258 258 HB3 GLU 21 HB2 GLU 21 9.422 14.200 -7.909 259 HG2 GLU 21 HG3 GLU 21 9.485 16.494 -7.023 260 HG3 GLU 21 HG2 GLU 21 9.565 15.827 -5.398 261 H TYR 22 H TYR 22 7.018 12.282 -5.851 262 HA TYR 22 HA TYR 22 6.438 10.791 -8.161 263 HB2 TYR 22 HB3 TYR 22 6.828 9.598 -6.141 264 HB3 TYR 22 HB2 TYR 22 5.576 10.489 -5.287 265 HD1 TYR 22 HD1 TYR 22 3.358 9.681 -5.223 266 HD2 TYR 22 HD2 TYR 22 6.130 7.985 -7.967 267 HE1 TYR 22 HE1 TYR 22 1.740 7.909 -5.759 268 HE2 TYR 22 HE2 TYR 22 4.522 6.209 -8.508 269 HH TYR 22 HH TYR 22 2.584 5.128 -7.636 270 H LEU 23 H LEU 23 4.433 12.869 -6.147 271 HA LEU 23 HA LEU 23 1.935 12.105 -7.244 272 HB2 LEU 23 HB3 LEU 23 2.763 14.697 -5.932 273 HB3 LEU 23 HB2 LEU 23 1.108 14.225 -6.270 274 HG LEU 23 HG LEU 23 3.001 12.840 -4.372 275 HD11 LEU 23 HD11 LEU 23 0.479 14.399 -3.844 276 HD12 LEU 23 HD12 LEU 23 2.118 14.984 -3.559 277 HD13 LEU 23 HD13 LEU 23 1.498 13.612 -2.640 278 HD21 LEU 23 HD21 LEU 23 1.074 11.448 -3.789 279 HD22 LEU 23 HD22 LEU 23 1.549 11.234 -5.473 280 HD23 LEU 23 HD23 LEU 23 0.137 12.213 -5.074 281 H LYS 24 H LYS 24 4.304 14.571 -8.082 282 HA LYS 24 HA LYS 24 2.817 15.892 -10.078 283 HB2 LYS 24 HB3 LYS 24 5.789 15.530 -9.689 284 HB3 LYS 24 HB2 LYS 24 5.107 16.521 -10.968 285 HG2 LYS 24 HG3 LYS 24 4.052 17.958 -9.314 286 HG3 LYS 24 HG2 LYS 24 4.694 16.948 -8.018 287 HD2 LYS 24 HD3 LYS 24 6.029 18.989 -8.373 288 HD3 LYS 24 HD2 LYS 24 6.962 17.517 -8.649 289 HE2 LYS 24 HE3 LYS 24 7.397 19.251 -10.346 290 HE3 LYS 24 HE2 LYS 24 6.736 17.775 -11.041 291 HZ1 LYS 24 HZ1 LYS 24 4.589 18.814 -11.198 292 HZ2 LYS 24 HZ2 LYS 24 5.727 19.807 -11.950 293 HZ3 LYS 24 HZ3 LYS 24 5.145 20.204 -10.415 294 H ALA 25 H ALA 25 5.137 13.245 -10.213 295 HA ALA 25 HA ALA 25 5.113 12.771 -12.957 296 HB1 ALA 25 HB1 ALA 25 6.731 11.768 -11.424 297 HB2 ALA 25 HB2 ALA 25 5.949 10.543 -12.423 298 HB3 ALA 25 HB3 ALA 25 5.460 10.754 -10.741 299 H ARG 26 H ARG 26 3.020 11.466 -10.424 300 HA ARG 26 HA ARG 26 1.597 9.666 -12.098 301 HB2 ARG 26 HB3 ARG 26 0.961 10.851 -9.406 302 HB3 ARG 26 HB2 ARG 26 -0.094 9.694 -10.205 303 HG2 ARG 26 HG3 ARG 26 2.795 9.155 -9.581 304 HG3 ARG 26 HG2 ARG 26 1.462 8.728 -8.509 305 HD2 ARG 26 HD3 ARG 26 1.710 7.791 -11.363 306 HD3 ARG 26 HD2 ARG 26 2.254 6.864 -9.966 307 HE ARG 26 HE ARG 26 -0.158 7.000 -9.214 308 HH11 ARG 26 HH11 ARG 26 0.762 7.042 -12.599 309 HH12 ARG 26 HH12 ARG 26 -0.730 6.361 -13.142 310 HH21 ARG 26 HH21 ARG 26 -2.114 6.116 -9.921 311 HH22 ARG 26 HH22 ARG 26 -2.376 5.823 -11.612 312 H GLY 27 H GLY 27 1.482 13.021 -11.924 313 HA2 GLY 27 HA3 GLY 27 0.250 14.211 -13.586 314 HA3 GLY 27 HA2 GLY 27 -0.987 12.967 -13.512 315 H TYR 28 H TYR 28 -0.026 13.728 -10.399 316 HA TYR 28 HA TYR 28 -2.503 15.119 -9.918 317 HB2 TYR 28 HB3 TYR 28 -0.242 14.351 -8.060 318 HB3 TYR 28 HB2 TYR 28 -1.748 15.091 -7.538 319 HD1 TYR 28 HD1 TYR 28 -0.062 12.052 -7.988 320 HD2 TYR 28 HD2 TYR 28 -3.929 13.794 -8.297 321 HE1 TYR 28 HE1 TYR 28 -1.074 9.822 -7.783 322 HE2 TYR 28 HE2 TYR 28 -4.954 11.569 -8.093 323 HH TYR 28 HH TYR 28 -3.169 8.798 -7.158 324 H GLY 29 H GLY 29 -2.738 17.234 -10.023 325 HA2 GLY 29 HA3 GLY 29 -0.465 18.975 -10.322 326 HA3 GLY 29 HA2 GLY 29 -2.157 19.450 -10.341 327 H TRP 30 H TRP 30 -1.124 21.256 -9.088 328 HA TRP 30 HA TRP 30 0.031 21.043 -6.602 329 HB2 TRP 30 HB3 TRP 30 -0.010 23.183 -7.594 330 HB3 TRP 30 HB2 TRP 30 -1.756 23.149 -7.805 331 HD1 TRP 30 HD1 TRP 30 0.909 23.716 -5.098 332 HE1 TRP 30 HE1 TRP 30 -0.187 24.965 -3.131 333 HE3 TRP 30 HE3 TRP 30 -3.951 23.635 -6.681 334 HZ2 TRP 30 HZ2 TRP 30 -2.775 25.785 -2.363 335 HZ3 TRP 30 HZ3 TRP 30 -5.671 24.677 -5.272 336 HH2 TRP 30 HH2 TRP 30 -5.090 25.733 -3.153 337 H ILE 31 H ILE 31 -3.424 21.100 -7.375 338 HA ILE 31 HA ILE 31 -4.480 21.432 -4.827 339 HB ILE 31 HB ILE 31 -5.619 19.778 -7.082 340 HG12 ILE 31 HG13 ILE 31 -7.156 21.827 -7.251 341 HG13 ILE 31 HG12 ILE 31 -5.934 22.660 -6.295 342 HG21 ILE 31 HG21 ILE 31 -6.681 19.026 -5.132 343 HG22 ILE 31 HG22 ILE 31 -7.800 20.170 -5.881 344 HG23 ILE 31 HG23 ILE 31 -6.831 20.664 -4.490 345 HD11 ILE 31 HD11 ILE 31 -4.288 22.293 -7.961 346 HD12 ILE 31 HD12 ILE 31 -5.717 22.961 -8.748 347 HD13 ILE 31 HD13 ILE 31 -5.365 21.234 -8.862 348 H MET 32 H MET 32 -4.035 18.414 -6.609 349 HA MET 32 HA MET 32 -4.810 16.846 -4.460 350 HB2 MET 32 HB3 MET 32 -3.306 16.164 -6.969 351 HB3 MET 32 HB2 MET 32 -3.825 14.953 -5.803 352 HG2 MET 32 HG3 MET 32 -5.533 16.769 -7.460 353 HG3 MET 32 HG2 MET 32 -5.452 15.020 -7.516 354 HE1 MET 32 HE1 MET 32 -6.127 13.510 -5.322 355 HE2 MET 32 HE2 MET 32 -6.903 14.209 -3.897 356 HE3 MET 32 HE3 MET 32 -5.227 14.612 -4.278 357 H ARG 33 H ARG 33 -1.675 17.964 -5.553 358 HA ARG 33 HA ARG 33 -0.080 16.316 -3.939 359 HB2 ARG 33 HB3 ARG 33 0.422 19.090 -5.008 360 HB3 ARG 33 HB2 ARG 33 1.640 18.136 -4.166 361 HG2 ARG 33 HG3 ARG 33 1.367 16.371 -5.887 362 HG3 ARG 33 HG2 ARG 33 0.279 17.450 -6.760 363 HD2 ARG 33 HD3 ARG 33 3.150 18.044 -6.065 364 HD3 ARG 33 HD2 ARG 33 2.569 17.508 -7.639 365 HE ARG 33 HE ARG 33 1.195 19.632 -7.584 366 HH11 ARG 33 HH11 ARG 33 4.276 19.349 -5.946 367 HH12 ARG 33 HH12 ARG 33 4.674 21.025 -6.130 368 HH21 ARG 33 HH21 ARG 33 1.726 21.846 -7.837 369 HH22 ARG 33 HH22 ARG 33 3.226 22.442 -7.200 370 H GLN 34 H GLN 34 -1.952 19.154 -3.171 371 HA GLN 34 HA GLN 34 -0.728 19.594 -0.623 372 HB2 GLN 34 HB3 GLN 34 -3.495 20.372 -1.564 373 HB3 GLN 34 HB2 GLN 34 -2.684 20.988 -0.133 374 HG2 GLN 34 HG3 GLN 34 -1.945 21.463 -3.004 375 HG3 GLN 34 HG2 GLN 34 -2.552 22.636 -1.838 376 HE21 GLN 34 HE21 GLN 34 0.183 20.894 -2.984 377 HE22 GLN 34 HE22 GLN 34 1.375 21.721 -2.043 378 H VAL 35 H VAL 35 -3.615 17.885 -1.764 379 HA VAL 35 HA VAL 35 -4.619 17.250 0.811 380 HB VAL 35 HB VAL 35 -5.201 16.034 -1.896 381 HG11 VAL 35 HG11 VAL 35 -6.808 15.839 0.648 382 HG12 VAL 35 HG12 VAL 35 -5.853 14.539 -0.066 383 HG13 VAL 35 HG13 VAL 35 -7.252 15.180 -0.928 384 HG21 VAL 35 HG21 VAL 35 -5.692 18.413 -1.809 385 HG22 VAL 35 HG22 VAL 35 -6.645 18.178 -0.342 386 HG23 VAL 35 HG23 VAL 35 -7.185 17.475 -1.867 387 H ILE 36 H ILE 36 -3.267 15.153 -1.717 388 HA ILE 36 HA ILE 36 -3.094 12.764 -0.438 389 HB ILE 36 HB ILE 36 -0.998 13.821 -2.317 390 HG12 ILE 36 HG13 ILE 36 -3.625 12.451 -2.952 391 HG13 ILE 36 HG12 ILE 36 -3.378 14.187 -3.079 392 HG21 ILE 36 HG21 ILE 36 -0.512 11.676 -1.219 393 HG22 ILE 36 HG22 ILE 36 -0.793 11.488 -2.947 394 HG23 ILE 36 HG23 ILE 36 -2.056 11.054 -1.794 395 HD11 ILE 36 HD11 ILE 36 -1.656 13.798 -4.776 396 HD12 ILE 36 HD12 ILE 36 -3.228 13.149 -5.243 397 HD13 ILE 36 HD13 ILE 36 -1.960 12.064 -4.663 398 H LYS 37 H LYS 37 -0.789 15.447 -0.042 399 HA LYS 37 HA LYS 37 1.073 13.809 1.410 400 HB2 LYS 37 HB3 LYS 37 0.924 16.799 1.053 401 HB3 LYS 37 HB2 LYS 37 2.210 15.980 1.925 402 HG2 LYS 37 HG3 LYS 37 2.614 14.670 -0.218 403 HG3 LYS 37 HG2 LYS 37 1.573 15.856 -1.002 404 HD2 LYS 37 HD3 LYS 37 4.125 16.430 0.503 405 HD3 LYS 37 HD2 LYS 37 3.907 16.486 -1.244 406 HE2 LYS 37 HE3 LYS 37 2.395 18.340 -1.056 407 HE3 LYS 37 HE2 LYS 37 2.393 18.216 0.702 408 HZ1 LYS 37 HZ1 LYS 37 4.731 18.930 -0.983 409 HZ2 LYS 37 HZ2 LYS 37 4.744 18.794 0.702 410 HZ3 LYS 37 HZ3 LYS 37 3.823 20.002 -0.043 411 H LEU 38 H LEU 38 -1.750 15.588 2.252 412 HA LEU 38 HA LEU 38 -1.000 15.833 5.053 413 HB2 LEU 38 HB3 LEU 38 -3.604 16.448 3.657 414 HB3 LEU 38 HB2 LEU 38 -3.201 16.873 5.310 415 HG LEU 38 HG LEU 38 -1.665 17.898 2.931 416 HD11 LEU 38 HD11 LEU 38 -2.935 19.958 3.163 417 HD12 LEU 38 HD12 LEU 38 -3.921 19.221 4.424 418 HD13 LEU 38 HD13 LEU 38 -3.990 18.602 2.773 419 HD21 LEU 38 HD21 LEU 38 -0.907 19.598 4.530 420 HD22 LEU 38 HD22 LEU 38 -0.455 17.971 5.036 421 HD23 LEU 38 HD23 LEU 38 -1.811 18.789 5.810 422 H ALA 39 H ALA 39 -2.192 13.439 3.093 423 HA ALA 39 HA ALA 39 -4.142 12.323 4.886 424 HB1 ALA 39 HB1 ALA 39 -4.357 12.041 2.470 425 HB2 ALA 39 HB2 ALA 39 -4.255 10.483 3.289 426 HB3 ALA 39 HB3 ALA 39 -2.850 11.127 2.439 427 H GLY 40 H GLY 40 -3.238 11.799 6.816 428 HA2 GLY 40 HA3 GLY 40 -0.756 10.353 7.028 429 HA3 GLY 40 HA2 GLY 40 -1.855 10.757 8.341 430 H VAL 41 H VAL 41 -2.059 8.799 5.389 431 HA VAL 41 HA VAL 41 -3.898 6.979 6.266 432 HB VAL 41 HB VAL 41 -3.458 7.146 3.967 433 HG11 VAL 41 HG11 VAL 41 -0.631 6.318 4.533 434 HG12 VAL 41 HG12 VAL 41 -1.189 7.907 4.010 435 HG13 VAL 41 HG13 VAL 41 -1.336 6.522 2.931 436 HG21 VAL 41 HG21 VAL 41 -2.414 4.464 4.862 437 HG22 VAL 41 HG22 VAL 41 -3.013 4.846 3.247 438 HG23 VAL 41 HG23 VAL 41 -4.108 4.898 4.629 439 H THR 42 H THR 42 -3.907 4.940 6.995 440 HA THR 42 HA THR 42 -1.505 3.964 8.395 441 HB THR 42 HB THR 42 -4.440 3.425 8.950 442 HG1 THR 42 HG1 THR 42 -2.547 5.208 10.023 443 HG21 THR 42 HG21 THR 42 -3.051 1.506 9.541 444 HG22 THR 42 HG22 THR 42 -3.647 2.313 10.991 445 HG23 THR 42 HG23 THR 42 -1.978 2.553 10.472 446 H LYS 43 H LYS 43 -0.640 2.099 7.584 447 HA LYS 43 HA LYS 43 -2.113 0.653 5.531 448 HB2 LYS 43 HB3 LYS 43 0.695 0.339 6.602 449 HB3 LYS 43 HB2 LYS 43 0.007 -0.694 5.361 450 HG2 LYS 43 HG3 LYS 43 0.265 2.288 5.093 451 HG3 LYS 43 HG2 LYS 43 1.477 1.138 4.529 452 HD2 LYS 43 HD3 LYS 43 -0.175 0.114 3.046 453 HD3 LYS 43 HD2 LYS 43 -1.401 1.248 3.622 454 HE2 LYS 43 HE3 LYS 43 -0.083 3.114 2.775 455 HE3 LYS 43 HE2 LYS 43 1.162 1.997 2.229 456 HZ1 LYS 43 HZ1 LYS 43 -1.624 1.867 1.243 457 HZ2 LYS 43 HZ2 LYS 43 -0.245 1.147 0.573 458 HZ3 LYS 43 HZ3 LYS 43 -0.446 2.836 0.501 459 H LYS 44 H LYS 44 -2.989 -1.349 5.766 460 HA LYS 44 HA LYS 44 -2.549 -2.722 8.326 461 HB2 LYS 44 HB3 LYS 44 -5.226 -2.444 6.957 462 HB3 LYS 44 HB2 LYS 44 -4.912 -3.239 8.491 463 HG2 LYS 44 HG3 LYS 44 -4.212 -1.053 9.421 464 HG3 LYS 44 HG2 LYS 44 -4.675 -0.298 7.900 465 HD2 LYS 44 HD3 LYS 44 -6.557 0.037 9.198 466 HD3 LYS 44 HD2 LYS 44 -6.968 -1.438 8.328 467 HE2 LYS 44 HE3 LYS 44 -5.822 -1.345 11.117 468 HE3 LYS 44 HE2 LYS 44 -7.534 -1.503 10.744 469 HZ1 LYS 44 HZ1 LYS 44 -6.636 -3.646 11.208 470 HZ2 LYS 44 HZ2 LYS 44 -5.390 -3.448 10.088 471 HZ3 LYS 44 HZ3 LYS 44 -6.989 -3.582 9.556 472 H PHE 45 H PHE 45 -1.655 -4.608 7.868 473 HA PHE 45 HA PHE 45 -2.767 -6.168 5.618 474 HB2 PHE 45 HB3 PHE 45 0.042 -6.152 6.730 475 HB3 PHE 45 HB2 PHE 45 -0.556 -7.392 5.642 476 HD1 PHE 45 HD1 PHE 45 0.114 -3.763 5.926 477 HD2 PHE 45 HD2 PHE 45 -0.526 -7.077 3.333 478 HE1 PHE 45 HE1 PHE 45 0.807 -2.390 4.009 479 HE2 PHE 45 HE2 PHE 45 0.162 -5.706 1.410 480 HZ PHE 45 HZ PHE 45 0.831 -3.363 1.746 481 H ARG 46 H ARG 46 -3.322 -8.312 6.050 482 HA ARG 46 HA ARG 46 -2.623 -9.641 8.472 483 HB2 ARG 46 HB3 ARG 46 -4.837 -9.640 9.527 484 HB3 ARG 46 HB2 ARG 46 -4.191 -8.008 9.421 485 HG2 ARG 46 HG3 ARG 46 -5.576 -7.652 7.392 486 HG3 ARG 46 HG2 ARG 46 -6.290 -9.245 7.656 487 HD2 ARG 46 HD3 ARG 46 -6.401 -6.911 9.559 488 HD3 ARG 46 HD2 ARG 46 -7.719 -7.478 8.538 489 HE ARG 46 HE ARG 46 -6.624 -9.443 10.362 490 HH11 ARG 46 HH11 ARG 46 -9.066 -7.008 9.808 491 HH12 ARG 46 HH12 ARG 46 -10.139 -7.619 11.026 492 HH21 ARG 46 HH21 ARG 46 -8.023 -10.247 11.977 493 HH22 ARG 46 HH22 ARG 46 -9.545 -9.462 12.262 494 H ASN 47 H ASN 47 -3.921 -11.653 8.745 495 HA ASN 47 HA ASN 47 -4.484 -12.977 6.272 496 HB2 ASN 47 HB3 ASN 47 -5.348 -14.830 7.685 497 HB3 ASN 47 HB2 ASN 47 -3.747 -14.295 8.174 498 HD21 ASN 47 HD21 ASN 47 -3.454 -13.385 10.162 499 HD22 ASN 47 HD22 ASN 47 -4.684 -13.346 11.376 500 H ALA 48 H ALA 48 -6.633 -13.766 5.561 501 HA ALA 48 HA ALA 48 -8.371 -11.665 5.222 502 HB1 ALA 48 HB1 ALA 48 -9.914 -13.238 4.266 503 HB2 ALA 48 HB2 ALA 48 -9.116 -14.577 5.094 504 HB3 ALA 48 HB3 ALA 48 -8.269 -13.704 3.815 505 H ALA 49 H ALA 49 -10.067 -10.874 6.138 506 HA ALA 49 HA ALA 49 -10.120 -10.961 8.932 507 HB1 ALA 49 HB1 ALA 49 -10.634 -9.024 7.464 508 HB2 ALA 49 HB2 ALA 49 -11.792 -9.282 8.771 509 HB3 ALA 49 HB3 ALA 49 -12.196 -9.769 7.124 510 H SER 50 H SER 50 -12.338 -12.331 6.524 511 HA SER 50 HA SER 50 -14.275 -13.177 8.408 512 HB2 SER 50 HB3 SER 50 -15.048 -14.547 6.388 513 HB3 SER 50 HB2 SER 50 -14.987 -12.794 6.180 514 HG SER 50 HG SER 50 -13.960 -13.608 4.423 515 H GLY 51 H GLY 51 -11.294 -14.170 8.507 516 HA2 GLY 51 HA3 GLY 51 -10.270 -16.081 9.277 517 HA3 GLY 51 HA2 GLY 51 -11.869 -16.778 9.501 518 H LYS 52 H LYS 52 -11.103 -15.550 6.397 519 HA LYS 52 HA LYS 52 -11.444 -18.082 5.160 520 HB2 LYS 52 HB3 LYS 52 -12.160 -15.908 4.186 521 HB3 LYS 52 HB2 LYS 52 -10.476 -15.453 4.024 522 HG2 LYS 52 HG3 LYS 52 -11.165 -16.166 1.913 523 HG3 LYS 52 HG2 LYS 52 -10.182 -17.468 2.576 524 HD2 LYS 52 HD3 LYS 52 -12.143 -18.396 1.503 525 HD3 LYS 52 HD2 LYS 52 -12.244 -18.647 3.245 526 HE2 LYS 52 HE3 LYS 52 -14.391 -17.946 2.366 527 HE3 LYS 52 HE2 LYS 52 -13.733 -16.703 3.428 528 HZ1 LYS 52 HZ1 LYS 52 -12.991 -15.478 1.461 529 HZ2 LYS 52 HZ2 LYS 52 -14.666 -15.734 1.431 530 HZ3 LYS 52 HZ3 LYS 52 -13.657 -16.674 0.457 531 HA PRO 53 HA PRO 53 -7.125 -19.124 5.713 532 HB2 PRO 53 HB3 PRO 53 -7.211 -21.576 4.586 533 HB3 PRO 53 HB2 PRO 53 -7.867 -21.249 6.195 534 HG2 PRO 53 HG3 PRO 53 -9.293 -21.454 3.576 535 HG3 PRO 53 HG2 PRO 53 -9.746 -22.135 5.148 536 HD2 PRO 53 HD3 PRO 53 -10.844 -19.855 4.160 537 HD3 PRO 53 HD2 PRO 53 -10.617 -20.136 5.900 538 H ASP 54 H ASP 54 -5.344 -18.972 4.513 539 HA ASP 54 HA ASP 54 -3.883 -19.052 2.770 540 HB2 ASP 54 HB3 ASP 54 -5.127 -20.821 1.649 541 HB3 ASP 54 HB2 ASP 54 -6.304 -19.654 1.054 542 H ARG 55 H ARG 55 -6.927 -17.585 1.769 543 HA ARG 55 HA ARG 55 -5.815 -15.285 0.630 544 HB2 ARG 55 HB3 ARG 55 -8.549 -15.768 1.792 545 HB3 ARG 55 HB2 ARG 55 -8.109 -14.332 0.871 546 HG2 ARG 55 HG3 ARG 55 -7.521 -15.764 -1.035 547 HG3 ARG 55 HG2 ARG 55 -8.042 -17.175 -0.113 548 HD2 ARG 55 HD3 ARG 55 -10.285 -16.476 -0.125 549 HD3 ARG 55 HD2 ARG 55 -9.858 -14.843 -0.639 550 HE ARG 55 HE ARG 55 -10.029 -17.222 -2.311 551 HH11 ARG 55 HH11 ARG 55 -9.285 -13.820 -2.007 552 HH12 ARG 55 HH12 ARG 55 -9.125 -13.561 -3.719 553 HH21 ARG 55 HH21 ARG 55 -9.887 -16.870 -4.582 554 HH22 ARG 55 HH22 ARG 55 -9.497 -15.280 -5.176 555 H TYR 56 H TYR 56 -5.671 -13.154 1.302 556 HA TYR 56 HA TYR 56 -5.560 -12.777 4.217 557 HB2 TYR 56 HB3 TYR 56 -3.653 -11.873 2.065 558 HB3 TYR 56 HB2 TYR 56 -3.706 -11.092 3.644 559 HD1 TYR 56 HD1 TYR 56 -2.985 -14.237 1.877 560 HD2 TYR 56 HD2 TYR 56 -2.766 -12.160 5.581 561 HE1 TYR 56 HE1 TYR 56 -1.470 -15.961 2.747 562 HE2 TYR 56 HE2 TYR 56 -1.252 -13.882 6.461 563 HH TYR 56 HH TYR 56 0.265 -16.159 4.489 564 H ASP 57 H ASP 57 -5.274 -10.243 4.580 565 HA ASP 57 HA ASP 57 -7.308 -8.818 3.007 566 HB2 ASP 57 HB3 ASP 57 -8.325 -9.848 5.067 567 HB3 ASP 57 HB2 ASP 57 -7.226 -8.880 6.033 568 H MET 58 H MET 58 -6.907 -6.629 2.801 569 HA MET 58 HA MET 58 -4.702 -5.460 4.323 570 HB2 MET 58 HB3 MET 58 -3.740 -6.465 2.230 571 HB3 MET 58 HB2 MET 58 -4.772 -5.396 1.295 572 HG2 MET 58 HG3 MET 58 -2.812 -4.329 3.294 573 HG3 MET 58 HG2 MET 58 -2.333 -4.727 1.644 574 HE1 MET 58 HE1 MET 58 -2.194 -1.830 3.226 575 HE2 MET 58 HE2 MET 58 -2.544 -0.772 1.860 576 HE3 MET 58 HE3 MET 58 -1.454 -2.151 1.654 577 H GLU 59 H GLU 59 -4.920 -3.232 4.595 578 HA GLU 59 HA GLU 59 -7.136 -1.949 3.217 579 HB2 GLU 59 HB3 GLU 59 -8.198 -2.956 5.144 580 HB3 GLU 59 HB2 GLU 59 -6.988 -2.277 6.216 581 HG2 GLU 59 HG3 GLU 59 -7.825 -0.077 5.893 582 HG3 GLU 59 HG2 GLU 59 -8.891 -0.612 4.596 583 H ASN 60 H ASN 60 -7.142 0.276 3.214 584 HA ASN 60 HA ASN 60 -4.732 1.587 4.291 585 HB2 ASN 60 HB3 ASN 60 -6.039 2.193 1.623 586 HB3 ASN 60 HB2 ASN 60 -4.669 3.047 2.316 587 HD21 ASN 60 HD21 ASN 60 -5.735 0.261 0.623 588 HD22 ASN 60 HD22 ASN 60 -4.173 -0.414 0.315 589 H LEU 61 H LEU 61 -5.643 2.612 5.975 590 HA LEU 61 HA LEU 61 -8.145 4.065 5.590 591 HB2 LEU 61 HB3 LEU 61 -6.459 3.556 8.037 592 HB3 LEU 61 HB2 LEU 61 -7.922 4.515 8.042 593 HG LEU 61 HG LEU 61 -7.707 1.576 7.434 594 HD11 LEU 61 HD11 LEU 61 -7.526 2.135 9.798 595 HD12 LEU 61 HD12 LEU 61 -9.055 1.327 9.452 596 HD13 LEU 61 HD13 LEU 61 -9.018 3.072 9.697 597 HD21 LEU 61 HD21 LEU 61 -10.103 3.408 7.361 598 HD22 LEU 61 HD22 LEU 61 -10.175 1.647 7.292 599 HD23 LEU 61 HD23 LEU 61 -9.386 2.549 5.998 600 H THR 62 H THR 62 -8.128 6.151 5.034 601 HA THR 62 HA THR 62 -5.673 7.671 5.591 602 HB THR 62 HB THR 62 -5.643 8.697 3.488 603 HG1 THR 62 HG1 THR 62 -7.841 7.707 2.245 604 HG21 THR 62 HG21 THR 62 -4.941 6.356 3.327 605 HG22 THR 62 HG22 THR 62 -5.683 6.903 1.826 606 HG23 THR 62 HG23 THR 62 -6.596 5.885 2.939 607 H THR 63 H THR 63 -6.606 10.132 4.625 608 HA THR 63 HA THR 63 -8.532 10.736 6.736 609 HB THR 63 HB THR 63 -7.728 13.063 6.481 610 HG1 THR 63 HG1 THR 63 -6.284 13.582 4.937 611 HG21 THR 63 HG21 THR 63 -5.601 10.943 6.825 612 HG22 THR 63 HG22 THR 63 -6.614 11.642 8.090 613 HG23 THR 63 HG23 THR 63 -5.401 12.635 7.281 614 H LYS 64 H LYS 64 -8.251 10.454 3.366 615 HA LYS 64 HA LYS 64 -10.540 12.233 2.891 616 HB2 LYS 64 HB3 LYS 64 -8.578 11.093 0.898 617 HB3 LYS 64 HB2 LYS 64 -9.832 12.273 0.558 618 HG2 LYS 64 HG3 LYS 64 -7.431 12.667 2.320 619 HG3 LYS 64 HG2 LYS 64 -7.682 13.349 0.714 620 HD2 LYS 64 HD3 LYS 64 -9.458 13.927 3.085 621 HD3 LYS 64 HD2 LYS 64 -8.088 14.931 2.624 622 HE2 LYS 64 HE3 LYS 64 -9.877 16.026 1.636 623 HE3 LYS 64 HE2 LYS 64 -9.246 15.048 0.314 624 HZ1 LYS 64 HZ1 LYS 64 -11.558 14.289 2.023 625 HZ2 LYS 64 HZ2 LYS 64 -10.992 13.453 0.668 626 HZ3 LYS 64 HZ3 LYS 64 -11.679 14.980 0.485 627 H LYS 65 H LYS 65 -9.359 8.958 2.346 628 HA LYS 65 HA LYS 65 -12.032 7.978 1.893 629 HB2 LYS 65 HB3 LYS 65 -11.076 8.967 -0.326 630 HB3 LYS 65 HB2 LYS 65 -10.066 7.535 -0.339 631 HG2 LYS 65 HG3 LYS 65 -13.064 7.423 -0.196 632 HG3 LYS 65 HG2 LYS 65 -12.163 7.429 -1.710 633 HD2 LYS 65 HD3 LYS 65 -10.996 5.385 -1.003 634 HD3 LYS 65 HD2 LYS 65 -11.947 5.374 0.486 635 HE2 LYS 65 HE3 LYS 65 -13.143 5.300 -2.278 636 HE3 LYS 65 HE2 LYS 65 -12.792 3.861 -1.328 637 HZ1 LYS 65 HZ1 LYS 65 -14.650 6.045 -0.559 638 HZ2 LYS 65 HZ2 LYS 65 -14.299 4.687 0.384 639 HZ3 LYS 65 HZ3 LYS 65 -15.092 4.502 -1.098 640 H ASP 66 H ASP 66 -12.136 5.821 2.463 641 HA ASP 66 HA ASP 66 -9.552 4.626 3.215 642 HB2 ASP 66 HB3 ASP 66 -12.274 3.997 4.381 643 HB3 ASP 66 HB2 ASP 66 -10.728 3.370 4.924 644 H THR 67 H THR 67 -8.950 2.809 2.284 645 HA THR 67 HA THR 67 -10.895 1.430 0.536 646 HB THR 67 HB THR 67 -9.021 0.680 -0.829 647 HG1 THR 67 HG1 THR 67 -7.574 1.645 1.331 648 HG21 THR 67 HG21 THR 67 -9.964 2.830 -1.418 649 HG22 THR 67 HG22 THR 67 -8.220 2.867 -1.675 650 HG23 THR 67 HG23 THR 67 -8.919 3.634 -0.252 651 H HIS 68 H HIS 68 -10.973 -0.848 0.595 652 HA HIS 68 HA HIS 68 -9.351 -2.131 2.655 653 HB2 HIS 68 HB3 HIS 68 -11.543 -1.442 3.676 654 HB3 HIS 68 HB2 HIS 68 -12.351 -2.490 2.519 655 HD1 HIS 68 HD1 HIS 68 -12.775 -3.080 5.438 656 HD2 HIS 68 HD2 HIS 68 -9.665 -4.736 3.240 657 HE1 HIS 68 HE1 HIS 68 -12.118 -5.174 6.663 658 HE2 HIS 68 HE2 HIS 68 -10.100 -6.050 5.417 659 H HIS 69 H HIS 69 -8.241 -3.314 1.232 660 HA HIS 69 HA HIS 69 -9.480 -4.815 -0.885 661 HB2 HIS 69 HB3 HIS 69 -6.731 -5.273 0.292 662 HB3 HIS 69 HB2 HIS 69 -7.292 -5.697 -1.319 663 HD1 HIS 69 HD1 HIS 69 -8.562 -2.774 -1.851 664 HD2 HIS 69 HD2 HIS 69 -4.693 -3.659 -0.608 665 HE1 HIS 69 HE1 HIS 69 -7.151 -0.810 -2.552 666 HE2 HIS 69 HE2 HIS 69 -4.777 -1.508 -2.034 667 H LYS 70 H LYS 70 -11.067 -5.976 0.250 668 HA LYS 70 HA LYS 70 -10.254 -7.694 2.433 669 HB2 LYS 70 HB3 LYS 70 -12.735 -8.158 2.521 670 HB3 LYS 70 HB2 LYS 70 -12.259 -6.489 2.797 671 HG2 LYS 70 HG3 LYS 70 -12.702 -6.163 0.294 672 HG3 LYS 70 HG2 LYS 70 -13.570 -7.695 0.388 673 HD2 LYS 70 HD3 LYS 70 -15.223 -6.079 0.721 674 HD3 LYS 70 HD2 LYS 70 -14.815 -6.618 2.350 675 HE2 LYS 70 HE3 LYS 70 -13.335 -4.699 2.626 676 HE3 LYS 70 HE2 LYS 70 -13.719 -4.163 0.992 677 HZ1 LYS 70 HZ1 LYS 70 -15.665 -4.401 3.223 678 HZ2 LYS 70 HZ2 LYS 70 -16.014 -3.859 1.660 679 HZ3 LYS 70 HZ3 LYS 70 -14.991 -2.955 2.656 680 H ASP 71 H ASP 71 -9.749 -9.718 2.234 681 HA ASP 71 HA ASP 71 -9.677 -11.904 1.588 682 HB2 ASP 71 HB3 ASP 71 -12.167 -11.650 1.728 683 HB3 ASP 71 HB2 ASP 71 -12.182 -11.278 0.013 684 H TRP 72 H TRP 72 -7.746 -11.056 0.404 685 HA TRP 72 HA TRP 72 -8.079 -11.565 -2.483 686 HB2 TRP 72 HB3 TRP 72 -6.215 -9.995 -2.894 687 HB3 TRP 72 HB2 TRP 72 -7.613 -9.203 -2.174 688 HD1 TRP 72 HD1 TRP 72 -7.342 -8.224 0.272 689 HE1 TRP 72 HE1 TRP 72 -5.286 -7.704 1.723 690 HE3 TRP 72 HE3 TRP 72 -3.796 -10.835 -2.334 691 HZ2 TRP 72 HZ2 TRP 72 -2.532 -8.326 1.744 692 HZ3 TRP 72 HZ3 TRP 72 -1.484 -10.783 -1.485 693 HH2 TRP 72 HH2 TRP 72 -0.874 -9.566 0.491 694 H ALA 73 H ALA 73 -6.224 -12.467 -3.572 695 HA ALA 73 HA ALA 73 -4.221 -13.682 -1.771 696 HB1 ALA 73 HB1 ALA 73 -4.132 -15.543 -3.395 697 HB2 ALA 73 HB2 ALA 73 -5.445 -14.785 -4.305 698 HB3 ALA 73 HB3 ALA 73 -5.728 -15.369 -2.662 699 H LEU 74 H LEU 74 -2.038 -13.559 -2.515 700 HA LEU 74 HA LEU 74 -1.479 -11.699 -4.547 701 HB2 LEU 74 HB3 LEU 74 0.876 -12.783 -4.535 702 HB3 LEU 74 HB2 LEU 74 0.343 -11.830 -3.177 703 HG LEU 74 HG LEU 74 1.661 -13.964 -2.721 704 HD11 LEU 74 HD11 LEU 74 0.383 -14.467 -0.695 705 HD12 LEU 74 HD12 LEU 74 -0.970 -13.527 -1.321 706 HD13 LEU 74 HD13 LEU 74 0.564 -12.735 -0.960 707 HD21 LEU 74 HD21 LEU 74 0.492 -15.440 -4.237 708 HD22 LEU 74 HD22 LEU 74 -1.006 -15.212 -3.334 709 HD23 LEU 74 HD23 LEU 74 0.365 -16.028 -2.578 710 H GLY 75 H GLY 75 -0.639 -12.003 -6.597 711 HA2 GLY 75 HA3 GLY 75 -0.646 -13.015 -8.696 712 HA3 GLY 75 HA2 GLY 75 -1.193 -14.505 -7.944 713 H GLU 76 H GLU 76 -3.159 -12.183 -6.722 714 HA GLU 76 HA GLU 76 -5.223 -12.832 -8.705 715 HB2 GLU 76 HB3 GLU 76 -5.647 -13.690 -6.453 716 HB3 GLU 76 HB2 GLU 76 -5.536 -12.060 -5.804 717 HG2 GLU 76 HG3 GLU 76 -7.500 -11.402 -7.048 718 HG3 GLU 76 HG2 GLU 76 -7.585 -12.994 -7.791 719 H GLU 77 H GLU 77 -6.795 -11.277 -9.245 720 HA GLU 77 HA GLU 77 -5.997 -8.454 -8.892 721 HB2 GLU 77 HB3 GLU 77 -5.297 -9.158 -11.129 722 HB3 GLU 77 HB2 GLU 77 -6.888 -9.831 -11.452 723 HG2 GLU 77 HG3 GLU 77 -7.843 -7.559 -11.294 724 HG3 GLU 77 HG2 GLU 77 -6.214 -6.922 -11.078 725 H PHE 78 H PHE 78 -7.644 -7.359 -7.996 726 HA PHE 78 HA PHE 78 -10.405 -8.308 -8.401 727 HB2 PHE 78 HB3 PHE 78 -10.783 -7.926 -5.948 728 HB3 PHE 78 HB2 PHE 78 -9.703 -9.266 -6.304 729 HD1 PHE 78 HD1 PHE 78 -7.347 -9.144 -5.774 730 HD2 PHE 78 HD2 PHE 78 -9.964 -5.901 -4.909 731 HE1 PHE 78 HE1 PHE 78 -5.637 -8.162 -4.304 732 HE2 PHE 78 HE2 PHE 78 -8.259 -4.911 -3.439 733 HZ PHE 78 HZ PHE 78 -6.095 -6.040 -3.137 734 H GLN 79 H GLN 79 -12.041 -6.671 -7.928 735 HA GLN 79 HA GLN 79 -11.072 -3.994 -8.489 736 HB2 GLN 79 HB3 GLN 79 -13.823 -5.195 -8.338 737 HB3 GLN 79 HB2 GLN 79 -13.595 -3.453 -8.373 738 HG2 GLN 79 HG3 GLN 79 -14.009 -4.070 -10.593 739 HG3 GLN 79 HG2 GLN 79 -12.272 -3.804 -10.498 740 HE21 GLN 79 HE21 GLN 79 -14.788 -6.193 -10.758 741 HE22 GLN 79 HE22 GLN 79 -13.777 -7.484 -11.311 742 H ASP 80 H ASP 80 -11.660 -2.160 -7.206 743 HA ASP 80 HA ASP 80 -12.337 -2.629 -4.428 744 HB2 ASP 80 HB3 ASP 80 -9.861 -3.157 -4.717 745 HB3 ASP 80 HB2 ASP 80 -9.636 -1.453 -5.092 746 H GLU 81 H GLU 81 -12.622 -0.667 -3.233 747 HA GLU 81 HA GLU 81 -13.342 1.591 -4.935 748 HB2 GLU 81 HB3 GLU 81 -14.481 2.451 -2.885 749 HB3 GLU 81 HB2 GLU 81 -15.080 0.882 -3.400 750 HG2 GLU 81 HG3 GLU 81 -13.775 -0.206 -1.670 751 HG3 GLU 81 HG2 GLU 81 -13.112 1.346 -1.172 752 H ALA 82 H ALA 82 -11.366 2.403 -5.395 753 HA ALA 82 HA ALA 82 -9.278 2.505 -3.470 754 HB1 ALA 82 HB1 ALA 82 -8.871 2.068 -5.811 755 HB2 ALA 82 HB2 ALA 82 -7.968 3.483 -5.261 756 HB3 ALA 82 HB3 ALA 82 -9.438 3.685 -6.220 757 H LEU 83 H LEU 83 -7.909 4.568 -3.314 758 HA LEU 83 HA LEU 83 -9.247 6.414 -1.749 759 HB2 LEU 83 HB3 LEU 83 -6.689 6.925 -3.281 760 HB3 LEU 83 HB2 LEU 83 -7.268 7.841 -1.904 761 HG LEU 83 HG LEU 83 -5.542 6.501 -1.082 762 HD11 LEU 83 HD11 LEU 83 -7.293 6.514 0.463 763 HD12 LEU 83 HD12 LEU 83 -6.733 4.840 0.393 764 HD13 LEU 83 HD13 LEU 83 -8.210 5.317 -0.445 765 HD21 LEU 83 HD21 LEU 83 -5.424 4.941 -3.004 766 HD22 LEU 83 HD22 LEU 83 -6.784 4.054 -2.316 767 HD23 LEU 83 HD23 LEU 83 -5.262 4.154 -1.436 768 H ASP 84 H ASP 84 -8.811 6.310 -5.180 769 HA ASP 84 HA ASP 84 -9.474 9.119 -5.511 770 HB2 ASP 84 HB3 ASP 84 -9.093 8.759 -7.897 771 HB3 ASP 84 HB2 ASP 84 -7.745 8.155 -6.948 772 H SER 85 H SER 85 -11.284 6.722 -4.655 773 HA SER 85 HA SER 85 -13.518 6.448 -4.524 774 HB2 SER 85 HB3 SER 85 -13.519 8.928 -4.299 775 HB3 SER 85 HB2 SER 85 -13.701 9.063 -6.046 776 HG SER 85 HG SER 85 -15.688 7.922 -5.843 777 H THR 86 H THR 86 -12.278 5.033 -6.480 778 HA THR 86 HA THR 86 -14.443 4.842 -8.453 779 HB THR 86 HB THR 86 -12.702 3.947 -10.066 780 HG1 THR 86 HG1 THR 86 -10.689 5.432 -8.939 781 HG21 THR 86 HG21 THR 86 -12.454 6.848 -9.272 782 HG22 THR 86 HG22 THR 86 -13.726 6.170 -10.288 783 HG23 THR 86 HG23 THR 86 -12.055 6.156 -10.845 784 H GLN 87 H GLN 87 -14.430 2.622 -9.490 785 HA GLN 87 HA GLN 87 -13.909 0.609 -7.405 786 HB2 GLN 87 HB3 GLN 87 -15.747 0.456 -9.804 787 HB3 GLN 87 HB2 GLN 87 -15.594 -0.753 -8.538 788 HG2 GLN 87 HG3 GLN 87 -16.599 2.052 -8.156 789 HG3 GLN 87 HG2 GLN 87 -17.602 0.611 -8.297 790 HE21 GLN 87 HE21 GLN 87 -15.468 2.427 -6.274 791 HE22 GLN 87 HE22 GLN 87 -15.761 1.537 -4.823 792 H HIS 88 H HIS 88 -11.638 1.059 -8.439 793 HA HIS 88 HA HIS 88 -11.459 -0.205 -11.066 794 HB2 HIS 88 HB3 HIS 88 -9.313 0.761 -11.398 795 HB3 HIS 88 HB2 HIS 88 -10.445 2.003 -10.897 796 HD1 HIS 88 HD1 HIS 88 -7.801 -0.193 -9.219 797 HD2 HIS 88 HD2 HIS 88 -9.390 3.635 -9.120 798 HE1 HIS 88 HE1 HIS 88 -6.387 1.081 -7.572 799 HE2 HIS 88 HE2 HIS 88 -7.263 3.448 -7.659 800 H LYS 89 H LYS 89 -9.457 -1.482 -11.569 801 HA LYS 89 HA LYS 89 -9.623 -3.668 -9.702 802 HB2 LYS 89 HB3 LYS 89 -8.773 -5.036 -11.430 803 HB3 LYS 89 HB2 LYS 89 -9.882 -3.910 -12.201 804 HG2 LYS 89 HG3 LYS 89 -8.061 -2.600 -13.040 805 HG3 LYS 89 HG2 LYS 89 -6.894 -3.590 -12.158 806 HD2 LYS 89 HD3 LYS 89 -7.699 -5.563 -13.448 807 HD3 LYS 89 HD2 LYS 89 -8.694 -4.468 -14.409 808 HE2 LYS 89 HE3 LYS 89 -6.779 -3.349 -15.256 809 HE3 LYS 89 HE2 LYS 89 -5.715 -4.183 -14.122 810 HZ1 LYS 89 HZ1 LYS 89 -5.606 -5.132 -16.358 811 HZ2 LYS 89 HZ2 LYS 89 -7.255 -5.494 -16.296 812 HZ3 LYS 89 HZ3 LYS 89 -6.182 -6.257 -15.233 813 H ILE 90 H ILE 90 -7.865 -4.766 -8.888 814 HA ILE 90 HA ILE 90 -5.319 -3.351 -8.753 815 HB ILE 90 HB ILE 90 -7.114 -3.972 -6.417 816 HG12 ILE 90 HG13 ILE 90 -5.626 -1.470 -7.234 817 HG13 ILE 90 HG12 ILE 90 -7.338 -1.770 -7.507 818 HG21 ILE 90 HG21 ILE 90 -4.177 -3.320 -6.303 819 HG22 ILE 90 HG22 ILE 90 -4.908 -4.890 -5.941 820 HG23 ILE 90 HG23 ILE 90 -5.263 -3.491 -4.921 821 HD11 ILE 90 HD11 ILE 90 -5.977 -1.513 -4.841 822 HD12 ILE 90 HD12 ILE 90 -7.687 -1.861 -5.091 823 HD13 ILE 90 HD13 ILE 90 -7.015 -0.316 -5.617 824 H THR 91 H THR 91 -3.642 -4.720 -8.675 825 HA THR 91 HA THR 91 -4.238 -7.567 -8.236 826 HB THR 91 HB THR 91 -1.921 -6.447 -9.803 827 HG1 THR 91 HG1 THR 91 -4.565 -6.978 -10.534 828 HG21 THR 91 HG21 THR 91 -1.593 -8.721 -8.988 829 HG22 THR 91 HG22 THR 91 -1.813 -8.719 -10.738 830 HG23 THR 91 HG23 THR 91 -3.140 -9.204 -9.683 831 H PHE 92 H PHE 92 -3.226 -8.572 -6.647 832 HA PHE 92 HA PHE 92 -0.941 -7.234 -5.350 833 HB2 PHE 92 HB3 PHE 92 -3.165 -8.881 -4.279 834 HB3 PHE 92 HB2 PHE 92 -1.572 -9.193 -3.595 835 HD1 PHE 92 HD1 PHE 92 -4.221 -6.693 -4.033 836 HD2 PHE 92 HD2 PHE 92 -0.510 -7.598 -2.168 837 HE1 PHE 92 HE1 PHE 92 -4.490 -4.737 -2.562 838 HE2 PHE 92 HE2 PHE 92 -0.772 -5.645 -0.699 839 HZ PHE 92 HZ PHE 92 -2.750 -4.250 -0.847 840 H ASP 93 H ASP 93 0.980 -8.310 -5.290 841 HA ASP 93 HA ASP 93 1.148 -11.103 -5.994 842 HB2 ASP 93 HB3 ASP 93 0.862 -9.937 -8.193 843 HB3 ASP 93 HB2 ASP 93 2.331 -9.032 -7.858 844 H LEU 94 H LEU 94 3.210 -11.960 -5.504 845 HA LEU 94 HA LEU 94 4.851 -10.119 -3.937 846 HB2 LEU 94 HB3 LEU 94 4.219 -12.908 -3.710 847 HB3 LEU 94 HB2 LEU 94 5.961 -12.660 -3.727 848 HG LEU 94 HG LEU 94 5.587 -10.877 -1.960 849 HD11 LEU 94 HD11 LEU 94 3.227 -10.547 -2.284 850 HD12 LEU 94 HD12 LEU 94 3.544 -11.091 -0.634 851 HD13 LEU 94 HD13 LEU 94 2.899 -12.219 -1.828 852 HD21 LEU 94 HD21 LEU 94 5.488 -12.499 -0.159 853 HD22 LEU 94 HD22 LEU 94 6.541 -13.036 -1.464 854 HD23 LEU 94 HD23 LEU 94 4.930 -13.730 -1.291 855 H LYS 95 H LYS 95 6.652 -9.332 -4.646 856 HA LYS 95 HA LYS 95 7.588 -10.129 -7.284 857 HB2 LYS 95 HB3 LYS 95 7.361 -7.764 -6.956 858 HB3 LYS 95 HB2 LYS 95 8.234 -7.826 -5.433 859 HG2 LYS 95 HG3 LYS 95 9.609 -6.851 -7.157 860 HG3 LYS 95 HG2 LYS 95 10.284 -8.395 -6.641 861 HD2 LYS 95 HD3 LYS 95 9.002 -9.395 -8.625 862 HD3 LYS 95 HD2 LYS 95 8.848 -7.728 -9.189 863 HE2 LYS 95 HE3 LYS 95 10.783 -8.775 -10.204 864 HE3 LYS 95 HE2 LYS 95 11.293 -7.495 -9.105 865 HZ1 LYS 95 HZ1 LYS 95 12.647 -9.472 -8.835 866 HZ2 LYS 95 HZ2 LYS 95 11.277 -10.399 -8.487 867 HZ3 LYS 95 HZ3 LYS 95 11.762 -9.176 -7.420 868 H ASP 96 H ASP 96 8.820 -9.682 -4.012 869 HA ASP 96 HA ASP 96 10.620 -11.957 -4.381 870 HB2 ASP 96 HB3 ASP 96 11.409 -9.240 -3.292 871 HB3 ASP 96 HB2 ASP 96 12.368 -10.689 -3.056 872 HA PRO 97 HA PRO 97 9.101 -13.077 -0.389 873 HB2 PRO 97 HB3 PRO 97 11.779 -13.673 0.657 874 HB3 PRO 97 HB2 PRO 97 10.450 -14.777 0.291 875 HG2 PRO 97 HG3 PRO 97 12.672 -14.713 -1.209 876 HG3 PRO 97 HG2 PRO 97 11.075 -15.001 -1.924 877 HD2 PRO 97 HD3 PRO 97 12.666 -12.455 -1.822 878 HD3 PRO 97 HD2 PRO 97 11.802 -13.173 -3.196 879 H ASN 98 H ASN 98 10.858 -10.387 -0.762 880 HA ASN 98 HA ASN 98 10.284 -9.503 1.964 881 HB2 ASN 98 HB3 ASN 98 12.733 -10.023 1.780 882 HB3 ASN 98 HB2 ASN 98 12.852 -8.809 0.512 883 HD21 ASN 98 HD21 ASN 98 12.273 -9.351 3.916 884 HD22 ASN 98 HD22 ASN 98 12.592 -7.726 4.423 885 H THR 99 H THR 99 9.278 -9.262 -0.963 886 HA THR 99 HA THR 99 8.612 -6.455 -0.710 887 HB THR 99 HB THR 99 9.900 -7.426 -3.267 888 HG1 THR 99 HG1 THR 99 11.001 -6.527 -0.993 889 HG21 THR 99 HG21 THR 99 9.766 -5.069 -3.930 890 HG22 THR 99 HG22 THR 99 8.952 -4.684 -2.413 891 HG23 THR 99 HG23 THR 99 8.163 -5.723 -3.600 892 H LEU 100 H LEU 100 6.513 -6.625 -0.676 893 HA LEU 100 HA LEU 100 4.981 -8.324 -2.478 894 HB2 LEU 100 HB3 LEU 100 4.562 -7.219 0.018 895 HB3 LEU 100 HB2 LEU 100 3.640 -6.142 -1.007 896 HG LEU 100 HG LEU 100 3.242 -9.126 -0.811 897 HD11 LEU 100 HD11 LEU 100 1.157 -8.532 0.333 898 HD12 LEU 100 HD12 LEU 100 1.625 -6.831 0.284 899 HD13 LEU 100 HD13 LEU 100 2.578 -7.981 1.222 900 HD21 LEU 100 HD21 LEU 100 1.205 -8.723 -2.101 901 HD22 LEU 100 HD22 LEU 100 2.645 -8.275 -3.013 902 HD23 LEU 100 HD23 LEU 100 1.648 -7.025 -2.270 903 H THR 101 H THR 101 3.590 -7.380 -4.220 904 HA THR 101 HA THR 101 4.082 -4.520 -4.718 905 HB THR 101 HB THR 101 3.759 -5.110 -7.197 906 HG1 THR 101 HG1 THR 101 3.789 -7.608 -6.075 907 HG21 THR 101 HG21 THR 101 6.271 -5.953 -5.759 908 HG22 THR 101 HG22 THR 101 5.857 -4.317 -6.268 909 HG23 THR 101 HG23 THR 101 6.152 -5.569 -7.475 910 H GLU 102 H GLU 102 2.346 -3.306 -4.987 911 HA GLU 102 HA GLU 102 -0.256 -4.642 -5.397 912 HB2 GLU 102 HB3 GLU 102 0.021 -3.563 -3.163 913 HB3 GLU 102 HB2 GLU 102 0.267 -2.021 -3.970 914 HG2 GLU 102 HG3 GLU 102 -1.994 -2.187 -4.926 915 HG3 GLU 102 HG2 GLU 102 -2.233 -3.700 -4.054 916 H THR 103 H THR 103 -0.916 -4.345 -7.436 917 HA THR 103 HA THR 103 -0.074 -1.908 -8.847 918 HB THR 103 HB THR 103 -1.187 -4.486 -9.970 919 HG1 THR 103 HG1 THR 103 1.141 -4.154 -8.963 920 HG21 THR 103 HG21 THR 103 -0.389 -3.603 -12.130 921 HG22 THR 103 HG22 THR 103 0.055 -2.093 -11.336 922 HG23 THR 103 HG23 THR 103 -1.638 -2.581 -11.419 923 H HIS 104 H HIS 104 -1.527 -0.329 -8.967 924 HA HIS 104 HA HIS 104 -4.389 -0.980 -8.856 925 HB2 HIS 104 HB3 HIS 104 -3.106 1.758 -8.816 926 HB3 HIS 104 HB2 HIS 104 -4.773 1.367 -8.448 927 HD1 HIS 104 HD1 HIS 104 -2.699 2.879 -6.561 928 HD2 HIS 104 HD2 HIS 104 -3.878 -1.109 -6.291 929 HE1 HIS 104 HE1 HIS 104 -2.390 2.229 -4.150 930 HE2 HIS 104 HE2 HIS 104 -3.125 -0.181 -3.999 931 H ILE 105 H ILE 105 -5.464 -1.149 -10.761 932 HA ILE 105 HA ILE 105 -4.641 0.712 -12.883 933 HB ILE 105 HB ILE 105 -5.658 -2.104 -13.213 934 HG12 ILE 105 HG13 ILE 105 -3.114 -0.703 -14.044 935 HG13 ILE 105 HG12 ILE 105 -3.269 -1.893 -12.756 936 HG21 ILE 105 HG21 ILE 105 -5.576 -1.685 -15.640 937 HG22 ILE 105 HG22 ILE 105 -5.221 0.011 -15.323 938 HG23 ILE 105 HG23 ILE 105 -6.777 -0.665 -14.840 939 HD11 ILE 105 HD11 ILE 105 -2.307 -2.833 -14.783 940 HD12 ILE 105 HD12 ILE 105 -3.770 -2.398 -15.668 941 HD13 ILE 105 HD13 ILE 105 -3.845 -3.587 -14.368 942 H LYS 106 H LYS 106 -6.038 2.210 -13.143 943 HA LYS 106 HA LYS 106 -8.667 2.259 -12.231 944 HB2 LYS 106 HB3 LYS 106 -7.266 3.848 -14.370 945 HB3 LYS 106 HB2 LYS 106 -8.906 4.200 -13.838 946 HG2 LYS 106 HG3 LYS 106 -8.173 4.752 -11.651 947 HG3 LYS 106 HG2 LYS 106 -6.557 4.113 -11.961 948 HD2 LYS 106 HD3 LYS 106 -6.134 5.862 -13.566 949 HD3 LYS 106 HD2 LYS 106 -7.778 6.462 -13.399 950 HE2 LYS 106 HE3 LYS 106 -5.899 6.310 -11.065 951 HE3 LYS 106 HE2 LYS 106 -5.916 7.696 -12.152 952 HZ1 LYS 106 HZ1 LYS 106 -7.305 8.145 -10.280 953 HZ2 LYS 106 HZ2 LYS 106 -8.186 6.716 -10.499 954 HZ3 LYS 106 HZ3 LYS 106 -8.295 7.962 -11.639 955 H VAL 107 H VAL 107 -10.326 1.112 -12.871 956 HA VAL 107 HA VAL 107 -10.465 -0.334 -15.264 957 HB VAL 107 HB VAL 107 -12.903 -0.618 -14.756 958 HG11 VAL 107 HG11 VAL 107 -12.470 -2.008 -12.748 959 HG12 VAL 107 HG12 VAL 107 -10.862 -1.290 -12.646 960 HG13 VAL 107 HG13 VAL 107 -11.303 -2.269 -14.044 961 HG21 VAL 107 HG21 VAL 107 -13.368 1.375 -13.603 962 HG22 VAL 107 HG22 VAL 107 -12.072 1.084 -12.453 963 HG23 VAL 107 HG23 VAL 107 -13.515 0.069 -12.423 964 H ASP 108 H ASP 108 -11.185 2.910 -14.516 965 HA ASP 108 HA ASP 108 -12.868 3.405 -16.792 966 HB2 ASP 108 HB3 ASP 108 -11.477 5.223 -14.825 967 HB3 ASP 108 HB2 ASP 108 -12.395 5.841 -16.194 968 H ASP 109 H ASP 109 -9.475 3.902 -15.955 969 HA ASP 109 HA ASP 109 -8.811 3.996 -18.784 970 HB2 ASP 109 HB3 ASP 109 -8.175 6.196 -16.820 971 HB3 ASP 109 HB2 ASP 109 -7.153 5.909 -18.223 972 HA PRO 110 HA PRO 110 -6.053 1.218 -16.536 973 HB2 PRO 110 HB3 PRO 110 -5.582 -0.399 -18.655 974 HB3 PRO 110 HB2 PRO 110 -7.031 -0.517 -17.659 975 HG2 PRO 110 HG3 PRO 110 -6.671 0.789 -20.316 976 HG3 PRO 110 HG2 PRO 110 -8.005 -0.209 -19.723 977 HD2 PRO 110 HD3 PRO 110 -8.121 2.483 -19.813 978 HD3 PRO 110 HD2 PRO 110 -8.988 1.518 -18.610 979 H THR 111 H THR 111 -5.530 3.508 -18.882 980 HA THR 111 HA THR 111 -2.798 2.987 -19.521 981 HB THR 111 HB THR 111 -2.781 5.434 -20.137 982 HG1 THR 111 HG1 THR 111 -4.368 6.215 -18.717 983 HG21 THR 111 HG21 THR 111 -3.375 3.677 -21.753 984 HG22 THR 111 HG22 THR 111 -4.267 5.168 -22.048 985 HG23 THR 111 HG23 THR 111 -5.062 3.808 -21.257 986 H ASP 112 H ASP 112 -4.513 4.345 -16.882 987 HA ASP 112 HA ASP 112 -2.137 5.605 -15.749 988 HB2 ASP 112 HB3 ASP 112 -5.057 5.653 -15.043 989 HB3 ASP 112 HB2 ASP 112 -3.838 6.297 -13.951 990 H VAL 113 H VAL 113 -1.603 3.036 -15.807 991 HA VAL 113 HA VAL 113 -2.353 1.521 -13.580 992 HB VAL 113 HB VAL 113 -1.283 0.622 -15.618 993 HG11 VAL 113 HG11 VAL 113 1.185 1.991 -14.580 994 HG12 VAL 113 HG12 VAL 113 0.304 2.386 -16.055 995 HG13 VAL 113 HG13 VAL 113 1.142 0.840 -15.915 996 HG21 VAL 113 HG21 VAL 113 0.209 -0.940 -14.537 997 HG22 VAL 113 HG22 VAL 113 -1.230 -0.654 -13.563 998 HG23 VAL 113 HG23 VAL 113 0.294 0.108 -13.124 999 H GLU 114 H GLU 114 -0.905 1.013 -11.726 1000 HA GLU 114 HA GLU 114 1.028 3.019 -10.955 1001 HB2 GLU 114 HB3 GLU 114 -1.057 4.123 -10.401 1002 HB3 GLU 114 HB2 GLU 114 -1.638 2.693 -9.573 1003 HG2 GLU 114 HG3 GLU 114 -0.018 2.985 -7.825 1004 HG3 GLU 114 HG2 GLU 114 0.714 4.345 -8.683 1005 H THR 115 H THR 115 2.464 2.180 -9.444 1006 HA THR 115 HA THR 115 1.779 -0.461 -8.356 1007 HB THR 115 HB THR 115 4.457 0.232 -9.574 1008 HG1 THR 115 HG1 THR 115 2.165 -0.630 -10.699 1009 HG21 THR 115 HG21 THR 115 3.390 -2.391 -8.506 1010 HG22 THR 115 HG22 THR 115 4.575 -1.367 -7.697 1011 HG23 THR 115 HG23 THR 115 4.974 -2.131 -9.236 1012 H TYR 116 H TYR 116 1.891 -0.449 -6.270 1013 HA TYR 116 HA TYR 116 3.987 1.096 -4.881 1014 HB2 TYR 116 HB3 TYR 116 1.670 -0.483 -3.714 1015 HB3 TYR 116 HB2 TYR 116 2.796 0.510 -2.813 1016 HD1 TYR 116 HD1 TYR 116 2.113 2.335 -5.705 1017 HD2 TYR 116 HD2 TYR 116 0.311 1.108 -2.054 1018 HE1 TYR 116 HE1 TYR 116 0.553 4.231 -5.839 1019 HE2 TYR 116 HE2 TYR 116 -1.248 2.996 -2.176 1020 HH TYR 116 HH TYR 116 -1.385 5.193 -3.204 1021 H GLU 117 H GLU 117 5.440 -0.204 -3.360 1022 HA GLU 117 HA GLU 117 5.130 -3.071 -3.662 1023 HB2 GLU 117 HB3 GLU 117 7.547 -3.361 -4.074 1024 HB3 GLU 117 HB2 GLU 117 6.751 -2.508 -5.385 1025 HG2 GLU 117 HG3 GLU 117 7.587 -0.377 -4.437 1026 HG3 GLU 117 HG2 GLU 117 8.481 -1.312 -3.238 1027 H TYR 118 H TYR 118 5.272 -4.009 -1.736 1028 HA TYR 118 HA TYR 118 6.003 -2.292 0.518 1029 HB2 TYR 118 HB3 TYR 118 4.354 -4.824 0.433 1030 HB3 TYR 118 HB2 TYR 118 4.702 -3.899 1.888 1031 HD1 TYR 118 HD1 TYR 118 3.835 -1.551 2.067 1032 HD2 TYR 118 HD2 TYR 118 2.562 -4.183 -1.006 1033 HE1 TYR 118 HE1 TYR 118 1.874 -0.137 1.671 1034 HE2 TYR 118 HE2 TYR 118 0.610 -2.785 -1.409 1035 HH TYR 118 HH TYR 118 -0.601 -1.147 -0.645 1036 H ARG 119 H ARG 119 7.949 -2.509 1.218 1037 HA ARG 119 HA ARG 119 9.181 -5.177 1.377 1038 HB2 ARG 119 HB3 ARG 119 10.484 -3.864 -0.097 1039 HB3 ARG 119 HB2 ARG 119 10.328 -2.431 0.906 1040 HG2 ARG 119 HG3 ARG 119 11.883 -3.220 2.468 1041 HG3 ARG 119 HG2 ARG 119 11.812 -4.870 1.832 1042 HD2 ARG 119 HD3 ARG 119 12.933 -2.448 0.425 1043 HD3 ARG 119 HD2 ARG 119 13.864 -3.763 1.142 1044 HE ARG 119 HE ARG 119 11.958 -4.553 -0.892 1045 HH11 ARG 119 HH11 ARG 119 15.263 -3.679 -0.170 1046 HH12 ARG 119 HH12 ARG 119 15.900 -4.384 -1.619 1047 HH21 ARG 119 HH21 ARG 119 12.784 -5.505 -2.785 1048 HH22 ARG 119 HH22 ARG 119 14.490 -5.437 -3.105 1049 H ARG 120 H ARG 120 10.176 -5.766 3.347 1050 HA ARG 120 HA ARG 120 9.345 -4.082 5.604 1051 HB2 ARG 120 HB3 ARG 120 8.532 -6.419 5.623 1052 HB3 ARG 120 HB2 ARG 120 10.197 -6.984 5.613 1053 HG2 ARG 120 HG3 ARG 120 9.403 -7.117 7.848 1054 HG3 ARG 120 HG2 ARG 120 10.545 -5.773 7.767 1055 HD2 ARG 120 HD3 ARG 120 8.591 -4.231 7.511 1056 HD3 ARG 120 HD2 ARG 120 7.535 -5.614 7.790 1057 HE ARG 120 HE ARG 120 9.538 -4.786 9.790 1058 HH11 ARG 120 HH11 ARG 120 6.249 -5.655 8.932 1059 HH12 ARG 120 HH12 ARG 120 5.653 -5.496 10.555 1060 HH21 ARG 120 HH21 ARG 120 8.742 -4.600 11.932 1061 HH22 ARG 120 HH22 ARG 120 7.065 -4.897 12.251 1062 H ASP 121 H ASP 121 10.945 -2.649 5.965 1063 HA ASP 121 HA ASP 121 13.701 -3.633 6.001 1064 HB2 ASP 121 HB3 ASP 121 13.122 -1.536 4.711 1065 HB3 ASP 121 HB2 ASP 121 12.795 -0.763 6.259 1066 H GLY 122 H GLY 122 13.420 -4.826 7.899 1067 HA2 GLY 122 HA3 GLY 122 13.848 -5.112 10.136 1068 HA3 GLY 122 HA2 GLY 122 14.144 -3.384 10.244 1069 H ASP 123 H ASP 123 12.757 -2.220 11.356 1070 HA ASP 123 HA ASP 123 10.377 -3.545 12.391 1071 HB2 ASP 123 HB3 ASP 123 11.912 -2.488 13.981 1072 HB3 ASP 123 HB2 ASP 123 11.711 -0.941 13.168 1073 H TYR 124 H TYR 124 11.150 -1.510 9.865 1074 HA TYR 124 HA TYR 124 8.575 -0.103 10.002 1075 HB2 TYR 124 HB3 TYR 124 11.163 0.595 8.626 1076 HB3 TYR 124 HB2 TYR 124 9.648 1.417 8.266 1077 HD1 TYR 124 HD1 TYR 124 12.048 0.671 10.991 1078 HD2 TYR 124 HD2 TYR 124 8.873 3.158 9.644 1079 HE1 TYR 124 HE1 TYR 124 12.454 2.199 12.874 1080 HE2 TYR 124 HE2 TYR 124 9.267 4.689 11.520 1081 HH TYR 124 HH TYR 124 10.277 4.594 13.805 1082 H LEU 125 H LEU 125 7.064 -0.424 8.507 1083 HA LEU 125 HA LEU 125 7.550 -2.219 6.305 1084 HB2 LEU 125 HB3 LEU 125 5.423 -2.222 7.612 1085 HB3 LEU 125 HB2 LEU 125 5.108 -0.591 7.076 1086 HG LEU 125 HG LEU 125 3.838 -2.525 5.958 1087 HD11 LEU 125 HD11 LEU 125 3.969 -0.145 5.166 1088 HD12 LEU 125 HD12 LEU 125 3.624 -1.351 3.930 1089 HD13 LEU 125 HD13 LEU 125 5.247 -0.667 4.067 1090 HD21 LEU 125 HD21 LEU 125 4.946 -3.549 4.040 1091 HD22 LEU 125 HD22 LEU 125 5.736 -3.988 5.556 1092 HD23 LEU 125 HD23 LEU 125 6.463 -2.776 4.502 1093 H VAL 126 H VAL 126 8.364 -1.483 4.442 1094 HA VAL 126 HA VAL 126 8.323 1.428 4.009 1095 HB VAL 126 HB VAL 126 10.630 -0.466 3.505 1096 HG11 VAL 126 HG11 VAL 126 10.392 2.480 2.888 1097 HG12 VAL 126 HG12 VAL 126 10.450 1.168 1.709 1098 HG13 VAL 126 HG13 VAL 126 11.854 1.506 2.720 1099 HG21 VAL 126 HG21 VAL 126 10.388 0.193 5.846 1100 HG22 VAL 126 HG22 VAL 126 10.375 1.891 5.371 1101 HG23 VAL 126 HG23 VAL 126 11.824 0.918 5.126 1102 H MET 127 H MET 127 7.698 2.046 2.047 1103 HA MET 127 HA MET 127 7.413 -0.066 0.026 1104 HB2 MET 127 HB3 MET 127 5.192 0.776 -0.581 1105 HB3 MET 127 HB2 MET 127 5.241 0.190 1.077 1106 HG2 MET 127 HG3 MET 127 5.547 2.545 1.809 1107 HG3 MET 127 HG2 MET 127 5.253 3.040 0.147 1108 HE1 MET 127 HE1 MET 127 1.589 1.987 -0.469 1109 HE2 MET 127 HE2 MET 127 3.054 1.100 -0.883 1110 HE3 MET 127 HE3 MET 127 2.995 2.849 -1.093 1111 H LYS 128 H LYS 128 7.364 0.632 -2.111 1112 HA LYS 128 HA LYS 128 8.390 3.347 -2.498 1113 HB2 LYS 128 HB3 LYS 128 10.251 1.773 -2.730 1114 HB3 LYS 128 HB2 LYS 128 9.334 0.836 -3.903 1115 HG2 LYS 128 HG3 LYS 128 9.333 2.759 -5.426 1116 HG3 LYS 128 HG2 LYS 128 10.281 3.676 -4.257 1117 HD2 LYS 128 HD3 LYS 128 11.180 1.066 -5.465 1118 HD3 LYS 128 HD2 LYS 128 11.599 2.646 -6.127 1119 HE2 LYS 128 HE3 LYS 128 12.689 3.243 -4.026 1120 HE3 LYS 128 HE2 LYS 128 12.251 1.678 -3.343 1121 HZ1 LYS 128 HZ1 LYS 128 13.978 2.037 -5.732 1122 HZ2 LYS 128 HZ2 LYS 128 13.643 0.585 -4.934 1123 HZ3 LYS 128 HZ3 LYS 128 14.555 1.782 -4.162 1124 H MET 129 H MET 129 7.453 4.472 -4.017 1125 HA MET 129 HA MET 129 5.619 3.128 -5.899 1126 HB2 MET 129 HB3 MET 129 5.211 5.862 -4.655 1127 HB3 MET 129 HB2 MET 129 4.059 4.953 -5.626 1128 HG2 MET 129 HG3 MET 129 3.526 3.523 -3.907 1129 HG3 MET 129 HG2 MET 129 5.054 3.786 -3.070 1130 HE1 MET 129 HE1 MET 129 1.460 5.179 -3.800 1131 HE2 MET 129 HE2 MET 129 2.506 6.395 -4.536 1132 HE3 MET 129 HE3 MET 129 1.557 6.799 -3.101 1133 H SER 130 H SER 130 6.217 3.565 -8.001 1134 HA SER 130 HA SER 130 7.924 5.924 -8.396 1135 HB2 SER 130 HB3 SER 130 8.444 3.326 -9.810 1136 HB3 SER 130 HB2 SER 130 9.509 4.718 -9.642 1137 HG SER 130 HG SER 130 8.688 2.969 -7.555 1138 H TRP 131 H TRP 131 7.564 7.089 -10.131 1139 HA TRP 131 HA TRP 131 6.243 5.957 -12.460 1140 HB2 TRP 131 HB3 TRP 131 4.475 6.930 -10.859 1141 HB3 TRP 131 HB2 TRP 131 5.145 8.504 -11.284 1142 HD1 TRP 131 HD1 TRP 131 4.219 9.592 -13.438 1143 HE1 TRP 131 HE1 TRP 131 2.708 8.810 -15.370 1144 HE3 TRP 131 HE3 TRP 131 3.930 4.645 -12.251 1145 HZ2 TRP 131 HZ2 TRP 131 1.554 6.392 -16.270 1146 HZ3 TRP 131 HZ3 TRP 131 2.608 3.162 -13.688 1147 HH2 TRP 131 HH2 TRP 131 1.447 4.017 -15.663 1148 H LYS 132 H LYS 132 6.965 6.821 -14.306 1149 HA LYS 132 HA LYS 132 8.420 7.855 -15.678 1150 HB2 LYS 132 HB3 LYS 132 7.736 10.206 -13.911 1151 HB3 LYS 132 HB2 LYS 132 8.605 10.330 -15.433 1152 HG2 LYS 132 HG3 LYS 132 6.682 9.458 -16.629 1153 HG3 LYS 132 HG2 LYS 132 5.805 9.269 -15.109 1154 HD2 LYS 132 HD3 LYS 132 5.864 11.660 -14.740 1155 HD3 LYS 132 HD2 LYS 132 6.845 11.887 -16.188 1156 HE2 LYS 132 HE3 LYS 132 4.029 10.809 -16.111 1157 HE3 LYS 132 HE2 LYS 132 4.497 12.438 -16.595 1158 HZ1 LYS 132 HZ1 LYS 132 4.159 11.102 -18.531 1159 HZ2 LYS 132 HZ2 LYS 132 5.221 9.912 -17.971 1160 HZ3 LYS 132 HZ3 LYS 132 5.811 11.437 -18.398 1161 H GLY 133 H GLY 133 9.562 6.469 -13.484 1162 HA2 GLY 133 HA3 GLY 133 11.726 6.131 -12.720 1163 HA3 GLY 133 HA2 GLY 133 12.179 7.681 -13.411 1164 H VAL 134 H VAL 134 9.944 9.025 -11.981 1165 HA VAL 134 HA VAL 134 11.402 9.769 -9.655 1166 HB VAL 134 HB VAL 134 8.504 10.401 -10.230 1167 HG11 VAL 134 HG11 VAL 134 10.604 11.857 -8.627 1168 HG12 VAL 134 HG12 VAL 134 9.246 10.938 -7.976 1169 HG13 VAL 134 HG13 VAL 134 8.952 12.412 -8.902 1170 HG21 VAL 134 HG21 VAL 134 9.298 12.434 -11.344 1171 HG22 VAL 134 HG22 VAL 134 9.826 10.978 -12.187 1172 HG23 VAL 134 HG23 VAL 134 10.961 11.873 -11.176 1173 H SER 135 H SER 135 11.587 8.391 -8.014 1174 HA SER 135 HA SER 135 9.328 6.693 -7.312 1175 HB2 SER 135 HB3 SER 135 12.135 6.389 -6.317 1176 HB3 SER 135 HB2 SER 135 10.890 5.173 -6.505 1177 HG SER 135 HG SER 135 11.755 6.510 -8.793 1178 H THR 136 H THR 136 8.720 6.473 -5.175 1179 HA THR 136 HA THR 136 9.934 8.279 -3.210 1180 HB THR 136 HB THR 136 7.873 9.376 -3.933 1181 HG1 THR 136 HG1 THR 136 8.501 9.305 -1.647 1182 HG21 THR 136 HG21 THR 136 6.441 6.872 -3.047 1183 HG22 THR 136 HG22 THR 136 6.681 7.365 -4.722 1184 HG23 THR 136 HG23 THR 136 5.694 8.354 -3.647 1185 H SER 137 H SER 137 10.254 7.377 -1.236 1186 HA SER 137 HA SER 137 9.105 4.707 -0.807 1187 HB2 SER 137 HB3 SER 137 11.523 5.881 0.581 1188 HB3 SER 137 HB2 SER 137 10.952 4.217 0.662 1189 HG SER 137 HG SER 137 11.732 5.476 -1.756 1190 H ARG 138 H ARG 138 7.332 4.880 0.308 1191 HA ARG 138 HA ARG 138 6.913 6.972 2.262 1192 HB2 ARG 138 HB3 ARG 138 5.197 6.013 0.602 1193 HB3 ARG 138 HB2 ARG 138 5.115 4.624 1.671 1194 HG2 ARG 138 HG3 ARG 138 3.335 5.865 2.385 1195 HG3 ARG 138 HG2 ARG 138 4.595 6.392 3.497 1196 HD2 ARG 138 HD3 ARG 138 4.817 8.455 2.464 1197 HD3 ARG 138 HD2 ARG 138 4.111 7.884 0.951 1198 HE ARG 138 HE ARG 138 2.018 7.647 2.532 1199 HH11 ARG 138 HH11 ARG 138 4.327 10.274 2.372 1200 HH12 ARG 138 HH12 ARG 138 3.191 11.479 2.878 1201 HH21 ARG 138 HH21 ARG 138 0.510 9.239 3.172 1202 HH22 ARG 138 HH22 ARG 138 1.018 10.885 3.344 1203 H TYR 139 H TYR 139 7.285 6.733 4.413 1204 HA TYR 139 HA TYR 139 8.291 4.124 5.286 1205 HB2 TYR 139 HB3 TYR 139 8.649 6.901 6.405 1206 HB3 TYR 139 HB2 TYR 139 9.192 5.453 7.241 1207 HD1 TYR 139 HD1 TYR 139 9.847 7.787 4.543 1208 HD2 TYR 139 HD2 TYR 139 11.033 4.099 6.301 1209 HE1 TYR 139 HE1 TYR 139 11.952 7.866 3.276 1210 HE2 TYR 139 HE2 TYR 139 13.140 4.172 5.041 1211 HH TYR 139 HH TYR 139 14.034 5.182 3.015 1212 H TYR 140 H TYR 140 6.782 2.882 6.172 1213 HA TYR 140 HA TYR 140 4.995 4.104 8.163 1214 HB2 TYR 140 HB3 TYR 140 4.707 1.529 6.599 1215 HB3 TYR 140 HB2 TYR 140 3.617 2.035 7.888 1216 HD1 TYR 140 HD1 TYR 140 2.103 3.919 7.566 1217 HD2 TYR 140 HD2 TYR 140 4.638 2.567 4.430 1218 HE1 TYR 140 HE1 TYR 140 0.753 5.162 5.936 1219 HE2 TYR 140 HE2 TYR 140 3.292 3.809 2.795 1220 HH TYR 140 HH TYR 140 0.849 6.076 3.741 1221 H LYS 141 H LYS 141 4.914 3.299 10.196 1222 HA LYS 141 HA LYS 141 6.734 1.079 10.867 1223 HB2 LYS 141 HB3 LYS 141 7.049 2.011 13.027 1224 HB3 LYS 141 HB2 LYS 141 7.376 3.272 11.844 1225 HG2 LYS 141 HG3 LYS 141 5.378 4.391 12.312 1226 HG3 LYS 141 HG2 LYS 141 4.696 2.993 13.155 1227 HD2 LYS 141 HD3 LYS 141 5.450 4.731 14.702 1228 HD3 LYS 141 HD2 LYS 141 6.337 3.219 14.907 1229 HE2 LYS 141 HE3 LYS 141 8.101 4.123 13.408 1230 HE3 LYS 141 HE2 LYS 141 7.271 5.679 13.447 1231 HZ1 LYS 141 HZ1 LYS 141 8.407 4.256 15.791 1232 HZ2 LYS 141 HZ2 LYS 141 7.576 5.727 15.855 1233 HZ3 LYS 141 HZ3 LYS 141 9.060 5.628 15.048 1234 H LYS 142 H LYS 142 5.807 -0.261 12.758 1235 HA LYS 142 HA LYS 142 3.123 -0.907 12.459 1236 HB2 LYS 142 HB3 LYS 142 4.782 -2.282 13.693 1237 HB3 LYS 142 HB2 LYS 142 4.731 -1.124 15.012 1238 HG2 LYS 142 HG3 LYS 142 2.341 -1.628 15.334 1239 HG3 LYS 142 HG2 LYS 142 2.444 -2.833 14.050 1240 HD2 LYS 142 HD3 LYS 142 4.080 -4.090 15.340 1241 HD3 LYS 142 HD2 LYS 142 4.042 -2.866 16.609 1242 HE2 LYS 142 HE3 LYS 142 1.685 -3.351 17.017 1243 HE3 LYS 142 HE2 LYS 142 1.703 -4.558 15.730 1244 HZ1 LYS 142 HZ1 LYS 142 1.925 -5.570 17.913 1245 HZ2 LYS 142 HZ2 LYS 142 3.321 -4.669 18.217 1246 HZ3 LYS 142 HZ3 LYS 142 3.316 -5.829 16.989 1247 H GLN 143 H GLN 143 1.190 -0.360 13.756 1248 HA GLN 143 HA GLN 143 1.267 2.187 15.078 1249 HB2 GLN 143 HB3 GLN 143 -0.912 0.091 15.219 1250 HB3 GLN 143 HB2 GLN 143 -1.062 1.791 15.637 1251 HG2 GLN 143 HG3 GLN 143 -0.176 1.871 13.043 1252 HG3 GLN 143 HG2 GLN 143 -1.253 0.476 13.059 1253 HE21 GLN 143 HE21 GLN 143 -0.994 3.882 13.354 1254 HE22 GLN 143 HE22 GLN 143 -2.674 4.239 13.361 1255 H21 OLA1001 H21 OLA1001 0.010 6.396 -1.500 1256 H22 OLA1001 H22 OLA1001 1.413 6.587 -0.449 1257 H31 OLA1001 H31 OLA1001 0.061 8.392 0.117 1258 H32 OLA1001 H32 OLA1001 -0.296 7.204 1.369 1259 H41 OLA1001 H41 OLA1001 -2.236 6.473 -0.138 1260 H42 OLA1001 H42 OLA1001 -1.967 7.989 -0.999 1261 H51 OLA1001 H51 OLA1001 -2.145 9.133 1.264 1262 H52 OLA1001 H52 OLA1001 -2.762 7.597 1.872 1263 H61 OLA1001 H61 OLA1001 -4.707 8.727 1.347 1264 H62 OLA1001 H62 OLA1001 -4.426 7.773 -0.110 1265 H71 OLA1001 H71 OLA1001 -3.382 9.696 -1.181 1266 H72 OLA1001 H72 OLA1001 -3.640 10.652 0.279 1267 H81 OLA1001 H81 OLA1001 -6.111 10.096 -0.011 1268 H82 OLA1001 H82 OLA1001 -5.679 9.563 -1.629 1269 H9 OLA1001 H9 OLA1001 -4.684 12.263 -1.101 1270 H10 OLA1001 H10 OLA1001 -6.538 13.167 -2.268 1271 H111 OLA1001 H111 OLA1001 -8.648 11.997 -2.063 1272 H112 OLA1001 H112 OLA1001 -7.839 10.469 -1.769 1273 H121 OLA1001 H121 OLA1001 -7.730 11.914 -4.411 1274 H122 OLA1001 H122 OLA1001 -8.950 10.708 -4.012 1275 H131 OLA1001 H131 OLA1001 -7.309 9.532 -5.212 1276 H132 OLA1001 H132 OLA1001 -7.016 9.128 -3.521 1277 H141 OLA1001 H141 OLA1001 -5.301 10.986 -3.509 1278 H142 OLA1001 H142 OLA1001 -5.466 11.020 -5.266 1279 H151 OLA1001 H151 OLA1001 -4.685 8.786 -5.468 1280 H152 OLA1001 H152 OLA1001 -4.794 8.523 -3.725 1281 H161 OLA1001 H161 OLA1001 -3.075 10.291 -3.414 1282 H162 OLA1001 H162 OLA1001 -2.904 10.371 -5.167 1283 H171 OLA1001 H171 OLA1001 -2.126 8.112 -5.266 1284 H172 OLA1001 H172 OLA1001 -2.477 7.868 -3.554 1285 H181 OLA1001 H181 OLA1001 -0.796 9.637 -3.041 1286 H182 OLA1001 H182 OLA1001 -0.349 9.626 -4.757 1287 H183 OLA1001 H183 OLA1001 -0.128 8.171 -3.774 Start of MODEL 9 1 H1 MET -11 H1 MET -11 8.933 -24.034 8.143 2 H2 MET -11 H2 MET -11 8.813 -23.083 6.756 3 H3 MET -11 H3 MET -11 9.173 -24.729 6.626 4 HA MET -11 HA MET -11 6.647 -23.600 7.655 5 HB2 MET -11 HB3 MET -11 6.842 -23.255 5.255 6 HB3 MET -11 HB2 MET -11 7.294 -24.938 5.023 7 HG2 MET -11 HG3 MET -11 4.973 -24.530 4.401 8 HG3 MET -11 HG2 MET -11 5.100 -25.659 5.748 9 HE1 MET -11 HE1 MET -11 5.424 -21.706 5.769 10 HE2 MET -11 HE2 MET -11 3.757 -21.258 6.129 11 HE3 MET -11 HE3 MET -11 4.146 -22.051 4.602 12 H ARG -10 H ARG -10 5.774 -24.909 9.087 13 HA ARG -10 HA ARG -10 5.946 -27.800 8.647 14 HB2 ARG -10 HB3 ARG -10 6.216 -28.141 11.095 15 HB3 ARG -10 HB2 ARG -10 7.602 -27.368 10.342 16 HG2 ARG -10 HG3 ARG -10 6.787 -25.187 11.154 17 HG3 ARG -10 HG2 ARG -10 5.460 -26.016 11.972 18 HD2 ARG -10 HD3 ARG -10 7.365 -25.504 13.469 19 HD3 ARG -10 HD2 ARG -10 7.006 -27.225 13.363 20 HE ARG -10 HE ARG -10 8.993 -26.489 11.473 21 HH11 ARG -10 HH11 ARG -10 8.533 -27.005 14.896 22 HH12 ARG -10 HH12 ARG -10 10.153 -27.560 15.165 23 HH21 ARG -10 HH21 ARG -10 11.135 -27.218 11.814 24 HH22 ARG -10 HH22 ARG -10 11.636 -27.687 13.407 25 H GLY -9 H GLY -9 4.254 -28.997 9.807 26 HA2 GLY -9 HA3 GLY -9 2.060 -29.306 10.456 27 HA3 GLY -9 HA2 GLY -9 1.967 -27.585 10.807 28 H SER -8 H SER -8 3.092 -28.453 7.704 29 HA SER -8 HA SER -8 0.871 -27.118 6.478 30 HB2 SER -8 HB3 SER -8 2.225 -27.763 4.361 31 HB3 SER -8 HB2 SER -8 2.931 -26.606 5.491 32 HG SER -8 HG SER -8 3.518 -29.370 5.224 33 H HIS -7 H HIS -7 -0.767 -28.661 7.173 34 HA HIS -7 HA HIS -7 -0.766 -31.247 5.833 35 HB2 HIS -7 HB3 HIS -7 -2.724 -29.957 7.743 36 HB3 HIS -7 HB2 HIS -7 -2.972 -31.539 7.016 37 HD1 HIS -7 HD1 HIS -7 -1.488 -29.921 9.904 38 HD2 HIS -7 HD2 HIS -7 -0.876 -33.451 7.793 39 HE1 HIS -7 HE1 HIS -7 -0.140 -31.397 11.429 40 HE2 HIS -7 HE2 HIS -7 0.061 -33.586 10.199 41 H HIS -6 H HIS -6 -0.818 -28.872 4.220 42 HA HIS -6 HA HIS -6 -3.545 -28.665 3.232 43 HB2 HIS -6 HB3 HIS -6 -1.005 -27.266 2.366 44 HB3 HIS -6 HB2 HIS -6 -2.587 -26.984 1.651 45 HD1 HIS -6 HD1 HIS -6 -4.232 -25.517 2.959 46 HD2 HIS -6 HD2 HIS -6 -0.651 -26.199 4.956 47 HE1 HIS -6 HE1 HIS -6 -4.201 -23.884 4.871 48 HE2 HIS -6 HE2 HIS -6 -1.983 -24.252 6.008 49 H HIS -5 H HIS -5 -3.815 -30.780 2.441 50 HA HIS -5 HA HIS -5 -2.010 -31.792 0.427 51 HB2 HIS -5 HB3 HIS -5 -4.592 -32.856 1.538 52 HB3 HIS -5 HB2 HIS -5 -3.686 -33.644 0.252 53 HD1 HIS -5 HD1 HIS -5 -1.469 -34.795 0.877 54 HD2 HIS -5 HD2 HIS -5 -3.460 -33.077 4.097 55 HE1 HIS -5 HE1 HIS -5 -0.341 -35.700 2.929 56 HE2 HIS -5 HE2 HIS -5 -1.674 -34.788 4.862 57 H HIS -4 H HIS -4 -4.593 -29.676 0.481 58 HA HIS -4 HA HIS -4 -5.605 -30.159 -2.152 59 HB2 HIS -4 HB3 HIS -4 -6.875 -28.945 -0.372 60 HB3 HIS -4 HB2 HIS -4 -5.721 -27.624 -0.490 61 HD1 HIS -4 HD1 HIS -4 -8.631 -29.176 -2.236 62 HD2 HIS -4 HD2 HIS -4 -6.028 -25.973 -2.745 63 HE1 HIS -4 HE1 HIS -4 -9.646 -27.758 -4.050 64 HE2 HIS -4 HE2 HIS -4 -7.989 -25.900 -4.429 65 H HIS -3 H HIS -3 -2.785 -28.886 -0.883 66 HA HIS -3 HA HIS -3 -0.925 -27.937 -1.734 67 HB2 HIS -3 HB3 HIS -3 -1.359 -29.423 -3.707 68 HB3 HIS -3 HB2 HIS -3 -2.244 -28.095 -4.450 69 HD1 HIS -3 HD1 HIS -3 1.139 -29.431 -3.956 70 HD2 HIS -3 HD2 HIS -3 -0.578 -25.839 -5.150 71 HE1 HIS -3 HE1 HIS -3 2.998 -28.112 -5.019 72 HE2 HIS -3 HE2 HIS -3 1.930 -25.958 -5.773 73 H HIS -2 H HIS -2 -0.535 -25.907 -1.228 74 HA HIS -2 HA HIS -2 -2.484 -23.856 -1.710 75 HB2 HIS -2 HB3 HIS -2 -0.583 -24.159 0.198 76 HB3 HIS -2 HB2 HIS -2 0.265 -23.069 -0.901 77 HD1 HIS -2 HD1 HIS -2 -0.464 -22.047 1.850 78 HD2 HIS -2 HD2 HIS -2 -2.923 -21.634 -1.464 79 HE1 HIS -2 HE1 HIS -2 -1.954 -20.088 2.354 80 HE2 HIS -2 HE2 HIS -2 -3.269 -19.719 0.236 81 H GLY -1 H GLY -1 -2.714 -23.557 -3.904 82 HA2 GLY -1 HA3 GLY -1 -0.616 -23.222 -5.757 83 HA3 GLY -1 HA2 GLY -1 -2.248 -22.582 -5.938 84 H SER 0 H SER 0 -2.363 -20.923 -3.738 85 HA SER 0 HA SER 0 -0.606 -18.746 -4.423 86 HB2 SER 0 HB3 SER 0 -2.667 -19.063 -2.227 87 HB3 SER 0 HB2 SER 0 -1.787 -17.573 -2.565 88 HG SER 0 HG SER 0 -2.883 -17.309 -4.409 89 H LYS 1 H LYS 1 0.849 -17.764 -2.921 90 HA LYS 1 HA LYS 1 1.947 -19.637 -0.954 91 HB2 LYS 1 HB3 LYS 1 2.992 -16.996 -2.017 92 HB3 LYS 1 HB2 LYS 1 3.820 -17.981 -0.820 93 HG2 LYS 1 HG3 LYS 1 4.168 -19.736 -2.390 94 HG3 LYS 1 HG2 LYS 1 3.121 -18.956 -3.576 95 HD2 LYS 1 HD3 LYS 1 5.689 -17.770 -2.533 96 HD3 LYS 1 HD2 LYS 1 5.553 -18.685 -4.036 97 HE2 LYS 1 HE3 LYS 1 4.081 -16.130 -3.389 98 HE3 LYS 1 HE2 LYS 1 5.492 -16.266 -4.434 99 HZ1 LYS 1 HZ1 LYS 1 3.443 -16.185 -5.709 100 HZ2 LYS 1 HZ2 LYS 1 2.868 -17.567 -4.922 101 HZ3 LYS 1 HZ3 LYS 1 4.222 -17.667 -5.924 102 H THR 2 H THR 2 2.464 -18.808 1.193 103 HA THR 2 HA THR 2 0.328 -17.155 2.224 104 HB THR 2 HB THR 2 1.923 -17.813 4.355 105 HG1 THR 2 HG1 THR 2 3.247 -19.277 3.539 106 HG21 THR 2 HG21 THR 2 -0.303 -19.460 3.165 107 HG22 THR 2 HG22 THR 2 -0.523 -18.035 4.180 108 HG23 THR 2 HG23 THR 2 0.224 -19.489 4.848 109 H LEU 3 H LEU 3 0.530 -15.119 2.855 110 HA LEU 3 HA LEU 3 2.763 -13.548 2.289 111 HB2 LEU 3 HB3 LEU 3 0.163 -13.162 3.458 112 HB3 LEU 3 HB2 LEU 3 1.366 -12.236 4.332 113 HG LEU 3 HG LEU 3 0.542 -11.983 1.454 114 HD11 LEU 3 HD11 LEU 3 0.778 -10.089 3.775 115 HD12 LEU 3 HD12 LEU 3 -0.710 -10.681 3.030 116 HD13 LEU 3 HD13 LEU 3 0.367 -9.609 2.132 117 HD21 LEU 3 HD21 LEU 3 2.387 -10.319 1.238 118 HD22 LEU 3 HD22 LEU 3 2.929 -11.989 1.327 119 HD23 LEU 3 HD23 LEU 3 3.058 -10.944 2.742 120 HA PRO 4 HA PRO 4 5.467 -14.376 5.807 121 HB2 PRO 4 HB3 PRO 4 6.611 -11.815 4.820 122 HB3 PRO 4 HB2 PRO 4 7.422 -13.345 5.168 123 HG2 PRO 4 HG3 PRO 4 7.004 -12.552 2.655 124 HG3 PRO 4 HG2 PRO 4 6.871 -14.258 3.116 125 HD2 PRO 4 HD3 PRO 4 4.709 -12.269 2.564 126 HD3 PRO 4 HD2 PRO 4 4.775 -14.004 2.191 127 H ASP 5 H ASP 5 5.200 -13.684 7.864 128 HA ASP 5 HA ASP 5 3.163 -11.858 8.462 129 HB2 ASP 5 HB3 ASP 5 3.609 -12.270 10.759 130 HB3 ASP 5 HB2 ASP 5 3.934 -13.777 9.914 131 H LYS 6 H LYS 6 6.510 -11.319 7.876 132 HA LYS 6 HA LYS 6 6.848 -8.912 9.263 133 HB2 LYS 6 HB3 LYS 6 8.115 -9.982 6.753 134 HB3 LYS 6 HB2 LYS 6 8.554 -8.416 7.419 135 HG2 LYS 6 HG3 LYS 6 8.810 -11.070 8.817 136 HG3 LYS 6 HG2 LYS 6 10.124 -10.131 8.110 137 HD2 LYS 6 HD3 LYS 6 9.533 -8.276 9.677 138 HD3 LYS 6 HD2 LYS 6 8.384 -9.367 10.451 139 HE2 LYS 6 HE3 LYS 6 10.407 -9.387 11.725 140 HE3 LYS 6 HE2 LYS 6 10.261 -10.931 10.893 141 HZ1 LYS 6 HZ1 LYS 6 11.962 -8.655 10.030 142 HZ2 LYS 6 HZ2 LYS 6 11.818 -10.133 9.222 143 HZ3 LYS 6 HZ3 LYS 6 12.508 -10.077 10.762 144 H PHE 7 H PHE 7 5.057 -9.595 6.321 145 HA PHE 7 HA PHE 7 4.873 -6.747 5.716 146 HB2 PHE 7 HB3 PHE 7 3.741 -9.175 4.307 147 HB3 PHE 7 HB2 PHE 7 3.485 -7.517 3.781 148 HD1 PHE 7 HD1 PHE 7 5.883 -6.177 3.704 149 HD2 PHE 7 HD2 PHE 7 5.255 -10.338 3.059 150 HE1 PHE 7 HE1 PHE 7 7.940 -6.278 2.359 151 HE2 PHE 7 HE2 PHE 7 7.317 -10.445 1.723 152 HZ PHE 7 HZ PHE 7 8.659 -8.413 1.370 153 H LEU 8 H LEU 8 3.448 -8.867 7.782 154 HA LEU 8 HA LEU 8 0.725 -7.904 7.362 155 HB2 LEU 8 HB3 LEU 8 1.788 -10.163 9.054 156 HB3 LEU 8 HB2 LEU 8 0.096 -9.716 8.933 157 HG LEU 8 HG LEU 8 1.800 -10.677 6.633 158 HD11 LEU 8 HD11 LEU 8 1.348 -12.428 8.294 159 HD12 LEU 8 HD12 LEU 8 0.538 -12.724 6.757 160 HD13 LEU 8 HD13 LEU 8 -0.379 -12.113 8.133 161 HD21 LEU 8 HD21 LEU 8 -0.423 -10.873 5.509 162 HD22 LEU 8 HD22 LEU 8 0.109 -9.223 5.824 163 HD23 LEU 8 HD23 LEU 8 -1.114 -9.962 6.854 164 H GLY 9 H GLY 9 -0.526 -7.222 9.139 165 HA2 GLY 9 HA3 GLY 9 -0.555 -6.624 11.541 166 HA3 GLY 9 HA2 GLY 9 1.074 -6.006 11.302 167 H THR 10 H THR 10 -0.697 -4.319 12.393 168 HA THR 10 HA THR 10 -1.630 -2.595 10.231 169 HB THR 10 HB THR 10 -1.993 -2.136 13.190 170 HG1 THR 10 HG1 THR 10 -4.139 -3.119 12.706 171 HG21 THR 10 HG21 THR 10 -3.569 -1.244 10.777 172 HG22 THR 10 HG22 THR 10 -2.439 -0.245 11.690 173 HG23 THR 10 HG23 THR 10 -3.916 -0.831 12.455 174 H PHE 11 H PHE 11 -0.450 -0.923 9.600 175 HA PHE 11 HA PHE 11 1.859 -0.130 11.258 176 HB2 PHE 11 HB3 PHE 11 1.521 0.060 8.255 177 HB3 PHE 11 HB2 PHE 11 2.977 0.447 9.162 178 HD1 PHE 11 HD1 PHE 11 4.236 -1.391 10.290 179 HD2 PHE 11 HD2 PHE 11 1.033 -2.146 7.592 180 HE1 PHE 11 HE1 PHE 11 5.025 -3.705 10.002 181 HE2 PHE 11 HE2 PHE 11 1.813 -4.459 7.305 182 HZ PHE 11 HZ PHE 11 3.811 -5.242 8.510 183 H LYS 12 H LYS 12 1.974 2.001 11.964 184 HA LYS 12 HA LYS 12 0.209 3.944 10.674 185 HB2 LYS 12 HB3 LYS 12 0.918 5.486 12.421 186 HB3 LYS 12 HB2 LYS 12 0.374 3.969 13.120 187 HG2 LYS 12 HG3 LYS 12 2.636 3.281 13.510 188 HG3 LYS 12 HG2 LYS 12 3.246 4.701 12.664 189 HD2 LYS 12 HD3 LYS 12 3.410 5.120 15.010 190 HD3 LYS 12 HD2 LYS 12 2.104 6.116 14.368 191 HE2 LYS 12 HE3 LYS 12 0.464 4.504 15.168 192 HE3 LYS 12 HE2 LYS 12 1.758 3.475 15.778 193 HZ1 LYS 12 HZ1 LYS 12 1.205 6.238 16.706 194 HZ2 LYS 12 HZ2 LYS 12 2.381 5.192 17.325 195 HZ3 LYS 12 HZ3 LYS 12 0.741 4.831 17.518 196 H LEU 13 H LEU 13 2.038 6.217 11.105 197 HA LEU 13 HA LEU 13 3.920 5.724 8.910 198 HB2 LEU 13 HB3 LEU 13 1.686 6.657 8.094 199 HB3 LEU 13 HB2 LEU 13 2.062 8.108 8.995 200 HG LEU 13 HG LEU 13 3.814 7.056 6.767 201 HD11 LEU 13 HD11 LEU 13 1.591 7.571 5.897 202 HD12 LEU 13 HD12 LEU 13 2.785 8.749 5.353 203 HD13 LEU 13 HD13 LEU 13 1.664 9.164 6.647 204 HD21 LEU 13 HD21 LEU 13 4.925 8.584 8.317 205 HD22 LEU 13 HD22 LEU 13 3.633 9.761 8.090 206 HD23 LEU 13 HD23 LEU 13 4.686 9.338 6.739 207 H GLU 14 H GLU 14 5.896 6.534 9.462 208 HA GLU 14 HA GLU 14 5.988 8.399 11.712 209 HB2 GLU 14 HB3 GLU 14 7.310 6.291 11.820 210 HB3 GLU 14 HB2 GLU 14 8.247 6.848 10.442 211 HG2 GLU 14 HG3 GLU 14 9.027 8.762 11.727 212 HG3 GLU 14 HG2 GLU 14 8.068 8.233 13.107 213 H ARG 15 H ARG 15 7.438 7.983 8.465 214 HA ARG 15 HA ARG 15 7.511 10.876 8.183 215 HB2 ARG 15 HB3 ARG 15 9.854 11.010 7.651 216 HB3 ARG 15 HB2 ARG 15 9.677 10.282 9.241 217 HG2 ARG 15 HG3 ARG 15 10.120 8.097 8.351 218 HG3 ARG 15 HG2 ARG 15 10.132 8.733 6.704 219 HD2 ARG 15 HD3 ARG 15 12.058 9.462 8.899 220 HD3 ARG 15 HD2 ARG 15 12.396 8.387 7.546 221 HE ARG 15 HE ARG 15 12.048 10.368 6.087 222 HH11 ARG 15 HH11 ARG 15 12.891 10.825 9.462 223 HH12 ARG 15 HH12 ARG 15 13.606 12.383 9.200 224 HH21 ARG 15 HH21 ARG 15 12.988 12.431 5.748 225 HH22 ARG 15 HH22 ARG 15 13.662 13.296 7.093 226 H ASP 16 H ASP 16 8.900 11.195 5.913 227 HA ASP 16 HA ASP 16 7.737 9.410 3.921 228 HB2 ASP 16 HB3 ASP 16 5.977 11.071 4.464 229 HB3 ASP 16 HB2 ASP 16 7.100 12.372 4.086 230 H GLU 17 H GLU 17 8.487 10.141 1.647 231 HA GLU 17 HA GLU 17 10.770 11.890 1.566 232 HB2 GLU 17 HB3 GLU 17 11.716 9.770 2.491 233 HB3 GLU 17 HB2 GLU 17 11.210 8.950 1.020 234 HG2 GLU 17 HG3 GLU 17 12.642 10.529 -0.268 235 HG3 GLU 17 HG2 GLU 17 13.236 11.154 1.269 236 H ASN 18 H ASN 18 10.330 12.981 -0.246 237 HA ASN 18 HA ASN 18 10.304 13.443 -2.473 238 HB2 ASN 18 HB3 ASN 18 11.848 11.273 -2.381 239 HB3 ASN 18 HB2 ASN 18 10.505 10.584 -3.284 240 HD21 ASN 18 HD21 ASN 18 10.029 11.399 -5.343 241 HD22 ASN 18 HD22 ASN 18 11.181 12.336 -6.232 242 H PHE 19 H PHE 19 7.906 12.667 -0.979 243 HA PHE 19 HA PHE 19 6.253 11.105 -2.735 244 HB2 PHE 19 HB3 PHE 19 6.051 11.286 -0.191 245 HB3 PHE 19 HB2 PHE 19 5.232 12.816 -0.485 246 HD1 PHE 19 HD1 PHE 19 5.092 9.390 -1.959 247 HD2 PHE 19 HD2 PHE 19 2.969 12.673 -0.293 248 HE1 PHE 19 HE1 PHE 19 2.977 8.176 -2.276 249 HE2 PHE 19 HE2 PHE 19 0.848 11.468 -0.604 250 HZ PHE 19 HZ PHE 19 0.852 9.214 -1.597 251 H ASP 20 H ASP 20 6.599 14.559 -2.025 252 HA ASP 20 HA ASP 20 4.392 15.482 -3.444 253 HB2 ASP 20 HB3 ASP 20 5.425 17.638 -3.459 254 HB3 ASP 20 HB2 ASP 20 5.879 16.864 -1.948 255 H GLU 21 H GLU 21 7.724 14.994 -4.584 256 HA GLU 21 HA GLU 21 7.259 15.731 -7.242 257 HB2 GLU 21 HB3 GLU 21 9.298 13.815 -6.112 258 HB3 GLU 21 HB2 GLU 21 9.313 14.429 -7.762 259 HG2 GLU 21 HG3 GLU 21 9.459 16.721 -6.863 260 HG3 GLU 21 HG2 GLU 21 9.570 16.039 -5.244 261 H TYR 22 H TYR 22 6.927 12.578 -5.632 262 HA TYR 22 HA TYR 22 6.266 11.085 -7.904 263 HB2 TYR 22 HB3 TYR 22 6.647 9.979 -5.791 264 HB3 TYR 22 HB2 TYR 22 5.287 10.823 -5.056 265 HD1 TYR 22 HD1 TYR 22 3.117 9.910 -5.153 266 HD2 TYR 22 HD2 TYR 22 6.167 8.339 -7.669 267 HE1 TYR 22 HE1 TYR 22 1.631 8.055 -5.786 268 HE2 TYR 22 HE2 TYR 22 4.691 6.482 -8.308 269 HH TYR 22 HH TYR 22 1.328 6.420 -7.501 270 H LEU 23 H LEU 23 4.309 13.226 -5.890 271 HA LEU 23 HA LEU 23 1.819 12.516 -7.075 272 HB2 LEU 23 HB3 LEU 23 2.620 15.009 -5.571 273 HB3 LEU 23 HB2 LEU 23 0.976 14.586 -6.004 274 HG LEU 23 HG LEU 23 2.766 13.034 -4.133 275 HD11 LEU 23 HD11 LEU 23 1.942 15.144 -3.204 276 HD12 LEU 23 HD12 LEU 23 1.216 13.748 -2.409 277 HD13 LEU 23 HD13 LEU 23 0.292 14.665 -3.597 278 HD21 LEU 23 HD21 LEU 23 1.305 11.536 -5.348 279 HD22 LEU 23 HD22 LEU 23 -0.087 12.556 -4.981 280 HD23 LEU 23 HD23 LEU 23 0.748 11.702 -3.683 281 H LYS 24 H LYS 24 4.233 14.991 -7.703 282 HA LYS 24 HA LYS 24 2.805 16.458 -9.647 283 HB2 LYS 24 HB3 LYS 24 5.791 16.027 -9.395 284 HB3 LYS 24 HB2 LYS 24 5.015 17.282 -10.347 285 HG2 LYS 24 HG3 LYS 24 4.173 18.349 -8.378 286 HG3 LYS 24 HG2 LYS 24 4.730 17.018 -7.366 287 HD2 LYS 24 HD3 LYS 24 6.336 18.688 -7.057 288 HD3 LYS 24 HD2 LYS 24 7.076 17.590 -8.219 289 HE2 LYS 24 HE3 LYS 24 5.580 20.067 -9.042 290 HE3 LYS 24 HE2 LYS 24 7.302 20.078 -8.681 291 HZ1 LYS 24 HZ1 LYS 24 7.573 18.370 -10.429 292 HZ2 LYS 24 HZ2 LYS 24 7.012 19.848 -11.013 293 HZ3 LYS 24 HZ3 LYS 24 5.942 18.558 -10.837 294 H ALA 25 H ALA 25 5.171 13.857 -9.914 295 HA ALA 25 HA ALA 25 5.074 13.458 -12.679 296 HB1 ALA 25 HB1 ALA 25 5.924 11.194 -12.189 297 HB2 ALA 25 HB2 ALA 25 5.586 11.462 -10.480 298 HB3 ALA 25 HB3 ALA 25 6.786 12.453 -11.307 299 H ARG 26 H ARG 26 3.057 12.168 -10.106 300 HA ARG 26 HA ARG 26 1.596 10.318 -11.682 301 HB2 ARG 26 HB3 ARG 26 1.257 11.535 -8.990 302 HB3 ARG 26 HB2 ARG 26 -0.135 10.747 -9.717 303 HG2 ARG 26 HG3 ARG 26 2.542 9.424 -9.357 304 HG3 ARG 26 HG2 ARG 26 1.212 9.301 -8.203 305 HD2 ARG 26 HD3 ARG 26 1.212 8.385 -11.077 306 HD3 ARG 26 HD2 ARG 26 1.208 7.364 -9.640 307 HE ARG 26 HE ARG 26 -1.018 8.892 -9.353 308 HH11 ARG 26 HH11 ARG 26 0.168 6.779 -11.877 309 HH12 ARG 26 HH12 ARG 26 -1.411 6.390 -12.465 310 HH21 ARG 26 HH21 ARG 26 -3.093 8.397 -10.130 311 HH22 ARG 26 HH22 ARG 26 -3.278 7.332 -11.492 312 H GLY 27 H GLY 27 1.478 13.702 -11.559 313 HA2 GLY 27 HA3 GLY 27 0.226 14.972 -13.102 314 HA3 GLY 27 HA2 GLY 27 -0.922 13.648 -13.224 315 H TYR 28 H TYR 28 0.049 14.565 -10.052 316 HA TYR 28 HA TYR 28 -2.611 15.645 -9.562 317 HB2 TYR 28 HB3 TYR 28 -0.342 14.922 -7.705 318 HB3 TYR 28 HB2 TYR 28 -1.840 15.665 -7.157 319 HD1 TYR 28 HD1 TYR 28 -0.174 12.619 -7.663 320 HD2 TYR 28 HD2 TYR 28 -4.032 14.391 -7.918 321 HE1 TYR 28 HE1 TYR 28 -1.199 10.391 -7.500 322 HE2 TYR 28 HE2 TYR 28 -5.072 12.172 -7.756 323 HH TYR 28 HH TYR 28 -3.344 9.409 -6.802 324 H GLY 29 H GLY 29 -3.026 17.734 -9.478 325 HA2 GLY 29 HA3 GLY 29 -0.928 19.660 -9.836 326 HA3 GLY 29 HA2 GLY 29 -2.644 20.002 -9.677 327 H TRP 30 H TRP 30 -1.585 21.810 -8.408 328 HA TRP 30 HA TRP 30 -0.189 21.439 -6.048 329 HB2 TRP 30 HB3 TRP 30 -0.304 23.633 -6.961 330 HB3 TRP 30 HB2 TRP 30 -2.065 23.640 -6.910 331 HD1 TRP 30 HD1 TRP 30 0.984 23.975 -4.598 332 HE1 TRP 30 HE1 TRP 30 0.214 25.050 -2.387 333 HE3 TRP 30 HE3 TRP 30 -4.047 24.054 -5.449 334 HZ2 TRP 30 HZ2 TRP 30 -2.220 25.809 -1.179 335 HZ3 TRP 30 HZ3 TRP 30 -5.526 24.971 -3.719 336 HH2 TRP 30 HH2 TRP 30 -4.623 25.831 -1.626 337 H ILE 31 H ILE 31 -3.716 21.540 -6.511 338 HA ILE 31 HA ILE 31 -4.437 21.715 -3.805 339 HB ILE 31 HB ILE 31 -5.973 20.335 -6.008 340 HG12 ILE 31 HG13 ILE 31 -7.343 22.495 -5.868 341 HG13 ILE 31 HG12 ILE 31 -5.952 23.175 -5.027 342 HG21 ILE 31 HG21 ILE 31 -6.822 19.553 -3.959 343 HG22 ILE 31 HG22 ILE 31 -7.940 20.801 -4.519 344 HG23 ILE 31 HG23 ILE 31 -6.780 21.167 -3.241 345 HD11 ILE 31 HD11 ILE 31 -4.561 22.861 -6.900 346 HD12 ILE 31 HD12 ILE 31 -6.050 23.599 -7.491 347 HD13 ILE 31 HD13 ILE 31 -5.766 21.868 -7.711 348 H MET 32 H MET 32 -4.288 18.911 -5.938 349 HA MET 32 HA MET 32 -4.895 17.100 -3.916 350 HB2 MET 32 HB3 MET 32 -3.745 16.782 -6.668 351 HB3 MET 32 HB2 MET 32 -4.056 15.401 -5.621 352 HG2 MET 32 HG3 MET 32 -6.348 17.035 -5.599 353 HG3 MET 32 HG2 MET 32 -5.879 16.811 -7.279 354 HE1 MET 32 HE1 MET 32 -5.400 14.755 -4.149 355 HE2 MET 32 HE2 MET 32 -6.503 13.390 -4.306 356 HE3 MET 32 HE3 MET 32 -7.136 15.000 -3.947 357 H ARG 33 H ARG 33 -1.915 18.419 -5.101 358 HA ARG 33 HA ARG 33 -0.176 16.560 -3.843 359 HB2 ARG 33 HB3 ARG 33 0.442 18.053 -5.740 360 HB3 ARG 33 HB2 ARG 33 0.368 19.423 -4.640 361 HG2 ARG 33 HG3 ARG 33 2.235 18.697 -3.438 362 HG3 ARG 33 HG2 ARG 33 2.177 17.082 -4.149 363 HD2 ARG 33 HD3 ARG 33 3.969 18.354 -5.155 364 HD3 ARG 33 HD2 ARG 33 2.703 18.058 -6.344 365 HE ARG 33 HE ARG 33 3.018 20.626 -4.918 366 HH11 ARG 33 HH11 ARG 33 2.295 18.804 -7.824 367 HH12 ARG 33 HH12 ARG 33 2.108 20.216 -8.810 368 HH21 ARG 33 HH21 ARG 33 2.746 22.480 -6.205 369 HH22 ARG 33 HH22 ARG 33 2.359 22.307 -7.891 370 H GLN 34 H GLN 34 -1.976 19.286 -2.777 371 HA GLN 34 HA GLN 34 -0.532 19.598 -0.291 372 HB2 GLN 34 HB3 GLN 34 -3.120 20.743 -1.330 373 HB3 GLN 34 HB2 GLN 34 -2.508 21.084 0.283 374 HG2 GLN 34 HG3 GLN 34 -1.188 21.776 -2.330 375 HG3 GLN 34 HG2 GLN 34 -1.961 22.887 -1.207 376 HE21 GLN 34 HE21 GLN 34 0.827 20.920 -1.819 377 HE22 GLN 34 HE22 GLN 34 1.818 21.574 -0.565 378 H VAL 35 H VAL 35 -3.288 17.804 -1.484 379 HA VAL 35 HA VAL 35 -4.287 17.208 1.158 380 HB VAL 35 HB VAL 35 -5.053 16.073 -1.543 381 HG11 VAL 35 HG11 VAL 35 -5.678 14.633 0.359 382 HG12 VAL 35 HG12 VAL 35 -7.074 15.286 -0.501 383 HG13 VAL 35 HG13 VAL 35 -6.585 15.982 1.047 384 HG21 VAL 35 HG21 VAL 35 -6.313 18.294 0.057 385 HG22 VAL 35 HG22 VAL 35 -6.968 17.600 -1.427 386 HG23 VAL 35 HG23 VAL 35 -5.432 18.465 -1.461 387 H ILE 36 H ILE 36 -3.334 15.150 -1.551 388 HA ILE 36 HA ILE 36 -3.154 12.719 -0.318 389 HB ILE 36 HB ILE 36 -1.344 13.612 -2.537 390 HG12 ILE 36 HG13 ILE 36 -4.194 12.608 -2.707 391 HG13 ILE 36 HG12 ILE 36 -3.746 14.303 -2.854 392 HG21 ILE 36 HG21 ILE 36 -2.621 10.987 -1.801 393 HG22 ILE 36 HG22 ILE 36 -0.911 11.397 -1.636 394 HG23 ILE 36 HG23 ILE 36 -1.640 11.281 -3.238 395 HD11 ILE 36 HD11 ILE 36 -2.987 12.062 -4.697 396 HD12 ILE 36 HD12 ILE 36 -2.360 13.706 -4.811 397 HD13 ILE 36 HD13 ILE 36 -4.087 13.406 -5.025 398 H LYS 37 H LYS 37 -0.630 15.207 -0.442 399 HA LYS 37 HA LYS 37 1.419 13.448 0.485 400 HB2 LYS 37 HB3 LYS 37 1.872 15.309 -1.039 401 HB3 LYS 37 HB2 LYS 37 1.338 16.450 0.185 402 HG2 LYS 37 HG3 LYS 37 3.169 15.743 1.620 403 HG3 LYS 37 HG2 LYS 37 3.736 14.645 0.363 404 HD2 LYS 37 HD3 LYS 37 5.052 16.598 0.142 405 HD3 LYS 37 HD2 LYS 37 3.856 16.679 -1.153 406 HE2 LYS 37 HE3 LYS 37 3.903 18.841 -0.237 407 HE3 LYS 37 HE2 LYS 37 2.463 18.091 0.441 408 HZ1 LYS 37 HZ1 LYS 37 3.723 17.605 2.458 409 HZ2 LYS 37 HZ2 LYS 37 3.694 19.264 2.135 410 HZ3 LYS 37 HZ3 LYS 37 5.084 18.364 1.808 411 H LEU 38 H LEU 38 -0.978 15.362 1.979 412 HA LEU 38 HA LEU 38 0.518 15.421 4.516 413 HB2 LEU 38 HB3 LEU 38 -1.760 17.099 3.503 414 HB3 LEU 38 HB2 LEU 38 -1.391 17.009 5.212 415 HG LEU 38 HG LEU 38 -0.389 18.995 4.344 416 HD11 LEU 38 HD11 LEU 38 1.785 16.937 4.660 417 HD12 LEU 38 HD12 LEU 38 0.911 17.699 5.987 418 HD13 LEU 38 HD13 LEU 38 1.921 18.675 4.922 419 HD21 LEU 38 HD21 LEU 38 1.001 17.264 2.308 420 HD22 LEU 38 HD22 LEU 38 1.209 19.003 2.517 421 HD23 LEU 38 HD23 LEU 38 -0.343 18.357 1.981 422 H ALA 39 H ALA 39 -1.625 13.600 2.922 423 HA ALA 39 HA ALA 39 -3.516 13.033 4.988 424 HB1 ALA 39 HB1 ALA 39 -2.848 11.484 2.488 425 HB2 ALA 39 HB2 ALA 39 -4.077 12.740 2.624 426 HB3 ALA 39 HB3 ALA 39 -4.257 11.231 3.518 427 H GLY 40 H GLY 40 -3.079 11.908 6.752 428 HA2 GLY 40 HA3 GLY 40 -0.785 10.241 7.047 429 HA3 GLY 40 HA2 GLY 40 -2.141 10.352 8.165 430 H VAL 41 H VAL 41 -0.600 8.053 6.856 431 HA VAL 41 HA VAL 41 -2.944 6.685 5.726 432 HB VAL 41 HB VAL 41 -0.086 6.393 4.791 433 HG11 VAL 41 HG11 VAL 41 -1.266 4.273 4.693 434 HG12 VAL 41 HG12 VAL 41 -1.015 4.914 3.069 435 HG13 VAL 41 HG13 VAL 41 -2.602 5.037 3.831 436 HG21 VAL 41 HG21 VAL 41 -2.474 7.492 3.322 437 HG22 VAL 41 HG22 VAL 41 -0.811 7.406 2.743 438 HG23 VAL 41 HG23 VAL 41 -1.223 8.475 4.081 439 H THR 42 H THR 42 -3.508 4.939 6.750 440 HA THR 42 HA THR 42 -1.545 3.583 8.468 441 HB THR 42 HB THR 42 -4.572 3.457 8.544 442 HG1 THR 42 HG1 THR 42 -2.835 5.264 9.499 443 HG21 THR 42 HG21 THR 42 -4.266 2.276 10.662 444 HG22 THR 42 HG22 THR 42 -2.516 2.346 10.465 445 HG23 THR 42 HG23 THR 42 -3.492 1.393 9.347 446 H LYS 43 H LYS 43 -0.625 1.959 7.416 447 HA LYS 43 HA LYS 43 -2.033 0.505 5.327 448 HB2 LYS 43 HB3 LYS 43 0.626 1.224 5.793 449 HB3 LYS 43 HB2 LYS 43 0.591 -0.502 6.114 450 HG2 LYS 43 HG3 LYS 43 1.213 -0.137 3.833 451 HG3 LYS 43 HG2 LYS 43 -0.397 -0.856 3.875 452 HD2 LYS 43 HD3 LYS 43 -1.431 1.237 3.406 453 HD3 LYS 43 HD2 LYS 43 0.081 2.103 3.642 454 HE2 LYS 43 HE3 LYS 43 1.029 1.047 1.674 455 HE3 LYS 43 HE2 LYS 43 -0.437 0.088 1.464 456 HZ1 LYS 43 HZ1 LYS 43 -0.466 1.959 -0.023 457 HZ2 LYS 43 HZ2 LYS 43 -0.218 3.048 1.245 458 HZ3 LYS 43 HZ3 LYS 43 -1.666 2.170 1.150 459 H LYS 44 H LYS 44 -3.214 -1.315 5.845 460 HA LYS 44 HA LYS 44 -2.373 -2.739 8.275 461 HB2 LYS 44 HB3 LYS 44 -4.513 -1.444 8.522 462 HB3 LYS 44 HB2 LYS 44 -5.214 -2.495 7.298 463 HG2 LYS 44 HG3 LYS 44 -4.737 -4.438 8.736 464 HG3 LYS 44 HG2 LYS 44 -4.131 -3.341 9.974 465 HD2 LYS 44 HD3 LYS 44 -6.231 -3.317 10.747 466 HD3 LYS 44 HD2 LYS 44 -6.569 -2.264 9.369 467 HE2 LYS 44 HE3 LYS 44 -6.758 -5.264 9.230 468 HE3 LYS 44 HE2 LYS 44 -8.121 -4.240 9.672 469 HZ1 LYS 44 HZ1 LYS 44 -8.079 -3.207 7.554 470 HZ2 LYS 44 HZ2 LYS 44 -8.023 -4.887 7.282 471 HZ3 LYS 44 HZ3 LYS 44 -6.617 -3.956 7.134 472 H PHE 45 H PHE 45 -1.705 -4.695 7.884 473 HA PHE 45 HA PHE 45 -3.007 -6.275 5.755 474 HB2 PHE 45 HB3 PHE 45 -0.143 -6.308 6.712 475 HB3 PHE 45 HB2 PHE 45 -0.839 -7.588 5.734 476 HD1 PHE 45 HD1 PHE 45 -0.018 -3.988 5.774 477 HD2 PHE 45 HD2 PHE 45 -0.956 -7.394 3.398 478 HE1 PHE 45 HE1 PHE 45 0.536 -2.720 3.744 479 HE2 PHE 45 HE2 PHE 45 -0.398 -6.130 1.362 480 HZ PHE 45 HZ PHE 45 0.464 -3.861 1.525 481 H ARG 46 H ARG 46 -3.559 -8.403 6.300 482 HA ARG 46 HA ARG 46 -2.610 -9.837 8.502 483 HB2 ARG 46 HB3 ARG 46 -4.630 -9.795 9.966 484 HB3 ARG 46 HB2 ARG 46 -3.732 -8.286 9.955 485 HG2 ARG 46 HG3 ARG 46 -5.370 -7.334 8.401 486 HG3 ARG 46 HG2 ARG 46 -6.273 -8.848 8.441 487 HD2 ARG 46 HD3 ARG 46 -7.235 -7.167 9.943 488 HD3 ARG 46 HD2 ARG 46 -6.662 -8.583 10.818 489 HE ARG 46 HE ARG 46 -4.668 -6.558 10.716 490 HH11 ARG 46 HH11 ARG 46 -7.651 -7.439 12.317 491 HH12 ARG 46 HH12 ARG 46 -7.262 -6.603 13.786 492 HH21 ARG 46 HH21 ARG 46 -4.159 -5.421 12.652 493 HH22 ARG 46 HH22 ARG 46 -5.283 -5.454 13.975 494 H ASN 47 H ASN 47 -4.356 -11.583 9.110 495 HA ASN 47 HA ASN 47 -5.073 -13.011 6.767 496 HB2 ASN 47 HB3 ASN 47 -5.770 -13.304 9.672 497 HB3 ASN 47 HB2 ASN 47 -6.561 -14.319 8.464 498 HD21 ASN 47 HD21 ASN 47 -3.601 -13.587 10.115 499 HD22 ASN 47 HD22 ASN 47 -2.718 -14.969 9.566 500 H ALA 48 H ALA 48 -7.264 -13.525 5.994 501 HA ALA 48 HA ALA 48 -8.733 -11.266 5.390 502 HB1 ALA 48 HB1 ALA 48 -8.853 -13.373 4.136 503 HB2 ALA 48 HB2 ALA 48 -10.456 -12.760 4.575 504 HB3 ALA 48 HB3 ALA 48 -9.748 -14.102 5.476 505 H ALA 49 H ALA 49 -10.610 -10.385 6.087 506 HA ALA 49 HA ALA 49 -10.719 -9.790 8.735 507 HB1 ALA 49 HB1 ALA 49 -11.727 -8.515 6.893 508 HB2 ALA 49 HB2 ALA 49 -12.792 -8.687 8.290 509 HB3 ALA 49 HB3 ALA 49 -13.047 -9.685 6.857 510 H SER 50 H SER 50 -13.127 -11.865 7.120 511 HA SER 50 HA SER 50 -14.451 -12.502 9.542 512 HB2 SER 50 HB3 SER 50 -15.423 -12.687 7.208 513 HB3 SER 50 HB2 SER 50 -14.463 -14.149 7.006 514 HG SER 50 HG SER 50 -15.566 -14.931 8.949 515 H GLY 51 H GLY 51 -11.987 -14.067 7.611 516 HA2 GLY 51 HA3 GLY 51 -10.123 -14.932 9.080 517 HA3 GLY 51 HA2 GLY 51 -11.389 -15.796 9.938 518 H LYS 52 H LYS 52 -11.585 -15.489 6.494 519 HA LYS 52 HA LYS 52 -11.548 -18.324 6.153 520 HB2 LYS 52 HB3 LYS 52 -11.558 -16.047 4.165 521 HB3 LYS 52 HB2 LYS 52 -11.673 -17.741 3.712 522 HG2 LYS 52 HG3 LYS 52 -13.775 -17.972 4.819 523 HG3 LYS 52 HG2 LYS 52 -13.630 -16.366 5.539 524 HD2 LYS 52 HD3 LYS 52 -13.739 -15.349 3.330 525 HD3 LYS 52 HD2 LYS 52 -13.826 -16.945 2.585 526 HE2 LYS 52 HE3 LYS 52 -15.856 -15.900 4.551 527 HE3 LYS 52 HE2 LYS 52 -16.019 -15.748 2.803 528 HZ1 LYS 52 HZ1 LYS 52 -15.813 -18.303 4.304 529 HZ2 LYS 52 HZ2 LYS 52 -15.966 -18.157 2.625 530 HZ3 LYS 52 HZ3 LYS 52 -17.226 -17.657 3.635 531 HA PRO 53 HA PRO 53 -7.157 -18.721 5.939 532 HB2 PRO 53 HB3 PRO 53 -7.052 -21.216 4.857 533 HB3 PRO 53 HB2 PRO 53 -7.439 -20.907 6.553 534 HG2 PRO 53 HG3 PRO 53 -9.281 -21.434 4.256 535 HG3 PRO 53 HG2 PRO 53 -9.331 -22.096 5.901 536 HD2 PRO 53 HD3 PRO 53 -10.932 -20.074 5.135 537 HD3 PRO 53 HD2 PRO 53 -10.270 -20.171 6.780 538 H ASP 54 H ASP 54 -5.545 -18.526 4.513 539 HA ASP 54 HA ASP 54 -4.330 -18.616 2.573 540 HB2 ASP 54 HB3 ASP 54 -5.623 -20.297 1.465 541 HB3 ASP 54 HB2 ASP 54 -6.996 -19.213 1.278 542 H ARG 55 H ARG 55 -7.458 -17.121 1.946 543 HA ARG 55 HA ARG 55 -6.358 -14.768 0.898 544 HB2 ARG 55 HB3 ARG 55 -9.089 -15.501 1.845 545 HB3 ARG 55 HB2 ARG 55 -8.720 -13.823 1.455 546 HG2 ARG 55 HG3 ARG 55 -7.938 -14.569 -0.778 547 HG3 ARG 55 HG2 ARG 55 -8.473 -16.199 -0.376 548 HD2 ARG 55 HD3 ARG 55 -10.742 -15.512 -0.259 549 HD3 ARG 55 HD2 ARG 55 -10.296 -13.808 -0.332 550 HE ARG 55 HE ARG 55 -9.334 -14.629 -2.654 551 HH11 ARG 55 HH11 ARG 55 -12.419 -15.346 -1.150 552 HH12 ARG 55 HH12 ARG 55 -13.234 -15.600 -2.661 553 HH21 ARG 55 HH21 ARG 55 -10.399 -14.962 -4.630 554 HH22 ARG 55 HH22 ARG 55 -12.088 -15.379 -4.639 555 H TYR 56 H TYR 56 -6.028 -12.787 1.640 556 HA TYR 56 HA TYR 56 -5.923 -12.478 4.561 557 HB2 TYR 56 HB3 TYR 56 -3.986 -11.573 2.426 558 HB3 TYR 56 HB2 TYR 56 -3.989 -10.892 4.048 559 HD1 TYR 56 HD1 TYR 56 -3.072 -13.728 1.992 560 HD2 TYR 56 HD2 TYR 56 -3.381 -12.341 6.001 561 HE1 TYR 56 HE1 TYR 56 -1.626 -15.566 2.732 562 HE2 TYR 56 HE2 TYR 56 -1.933 -14.178 6.750 563 HH TYR 56 HH TYR 56 -0.069 -16.009 4.667 564 H ASP 57 H ASP 57 -5.539 -9.963 4.963 565 HA ASP 57 HA ASP 57 -7.619 -8.500 3.474 566 HB2 ASP 57 HB3 ASP 57 -8.453 -9.357 5.669 567 HB3 ASP 57 HB2 ASP 57 -7.173 -8.461 6.471 568 H MET 58 H MET 58 -7.066 -6.436 2.919 569 HA MET 58 HA MET 58 -4.771 -5.212 4.279 570 HB2 MET 58 HB3 MET 58 -3.999 -6.308 2.132 571 HB3 MET 58 HB2 MET 58 -5.041 -5.191 1.265 572 HG2 MET 58 HG3 MET 58 -2.908 -4.230 3.140 573 HG3 MET 58 HG2 MET 58 -2.564 -4.613 1.455 574 HE1 MET 58 HE1 MET 58 -2.330 -1.762 3.232 575 HE2 MET 58 HE2 MET 58 -2.666 -0.621 1.931 576 HE3 MET 58 HE3 MET 58 -1.587 -1.995 1.648 577 H GLU 59 H GLU 59 -4.952 -2.987 4.516 578 HA GLU 59 HA GLU 59 -7.223 -1.676 3.262 579 HB2 GLU 59 HB3 GLU 59 -8.152 -2.807 5.221 580 HB3 GLU 59 HB2 GLU 59 -6.947 -2.052 6.246 581 HG2 GLU 59 HG3 GLU 59 -7.937 0.121 5.858 582 HG3 GLU 59 HG2 GLU 59 -9.111 -0.595 4.750 583 H ASN 60 H ASN 60 -7.172 0.561 3.323 584 HA ASN 60 HA ASN 60 -4.752 1.793 4.469 585 HB2 ASN 60 HB3 ASN 60 -6.005 2.547 1.816 586 HB3 ASN 60 HB2 ASN 60 -4.605 3.306 2.556 587 HD21 ASN 60 HD21 ASN 60 -5.779 0.615 0.752 588 HD22 ASN 60 HD22 ASN 60 -4.239 -0.090 0.412 589 H LEU 61 H LEU 61 -5.609 2.859 6.147 590 HA LEU 61 HA LEU 61 -8.008 4.485 5.694 591 HB2 LEU 61 HB3 LEU 61 -6.575 3.649 8.208 592 HB3 LEU 61 HB2 LEU 61 -7.874 4.822 8.202 593 HG LEU 61 HG LEU 61 -8.125 1.958 7.277 594 HD11 LEU 61 HD11 LEU 61 -7.769 2.115 9.687 595 HD12 LEU 61 HD12 LEU 61 -9.421 1.624 9.313 596 HD13 LEU 61 HD13 LEU 61 -9.086 3.283 9.807 597 HD21 LEU 61 HD21 LEU 61 -9.669 3.442 6.118 598 HD22 LEU 61 HD22 LEU 61 -10.193 4.121 7.659 599 HD23 LEU 61 HD23 LEU 61 -10.536 2.434 7.277 600 H THR 62 H THR 62 -7.843 6.621 5.394 601 HA THR 62 HA THR 62 -5.279 7.878 6.043 602 HB THR 62 HB THR 62 -5.342 9.153 3.985 603 HG1 THR 62 HG1 THR 62 -7.064 8.325 2.410 604 HG21 THR 62 HG21 THR 62 -5.022 7.397 2.344 605 HG22 THR 62 HG22 THR 62 -5.866 6.248 3.378 606 HG23 THR 62 HG23 THR 62 -4.316 6.919 3.887 607 H THR 63 H THR 63 -6.208 10.393 4.929 608 HA THR 63 HA THR 63 -7.926 11.199 7.151 609 HB THR 63 HB THR 63 -7.094 13.483 6.637 610 HG1 THR 63 HG1 THR 63 -5.698 13.794 4.970 611 HG21 THR 63 HG21 THR 63 -4.705 13.025 7.278 612 HG22 THR 63 HG22 THR 63 -5.044 11.305 7.052 613 HG23 THR 63 HG23 THR 63 -5.902 12.218 8.294 614 H LYS 64 H LYS 64 -7.659 11.221 3.654 615 HA LYS 64 HA LYS 64 -10.297 12.518 3.486 616 HB2 LYS 64 HB3 LYS 64 -8.069 12.654 1.452 617 HB3 LYS 64 HB2 LYS 64 -9.607 13.498 1.374 618 HG2 LYS 64 HG3 LYS 64 -7.480 13.942 3.457 619 HG3 LYS 64 HG2 LYS 64 -7.775 14.964 2.053 620 HD2 LYS 64 HD3 LYS 64 -9.997 15.487 2.868 621 HD3 LYS 64 HD2 LYS 64 -9.761 14.416 4.251 622 HE2 LYS 64 HE3 LYS 64 -7.837 15.837 4.934 623 HE3 LYS 64 HE2 LYS 64 -8.248 16.949 3.629 624 HZ1 LYS 64 HZ1 LYS 64 -10.425 17.261 4.660 625 HZ2 LYS 64 HZ2 LYS 64 -9.176 17.704 5.708 626 HZ3 LYS 64 HZ3 LYS 64 -9.984 16.236 5.929 627 H LYS 65 H LYS 65 -8.967 9.570 3.242 628 HA LYS 65 HA LYS 65 -10.951 8.737 1.285 629 HB2 LYS 65 HB3 LYS 65 -8.593 9.206 0.229 630 HB3 LYS 65 HB2 LYS 65 -8.176 7.662 0.955 631 HG2 LYS 65 HG3 LYS 65 -8.794 7.335 -1.340 632 HG3 LYS 65 HG2 LYS 65 -10.020 6.606 -0.308 633 HD2 LYS 65 HD3 LYS 65 -11.328 8.767 -0.581 634 HD3 LYS 65 HD2 LYS 65 -10.187 9.175 -1.861 635 HE2 LYS 65 HE3 LYS 65 -10.784 7.122 -3.048 636 HE3 LYS 65 HE2 LYS 65 -11.918 6.709 -1.764 637 HZ1 LYS 65 HZ1 LYS 65 -13.063 8.857 -2.300 638 HZ2 LYS 65 HZ2 LYS 65 -13.166 7.667 -3.491 639 HZ3 LYS 65 HZ3 LYS 65 -12.091 8.960 -3.685 640 H ASP 66 H ASP 66 -9.656 6.127 1.122 641 HA ASP 66 HA ASP 66 -9.566 4.618 3.343 642 HB2 ASP 66 HB3 ASP 66 -11.577 5.468 4.299 643 HB3 ASP 66 HB2 ASP 66 -12.420 5.386 2.763 644 H THR 67 H THR 67 -9.208 2.631 2.630 645 HA THR 67 HA THR 67 -10.693 1.574 0.374 646 HB THR 67 HB THR 67 -8.556 0.693 -0.656 647 HG1 THR 67 HG1 THR 67 -7.532 2.076 1.439 648 HG21 THR 67 HG21 THR 67 -8.918 3.688 -0.685 649 HG22 THR 67 HG22 THR 67 -9.803 2.531 -1.679 650 HG23 THR 67 HG23 THR 67 -8.067 2.738 -1.901 651 H HIS 68 H HIS 68 -10.868 -0.660 0.483 652 HA HIS 68 HA HIS 68 -9.366 -1.985 2.595 653 HB2 HIS 68 HB3 HIS 68 -11.529 -1.106 3.558 654 HB3 HIS 68 HB2 HIS 68 -12.378 -2.178 2.449 655 HD1 HIS 68 HD1 HIS 68 -12.844 -2.601 5.389 656 HD2 HIS 68 HD2 HIS 68 -9.767 -4.471 3.316 657 HE1 HIS 68 HE1 HIS 68 -12.302 -4.676 6.697 658 HE2 HIS 68 HE2 HIS 68 -10.514 -5.855 5.363 659 H HIS 69 H HIS 69 -8.327 -3.252 1.177 660 HA HIS 69 HA HIS 69 -9.598 -4.682 -0.939 661 HB2 HIS 69 HB3 HIS 69 -6.953 -5.247 0.425 662 HB3 HIS 69 HB2 HIS 69 -7.476 -5.891 -1.124 663 HD1 HIS 69 HD1 HIS 69 -8.542 -3.102 -2.254 664 HD2 HIS 69 HD2 HIS 69 -4.818 -3.821 -0.540 665 HE1 HIS 69 HE1 HIS 69 -7.005 -1.329 -3.177 666 HE2 HIS 69 HE2 HIS 69 -4.705 -1.981 -2.355 667 H LYS 70 H LYS 70 -11.345 -5.700 -0.004 668 HA LYS 70 HA LYS 70 -11.085 -7.379 2.295 669 HB2 LYS 70 HB3 LYS 70 -13.326 -6.814 0.378 670 HB3 LYS 70 HB2 LYS 70 -13.484 -7.974 1.692 671 HG2 LYS 70 HG3 LYS 70 -13.229 -6.321 3.318 672 HG3 LYS 70 HG2 LYS 70 -12.593 -5.158 2.156 673 HD2 LYS 70 HD3 LYS 70 -14.815 -5.169 1.038 674 HD3 LYS 70 HD2 LYS 70 -15.420 -6.176 2.359 675 HE2 LYS 70 HE3 LYS 70 -13.983 -3.641 2.902 676 HE3 LYS 70 HE2 LYS 70 -15.696 -3.594 2.478 677 HZ1 LYS 70 HZ1 LYS 70 -15.319 -3.643 4.891 678 HZ2 LYS 70 HZ2 LYS 70 -14.541 -5.137 4.744 679 HZ3 LYS 70 HZ3 LYS 70 -16.180 -4.998 4.364 680 H ASP 71 H ASP 71 -10.103 -9.268 2.198 681 HA ASP 71 HA ASP 71 -9.832 -11.480 1.817 682 HB2 ASP 71 HB3 ASP 71 -12.490 -11.067 0.471 683 HB3 ASP 71 HB2 ASP 71 -11.718 -12.646 0.537 684 H TRP 72 H TRP 72 -7.973 -10.791 0.564 685 HA TRP 72 HA TRP 72 -8.239 -11.655 -2.242 686 HB2 TRP 72 HB3 TRP 72 -6.247 -10.225 -2.715 687 HB3 TRP 72 HB2 TRP 72 -7.655 -9.303 -2.198 688 HD1 TRP 72 HD1 TRP 72 -7.526 -8.077 0.164 689 HE1 TRP 72 HE1 TRP 72 -5.552 -7.482 1.702 690 HE3 TRP 72 HE3 TRP 72 -3.915 -11.053 -1.917 691 HZ2 TRP 72 HZ2 TRP 72 -2.832 -8.188 1.973 692 HZ3 TRP 72 HZ3 TRP 72 -1.665 -10.990 -0.916 693 HH2 TRP 72 HH2 TRP 72 -1.147 -9.598 0.968 694 H ALA 73 H ALA 73 -6.715 -13.124 -2.999 695 HA ALA 73 HA ALA 73 -5.031 -14.345 -0.922 696 HB1 ALA 73 HB1 ALA 73 -5.860 -15.407 -3.622 697 HB2 ALA 73 HB2 ALA 73 -6.580 -15.844 -2.072 698 HB3 ALA 73 HB3 ALA 73 -4.906 -16.276 -2.420 699 H LEU 74 H LEU 74 -2.805 -14.551 -1.196 700 HA LEU 74 HA LEU 74 -1.387 -12.777 -2.747 701 HB2 LEU 74 HB3 LEU 74 -0.710 -14.364 -0.776 702 HB3 LEU 74 HB2 LEU 74 -0.267 -15.470 -2.058 703 HG LEU 74 HG LEU 74 0.859 -12.681 -1.802 704 HD11 LEU 74 HD11 LEU 74 1.491 -13.957 0.149 705 HD12 LEU 74 HD12 LEU 74 2.879 -13.801 -0.929 706 HD13 LEU 74 HD13 LEU 74 1.980 -15.316 -0.861 707 HD21 LEU 74 HD21 LEU 74 1.796 -15.070 -3.383 708 HD22 LEU 74 HD22 LEU 74 2.537 -13.470 -3.354 709 HD23 LEU 74 HD23 LEU 74 0.930 -13.686 -4.048 710 H GLY 75 H GLY 75 -1.068 -12.628 -4.841 711 HA2 GLY 75 HA3 GLY 75 -0.657 -13.318 -7.035 712 HA3 GLY 75 HA2 GLY 75 -0.940 -14.980 -6.541 713 H GLU 76 H GLU 76 -3.255 -12.537 -5.696 714 HA GLU 76 HA GLU 76 -5.057 -13.616 -7.759 715 HB2 GLU 76 HB3 GLU 76 -5.648 -14.431 -5.531 716 HB3 GLU 76 HB2 GLU 76 -5.759 -12.779 -4.944 717 HG2 GLU 76 HG3 GLU 76 -7.683 -12.351 -6.254 718 HG3 GLU 76 HG2 GLU 76 -7.486 -13.857 -7.152 719 H GLU 77 H GLU 77 -6.007 -12.264 -9.049 720 HA GLU 77 HA GLU 77 -5.733 -9.372 -8.634 721 HB2 GLU 77 HB3 GLU 77 -4.985 -10.244 -10.771 722 HB3 GLU 77 HB2 GLU 77 -6.529 -11.040 -11.032 723 HG2 GLU 77 HG3 GLU 77 -7.611 -8.818 -11.116 724 HG3 GLU 77 HG2 GLU 77 -6.015 -8.078 -10.980 725 H PHE 78 H PHE 78 -7.396 -8.232 -7.881 726 HA PHE 78 HA PHE 78 -10.144 -9.188 -8.334 727 HB2 PHE 78 HB3 PHE 78 -10.706 -8.574 -6.007 728 HB3 PHE 78 HB2 PHE 78 -9.485 -9.841 -6.061 729 HD1 PHE 78 HD1 PHE 78 -7.097 -9.257 -5.608 730 HD2 PHE 78 HD2 PHE 78 -10.279 -6.503 -4.969 731 HE1 PHE 78 HE1 PHE 78 -5.633 -7.906 -4.166 732 HE2 PHE 78 HE2 PHE 78 -8.818 -5.145 -3.528 733 HZ PHE 78 HZ PHE 78 -6.492 -5.847 -3.128 734 H GLN 79 H GLN 79 -11.754 -7.469 -8.228 735 HA GLN 79 HA GLN 79 -10.638 -4.879 -8.953 736 HB2 GLN 79 HB3 GLN 79 -12.493 -5.919 -10.281 737 HB3 GLN 79 HB2 GLN 79 -13.543 -5.709 -8.889 738 HG2 GLN 79 HG3 GLN 79 -13.420 -3.351 -9.038 739 HG3 GLN 79 HG2 GLN 79 -12.112 -3.427 -10.216 740 HE21 GLN 79 HE21 GLN 79 -13.349 -5.598 -11.710 741 HE22 GLN 79 HE22 GLN 79 -14.666 -4.896 -12.581 742 H ASP 80 H ASP 80 -11.423 -2.905 -7.909 743 HA ASP 80 HA ASP 80 -12.281 -3.146 -5.156 744 HB2 ASP 80 HB3 ASP 80 -9.893 -3.916 -5.169 745 HB3 ASP 80 HB2 ASP 80 -9.432 -2.338 -5.784 746 H GLU 81 H GLU 81 -12.348 -1.000 -4.084 747 HA GLU 81 HA GLU 81 -12.564 1.173 -6.040 748 HB2 GLU 81 HB3 GLU 81 -13.875 2.355 -4.258 749 HB3 GLU 81 HB2 GLU 81 -14.646 0.901 -4.871 750 HG2 GLU 81 HG3 GLU 81 -13.932 -0.324 -2.889 751 HG3 GLU 81 HG2 GLU 81 -13.115 1.117 -2.286 752 H ALA 82 H ALA 82 -10.525 1.757 -6.182 753 HA ALA 82 HA ALA 82 -8.777 1.655 -3.929 754 HB1 ALA 82 HB1 ALA 82 -8.224 2.685 -6.686 755 HB2 ALA 82 HB2 ALA 82 -8.132 0.994 -6.197 756 HB3 ALA 82 HB3 ALA 82 -7.036 2.181 -5.480 757 H LEU 83 H LEU 83 -7.128 3.491 -3.691 758 HA LEU 83 HA LEU 83 -8.341 5.579 -2.359 759 HB2 LEU 83 HB3 LEU 83 -5.601 5.555 -3.626 760 HB3 LEU 83 HB2 LEU 83 -6.125 6.629 -2.343 761 HG LEU 83 HG LEU 83 -6.209 3.666 -1.921 762 HD11 LEU 83 HD11 LEU 83 -3.933 3.773 -1.013 763 HD12 LEU 83 HD12 LEU 83 -3.783 5.426 -1.607 764 HD13 LEU 83 HD13 LEU 83 -3.969 4.096 -2.748 765 HD21 LEU 83 HD21 LEU 83 -5.862 4.336 0.403 766 HD22 LEU 83 HD22 LEU 83 -7.276 5.136 -0.285 767 HD23 LEU 83 HD23 LEU 83 -5.764 6.025 -0.092 768 H ASP 84 H ASP 84 -7.381 5.317 -5.685 769 HA ASP 84 HA ASP 84 -7.582 8.122 -6.235 770 HB2 ASP 84 HB3 ASP 84 -7.102 7.443 -8.563 771 HB3 ASP 84 HB2 ASP 84 -5.936 6.828 -7.406 772 H SER 85 H SER 85 -9.981 6.332 -5.409 773 HA SER 85 HA SER 85 -12.182 6.833 -5.412 774 HB2 SER 85 HB3 SER 85 -11.433 9.106 -7.257 775 HB3 SER 85 HB2 SER 85 -12.935 8.952 -6.346 776 HG SER 85 HG SER 85 -10.428 9.742 -5.513 777 H THR 86 H THR 86 -11.040 5.050 -7.464 778 HA THR 86 HA THR 86 -13.412 5.013 -9.178 779 HB THR 86 HB THR 86 -11.896 4.149 -11.047 780 HG1 THR 86 HG1 THR 86 -9.921 5.563 -9.552 781 HG21 THR 86 HG21 THR 86 -11.690 7.046 -10.228 782 HG22 THR 86 HG22 THR 86 -13.003 6.317 -11.155 783 HG23 THR 86 HG23 THR 86 -11.382 6.413 -11.845 784 H GLN 87 H GLN 87 -13.718 2.856 -10.213 785 HA GLN 87 HA GLN 87 -12.870 0.729 -8.369 786 HB2 GLN 87 HB3 GLN 87 -14.837 0.376 -10.616 787 HB3 GLN 87 HB2 GLN 87 -14.707 -0.535 -9.122 788 HG2 GLN 87 HG3 GLN 87 -15.666 2.298 -9.335 789 HG3 GLN 87 HG2 GLN 87 -16.708 0.882 -9.263 790 HE21 GLN 87 HE21 GLN 87 -14.678 3.033 -7.493 791 HE22 GLN 87 HE22 GLN 87 -15.070 2.444 -5.917 792 H HIS 88 H HIS 88 -11.155 -0.453 -9.076 793 HA HIS 88 HA HIS 88 -11.031 -1.128 -11.874 794 HB2 HIS 88 HB3 HIS 88 -8.707 -0.265 -12.160 795 HB3 HIS 88 HB2 HIS 88 -9.949 0.971 -12.046 796 HD1 HIS 88 HD1 HIS 88 -7.263 -0.633 -9.890 797 HD2 HIS 88 HD2 HIS 88 -9.484 2.870 -10.182 798 HE1 HIS 88 HE1 HIS 88 -6.261 0.955 -8.211 799 HE2 HIS 88 HE2 HIS 88 -7.545 3.112 -8.487 800 H LYS 89 H LYS 89 -8.930 -2.379 -12.338 801 HA LYS 89 HA LYS 89 -9.140 -4.632 -10.605 802 HB2 LYS 89 HB3 LYS 89 -7.626 -5.699 -12.253 803 HB3 LYS 89 HB2 LYS 89 -9.041 -4.959 -12.992 804 HG2 LYS 89 HG3 LYS 89 -7.690 -3.022 -13.629 805 HG3 LYS 89 HG2 LYS 89 -6.271 -3.788 -12.916 806 HD2 LYS 89 HD3 LYS 89 -7.911 -4.974 -15.150 807 HD3 LYS 89 HD2 LYS 89 -6.419 -4.059 -15.382 808 HE2 LYS 89 HE3 LYS 89 -5.174 -5.675 -14.124 809 HE3 LYS 89 HE2 LYS 89 -6.645 -6.544 -13.705 810 HZ1 LYS 89 HZ1 LYS 89 -5.489 -7.658 -15.480 811 HZ2 LYS 89 HZ2 LYS 89 -5.505 -6.257 -16.426 812 HZ3 LYS 89 HZ3 LYS 89 -6.955 -7.042 -16.061 813 H ILE 90 H ILE 90 -7.628 -5.539 -9.327 814 HA ILE 90 HA ILE 90 -5.060 -4.180 -8.969 815 HB ILE 90 HB ILE 90 -7.043 -4.781 -6.777 816 HG12 ILE 90 HG13 ILE 90 -5.748 -2.225 -7.736 817 HG13 ILE 90 HG12 ILE 90 -7.447 -2.659 -7.866 818 HG21 ILE 90 HG21 ILE 90 -5.319 -4.061 -5.202 819 HG22 ILE 90 HG22 ILE 90 -4.165 -3.933 -6.531 820 HG23 ILE 90 HG23 ILE 90 -4.837 -5.507 -6.092 821 HD11 ILE 90 HD11 ILE 90 -5.914 -2.054 -5.359 822 HD12 ILE 90 HD12 ILE 90 -7.566 -2.661 -5.394 823 HD13 ILE 90 HD13 ILE 90 -7.191 -1.088 -6.099 824 H THR 91 H THR 91 -3.452 -5.612 -8.879 825 HA THR 91 HA THR 91 -4.094 -8.377 -8.108 826 HB THR 91 HB THR 91 -1.717 -7.394 -9.684 827 HG1 THR 91 HG1 THR 91 -4.255 -8.339 -10.429 828 HG21 THR 91 HG21 THR 91 -2.720 -10.186 -9.129 829 HG22 THR 91 HG22 THR 91 -1.266 -9.450 -8.451 830 HG23 THR 91 HG23 THR 91 -1.367 -9.773 -10.182 831 H PHE 92 H PHE 92 -3.222 -9.185 -6.336 832 HA PHE 92 HA PHE 92 -1.006 -7.722 -5.048 833 HB2 PHE 92 HB3 PHE 92 -3.446 -8.970 -3.946 834 HB3 PHE 92 HB2 PHE 92 -1.963 -9.325 -3.066 835 HD1 PHE 92 HD1 PHE 92 -3.967 -6.511 -4.417 836 HD2 PHE 92 HD2 PHE 92 -1.130 -7.803 -1.529 837 HE1 PHE 92 HE1 PHE 92 -4.144 -4.337 -3.281 838 HE2 PHE 92 HE2 PHE 92 -1.300 -5.633 -0.390 839 HZ PHE 92 HZ PHE 92 -2.753 -3.892 -1.266 840 H ASP 93 H ASP 93 0.873 -8.818 -4.825 841 HA ASP 93 HA ASP 93 0.980 -11.651 -4.639 842 HB2 ASP 93 HB3 ASP 93 1.826 -12.278 -6.739 843 HB3 ASP 93 HB2 ASP 93 0.493 -11.201 -7.134 844 H LEU 94 H LEU 94 3.348 -12.371 -4.964 845 HA LEU 94 HA LEU 94 5.052 -10.326 -3.717 846 HB2 LEU 94 HB3 LEU 94 4.711 -13.234 -3.291 847 HB3 LEU 94 HB2 LEU 94 6.363 -12.655 -3.252 848 HG LEU 94 HG LEU 94 5.184 -12.824 -1.016 849 HD11 LEU 94 HD11 LEU 94 6.264 -10.133 -1.834 850 HD12 LEU 94 HD12 LEU 94 7.216 -11.521 -1.308 851 HD13 LEU 94 HD13 LEU 94 6.116 -10.727 -0.180 852 HD21 LEU 94 HD21 LEU 94 3.013 -11.957 -1.667 853 HD22 LEU 94 HD22 LEU 94 3.740 -10.406 -2.082 854 HD23 LEU 94 HD23 LEU 94 3.725 -10.951 -0.404 855 H LYS 95 H LYS 95 6.630 -9.555 -4.914 856 HA LYS 95 HA LYS 95 7.266 -10.835 -7.453 857 HB2 LYS 95 HB3 LYS 95 6.879 -8.388 -7.373 858 HB3 LYS 95 HB2 LYS 95 8.227 -8.219 -6.258 859 HG2 LYS 95 HG3 LYS 95 8.854 -7.592 -8.525 860 HG3 LYS 95 HG2 LYS 95 9.766 -8.996 -7.973 861 HD2 LYS 95 HD3 LYS 95 8.286 -10.467 -9.225 862 HD3 LYS 95 HD2 LYS 95 7.324 -9.084 -9.742 863 HE2 LYS 95 HE3 LYS 95 9.262 -8.176 -10.922 864 HE3 LYS 95 HE2 LYS 95 10.228 -9.555 -10.398 865 HZ1 LYS 95 HZ1 LYS 95 8.733 -11.014 -11.622 866 HZ2 LYS 95 HZ2 LYS 95 9.424 -9.860 -12.647 867 HZ3 LYS 95 HZ3 LYS 95 7.824 -9.683 -12.136 868 H ASP 96 H ASP 96 8.846 -9.670 -4.538 869 HA ASP 96 HA ASP 96 10.777 -11.873 -4.742 870 HB2 ASP 96 HB3 ASP 96 11.373 -9.046 -3.819 871 HB3 ASP 96 HB2 ASP 96 12.494 -10.392 -3.731 872 HA PRO 97 HA PRO 97 9.503 -12.726 -0.605 873 HB2 PRO 97 HB3 PRO 97 12.271 -13.072 0.321 874 HB3 PRO 97 HB2 PRO 97 10.990 -14.275 0.155 875 HG2 PRO 97 HG3 PRO 97 13.098 -14.253 -1.497 876 HG3 PRO 97 HG2 PRO 97 11.474 -14.676 -2.075 877 HD2 PRO 97 HD3 PRO 97 12.939 -12.062 -2.307 878 HD3 PRO 97 HD2 PRO 97 12.031 -12.944 -3.552 879 H ASN 98 H ASN 98 11.072 -9.992 -1.325 880 HA ASN 98 HA ASN 98 10.690 -8.893 1.370 881 HB2 ASN 98 HB3 ASN 98 13.126 -9.228 0.889 882 HB3 ASN 98 HB2 ASN 98 12.963 -8.157 -0.495 883 HD21 ASN 98 HD21 ASN 98 14.411 -6.669 0.284 884 HD22 ASN 98 HD22 ASN 98 14.078 -5.648 1.638 885 H THR 99 H THR 99 9.244 -9.001 -1.353 886 HA THR 99 HA THR 99 8.508 -6.198 -1.400 887 HB THR 99 HB THR 99 9.581 -7.509 -3.907 888 HG1 THR 99 HG1 THR 99 10.764 -6.050 -1.916 889 HG21 THR 99 HG21 THR 99 9.280 -5.294 -4.918 890 HG22 THR 99 HG22 THR 99 8.570 -4.703 -3.417 891 HG23 THR 99 HG23 THR 99 7.743 -5.949 -4.352 892 H LEU 100 H LEU 100 6.412 -6.500 -1.033 893 HA LEU 100 HA LEU 100 4.811 -8.376 -2.601 894 HB2 LEU 100 HB3 LEU 100 4.486 -7.759 -0.105 895 HB3 LEU 100 HB2 LEU 100 3.830 -6.251 -0.694 896 HG LEU 100 HG LEU 100 2.659 -8.972 -1.289 897 HD11 LEU 100 HD11 LEU 100 0.942 -8.391 0.307 898 HD12 LEU 100 HD12 LEU 100 1.714 -6.837 0.618 899 HD13 LEU 100 HD13 LEU 100 2.521 -8.334 1.091 900 HD21 LEU 100 HD21 LEU 100 1.511 -6.218 -1.735 901 HD22 LEU 100 HD22 LEU 100 0.743 -7.760 -2.116 902 HD23 LEU 100 HD23 LEU 100 2.182 -7.250 -2.998 903 H THR 101 H THR 101 3.517 -7.693 -4.388 904 HA THR 101 HA THR 101 3.815 -4.841 -5.044 905 HB THR 101 HB THR 101 3.426 -5.794 -7.459 906 HG1 THR 101 HG1 THR 101 3.131 -7.965 -6.977 907 HG21 THR 101 HG21 THR 101 6.054 -6.087 -5.997 908 HG22 THR 101 HG22 THR 101 5.434 -4.607 -6.726 909 HG23 THR 101 HG23 THR 101 5.858 -5.980 -7.746 910 H GLU 102 H GLU 102 2.045 -3.684 -5.353 911 HA GLU 102 HA GLU 102 -0.511 -5.073 -5.826 912 HB2 GLU 102 HB3 GLU 102 -0.518 -3.618 -3.825 913 HB3 GLU 102 HB2 GLU 102 -0.038 -2.250 -4.822 914 HG2 GLU 102 HG3 GLU 102 -2.158 -2.671 -6.155 915 HG3 GLU 102 HG2 GLU 102 -2.640 -3.746 -4.849 916 H THR 103 H THR 103 -0.677 -5.250 -8.007 917 HA THR 103 HA THR 103 0.061 -2.981 -9.693 918 HB THR 103 HB THR 103 -1.014 -5.688 -10.520 919 HG1 THR 103 HG1 THR 103 1.684 -5.079 -10.875 920 HG21 THR 103 HG21 THR 103 -1.263 -3.985 -12.239 921 HG22 THR 103 HG22 THR 103 0.006 -5.122 -12.696 922 HG23 THR 103 HG23 THR 103 0.435 -3.532 -12.064 923 H HIS 104 H HIS 104 -1.500 -1.433 -9.665 924 HA HIS 104 HA HIS 104 -4.267 -2.380 -9.899 925 HB2 HIS 104 HB3 HIS 104 -4.981 -0.281 -8.774 926 HB3 HIS 104 HB2 HIS 104 -4.051 -1.365 -7.759 927 HD1 HIS 104 HD1 HIS 104 -4.357 2.088 -8.551 928 HD2 HIS 104 HD2 HIS 104 -1.189 -0.435 -7.631 929 HE1 HIS 104 HE1 HIS 104 -2.533 3.586 -7.714 930 HE2 HIS 104 HE2 HIS 104 -0.702 2.020 -6.992 931 H ILE 105 H ILE 105 -5.152 -2.082 -11.724 932 HA ILE 105 HA ILE 105 -4.247 0.115 -13.473 933 HB ILE 105 HB ILE 105 -5.161 -2.679 -14.135 934 HG12 ILE 105 HG13 ILE 105 -2.609 -1.159 -14.703 935 HG13 ILE 105 HG12 ILE 105 -2.813 -2.473 -13.547 936 HG21 ILE 105 HG21 ILE 105 -6.272 -1.227 -15.710 937 HG22 ILE 105 HG22 ILE 105 -4.949 -2.067 -16.522 938 HG23 ILE 105 HG23 ILE 105 -4.760 -0.381 -16.047 939 HD11 ILE 105 HD11 ILE 105 -3.108 -2.691 -16.526 940 HD12 ILE 105 HD12 ILE 105 -3.287 -4.008 -15.366 941 HD13 ILE 105 HD13 ILE 105 -1.722 -3.224 -15.579 942 H LYS 106 H LYS 106 -5.736 1.562 -14.023 943 HA LYS 106 HA LYS 106 -8.429 1.541 -13.312 944 HB2 LYS 106 HB3 LYS 106 -7.016 2.958 -15.572 945 HB3 LYS 106 HB2 LYS 106 -8.676 3.282 -15.113 946 HG2 LYS 106 HG3 LYS 106 -6.473 3.545 -13.109 947 HG3 LYS 106 HG2 LYS 106 -6.806 4.832 -14.269 948 HD2 LYS 106 HD3 LYS 106 -9.295 4.345 -13.385 949 HD3 LYS 106 HD2 LYS 106 -8.374 3.921 -11.941 950 HE2 LYS 106 HE3 LYS 106 -8.136 6.525 -13.445 951 HE3 LYS 106 HE2 LYS 106 -9.098 6.293 -11.992 952 HZ1 LYS 106 HZ1 LYS 106 -7.067 5.723 -10.794 953 HZ2 LYS 106 HZ2 LYS 106 -6.979 7.275 -11.461 954 HZ3 LYS 106 HZ3 LYS 106 -6.144 6.002 -12.195 955 H VAL 107 H VAL 107 -9.768 -0.054 -13.882 956 HA VAL 107 HA VAL 107 -9.743 -1.568 -16.195 957 HB VAL 107 HB VAL 107 -12.112 -2.120 -15.746 958 HG11 VAL 107 HG11 VAL 107 -11.692 -3.198 -13.579 959 HG12 VAL 107 HG12 VAL 107 -10.236 -2.222 -13.398 960 HG13 VAL 107 HG13 VAL 107 -10.347 -3.402 -14.702 961 HG21 VAL 107 HG21 VAL 107 -11.731 -0.107 -13.563 962 HG22 VAL 107 HG22 VAL 107 -13.096 -1.220 -13.670 963 HG23 VAL 107 HG23 VAL 107 -12.844 -0.001 -14.920 964 H ASP 108 H ASP 108 -10.851 1.640 -15.755 965 HA ASP 108 HA ASP 108 -12.487 1.565 -18.168 966 HB2 ASP 108 HB3 ASP 108 -13.423 2.654 -16.180 967 HB3 ASP 108 HB2 ASP 108 -12.075 3.782 -16.155 968 H ASP 109 H ASP 109 -9.687 3.371 -16.868 969 HA ASP 109 HA ASP 109 -8.781 3.696 -19.638 970 HB2 ASP 109 HB3 ASP 109 -8.771 5.820 -17.484 971 HB3 ASP 109 HB2 ASP 109 -7.724 5.900 -18.894 972 HA PRO 110 HA PRO 110 -5.683 1.443 -17.198 973 HB2 PRO 110 HB3 PRO 110 -4.714 0.051 -19.301 974 HB3 PRO 110 HB2 PRO 110 -6.195 -0.401 -18.456 975 HG2 PRO 110 HG3 PRO 110 -5.871 1.120 -21.012 976 HG3 PRO 110 HG2 PRO 110 -6.988 -0.196 -20.625 977 HD2 PRO 110 HD3 PRO 110 -7.757 2.366 -20.601 978 HD3 PRO 110 HD2 PRO 110 -8.428 1.167 -19.482 979 H THR 111 H THR 111 -5.436 4.102 -18.861 980 HA THR 111 HA THR 111 -2.622 4.055 -19.498 981 HB THR 111 HB THR 111 -2.934 6.465 -19.971 982 HG1 THR 111 HG1 THR 111 -5.340 7.045 -19.936 983 HG21 THR 111 HG21 THR 111 -5.054 4.675 -21.158 984 HG22 THR 111 HG22 THR 111 -3.393 4.839 -21.727 985 HG23 THR 111 HG23 THR 111 -4.505 6.202 -21.846 986 H ASP 112 H ASP 112 -4.716 4.972 -16.836 987 HA ASP 112 HA ASP 112 -2.515 6.326 -15.470 988 HB2 ASP 112 HB3 ASP 112 -4.811 7.354 -15.635 989 HB3 ASP 112 HB2 ASP 112 -5.399 6.051 -14.615 990 H VAL 113 H VAL 113 -1.937 3.728 -15.660 991 HA VAL 113 HA VAL 113 -2.821 2.289 -13.338 992 HB VAL 113 HB VAL 113 -1.379 0.532 -14.071 993 HG11 VAL 113 HG11 VAL 113 -2.245 0.150 -16.312 994 HG12 VAL 113 HG12 VAL 113 -2.689 1.853 -16.432 995 HG13 VAL 113 HG13 VAL 113 -3.487 0.815 -15.252 996 HG21 VAL 113 HG21 VAL 113 -0.277 2.488 -16.066 997 HG22 VAL 113 HG22 VAL 113 0.133 0.777 -15.960 998 HG23 VAL 113 HG23 VAL 113 0.567 1.872 -14.648 999 H GLU 114 H GLU 114 -1.200 1.308 -11.834 1000 HA GLU 114 HA GLU 114 1.422 2.436 -11.662 1001 HB2 GLU 114 HB3 GLU 114 -0.539 3.923 -10.366 1002 HB3 GLU 114 HB2 GLU 114 0.128 2.925 -9.085 1003 HG2 GLU 114 HG3 GLU 114 1.687 4.773 -10.884 1004 HG3 GLU 114 HG2 GLU 114 1.247 5.080 -9.204 1005 H THR 115 H THR 115 2.652 1.435 -9.898 1006 HA THR 115 HA THR 115 1.375 -0.969 -8.783 1007 HB THR 115 HB THR 115 4.190 -0.898 -9.892 1008 HG1 THR 115 HG1 THR 115 2.181 -0.880 -11.374 1009 HG21 THR 115 HG21 THR 115 4.082 -3.337 -9.606 1010 HG22 THR 115 HG22 THR 115 2.479 -3.178 -8.890 1011 HG23 THR 115 HG23 THR 115 3.882 -2.494 -8.070 1012 H TYR 116 H TYR 116 1.443 -0.838 -6.670 1013 HA TYR 116 HA TYR 116 3.495 0.775 -5.335 1014 HB2 TYR 116 HB3 TYR 116 1.085 -0.680 -4.211 1015 HB3 TYR 116 HB2 TYR 116 2.195 0.300 -3.267 1016 HD1 TYR 116 HD1 TYR 116 2.217 2.231 -5.972 1017 HD2 TYR 116 HD2 TYR 116 -0.625 0.849 -3.123 1018 HE1 TYR 116 HE1 TYR 116 0.833 4.217 -6.397 1019 HE2 TYR 116 HE2 TYR 116 -2.018 2.829 -3.544 1020 HH TYR 116 HH TYR 116 -1.697 5.153 -4.393 1021 H GLU 117 H GLU 117 5.037 -0.236 -3.777 1022 HA GLU 117 HA GLU 117 5.166 -3.126 -4.070 1023 HB2 GLU 117 HB3 GLU 117 7.545 -1.281 -4.396 1024 HB3 GLU 117 HB2 GLU 117 7.516 -3.026 -4.612 1025 HG2 GLU 117 HG3 GLU 117 6.104 -2.772 -6.577 1026 HG3 GLU 117 HG2 GLU 117 6.079 -1.027 -6.348 1027 H TYR 118 H TYR 118 5.225 -3.901 -2.065 1028 HA TYR 118 HA TYR 118 5.920 -2.121 0.141 1029 HB2 TYR 118 HB3 TYR 118 4.687 -4.882 0.187 1030 HB3 TYR 118 HB2 TYR 118 4.856 -3.807 1.564 1031 HD1 TYR 118 HD1 TYR 118 3.276 -2.014 1.930 1032 HD2 TYR 118 HD2 TYR 118 3.074 -4.337 -1.616 1033 HE1 TYR 118 HE1 TYR 118 1.096 -1.051 1.435 1034 HE2 TYR 118 HE2 TYR 118 0.886 -3.374 -2.116 1035 HH TYR 118 HH TYR 118 -0.404 -0.770 -0.174 1036 H ARG 119 H ARG 119 7.941 -2.139 0.843 1037 HA ARG 119 HA ARG 119 9.417 -4.694 0.804 1038 HB2 ARG 119 HB3 ARG 119 10.342 -3.049 -0.775 1039 HB3 ARG 119 HB2 ARG 119 10.509 -1.883 0.531 1040 HG2 ARG 119 HG3 ARG 119 12.205 -3.166 1.578 1041 HG3 ARG 119 HG2 ARG 119 11.910 -4.544 0.513 1042 HD2 ARG 119 HD3 ARG 119 13.907 -3.375 -0.188 1043 HD3 ARG 119 HD2 ARG 119 12.643 -3.189 -1.401 1044 HE ARG 119 HE ARG 119 13.110 -1.070 0.581 1045 HH11 ARG 119 HH11 ARG 119 12.999 -2.149 -2.753 1046 HH12 ARG 119 HH12 ARG 119 13.243 -0.560 -3.403 1047 HH21 ARG 119 HH21 ARG 119 13.414 1.019 -0.278 1048 HH22 ARG 119 HH22 ARG 119 13.454 1.246 -2.000 1049 H ARG 120 H ARG 120 10.799 -5.121 2.607 1050 HA ARG 120 HA ARG 120 10.027 -3.623 5.016 1051 HB2 ARG 120 HB3 ARG 120 10.869 -6.477 4.591 1052 HB3 ARG 120 HB2 ARG 120 10.929 -5.734 6.182 1053 HG2 ARG 120 HG3 ARG 120 8.429 -5.773 4.525 1054 HG3 ARG 120 HG2 ARG 120 8.863 -7.083 5.625 1055 HD2 ARG 120 HD3 ARG 120 8.557 -4.187 6.416 1056 HD3 ARG 120 HD2 ARG 120 7.325 -5.430 6.638 1057 HE ARG 120 HE ARG 120 9.821 -6.163 7.818 1058 HH11 ARG 120 HH11 ARG 120 6.925 -4.271 8.332 1059 HH12 ARG 120 HH12 ARG 120 7.053 -4.308 10.060 1060 HH21 ARG 120 HH21 ARG 120 9.984 -6.238 10.079 1061 HH22 ARG 120 HH22 ARG 120 8.807 -5.427 11.070 1062 H ASP 121 H ASP 121 11.501 -2.502 6.093 1063 HA ASP 121 HA ASP 121 14.344 -3.175 5.742 1064 HB2 ASP 121 HB3 ASP 121 13.844 -1.153 4.413 1065 HB3 ASP 121 HB2 ASP 121 13.186 -0.377 5.850 1066 H GLY 122 H GLY 122 14.986 -3.920 7.647 1067 HA2 GLY 122 HA3 GLY 122 15.347 -4.051 9.916 1068 HA3 GLY 122 HA2 GLY 122 14.694 -2.422 10.060 1069 H ASP 123 H ASP 123 12.680 -2.152 10.820 1070 HA ASP 123 HA ASP 123 10.856 -4.452 10.805 1071 HB2 ASP 123 HB3 ASP 123 11.869 -4.255 13.063 1072 HB3 ASP 123 HB2 ASP 123 11.271 -2.605 13.172 1073 H TYR 124 H TYR 124 11.228 -1.995 9.199 1074 HA TYR 124 HA TYR 124 8.654 -0.674 9.732 1075 HB2 TYR 124 HB3 TYR 124 11.110 0.334 8.287 1076 HB3 TYR 124 HB2 TYR 124 9.571 1.188 8.319 1077 HD1 TYR 124 HD1 TYR 124 12.407 0.044 10.390 1078 HD2 TYR 124 HD2 TYR 124 8.914 2.463 10.216 1079 HE1 TYR 124 HE1 TYR 124 13.061 1.128 12.495 1080 HE2 TYR 124 HE2 TYR 124 9.556 3.559 12.323 1081 HH TYR 124 HH TYR 124 10.960 3.005 14.329 1082 H LEU 125 H LEU 125 7.107 -0.628 8.172 1083 HA LEU 125 HA LEU 125 7.499 -2.168 5.765 1084 HB2 LEU 125 HB3 LEU 125 5.384 -2.194 7.118 1085 HB3 LEU 125 HB2 LEU 125 5.134 -0.518 6.696 1086 HG LEU 125 HG LEU 125 3.828 -2.374 5.435 1087 HD11 LEU 125 HD11 LEU 125 5.215 -0.266 3.791 1088 HD12 LEU 125 HD12 LEU 125 3.857 0.048 4.870 1089 HD13 LEU 125 HD13 LEU 125 3.646 -1.012 3.480 1090 HD21 LEU 125 HD21 LEU 125 6.412 -2.428 3.884 1091 HD22 LEU 125 HD22 LEU 125 4.911 -3.254 3.465 1092 HD23 LEU 125 HD23 LEU 125 5.808 -3.734 4.905 1093 H VAL 126 H VAL 126 8.442 -1.258 4.059 1094 HA VAL 126 HA VAL 126 8.499 1.677 3.947 1095 HB VAL 126 HB VAL 126 10.422 -0.279 2.671 1096 HG11 VAL 126 HG11 VAL 126 10.171 1.769 1.376 1097 HG12 VAL 126 HG12 VAL 126 11.749 1.726 2.163 1098 HG13 VAL 126 HG13 VAL 126 10.462 2.735 2.822 1099 HG21 VAL 126 HG21 VAL 126 12.036 0.557 4.324 1100 HG22 VAL 126 HG22 VAL 126 10.661 -0.230 5.100 1101 HG23 VAL 126 HG23 VAL 126 10.765 1.530 5.064 1102 H MET 127 H MET 127 7.228 2.532 2.523 1103 HA MET 127 HA MET 127 6.000 0.905 0.488 1104 HB2 MET 127 HB3 MET 127 4.858 2.653 1.937 1105 HB3 MET 127 HB2 MET 127 5.652 3.860 0.936 1106 HG2 MET 127 HG3 MET 127 3.371 3.453 0.214 1107 HG3 MET 127 HG2 MET 127 4.531 2.988 -1.029 1108 HE1 MET 127 HE1 MET 127 1.351 2.136 -0.545 1109 HE2 MET 127 HE2 MET 127 1.427 0.504 -1.213 1110 HE3 MET 127 HE3 MET 127 2.263 1.831 -2.022 1111 H LYS 128 H LYS 128 6.681 0.751 -1.558 1112 HA LYS 128 HA LYS 128 8.623 2.741 -2.499 1113 HB2 LYS 128 HB3 LYS 128 9.791 0.704 -2.311 1114 HB3 LYS 128 HB2 LYS 128 8.430 -0.234 -2.897 1115 HG2 LYS 128 HG3 LYS 128 10.266 -0.136 -4.508 1116 HG3 LYS 128 HG2 LYS 128 8.784 0.579 -5.142 1117 HD2 LYS 128 HD3 LYS 128 9.634 2.798 -4.757 1118 HD3 LYS 128 HD2 LYS 128 11.062 2.151 -3.943 1119 HE2 LYS 128 HE3 LYS 128 11.490 2.851 -6.285 1120 HE3 LYS 128 HE2 LYS 128 11.843 1.151 -5.981 1121 HZ1 LYS 128 HZ1 LYS 128 10.690 1.356 -8.048 1122 HZ2 LYS 128 HZ2 LYS 128 9.443 2.250 -7.347 1123 HZ3 LYS 128 HZ3 LYS 128 9.637 0.613 -6.944 1124 H MET 129 H MET 129 7.670 4.071 -3.851 1125 HA MET 129 HA MET 129 5.844 2.986 -5.893 1126 HB2 MET 129 HB3 MET 129 5.487 5.624 -4.446 1127 HB3 MET 129 HB2 MET 129 4.407 4.934 -5.649 1128 HG2 MET 129 HG3 MET 129 3.609 3.314 -4.192 1129 HG3 MET 129 HG2 MET 129 4.993 3.464 -3.112 1130 HE1 MET 129 HE1 MET 129 2.699 6.231 -4.718 1131 HE2 MET 129 HE2 MET 129 1.563 6.538 -3.404 1132 HE3 MET 129 HE3 MET 129 1.557 4.979 -4.232 1133 H SER 130 H SER 130 5.958 4.108 -7.929 1134 HA SER 130 HA SER 130 7.819 6.276 -8.242 1135 HB2 SER 130 HB3 SER 130 9.171 4.769 -9.927 1136 HB3 SER 130 HB2 SER 130 9.561 4.755 -8.208 1137 HG SER 130 HG SER 130 7.609 2.967 -9.074 1138 H TRP 131 H TRP 131 7.194 7.488 -9.871 1139 HA TRP 131 HA TRP 131 5.874 6.263 -12.186 1140 HB2 TRP 131 HB3 TRP 131 4.145 7.011 -10.488 1141 HB3 TRP 131 HB2 TRP 131 4.704 8.659 -10.757 1142 HD1 TRP 131 HD1 TRP 131 3.372 9.940 -12.493 1143 HE1 TRP 131 HE1 TRP 131 1.835 9.345 -14.466 1144 HE3 TRP 131 HE3 TRP 131 3.900 4.864 -12.408 1145 HZ2 TRP 131 HZ2 TRP 131 0.969 7.018 -15.817 1146 HZ3 TRP 131 HZ3 TRP 131 2.690 3.523 -14.077 1147 HH2 TRP 131 HH2 TRP 131 1.254 4.579 -15.745 1148 H LYS 132 H LYS 132 6.343 7.236 -14.082 1149 HA LYS 132 HA LYS 132 7.701 8.310 -15.520 1150 HB2 LYS 132 HB3 LYS 132 6.545 10.470 -13.844 1151 HB3 LYS 132 HB2 LYS 132 7.874 10.908 -14.902 1152 HG2 LYS 132 HG3 LYS 132 5.760 11.348 -15.983 1153 HG3 LYS 132 HG2 LYS 132 6.611 10.055 -16.826 1154 HD2 LYS 132 HD3 LYS 132 5.216 8.401 -15.740 1155 HD3 LYS 132 HD2 LYS 132 4.402 9.661 -14.814 1156 HE2 LYS 132 HE3 LYS 132 3.018 9.002 -16.678 1157 HE3 LYS 132 HE2 LYS 132 3.593 10.649 -16.925 1158 HZ1 LYS 132 HZ1 LYS 132 5.243 9.835 -18.454 1159 HZ2 LYS 132 HZ2 LYS 132 3.722 9.283 -18.938 1160 HZ3 LYS 132 HZ3 LYS 132 4.791 8.231 -18.162 1161 H GLY 133 H GLY 133 9.075 6.991 -13.496 1162 HA2 GLY 133 HA3 GLY 133 11.312 6.752 -12.963 1163 HA3 GLY 133 HA2 GLY 133 11.614 8.318 -13.693 1164 H VAL 134 H VAL 134 9.272 9.124 -11.681 1165 HA VAL 134 HA VAL 134 11.167 9.985 -9.644 1166 HB VAL 134 HB VAL 134 8.223 10.643 -9.846 1167 HG11 VAL 134 HG11 VAL 134 10.448 11.932 -8.269 1168 HG12 VAL 134 HG12 VAL 134 9.164 10.922 -7.609 1169 HG13 VAL 134 HG13 VAL 134 8.775 12.483 -8.332 1170 HG21 VAL 134 HG21 VAL 134 9.408 11.442 -11.821 1171 HG22 VAL 134 HG22 VAL 134 10.613 12.221 -10.796 1172 HG23 VAL 134 HG23 VAL 134 8.945 12.791 -10.784 1173 H SER 135 H SER 135 11.603 8.471 -8.169 1174 HA SER 135 HA SER 135 9.519 6.709 -7.221 1175 HB2 SER 135 HB3 SER 135 12.362 6.725 -6.276 1176 HB3 SER 135 HB2 SER 135 11.240 5.386 -6.390 1177 HG SER 135 HG SER 135 11.891 5.031 -8.344 1178 H THR 136 H THR 136 8.969 6.501 -5.093 1179 HA THR 136 HA THR 136 9.972 8.460 -3.162 1180 HB THR 136 HB THR 136 7.917 9.467 -3.953 1181 HG1 THR 136 HG1 THR 136 8.281 9.489 -1.655 1182 HG21 THR 136 HG21 THR 136 6.540 6.874 -3.262 1183 HG22 THR 136 HG22 THR 136 6.886 7.440 -4.896 1184 HG23 THR 136 HG23 THR 136 5.770 8.340 -3.870 1185 H SER 137 H SER 137 9.819 7.757 -0.991 1186 HA SER 137 HA SER 137 8.946 4.993 -0.586 1187 HB2 SER 137 HB3 SER 137 11.611 6.074 0.366 1188 HB3 SER 137 HB2 SER 137 10.993 4.438 0.606 1189 HG SER 137 HG SER 137 10.829 4.789 -1.942 1190 H ARG 138 H ARG 138 7.206 5.602 0.629 1191 HA ARG 138 HA ARG 138 7.487 7.437 2.833 1192 HB2 ARG 138 HB3 ARG 138 5.171 5.555 2.462 1193 HB3 ARG 138 HB2 ARG 138 5.181 7.143 3.217 1194 HG2 ARG 138 HG3 ARG 138 5.727 8.047 0.893 1195 HG3 ARG 138 HG2 ARG 138 5.246 6.456 0.301 1196 HD2 ARG 138 HD3 ARG 138 3.283 7.691 0.156 1197 HD3 ARG 138 HD2 ARG 138 3.106 6.833 1.687 1198 HE ARG 138 HE ARG 138 4.304 9.456 1.921 1199 HH11 ARG 138 HH11 ARG 138 1.327 7.609 1.953 1200 HH12 ARG 138 HH12 ARG 138 0.413 8.858 2.732 1201 HH21 ARG 138 HH21 ARG 138 3.114 11.089 2.947 1202 HH22 ARG 138 HH22 ARG 138 1.434 10.846 3.311 1203 H TYR 139 H TYR 139 7.700 6.914 4.982 1204 HA TYR 139 HA TYR 139 8.527 4.143 5.428 1205 HB2 TYR 139 HB3 TYR 139 9.240 6.703 6.843 1206 HB3 TYR 139 HB2 TYR 139 9.651 5.114 7.484 1207 HD1 TYR 139 HD1 TYR 139 10.429 7.648 5.023 1208 HD2 TYR 139 HD2 TYR 139 11.234 3.649 6.234 1209 HE1 TYR 139 HE1 TYR 139 12.456 7.642 3.639 1210 HE2 TYR 139 HE2 TYR 139 13.266 3.630 4.851 1211 HH TYR 139 HH TYR 139 14.085 4.898 2.772 1212 H TYR 140 H TYR 140 6.988 2.940 6.150 1213 HA TYR 140 HA TYR 140 5.105 4.010 8.126 1214 HB2 TYR 140 HB3 TYR 140 4.930 1.573 6.337 1215 HB3 TYR 140 HB2 TYR 140 3.739 1.986 7.564 1216 HD1 TYR 140 HD1 TYR 140 2.528 4.250 7.319 1217 HD2 TYR 140 HD2 TYR 140 4.766 2.436 4.186 1218 HE1 TYR 140 HE1 TYR 140 1.345 5.646 5.662 1219 HE2 TYR 140 HE2 TYR 140 3.587 3.813 2.540 1220 HH TYR 140 HH TYR 140 1.746 6.515 3.343 1221 H LYS 141 H LYS 141 5.025 3.185 10.122 1222 HA LYS 141 HA LYS 141 6.801 0.922 10.759 1223 HB2 LYS 141 HB3 LYS 141 6.996 1.769 12.981 1224 HB3 LYS 141 HB2 LYS 141 7.412 3.056 11.855 1225 HG2 LYS 141 HG3 LYS 141 5.421 4.196 12.240 1226 HG3 LYS 141 HG2 LYS 141 4.652 2.780 12.966 1227 HD2 LYS 141 HD3 LYS 141 5.312 4.449 14.633 1228 HD3 LYS 141 HD2 LYS 141 6.138 2.907 14.858 1229 HE2 LYS 141 HE3 LYS 141 8.068 3.771 13.624 1230 HE3 LYS 141 HE2 LYS 141 7.267 5.333 13.484 1231 HZ1 LYS 141 HZ1 LYS 141 8.832 5.367 15.290 1232 HZ2 LYS 141 HZ2 LYS 141 8.100 4.024 16.012 1233 HZ3 LYS 141 HZ3 LYS 141 7.263 5.492 15.911 1234 H LYS 142 H LYS 142 5.873 -0.485 12.551 1235 HA LYS 142 HA LYS 142 3.222 -1.200 12.299 1236 HB2 LYS 142 HB3 LYS 142 5.152 -2.313 13.610 1237 HB3 LYS 142 HB2 LYS 142 4.637 -1.305 14.953 1238 HG2 LYS 142 HG3 LYS 142 2.437 -2.339 14.909 1239 HG3 LYS 142 HG2 LYS 142 2.917 -3.324 13.525 1240 HD2 LYS 142 HD3 LYS 142 4.729 -4.300 14.919 1241 HD3 LYS 142 HD2 LYS 142 4.108 -3.396 16.298 1242 HE2 LYS 142 HE3 LYS 142 3.305 -5.679 16.365 1243 HE3 LYS 142 HE2 LYS 142 1.962 -4.575 16.080 1244 HZ1 LYS 142 HZ1 LYS 142 1.892 -6.564 14.670 1245 HZ2 LYS 142 HZ2 LYS 142 3.357 -6.107 13.954 1246 HZ3 LYS 142 HZ3 LYS 142 1.984 -5.140 13.766 1247 H GLN 143 H GLN 143 1.316 -0.755 13.730 1248 HA GLN 143 HA GLN 143 1.139 1.868 14.778 1249 HB2 GLN 143 HB3 GLN 143 -0.561 -0.598 15.093 1250 HB3 GLN 143 HB2 GLN 143 -0.954 0.894 15.929 1251 HG2 GLN 143 HG3 GLN 143 -0.556 0.826 12.970 1252 HG3 GLN 143 HG2 GLN 143 -2.097 0.380 13.702 1253 HE21 GLN 143 HE21 GLN 143 -1.341 2.608 11.968 1254 HE22 GLN 143 HE22 GLN 143 -1.847 4.035 12.804 1255 H21 OLA1001 H21 OLA1001 0.981 6.279 -1.431 1256 H22 OLA1001 H22 OLA1001 0.757 6.808 0.236 1257 H31 OLA1001 H31 OLA1001 -1.365 6.326 -1.845 1258 H32 OLA1001 H32 OLA1001 -0.918 7.857 -1.091 1259 H41 OLA1001 H41 OLA1001 -1.591 6.747 1.119 1260 H42 OLA1001 H42 OLA1001 -2.375 5.528 0.116 1261 H51 OLA1001 H51 OLA1001 -4.010 7.171 0.730 1262 H52 OLA1001 H52 OLA1001 -3.663 7.344 -0.990 1263 H61 OLA1001 H61 OLA1001 -2.329 9.261 -0.627 1264 H62 OLA1001 H62 OLA1001 -2.291 8.992 1.113 1265 H71 OLA1001 H71 OLA1001 -3.797 10.798 0.642 1266 H72 OLA1001 H72 OLA1001 -4.724 9.409 1.197 1267 H81 OLA1001 H81 OLA1001 -5.791 9.162 -0.762 1268 H82 OLA1001 H82 OLA1001 -4.369 9.579 -1.709 1269 H9 OLA1001 H9 OLA1001 -5.089 12.020 -0.582 1270 H10 OLA1001 H10 OLA1001 -6.854 12.518 -2.079 1271 H111 OLA1001 H111 OLA1001 -8.324 10.682 -2.684 1272 H112 OLA1001 H112 OLA1001 -7.034 9.512 -2.469 1273 H121 OLA1001 H121 OLA1001 -7.090 11.595 -4.642 1274 H122 OLA1001 H122 OLA1001 -7.636 9.932 -4.834 1275 H131 OLA1001 H131 OLA1001 -4.866 10.647 -3.908 1276 H132 OLA1001 H132 OLA1001 -5.283 10.423 -5.615 1277 H141 OLA1001 H141 OLA1001 -6.118 8.148 -5.057 1278 H142 OLA1001 H142 OLA1001 -5.533 8.381 -3.408 1279 H151 OLA1001 H151 OLA1001 -3.887 8.313 -5.928 1280 H152 OLA1001 H152 OLA1001 -3.916 7.105 -4.642 1281 H161 OLA1001 H161 OLA1001 -3.057 8.820 -3.071 1282 H162 OLA1001 H162 OLA1001 -2.932 9.941 -4.428 1283 H171 OLA1001 H171 OLA1001 -1.403 8.381 -5.554 1284 H172 OLA1001 H172 OLA1001 -1.485 7.316 -4.150 1285 H181 OLA1001 H181 OLA1001 0.353 8.410 -3.505 1286 H182 OLA1001 H182 OLA1001 -0.789 9.661 -2.987 1287 H183 OLA1001 H183 OLA1001 0.020 9.791 -4.561 Start of MODEL 10 1 H1 MET -11 H1 MET -11 12.746 -34.123 -9.358 2 H2 MET -11 H2 MET -11 11.109 -34.043 -8.951 3 H3 MET -11 H3 MET -11 11.981 -35.459 -8.665 4 HA MET -11 HA MET -11 11.597 -34.214 -6.637 5 HB2 MET -11 HB3 MET -11 14.016 -34.075 -5.925 6 HB3 MET -11 HB2 MET -11 13.512 -35.612 -6.606 7 HG2 MET -11 HG3 MET -11 15.657 -35.124 -7.470 8 HG3 MET -11 HG2 MET -11 14.504 -34.886 -8.777 9 HE1 MET -11 HE1 MET -11 17.495 -33.798 -8.920 10 HE2 MET -11 HE2 MET -11 17.205 -32.199 -9.602 11 HE3 MET -11 HE3 MET -11 16.292 -33.588 -10.191 12 H ARG -10 H ARG -10 11.986 -32.277 -9.220 13 HA ARG -10 HA ARG -10 13.230 -30.007 -7.966 14 HB2 ARG -10 HB3 ARG -10 11.691 -30.306 -10.549 15 HB3 ARG -10 HB2 ARG -10 12.449 -28.807 -10.031 16 HG2 ARG -10 HG3 ARG -10 14.626 -29.798 -10.142 17 HG3 ARG -10 HG2 ARG -10 13.935 -31.391 -10.449 18 HD2 ARG -10 HD3 ARG -10 14.779 -30.392 -12.505 19 HD3 ARG -10 HD2 ARG -10 13.029 -30.593 -12.571 20 HE ARG -10 HE ARG -10 13.707 -28.003 -11.639 21 HH11 ARG -10 HH11 ARG -10 13.572 -29.942 -14.544 22 HH12 ARG -10 HH12 ARG -10 13.373 -28.579 -15.598 23 HH21 ARG -10 HH21 ARG -10 13.432 -26.208 -13.014 24 HH22 ARG -10 HH22 ARG -10 13.274 -26.451 -14.726 25 H GLY -9 H GLY -9 9.920 -30.753 -9.047 26 HA2 GLY -9 HA3 GLY -9 8.862 -28.565 -7.456 27 HA3 GLY -9 HA2 GLY -9 7.938 -29.659 -8.477 28 H SER -8 H SER -8 8.974 -28.952 -5.314 29 HA SER -8 HA SER -8 8.719 -31.466 -4.083 30 HB2 SER -8 HB3 SER -8 8.189 -28.725 -2.909 31 HB3 SER -8 HB2 SER -8 8.529 -30.195 -1.997 32 HG SER -8 HG SER -8 10.463 -29.905 -3.776 33 H HIS -7 H HIS -7 7.012 -32.632 -3.466 34 HA HIS -7 HA HIS -7 4.412 -32.043 -4.379 35 HB2 HIS -7 HB3 HIS -7 5.385 -34.067 -2.359 36 HB3 HIS -7 HB2 HIS -7 3.716 -33.973 -2.912 37 HD1 HIS -7 HD1 HIS -7 5.873 -36.352 -3.376 38 HD2 HIS -7 HD2 HIS -7 4.512 -33.569 -6.145 39 HE1 HIS -7 HE1 HIS -7 6.247 -37.401 -5.629 40 HE2 HIS -7 HE2 HIS -7 5.195 -35.794 -7.262 41 H HIS -6 H HIS -6 6.025 -31.543 -1.304 42 HA HIS -6 HA HIS -6 3.665 -30.252 -0.207 43 HB2 HIS -6 HB3 HIS -6 5.301 -31.479 1.266 44 HB3 HIS -6 HB2 HIS -6 6.489 -30.232 0.892 45 HD1 HIS -6 HD1 HIS -6 6.687 -29.093 3.130 46 HD2 HIS -6 HD2 HIS -6 2.737 -29.546 1.913 47 HE1 HIS -6 HE1 HIS -6 5.312 -27.778 4.776 48 HE2 HIS -6 HE2 HIS -6 2.935 -28.008 3.978 49 H HIS -5 H HIS -5 3.152 -28.485 -1.298 50 HA HIS -5 HA HIS -5 4.968 -27.058 -2.915 51 HB2 HIS -5 HB3 HIS -5 2.175 -26.327 -2.063 52 HB3 HIS -5 HB2 HIS -5 3.092 -25.561 -3.354 53 HD1 HIS -5 HD1 HIS -5 3.747 -27.227 -5.409 54 HD2 HIS -5 HD2 HIS -5 0.743 -28.517 -2.840 55 HE1 HIS -5 HE1 HIS -5 2.521 -29.036 -6.653 56 HE2 HIS -5 HE2 HIS -5 0.787 -29.883 -5.038 57 H HIS -4 H HIS -4 6.632 -26.156 -1.777 58 HA HIS -4 HA HIS -4 6.144 -24.231 0.328 59 HB2 HIS -4 HB3 HIS -4 8.656 -24.679 -1.312 60 HB3 HIS -4 HB2 HIS -4 8.544 -23.751 0.177 61 HD1 HIS -4 HD1 HIS -4 9.900 -26.735 -0.835 62 HD2 HIS -4 HD2 HIS -4 7.286 -25.773 2.248 63 HE1 HIS -4 HE1 HIS -4 10.099 -28.607 0.829 64 HE2 HIS -4 HE2 HIS -4 8.701 -27.866 2.789 65 H HIS -3 H HIS -3 6.802 -24.301 -3.088 66 HA HIS -3 HA HIS -3 5.665 -21.629 -3.338 67 HB2 HIS -3 HB3 HIS -3 7.363 -20.999 -5.030 68 HB3 HIS -3 HB2 HIS -3 8.069 -21.235 -3.439 69 HD1 HIS -3 HD1 HIS -3 8.068 -22.613 -6.902 70 HD2 HIS -3 HD2 HIS -3 9.808 -23.438 -3.221 71 HE1 HIS -3 HE1 HIS -3 9.906 -24.261 -7.377 72 HE2 HIS -3 HE2 HIS -3 11.056 -24.600 -5.163 73 H HIS -2 H HIS -2 4.031 -21.728 -4.745 74 HA HIS -2 HA HIS -2 4.180 -23.664 -6.940 75 HB2 HIS -2 HB3 HIS -2 2.957 -24.737 -5.086 76 HB3 HIS -2 HB2 HIS -2 1.820 -23.394 -5.059 77 HD1 HIS -2 HD1 HIS -2 -0.274 -24.585 -5.744 78 HD2 HIS -2 HD2 HIS -2 2.900 -25.325 -8.330 79 HE1 HIS -2 HE1 HIS -2 -1.256 -25.858 -7.679 80 HE2 HIS -2 HE2 HIS -2 0.693 -26.364 -9.190 81 H GLY -1 H GLY -1 4.740 -21.367 -7.698 82 HA2 GLY -1 HA3 GLY -1 4.043 -19.925 -9.402 83 HA3 GLY -1 HA2 GLY -1 2.375 -20.335 -9.038 84 H SER 0 H SER 0 1.631 -19.582 -6.835 85 HA SER 0 HA SER 0 2.385 -16.774 -6.530 86 HB2 SER 0 HB3 SER 0 0.118 -18.268 -5.201 87 HB3 SER 0 HB2 SER 0 0.318 -16.522 -5.345 88 HG SER 0 HG SER 0 0.324 -17.057 -7.738 89 H LYS 1 H LYS 1 3.647 -16.129 -4.938 90 HA LYS 1 HA LYS 1 4.458 -17.969 -2.856 91 HB2 LYS 1 HB3 LYS 1 5.199 -15.099 -3.413 92 HB3 LYS 1 HB2 LYS 1 5.911 -16.070 -2.134 93 HG2 LYS 1 HG3 LYS 1 6.736 -17.645 -3.856 94 HG3 LYS 1 HG2 LYS 1 6.112 -16.555 -5.095 95 HD2 LYS 1 HD3 LYS 1 7.563 -14.778 -4.296 96 HD3 LYS 1 HD2 LYS 1 8.154 -15.817 -3.002 97 HE2 LYS 1 HE3 LYS 1 8.500 -16.288 -5.960 98 HE3 LYS 1 HE2 LYS 1 9.742 -15.717 -4.848 99 HZ1 LYS 1 HZ1 LYS 1 9.472 -17.826 -3.619 100 HZ2 LYS 1 HZ2 LYS 1 10.040 -18.038 -5.197 101 HZ3 LYS 1 HZ3 LYS 1 8.425 -18.371 -4.829 102 H THR 2 H THR 2 3.469 -18.131 -0.962 103 HA THR 2 HA THR 2 1.159 -16.624 -0.338 104 HB THR 2 HB THR 2 2.780 -18.328 1.563 105 HG1 THR 2 HG1 THR 2 1.040 -18.982 -0.560 106 HG21 THR 2 HG21 THR 2 1.008 -17.022 2.629 107 HG22 THR 2 HG22 THR 2 0.596 -18.736 2.620 108 HG23 THR 2 HG23 THR 2 -0.163 -17.642 1.464 109 H LEU 3 H LEU 3 0.826 -15.047 1.260 110 HA LEU 3 HA LEU 3 2.772 -13.041 1.293 111 HB2 LEU 3 HB3 LEU 3 0.097 -13.209 1.829 112 HB3 LEU 3 HB2 LEU 3 0.764 -12.926 3.421 113 HG LEU 3 HG LEU 3 0.669 -11.119 1.056 114 HD11 LEU 3 HD11 LEU 3 -0.952 -10.915 2.842 115 HD12 LEU 3 HD12 LEU 3 0.099 -9.498 2.774 116 HD13 LEU 3 HD13 LEU 3 0.355 -10.726 4.011 117 HD21 LEU 3 HD21 LEU 3 2.828 -11.099 3.139 118 HD22 LEU 3 HD22 LEU 3 2.347 -9.658 2.243 119 HD23 LEU 3 HD23 LEU 3 2.992 -11.051 1.383 120 HA PRO 4 HA PRO 4 5.336 -14.501 4.725 121 HB2 PRO 4 HB3 PRO 4 6.396 -11.758 4.339 122 HB3 PRO 4 HB2 PRO 4 7.261 -13.296 4.399 123 HG2 PRO 4 HG3 PRO 4 6.901 -11.988 2.093 124 HG3 PRO 4 HG2 PRO 4 6.864 -13.759 2.172 125 HD2 PRO 4 HD3 PRO 4 4.597 -11.823 1.933 126 HD3 PRO 4 HD2 PRO 4 4.796 -13.436 1.216 127 H ASP 5 H ASP 5 4.758 -14.339 6.770 128 HA ASP 5 HA ASP 5 2.802 -12.682 7.798 129 HB2 ASP 5 HB3 ASP 5 3.525 -14.779 8.848 130 HB3 ASP 5 HB2 ASP 5 5.055 -14.033 9.293 131 H LYS 6 H LYS 6 6.208 -12.073 7.466 132 HA LYS 6 HA LYS 6 6.565 -9.998 9.268 133 HB2 LYS 6 HB3 LYS 6 7.827 -10.409 6.559 134 HB3 LYS 6 HB2 LYS 6 8.407 -9.278 7.774 135 HG2 LYS 6 HG3 LYS 6 8.869 -11.103 9.298 136 HG3 LYS 6 HG2 LYS 6 8.211 -12.261 8.140 137 HD2 LYS 6 HD3 LYS 6 10.651 -12.235 8.065 138 HD3 LYS 6 HD2 LYS 6 9.961 -11.664 6.546 139 HE2 LYS 6 HE3 LYS 6 10.345 -9.352 7.237 140 HE3 LYS 6 HE2 LYS 6 11.017 -9.919 8.764 141 HZ1 LYS 6 HZ1 LYS 6 12.797 -10.984 7.562 142 HZ2 LYS 6 HZ2 LYS 6 12.737 -9.345 7.158 143 HZ3 LYS 6 HZ3 LYS 6 12.139 -10.501 6.079 144 H PHE 7 H PHE 7 4.697 -9.988 6.356 145 HA PHE 7 HA PHE 7 4.768 -7.067 6.220 146 HB2 PHE 7 HB3 PHE 7 3.577 -9.155 4.396 147 HB3 PHE 7 HB2 PHE 7 3.289 -7.432 4.186 148 HD1 PHE 7 HD1 PHE 7 5.621 -6.021 4.295 149 HD2 PHE 7 HD2 PHE 7 5.169 -10.068 3.055 150 HE1 PHE 7 HE1 PHE 7 7.698 -5.852 2.989 151 HE2 PHE 7 HE2 PHE 7 7.248 -9.903 1.752 152 HZ PHE 7 HZ PHE 7 8.500 -7.748 1.705 153 H LEU 8 H LEU 8 3.225 -9.079 8.167 154 HA LEU 8 HA LEU 8 0.532 -8.044 7.689 155 HB2 LEU 8 HB3 LEU 8 1.495 -10.322 9.410 156 HB3 LEU 8 HB2 LEU 8 -0.180 -9.831 9.248 157 HG LEU 8 HG LEU 8 1.556 -10.851 7.001 158 HD11 LEU 8 HD11 LEU 8 0.230 -12.850 7.082 159 HD12 LEU 8 HD12 LEU 8 -0.740 -12.198 8.404 160 HD13 LEU 8 HD13 LEU 8 0.966 -12.570 8.661 161 HD21 LEU 8 HD21 LEU 8 -0.655 -10.972 5.816 162 HD22 LEU 8 HD22 LEU 8 -0.028 -9.350 6.098 163 HD23 LEU 8 HD23 LEU 8 -1.319 -9.983 7.118 164 H GLY 9 H GLY 9 -0.619 -6.963 9.202 165 HA2 GLY 9 HA3 GLY 9 -0.732 -6.470 11.698 166 HA3 GLY 9 HA2 GLY 9 0.923 -5.919 11.489 167 H THR 10 H THR 10 -0.516 -4.077 12.544 168 HA THR 10 HA THR 10 -1.498 -2.330 10.402 169 HB THR 10 HB THR 10 -1.895 -2.159 13.397 170 HG1 THR 10 HG1 THR 10 -3.100 -3.817 12.267 171 HG21 THR 10 HG21 THR 10 -3.423 -0.333 12.934 172 HG22 THR 10 HG22 THR 10 -3.092 -0.466 11.207 173 HG23 THR 10 HG23 THR 10 -1.820 0.049 12.309 174 H PHE 11 H PHE 11 -0.230 -0.734 9.751 175 HA PHE 11 HA PHE 11 2.005 0.113 11.486 176 HB2 PHE 11 HB3 PHE 11 1.913 -0.001 8.459 177 HB3 PHE 11 HB2 PHE 11 3.292 0.500 9.429 178 HD1 PHE 11 HD1 PHE 11 4.628 -1.136 10.629 179 HD2 PHE 11 HD2 PHE 11 1.319 -2.328 8.231 180 HE1 PHE 11 HE1 PHE 11 5.428 -3.463 10.686 181 HE2 PHE 11 HE2 PHE 11 2.116 -4.653 8.283 182 HZ PHE 11 HZ PHE 11 4.188 -5.218 9.488 183 H LYS 12 H LYS 12 2.181 2.324 11.928 184 HA LYS 12 HA LYS 12 0.352 4.049 10.409 185 HB2 LYS 12 HB3 LYS 12 0.809 5.758 12.118 186 HB3 LYS 12 HB2 LYS 12 0.171 4.278 12.803 187 HG2 LYS 12 HG3 LYS 12 1.803 4.762 14.309 188 HG3 LYS 12 HG2 LYS 12 2.705 3.731 13.201 189 HD2 LYS 12 HD3 LYS 12 4.040 5.663 13.743 190 HD3 LYS 12 HD2 LYS 12 3.536 5.773 12.057 191 HE2 LYS 12 HE3 LYS 12 3.336 7.933 13.139 192 HE3 LYS 12 HE2 LYS 12 1.743 7.321 12.710 193 HZ1 LYS 12 HZ1 LYS 12 1.438 6.620 15.006 194 HZ2 LYS 12 HZ2 LYS 12 1.760 8.278 14.924 195 HZ3 LYS 12 HZ3 LYS 12 2.970 7.208 15.410 196 H LEU 13 H LEU 13 0.999 5.465 8.934 197 HA LEU 13 HA LEU 13 3.590 5.622 7.924 198 HB2 LEU 13 HB3 LEU 13 1.677 6.342 6.635 199 HB3 LEU 13 HB2 LEU 13 1.326 7.613 7.789 200 HG LEU 13 HG LEU 13 3.522 8.668 7.168 201 HD11 LEU 13 HD11 LEU 13 4.545 8.002 5.053 202 HD12 LEU 13 HD12 LEU 13 3.437 6.632 4.949 203 HD13 LEU 13 HD13 LEU 13 4.625 6.711 6.251 204 HD21 LEU 13 HD21 LEU 13 2.686 9.617 5.084 205 HD22 LEU 13 HD22 LEU 13 1.401 9.476 6.283 206 HD23 LEU 13 HD23 LEU 13 1.503 8.316 4.959 207 H GLU 14 H GLU 14 5.376 6.644 8.556 208 HA GLU 14 HA GLU 14 5.136 8.640 10.693 209 HB2 GLU 14 HB3 GLU 14 6.578 6.711 11.185 210 HB3 GLU 14 HB2 GLU 14 7.555 7.079 9.768 211 HG2 GLU 14 HG3 GLU 14 8.126 9.259 10.772 212 HG3 GLU 14 HG2 GLU 14 7.221 8.802 12.213 213 H ARG 15 H ARG 15 6.811 8.037 7.603 214 HA ARG 15 HA ARG 15 6.891 10.871 7.042 215 HB2 ARG 15 HB3 ARG 15 9.307 11.017 6.893 216 HB3 ARG 15 HB2 ARG 15 8.861 10.496 8.514 217 HG2 ARG 15 HG3 ARG 15 9.330 8.172 7.875 218 HG3 ARG 15 HG2 ARG 15 9.839 8.734 6.282 219 HD2 ARG 15 HD3 ARG 15 11.800 8.435 7.554 220 HD3 ARG 15 HD2 ARG 15 11.528 10.172 7.458 221 HE ARG 15 HE ARG 15 10.573 8.727 9.826 222 HH11 ARG 15 HH11 ARG 15 12.829 10.992 8.390 223 HH12 ARG 15 HH12 ARG 15 13.428 11.550 9.917 224 HH21 ARG 15 HH21 ARG 15 11.360 9.439 11.818 225 HH22 ARG 15 HH22 ARG 15 12.593 10.661 11.885 226 H ASP 16 H ASP 16 8.423 11.093 4.953 227 HA ASP 16 HA ASP 16 8.237 8.769 3.223 228 HB2 ASP 16 HB3 ASP 16 6.994 9.899 1.468 229 HB3 ASP 16 HB2 ASP 16 6.048 9.887 2.950 230 H GLU 17 H GLU 17 9.030 9.510 0.917 231 HA GLU 17 HA GLU 17 11.120 11.530 1.082 232 HB2 GLU 17 HB3 GLU 17 12.143 9.421 1.906 233 HB3 GLU 17 HB2 GLU 17 11.707 8.643 0.392 234 HG2 GLU 17 HG3 GLU 17 13.095 10.463 -0.737 235 HG3 GLU 17 HG2 GLU 17 13.726 10.795 0.875 236 H ASN 18 H ASN 18 10.698 12.731 -0.690 237 HA ASN 18 HA ASN 18 10.626 13.318 -2.894 238 HB2 ASN 18 HB3 ASN 18 12.256 11.287 -3.045 239 HB3 ASN 18 HB2 ASN 18 10.879 10.446 -3.744 240 HD21 ASN 18 HD21 ASN 18 11.772 10.209 -5.748 241 HD22 ASN 18 HD22 ASN 18 12.070 11.535 -6.820 242 H PHE 19 H PHE 19 8.298 12.449 -1.334 243 HA PHE 19 HA PHE 19 6.552 10.952 -3.049 244 HB2 PHE 19 HB3 PHE 19 6.423 10.974 -0.534 245 HB3 PHE 19 HB2 PHE 19 5.787 12.609 -0.640 246 HD1 PHE 19 HD1 PHE 19 5.055 9.528 -2.600 247 HD2 PHE 19 HD2 PHE 19 3.570 12.561 -0.018 248 HE1 PHE 19 HE1 PHE 19 2.786 8.629 -2.868 249 HE2 PHE 19 HE2 PHE 19 1.293 11.669 -0.269 250 HZ PHE 19 HZ PHE 19 0.888 9.657 -1.626 251 H ASP 20 H ASP 20 6.944 14.366 -2.212 252 HA ASP 20 HA ASP 20 4.862 15.529 -3.554 253 HB2 ASP 20 HB3 ASP 20 6.491 16.774 -2.210 254 HB3 ASP 20 HB2 ASP 20 7.728 16.492 -3.432 255 H GLU 21 H GLU 21 8.084 14.974 -4.936 256 HA GLU 21 HA GLU 21 7.579 15.621 -7.567 257 HB2 GLU 21 HB3 GLU 21 9.358 13.377 -6.593 258 HB3 GLU 21 HB2 GLU 21 9.454 14.163 -8.162 259 HG2 GLU 21 HG3 GLU 21 9.899 15.522 -5.523 260 HG3 GLU 21 HG2 GLU 21 11.172 14.917 -6.576 261 H TYR 22 H TYR 22 7.077 12.497 -5.947 262 HA TYR 22 HA TYR 22 6.233 11.027 -8.166 263 HB2 TYR 22 HB3 TYR 22 6.734 9.948 -6.058 264 HB3 TYR 22 HB2 TYR 22 5.412 10.799 -5.266 265 HD1 TYR 22 HD1 TYR 22 3.211 9.933 -5.316 266 HD2 TYR 22 HD2 TYR 22 6.204 8.225 -7.809 267 HE1 TYR 22 HE1 TYR 22 1.695 8.072 -5.852 268 HE2 TYR 22 HE2 TYR 22 4.698 6.361 -8.351 269 HH TYR 22 HH TYR 22 2.777 5.256 -7.585 270 H LEU 23 H LEU 23 4.403 13.166 -6.018 271 HA LEU 23 HA LEU 23 1.830 12.509 -6.968 272 HB2 LEU 23 HB3 LEU 23 2.828 15.096 -5.772 273 HB3 LEU 23 HB2 LEU 23 1.139 14.674 -5.992 274 HG LEU 23 HG LEU 23 3.080 13.193 -4.217 275 HD11 LEU 23 HD11 LEU 23 2.528 15.416 -3.354 276 HD12 LEU 23 HD12 LEU 23 1.809 14.139 -2.371 277 HD13 LEU 23 HD13 LEU 23 0.811 15.046 -3.507 278 HD21 LEU 23 HD21 LEU 23 0.102 12.875 -4.578 279 HD22 LEU 23 HD22 LEU 23 1.121 11.988 -3.441 280 HD23 LEU 23 HD23 LEU 23 1.335 11.765 -5.174 281 H LYS 24 H LYS 24 4.133 15.000 -7.944 282 HA LYS 24 HA LYS 24 2.462 16.205 -9.890 283 HB2 LYS 24 HB3 LYS 24 5.468 16.179 -9.595 284 HB3 LYS 24 HB2 LYS 24 4.593 17.196 -10.731 285 HG2 LYS 24 HG3 LYS 24 3.461 18.312 -8.893 286 HG3 LYS 24 HG2 LYS 24 4.286 17.267 -7.738 287 HD2 LYS 24 HD3 LYS 24 5.691 19.126 -9.649 288 HD3 LYS 24 HD2 LYS 24 5.303 19.530 -7.978 289 HE2 LYS 24 HE3 LYS 24 6.647 17.612 -7.231 290 HE3 LYS 24 HE2 LYS 24 7.068 17.275 -8.908 291 HZ1 LYS 24 HZ1 LYS 24 7.665 19.838 -7.548 292 HZ2 LYS 24 HZ2 LYS 24 8.224 19.329 -9.062 293 HZ3 LYS 24 HZ3 LYS 24 8.763 18.553 -7.652 294 H ALA 25 H ALA 25 4.915 13.687 -10.027 295 HA ALA 25 HA ALA 25 4.938 13.286 -12.808 296 HB1 ALA 25 HB1 ALA 25 6.636 12.378 -11.284 297 HB2 ALA 25 HB2 ALA 25 5.954 11.132 -12.331 298 HB3 ALA 25 HB3 ALA 25 5.445 11.245 -10.646 299 H ARG 26 H ARG 26 2.925 11.910 -10.277 300 HA ARG 26 HA ARG 26 1.540 10.102 -12.008 301 HB2 ARG 26 HB3 ARG 26 1.198 11.009 -9.182 302 HB3 ARG 26 HB2 ARG 26 -0.112 10.135 -9.969 303 HG2 ARG 26 HG3 ARG 26 2.691 9.076 -9.927 304 HG3 ARG 26 HG2 ARG 26 1.557 8.784 -8.606 305 HD2 ARG 26 HD3 ARG 26 0.943 8.140 -11.482 306 HD3 ARG 26 HD2 ARG 26 1.675 6.983 -10.370 307 HE ARG 26 HE ARG 26 -0.382 7.387 -8.953 308 HH11 ARG 26 HH11 ARG 26 -0.434 7.646 -12.459 309 HH12 ARG 26 HH12 ARG 26 -2.118 7.264 -12.581 310 HH21 ARG 26 HH21 ARG 26 -2.582 6.895 -9.119 311 HH22 ARG 26 HH22 ARG 26 -3.350 6.857 -10.676 312 H GLY 27 H GLY 27 1.366 13.426 -11.644 313 HA2 GLY 27 HA3 GLY 27 0.114 14.713 -13.177 314 HA3 GLY 27 HA2 GLY 27 -1.041 13.397 -13.305 315 H TYR 28 H TYR 28 -0.203 14.051 -10.080 316 HA TYR 28 HA TYR 28 -2.835 15.025 -9.537 317 HB2 TYR 28 HB3 TYR 28 -0.409 14.624 -7.784 318 HB3 TYR 28 HB2 TYR 28 -1.937 15.250 -7.174 319 HD1 TYR 28 HD1 TYR 28 -0.055 12.310 -7.938 320 HD2 TYR 28 HD2 TYR 28 -4.014 13.793 -7.470 321 HE1 TYR 28 HE1 TYR 28 -0.873 10.013 -7.620 322 HE2 TYR 28 HE2 TYR 28 -4.843 11.503 -7.153 323 HH TYR 28 HH TYR 28 -2.767 8.843 -6.637 324 H GLY 29 H GLY 29 -3.492 17.042 -9.576 325 HA2 GLY 29 HA3 GLY 29 -1.620 19.208 -9.963 326 HA3 GLY 29 HA2 GLY 29 -3.374 19.330 -9.924 327 H TRP 30 H TRP 30 -2.460 21.316 -8.660 328 HA TRP 30 HA TRP 30 -1.280 21.181 -6.197 329 HB2 TRP 30 HB3 TRP 30 -1.628 23.347 -7.073 330 HB3 TRP 30 HB2 TRP 30 -3.361 23.086 -7.266 331 HD1 TRP 30 HD1 TRP 30 -0.741 23.888 -4.578 332 HE1 TRP 30 HE1 TRP 30 -1.951 24.782 -2.488 333 HE3 TRP 30 HE3 TRP 30 -5.583 23.123 -6.037 334 HZ2 TRP 30 HZ2 TRP 30 -4.602 25.101 -1.590 335 HZ3 TRP 30 HZ3 TRP 30 -7.392 23.756 -4.501 336 HH2 TRP 30 HH2 TRP 30 -6.908 24.728 -2.319 337 H ILE 31 H ILE 31 -4.721 20.802 -6.923 338 HA ILE 31 HA ILE 31 -5.789 20.984 -4.377 339 HB ILE 31 HB ILE 31 -6.717 19.142 -6.581 340 HG12 ILE 31 HG13 ILE 31 -8.500 20.969 -6.808 341 HG13 ILE 31 HG12 ILE 31 -7.404 21.983 -5.873 342 HG21 ILE 31 HG21 ILE 31 -8.058 20.009 -4.043 343 HG22 ILE 31 HG22 ILE 31 -7.612 18.368 -4.527 344 HG23 ILE 31 HG23 ILE 31 -8.895 19.228 -5.385 345 HD11 ILE 31 HD11 ILE 31 -5.752 21.891 -7.525 346 HD12 ILE 31 HD12 ILE 31 -7.268 22.186 -8.376 347 HD13 ILE 31 HD13 ILE 31 -6.556 20.568 -8.360 348 H MET 32 H MET 32 -4.895 18.042 -6.128 349 HA MET 32 HA MET 32 -5.418 16.477 -3.878 350 HB2 MET 32 HB3 MET 32 -4.024 15.844 -6.457 351 HB3 MET 32 HB2 MET 32 -4.250 14.645 -5.185 352 HG2 MET 32 HG3 MET 32 -6.325 16.044 -6.820 353 HG3 MET 32 HG2 MET 32 -6.022 14.325 -6.677 354 HE1 MET 32 HE1 MET 32 -5.601 14.566 -3.250 355 HE2 MET 32 HE2 MET 32 -6.078 13.185 -4.232 356 HE3 MET 32 HE3 MET 32 -7.124 13.736 -2.919 357 H ARG 33 H ARG 33 -2.483 17.851 -5.238 358 HA ARG 33 HA ARG 33 -0.639 16.389 -3.741 359 HB2 ARG 33 HB3 ARG 33 -0.436 19.226 -4.751 360 HB3 ARG 33 HB2 ARG 33 0.912 18.301 -4.097 361 HG2 ARG 33 HG3 ARG 33 0.511 16.601 -5.874 362 HG3 ARG 33 HG2 ARG 33 -0.678 17.699 -6.576 363 HD2 ARG 33 HD3 ARG 33 2.266 18.214 -6.193 364 HD3 ARG 33 HD2 ARG 33 1.425 17.942 -7.716 365 HE ARG 33 HE ARG 33 1.076 20.322 -6.008 366 HH11 ARG 33 HH11 ARG 33 0.925 18.755 -9.136 367 HH12 ARG 33 HH12 ARG 33 0.708 20.236 -10.010 368 HH21 ARG 33 HH21 ARG 33 0.768 22.271 -7.149 369 HH22 ARG 33 HH22 ARG 33 0.609 22.237 -8.878 370 H GLN 34 H GLN 34 -2.398 19.357 -2.892 371 HA GLN 34 HA GLN 34 -0.927 19.674 -0.459 372 HB2 GLN 34 HB3 GLN 34 -2.540 21.448 0.064 373 HB3 GLN 34 HB2 GLN 34 -1.858 21.629 -1.542 374 HG2 GLN 34 HG3 GLN 34 -3.961 21.962 -2.181 375 HG3 GLN 34 HG2 GLN 34 -4.125 20.216 -2.058 376 HE21 GLN 34 HE21 GLN 34 -3.855 20.421 0.917 377 HE22 GLN 34 HE22 GLN 34 -5.406 20.945 1.451 378 H VAL 35 H VAL 35 -3.974 18.157 -1.361 379 HA VAL 35 HA VAL 35 -4.859 17.709 1.314 380 HB VAL 35 HB VAL 35 -5.618 16.395 -1.302 381 HG11 VAL 35 HG11 VAL 35 -6.932 16.084 1.396 382 HG12 VAL 35 HG12 VAL 35 -6.023 14.840 0.537 383 HG13 VAL 35 HG13 VAL 35 -7.537 15.444 -0.130 384 HG21 VAL 35 HG21 VAL 35 -7.024 18.442 0.409 385 HG22 VAL 35 HG22 VAL 35 -7.671 17.716 -1.064 386 HG23 VAL 35 HG23 VAL 35 -6.236 18.738 -1.139 387 H ILE 36 H ILE 36 -3.398 15.638 -1.150 388 HA ILE 36 HA ILE 36 -3.146 13.277 0.211 389 HB ILE 36 HB ILE 36 -1.373 14.498 -1.878 390 HG12 ILE 36 HG13 ILE 36 -3.490 12.341 -2.013 391 HG13 ILE 36 HG12 ILE 36 -3.791 14.038 -2.362 392 HG21 ILE 36 HG21 ILE 36 -0.157 12.786 -0.578 393 HG22 ILE 36 HG22 ILE 36 -0.444 12.308 -2.248 394 HG23 ILE 36 HG23 ILE 36 -1.434 11.633 -0.956 395 HD11 ILE 36 HD11 ILE 36 -2.142 13.901 -4.193 396 HD12 ILE 36 HD12 ILE 36 -3.537 12.841 -4.403 397 HD13 ILE 36 HD13 ILE 36 -1.992 12.170 -3.872 398 H LYS 37 H LYS 37 -0.913 16.040 0.319 399 HA LYS 37 HA LYS 37 1.108 14.826 1.861 400 HB2 LYS 37 HB3 LYS 37 0.247 17.717 1.687 401 HB3 LYS 37 HB2 LYS 37 1.687 17.179 2.534 402 HG2 LYS 37 HG3 LYS 37 2.726 16.492 0.528 403 HG3 LYS 37 HG2 LYS 37 1.221 16.656 -0.385 404 HD2 LYS 37 HD3 LYS 37 1.237 19.076 0.046 405 HD3 LYS 37 HD2 LYS 37 2.762 18.900 0.918 406 HE2 LYS 37 HE3 LYS 37 2.375 18.122 -1.966 407 HE3 LYS 37 HE2 LYS 37 2.983 19.692 -1.447 408 HZ1 LYS 37 HZ1 LYS 37 4.787 18.208 -2.014 409 HZ2 LYS 37 HZ2 LYS 37 4.250 17.070 -0.882 410 HZ3 LYS 37 HZ3 LYS 37 4.831 18.569 -0.360 411 H LEU 38 H LEU 38 -1.913 16.372 2.757 412 HA LEU 38 HA LEU 38 -1.199 16.518 5.569 413 HB2 LEU 38 HB3 LEU 38 -3.734 17.253 4.113 414 HB3 LEU 38 HB2 LEU 38 -3.429 17.557 5.812 415 HG LEU 38 HG LEU 38 -1.692 18.697 3.633 416 HD11 LEU 38 HD11 LEU 38 -3.949 19.463 3.247 417 HD12 LEU 38 HD12 LEU 38 -2.968 20.774 3.905 418 HD13 LEU 38 HD13 LEU 38 -4.112 19.922 4.943 419 HD21 LEU 38 HD21 LEU 38 -0.716 18.636 5.871 420 HD22 LEU 38 HD22 LEU 38 -2.130 19.467 6.519 421 HD23 LEU 38 HD23 LEU 38 -1.067 20.292 5.379 422 H ALA 39 H ALA 39 -2.352 14.141 3.599 423 HA ALA 39 HA ALA 39 -4.393 13.091 5.344 424 HB1 ALA 39 HB1 ALA 39 -4.566 12.850 2.908 425 HB2 ALA 39 HB2 ALA 39 -4.573 11.287 3.727 426 HB3 ALA 39 HB3 ALA 39 -3.113 11.849 2.911 427 H GLY 40 H GLY 40 -3.767 12.210 7.223 428 HA2 GLY 40 HA3 GLY 40 -1.337 10.781 7.615 429 HA3 GLY 40 HA2 GLY 40 -2.739 10.751 8.678 430 H VAL 41 H VAL 41 -0.913 8.585 7.490 431 HA VAL 41 HA VAL 41 -3.025 7.037 6.142 432 HB VAL 41 HB VAL 41 -0.073 6.847 5.556 433 HG11 VAL 41 HG11 VAL 41 -0.784 5.519 3.630 434 HG12 VAL 41 HG12 VAL 41 -2.462 5.660 4.151 435 HG13 VAL 41 HG13 VAL 41 -1.301 4.783 5.147 436 HG21 VAL 41 HG21 VAL 41 -0.920 9.004 4.833 437 HG22 VAL 41 HG22 VAL 41 -2.251 8.218 3.986 438 HG23 VAL 41 HG23 VAL 41 -0.592 7.974 3.440 439 H THR 42 H THR 42 -3.554 5.212 7.064 440 HA THR 42 HA THR 42 -1.547 3.833 8.734 441 HB THR 42 HB THR 42 -4.551 3.575 8.981 442 HG1 THR 42 HG1 THR 42 -3.571 5.695 9.559 443 HG21 THR 42 HG21 THR 42 -2.302 2.702 10.799 444 HG22 THR 42 HG22 THR 42 -3.284 1.639 9.791 445 HG23 THR 42 HG23 THR 42 -4.023 2.518 11.130 446 H LYS 43 H LYS 43 -0.789 2.024 7.850 447 HA LYS 43 HA LYS 43 -2.332 0.690 5.744 448 HB2 LYS 43 HB3 LYS 43 0.563 0.520 6.591 449 HB3 LYS 43 HB2 LYS 43 -0.149 -0.587 5.426 450 HG2 LYS 43 HG3 LYS 43 -0.172 2.396 5.063 451 HG3 LYS 43 HG2 LYS 43 1.133 1.363 4.478 452 HD2 LYS 43 HD3 LYS 43 -0.527 0.077 3.169 453 HD3 LYS 43 HD2 LYS 43 -1.779 1.201 3.701 454 HE2 LYS 43 HE3 LYS 43 -0.724 3.020 2.567 455 HE3 LYS 43 HE2 LYS 43 0.702 2.045 2.216 456 HZ1 LYS 43 HZ1 LYS 43 -2.019 1.561 1.129 457 HZ2 LYS 43 HZ2 LYS 43 -0.640 0.651 0.770 458 HZ3 LYS 43 HZ3 LYS 43 -0.739 2.276 0.281 459 H LYS 44 H LYS 44 -3.122 -1.362 5.986 460 HA LYS 44 HA LYS 44 -2.459 -2.764 8.480 461 HB2 LYS 44 HB3 LYS 44 -5.216 -2.200 7.404 462 HB3 LYS 44 HB2 LYS 44 -4.891 -3.419 8.626 463 HG2 LYS 44 HG3 LYS 44 -4.084 -1.744 10.149 464 HG3 LYS 44 HG2 LYS 44 -4.252 -0.492 8.917 465 HD2 LYS 44 HD3 LYS 44 -6.107 -0.464 10.529 466 HD3 LYS 44 HD2 LYS 44 -6.659 -0.814 8.891 467 HE2 LYS 44 HE3 LYS 44 -7.767 -2.256 10.500 468 HE3 LYS 44 HE2 LYS 44 -6.738 -3.197 9.430 469 HZ1 LYS 44 HZ1 LYS 44 -6.501 -3.940 11.690 470 HZ2 LYS 44 HZ2 LYS 44 -6.100 -2.384 12.210 471 HZ3 LYS 44 HZ3 LYS 44 -5.051 -3.230 11.188 472 H PHE 45 H PHE 45 -1.990 -4.815 8.214 473 HA PHE 45 HA PHE 45 -3.173 -6.297 5.954 474 HB2 PHE 45 HB3 PHE 45 -0.349 -6.406 7.011 475 HB3 PHE 45 HB2 PHE 45 -1.048 -7.715 6.071 476 HD1 PHE 45 HD1 PHE 45 -0.130 -4.132 5.972 477 HD2 PHE 45 HD2 PHE 45 -1.081 -7.626 3.729 478 HE1 PHE 45 HE1 PHE 45 0.518 -2.978 3.900 479 HE2 PHE 45 HE2 PHE 45 -0.426 -6.476 1.656 480 HZ PHE 45 HZ PHE 45 0.505 -4.219 1.746 481 H ARG 46 H ARG 46 -3.975 -8.304 6.481 482 HA ARG 46 HA ARG 46 -3.087 -9.702 8.827 483 HB2 ARG 46 HB3 ARG 46 -5.236 -9.843 9.958 484 HB3 ARG 46 HB2 ARG 46 -4.727 -8.165 9.842 485 HG2 ARG 46 HG3 ARG 46 -6.314 -7.687 8.178 486 HG3 ARG 46 HG2 ARG 46 -6.616 -9.398 7.867 487 HD2 ARG 46 HD3 ARG 46 -7.242 -8.015 10.469 488 HD3 ARG 46 HD2 ARG 46 -8.411 -8.254 9.172 489 HE ARG 46 HE ARG 46 -7.621 -10.756 9.562 490 HH11 ARG 46 HH11 ARG 46 -8.415 -8.286 11.914 491 HH12 ARG 46 HH12 ARG 46 -9.014 -9.411 13.088 492 HH21 ARG 46 HH21 ARG 46 -8.416 -12.247 11.113 493 HH22 ARG 46 HH22 ARG 46 -8.999 -11.663 12.641 494 H ASN 47 H ASN 47 -4.189 -11.782 9.044 495 HA ASN 47 HA ASN 47 -4.674 -13.095 6.550 496 HB2 ASN 47 HB3 ASN 47 -3.823 -14.123 8.771 497 HB3 ASN 47 HB2 ASN 47 -5.520 -14.158 9.244 498 HD21 ASN 47 HD21 ASN 47 -3.066 -15.562 7.307 499 HD22 ASN 47 HD22 ASN 47 -4.001 -16.868 6.677 500 H ALA 48 H ALA 48 -6.683 -13.576 5.558 501 HA ALA 48 HA ALA 48 -8.780 -11.785 6.291 502 HB1 ALA 48 HB1 ALA 48 -8.105 -12.620 3.933 503 HB2 ALA 48 HB2 ALA 48 -9.804 -12.346 4.301 504 HB3 ALA 48 HB3 ALA 48 -9.160 -13.991 4.307 505 H ALA 49 H ALA 49 -11.111 -12.792 6.095 506 HA ALA 49 HA ALA 49 -11.269 -14.965 8.075 507 HB1 ALA 49 HB1 ALA 49 -12.944 -13.764 9.298 508 HB2 ALA 49 HB2 ALA 49 -12.909 -12.452 8.121 509 HB3 ALA 49 HB3 ALA 49 -11.504 -12.753 9.142 510 H SER 50 H SER 50 -12.438 -13.448 5.272 511 HA SER 50 HA SER 50 -14.928 -14.452 4.820 512 HB2 SER 50 HB3 SER 50 -13.643 -13.011 3.258 513 HB3 SER 50 HB2 SER 50 -12.697 -14.417 2.778 514 HG SER 50 HG SER 50 -15.510 -14.105 2.500 515 H GLY 51 H GLY 51 -11.988 -16.281 5.042 516 HA2 GLY 51 HA3 GLY 51 -12.028 -18.535 5.725 517 HA3 GLY 51 HA2 GLY 51 -13.642 -18.686 5.057 518 H LYS 52 H LYS 52 -11.585 -17.204 2.798 519 HA LYS 52 HA LYS 52 -11.234 -19.814 1.464 520 HB2 LYS 52 HB3 LYS 52 -11.181 -17.011 0.340 521 HB3 LYS 52 HB2 LYS 52 -10.832 -18.454 -0.599 522 HG2 LYS 52 HG3 LYS 52 -12.991 -18.493 -1.091 523 HG3 LYS 52 HG2 LYS 52 -13.250 -19.034 0.568 524 HD2 LYS 52 HD3 LYS 52 -14.709 -17.154 0.048 525 HD3 LYS 52 HD2 LYS 52 -13.527 -16.696 1.274 526 HE2 LYS 52 HE3 LYS 52 -12.196 -15.540 -0.379 527 HE3 LYS 52 HE2 LYS 52 -13.248 -16.107 -1.673 528 HZ1 LYS 52 HZ1 LYS 52 -14.302 -14.472 0.550 529 HZ2 LYS 52 HZ2 LYS 52 -14.957 -14.706 -0.993 530 HZ3 LYS 52 HZ3 LYS 52 -13.574 -13.744 -0.796 531 HA PRO 53 HA PRO 53 -7.198 -19.454 3.292 532 HB2 PRO 53 HB3 PRO 53 -6.041 -21.488 1.763 533 HB3 PRO 53 HB2 PRO 53 -6.831 -21.675 3.330 534 HG2 PRO 53 HG3 PRO 53 -7.892 -22.149 0.602 535 HG3 PRO 53 HG2 PRO 53 -8.237 -23.015 2.107 536 HD2 PRO 53 HD3 PRO 53 -9.991 -21.290 1.024 537 HD3 PRO 53 HD2 PRO 53 -9.816 -21.444 2.781 538 H ASP 54 H ASP 54 -5.156 -18.701 2.825 539 HA ASP 54 HA ASP 54 -3.449 -17.729 1.697 540 HB2 ASP 54 HB3 ASP 54 -4.030 -19.190 -0.332 541 HB3 ASP 54 HB2 ASP 54 -4.966 -17.813 -0.908 542 H ARG 55 H ARG 55 -6.751 -16.927 1.332 543 HA ARG 55 HA ARG 55 -7.023 -14.324 0.858 544 HB2 ARG 55 HB3 ARG 55 -8.753 -14.294 2.567 545 HB3 ARG 55 HB2 ARG 55 -8.764 -15.840 1.728 546 HG2 ARG 55 HG3 ARG 55 -7.397 -16.792 3.576 547 HG3 ARG 55 HG2 ARG 55 -7.584 -15.275 4.443 548 HD2 ARG 55 HD3 ARG 55 -10.092 -15.652 4.235 549 HD3 ARG 55 HD2 ARG 55 -9.689 -17.294 3.731 550 HE ARG 55 HE ARG 55 -9.153 -16.112 6.376 551 HH11 ARG 55 HH11 ARG 55 -9.278 -18.939 4.295 552 HH12 ARG 55 HH12 ARG 55 -9.149 -20.060 5.608 553 HH21 ARG 55 HH21 ARG 55 -8.980 -17.596 8.090 554 HH22 ARG 55 HH22 ARG 55 -8.987 -19.300 7.758 555 H TYR 56 H TYR 56 -6.171 -12.428 1.543 556 HA TYR 56 HA TYR 56 -5.680 -12.151 4.412 557 HB2 TYR 56 HB3 TYR 56 -3.852 -11.230 2.179 558 HB3 TYR 56 HB2 TYR 56 -3.795 -10.533 3.794 559 HD1 TYR 56 HD1 TYR 56 -2.871 -13.359 1.716 560 HD2 TYR 56 HD2 TYR 56 -3.112 -11.944 5.719 561 HE1 TYR 56 HE1 TYR 56 -1.350 -15.152 2.437 562 HE2 TYR 56 HE2 TYR 56 -1.593 -13.729 6.450 563 HH TYR 56 HH TYR 56 0.242 -15.575 4.312 564 H ASP 57 H ASP 57 -5.854 -9.932 5.115 565 HA ASP 57 HA ASP 57 -7.640 -8.343 3.385 566 HB2 ASP 57 HB3 ASP 57 -8.750 -9.328 5.402 567 HB3 ASP 57 HB2 ASP 57 -7.601 -8.464 6.414 568 H MET 58 H MET 58 -7.073 -6.220 3.080 569 HA MET 58 HA MET 58 -4.900 -5.117 4.678 570 HB2 MET 58 HB3 MET 58 -3.808 -6.301 2.810 571 HB3 MET 58 HB2 MET 58 -4.748 -5.359 1.665 572 HG2 MET 58 HG3 MET 58 -2.979 -4.005 3.651 573 HG3 MET 58 HG2 MET 58 -2.306 -4.688 2.172 574 HE1 MET 58 HE1 MET 58 -1.393 -2.163 1.816 575 HE2 MET 58 HE2 MET 58 -2.297 -1.564 3.210 576 HE3 MET 58 HE3 MET 58 -2.464 -0.768 1.642 577 H GLU 59 H GLU 59 -4.916 -2.912 4.805 578 HA GLU 59 HA GLU 59 -7.006 -1.522 3.283 579 HB2 GLU 59 HB3 GLU 59 -6.523 -1.302 6.256 580 HB3 GLU 59 HB2 GLU 59 -7.584 -0.242 5.342 581 HG2 GLU 59 HG3 GLU 59 -9.052 -2.054 4.824 582 HG3 GLU 59 HG2 GLU 59 -7.938 -3.222 5.529 583 H ASN 60 H ASN 60 -6.580 0.500 2.637 584 HA ASN 60 HA ASN 60 -4.032 1.718 3.494 585 HB2 ASN 60 HB3 ASN 60 -5.531 2.545 1.009 586 HB3 ASN 60 HB2 ASN 60 -3.856 2.858 1.420 587 HD21 ASN 60 HD21 ASN 60 -3.043 2.102 -0.480 588 HD22 ASN 60 HD22 ASN 60 -3.069 0.418 -0.922 589 H LEU 61 H LEU 61 -4.994 2.679 5.324 590 HA LEU 61 HA LEU 61 -7.445 4.194 4.938 591 HB2 LEU 61 HB3 LEU 61 -5.827 3.640 7.422 592 HB3 LEU 61 HB2 LEU 61 -7.368 4.474 7.389 593 HG LEU 61 HG LEU 61 -6.892 1.594 6.630 594 HD11 LEU 61 HD11 LEU 61 -6.783 1.997 9.027 595 HD12 LEU 61 HD12 LEU 61 -8.243 1.104 8.601 596 HD13 LEU 61 HD13 LEU 61 -8.338 2.827 8.967 597 HD21 LEU 61 HD21 LEU 61 -9.384 1.512 6.519 598 HD22 LEU 61 HD22 LEU 61 -8.627 2.452 5.235 599 HD23 LEU 61 HD23 LEU 61 -9.393 3.275 6.592 600 H THR 62 H THR 62 -7.623 6.355 4.992 601 HA THR 62 HA THR 62 -5.242 7.936 5.600 602 HB THR 62 HB THR 62 -5.354 9.265 3.635 603 HG1 THR 62 HG1 THR 62 -7.389 7.840 2.354 604 HG21 THR 62 HG21 THR 62 -4.997 7.655 1.803 605 HG22 THR 62 HG22 THR 62 -5.655 6.376 2.823 606 HG23 THR 62 HG23 THR 62 -4.159 7.188 3.282 607 H THR 63 H THR 63 -6.490 10.399 4.747 608 HA THR 63 HA THR 63 -8.481 10.606 6.884 609 HB THR 63 HB THR 63 -8.036 13.043 6.763 610 HG1 THR 63 HG1 THR 63 -6.339 13.763 5.437 611 HG21 THR 63 HG21 THR 63 -5.649 11.232 7.115 612 HG22 THR 63 HG22 THR 63 -6.803 11.720 8.358 613 HG23 THR 63 HG23 THR 63 -5.711 12.913 7.650 614 H LYS 64 H LYS 64 -8.208 10.607 3.494 615 HA LYS 64 HA LYS 64 -10.761 12.048 3.211 616 HB2 LYS 64 HB3 LYS 64 -8.494 11.703 1.252 617 HB3 LYS 64 HB2 LYS 64 -10.046 12.419 0.838 618 HG2 LYS 64 HG3 LYS 64 -8.199 13.472 2.970 619 HG3 LYS 64 HG2 LYS 64 -8.270 14.077 1.314 620 HD2 LYS 64 HD3 LYS 64 -10.626 14.670 1.636 621 HD3 LYS 64 HD2 LYS 64 -10.550 14.070 3.291 622 HE2 LYS 64 HE3 LYS 64 -8.839 16.304 2.214 623 HE3 LYS 64 HE2 LYS 64 -10.349 16.548 3.084 624 HZ1 LYS 64 HZ1 LYS 64 -7.928 15.206 4.159 625 HZ2 LYS 64 HZ2 LYS 64 -9.382 15.423 4.996 626 HZ3 LYS 64 HZ3 LYS 64 -8.457 16.764 4.553 627 H LYS 65 H LYS 65 -8.881 9.432 1.708 628 HA LYS 65 HA LYS 65 -11.413 8.028 1.211 629 HB2 LYS 65 HB3 LYS 65 -10.727 8.842 -0.928 630 HB3 LYS 65 HB2 LYS 65 -9.058 8.370 -0.647 631 HG2 LYS 65 HG3 LYS 65 -10.045 6.833 -2.192 632 HG3 LYS 65 HG2 LYS 65 -9.762 6.005 -0.657 633 HD2 LYS 65 HD3 LYS 65 -11.916 5.337 -1.426 634 HD3 LYS 65 HD2 LYS 65 -12.173 6.457 -0.090 635 HE2 LYS 65 HE3 LYS 65 -12.500 8.274 -1.761 636 HE3 LYS 65 HE2 LYS 65 -12.393 7.062 -3.037 637 HZ1 LYS 65 HZ1 LYS 65 -14.322 5.941 -2.074 638 HZ2 LYS 65 HZ2 LYS 65 -14.686 7.539 -2.499 639 HZ3 LYS 65 HZ3 LYS 65 -14.433 7.140 -0.877 640 H ASP 66 H ASP 66 -11.467 6.041 2.031 641 HA ASP 66 HA ASP 66 -8.911 4.813 2.822 642 HB2 ASP 66 HB3 ASP 66 -11.645 4.330 4.041 643 HB3 ASP 66 HB2 ASP 66 -10.137 3.604 4.561 644 H THR 67 H THR 67 -8.693 2.563 2.461 645 HA THR 67 HA THR 67 -10.653 1.448 0.563 646 HB THR 67 HB THR 67 -8.723 0.232 -0.500 647 HG1 THR 67 HG1 THR 67 -7.150 2.168 0.863 648 HG21 THR 67 HG21 THR 67 -7.895 2.206 -1.767 649 HG22 THR 67 HG22 THR 67 -8.704 3.249 -0.598 650 HG23 THR 67 HG23 THR 67 -9.652 2.167 -1.614 651 H HIS 68 H HIS 68 -10.874 -0.859 0.609 652 HA HIS 68 HA HIS 68 -9.739 -2.164 2.967 653 HB2 HIS 68 HB3 HIS 68 -12.003 -1.302 3.560 654 HB3 HIS 68 HB2 HIS 68 -12.677 -2.261 2.252 655 HD1 HIS 68 HD1 HIS 68 -14.026 -3.164 4.519 656 HD2 HIS 68 HD2 HIS 68 -10.109 -4.399 3.936 657 HE1 HIS 68 HE1 HIS 68 -13.752 -5.235 5.910 658 HE2 HIS 68 HE2 HIS 68 -11.405 -6.039 5.435 659 H HIS 69 H HIS 69 -8.401 -3.209 1.418 660 HA HIS 69 HA HIS 69 -9.536 -4.858 -0.641 661 HB2 HIS 69 HB3 HIS 69 -6.785 -5.099 0.593 662 HB3 HIS 69 HB2 HIS 69 -7.299 -5.703 -0.972 663 HD1 HIS 69 HD1 HIS 69 -8.576 -3.115 -2.136 664 HD2 HIS 69 HD2 HIS 69 -4.956 -3.258 -0.090 665 HE1 HIS 69 HE1 HIS 69 -7.260 -1.134 -2.941 666 HE2 HIS 69 HE2 HIS 69 -4.990 -1.383 -1.861 667 H LYS 70 H LYS 70 -11.072 -6.142 0.458 668 HA LYS 70 HA LYS 70 -10.139 -7.813 2.637 669 HB2 LYS 70 HB3 LYS 70 -12.590 -8.655 2.486 670 HB3 LYS 70 HB2 LYS 70 -12.246 -7.063 3.144 671 HG2 LYS 70 HG3 LYS 70 -12.904 -6.007 1.097 672 HG3 LYS 70 HG2 LYS 70 -13.078 -7.571 0.297 673 HD2 LYS 70 HD3 LYS 70 -15.203 -6.408 1.143 674 HD3 LYS 70 HD2 LYS 70 -14.990 -8.116 1.528 675 HE2 LYS 70 HE3 LYS 70 -14.214 -7.544 3.745 676 HE3 LYS 70 HE2 LYS 70 -14.300 -5.823 3.363 677 HZ1 LYS 70 HZ1 LYS 70 -16.216 -6.616 4.651 678 HZ2 LYS 70 HZ2 LYS 70 -16.622 -7.683 3.403 679 HZ3 LYS 70 HZ3 LYS 70 -16.682 -6.014 3.143 680 H ASP 71 H ASP 71 -9.642 -9.814 2.573 681 HA ASP 71 HA ASP 71 -9.065 -11.855 1.870 682 HB2 ASP 71 HB3 ASP 71 -10.868 -13.304 1.067 683 HB3 ASP 71 HB2 ASP 71 -11.359 -12.326 2.435 684 H TRP 72 H TRP 72 -7.662 -10.469 0.398 685 HA TRP 72 HA TRP 72 -8.029 -11.367 -2.370 686 HB2 TRP 72 HB3 TRP 72 -5.986 -9.930 -2.807 687 HB3 TRP 72 HB2 TRP 72 -7.432 -9.058 -2.310 688 HD1 TRP 72 HD1 TRP 72 -7.384 -7.811 0.003 689 HE1 TRP 72 HE1 TRP 72 -5.484 -7.158 1.601 690 HE3 TRP 72 HE3 TRP 72 -3.644 -10.768 -1.882 691 HZ2 TRP 72 HZ2 TRP 72 -2.768 -7.813 1.993 692 HZ3 TRP 72 HZ3 TRP 72 -1.435 -10.645 -0.786 693 HH2 TRP 72 HH2 TRP 72 -1.021 -9.211 1.087 694 H ALA 73 H ALA 73 -6.441 -12.633 -3.385 695 HA ALA 73 HA ALA 73 -4.629 -14.023 -1.531 696 HB1 ALA 73 HB1 ALA 73 -5.989 -15.030 -4.027 697 HB2 ALA 73 HB2 ALA 73 -6.422 -15.447 -2.367 698 HB3 ALA 73 HB3 ALA 73 -4.869 -15.959 -3.028 699 H LEU 74 H LEU 74 -2.545 -14.542 -2.308 700 HA LEU 74 HA LEU 74 -1.304 -12.789 -4.060 701 HB2 LEU 74 HB3 LEU 74 -0.582 -15.427 -2.899 702 HB3 LEU 74 HB2 LEU 74 0.385 -14.832 -4.235 703 HG LEU 74 HG LEU 74 1.468 -14.227 -2.198 704 HD11 LEU 74 HD11 LEU 74 0.108 -11.806 -3.355 705 HD12 LEU 74 HD12 LEU 74 1.528 -12.612 -4.023 706 HD13 LEU 74 HD13 LEU 74 1.616 -11.827 -2.445 707 HD21 LEU 74 HD21 LEU 74 0.413 -12.812 -0.505 708 HD22 LEU 74 HD22 LEU 74 -0.409 -14.363 -0.671 709 HD23 LEU 74 HD23 LEU 74 -1.117 -12.911 -1.381 710 H GLY 75 H GLY 75 -1.128 -12.619 -6.163 711 HA2 GLY 75 HA3 GLY 75 -1.070 -13.276 -8.401 712 HA3 GLY 75 HA2 GLY 75 -1.540 -14.899 -7.914 713 H GLU 76 H GLU 76 -3.513 -12.653 -6.440 714 HA GLU 76 HA GLU 76 -5.611 -13.219 -8.397 715 HB2 GLU 76 HB3 GLU 76 -5.632 -12.785 -5.444 716 HB3 GLU 76 HB2 GLU 76 -7.087 -12.454 -6.364 717 HG2 GLU 76 HG3 GLU 76 -5.610 -15.069 -6.305 718 HG3 GLU 76 HG2 GLU 76 -7.105 -14.697 -5.445 719 H GLU 77 H GLU 77 -7.111 -11.673 -8.958 720 HA GLU 77 HA GLU 77 -6.267 -8.856 -8.707 721 HB2 GLU 77 HB3 GLU 77 -5.470 -9.609 -10.859 722 HB3 GLU 77 HB2 GLU 77 -6.994 -10.406 -11.212 723 HG2 GLU 77 HG3 GLU 77 -8.069 -8.142 -11.192 724 HG3 GLU 77 HG2 GLU 77 -6.448 -7.453 -11.093 725 H PHE 78 H PHE 78 -7.932 -7.750 -7.885 726 HA PHE 78 HA PHE 78 -10.676 -8.647 -8.481 727 HB2 PHE 78 HB3 PHE 78 -11.296 -8.139 -6.156 728 HB3 PHE 78 HB2 PHE 78 -10.057 -9.383 -6.223 729 HD1 PHE 78 HD1 PHE 78 -7.741 -8.852 -5.575 730 HD2 PHE 78 HD2 PHE 78 -10.904 -6.043 -5.112 731 HE1 PHE 78 HE1 PHE 78 -6.346 -7.541 -4.032 732 HE2 PHE 78 HE2 PHE 78 -9.510 -4.729 -3.569 733 HZ PHE 78 HZ PHE 78 -7.246 -5.487 -3.006 734 H GLN 79 H GLN 79 -12.267 -6.966 -8.504 735 HA GLN 79 HA GLN 79 -11.142 -4.341 -9.037 736 HB2 GLN 79 HB3 GLN 79 -13.935 -5.445 -9.277 737 HB3 GLN 79 HB2 GLN 79 -13.598 -3.729 -9.431 738 HG2 GLN 79 HG3 GLN 79 -13.622 -4.428 -11.619 739 HG3 GLN 79 HG2 GLN 79 -11.905 -4.463 -11.233 740 HE21 GLN 79 HE21 GLN 79 -10.845 -6.426 -11.094 741 HE22 GLN 79 HE22 GLN 79 -11.548 -7.905 -11.644 742 H ASP 80 H ASP 80 -11.818 -2.456 -7.892 743 HA ASP 80 HA ASP 80 -13.022 -2.688 -5.316 744 HB2 ASP 80 HB3 ASP 80 -10.765 -3.862 -5.058 745 HB3 ASP 80 HB2 ASP 80 -10.028 -2.284 -5.299 746 H GLU 81 H GLU 81 -12.678 -0.638 -4.029 747 HA GLU 81 HA GLU 81 -12.515 1.633 -5.892 748 HB2 GLU 81 HB3 GLU 81 -14.656 1.350 -4.626 749 HB3 GLU 81 HB2 GLU 81 -13.753 1.529 -3.128 750 HG2 GLU 81 HG3 GLU 81 -13.061 3.784 -3.862 751 HG3 GLU 81 HG2 GLU 81 -14.080 3.598 -5.288 752 H ALA 82 H ALA 82 -10.479 2.176 -5.931 753 HA ALA 82 HA ALA 82 -8.800 1.866 -3.605 754 HB1 ALA 82 HB1 ALA 82 -6.976 2.318 -5.091 755 HB2 ALA 82 HB2 ALA 82 -8.097 2.881 -6.335 756 HB3 ALA 82 HB3 ALA 82 -8.099 1.186 -5.850 757 H LEU 83 H LEU 83 -7.027 3.657 -3.345 758 HA LEU 83 HA LEU 83 -8.164 5.899 -2.170 759 HB2 LEU 83 HB3 LEU 83 -5.380 5.697 -3.341 760 HB3 LEU 83 HB2 LEU 83 -5.923 6.928 -2.224 761 HG LEU 83 HG LEU 83 -4.625 5.442 -0.965 762 HD11 LEU 83 HD11 LEU 83 -6.209 4.456 0.622 763 HD12 LEU 83 HD12 LEU 83 -7.515 4.744 -0.526 764 HD13 LEU 83 HD13 LEU 83 -6.638 6.105 0.171 765 HD21 LEU 83 HD21 LEU 83 -6.223 3.128 -2.032 766 HD22 LEU 83 HD22 LEU 83 -4.838 3.055 -0.947 767 HD23 LEU 83 HD23 LEU 83 -4.628 3.598 -2.612 768 H ASP 84 H ASP 84 -7.032 5.338 -5.408 769 HA ASP 84 HA ASP 84 -7.067 8.099 -6.171 770 HB2 ASP 84 HB3 ASP 84 -6.386 7.373 -8.334 771 HB3 ASP 84 HB2 ASP 84 -5.517 6.408 -7.153 772 H SER 85 H SER 85 -9.507 6.197 -5.428 773 HA SER 85 HA SER 85 -11.732 6.528 -5.548 774 HB2 SER 85 HB3 SER 85 -11.110 8.988 -7.189 775 HB3 SER 85 HB2 SER 85 -12.548 8.683 -6.209 776 HG SER 85 HG SER 85 -10.077 8.529 -4.920 777 H THR 86 H THR 86 -10.487 4.863 -7.484 778 HA THR 86 HA THR 86 -12.510 5.074 -9.606 779 HB THR 86 HB THR 86 -10.937 3.675 -10.999 780 HG1 THR 86 HG1 THR 86 -8.729 4.601 -9.613 781 HG21 THR 86 HG21 THR 86 -11.240 6.056 -11.411 782 HG22 THR 86 HG22 THR 86 -9.570 5.574 -11.707 783 HG23 THR 86 HG23 THR 86 -9.989 6.431 -10.224 784 H GLN 87 H GLN 87 -13.188 3.004 -10.499 785 HA GLN 87 HA GLN 87 -13.239 0.880 -8.453 786 HB2 GLN 87 HB3 GLN 87 -15.065 1.154 -10.847 787 HB3 GLN 87 HB2 GLN 87 -15.301 0.146 -9.431 788 HG2 GLN 87 HG3 GLN 87 -15.362 3.148 -9.470 789 HG3 GLN 87 HG2 GLN 87 -16.774 2.095 -9.472 790 HE21 GLN 87 HE21 GLN 87 -15.520 0.189 -7.623 791 HE22 GLN 87 HE22 GLN 87 -15.581 0.941 -6.070 792 H HIS 88 H HIS 88 -11.219 -0.064 -9.128 793 HA HIS 88 HA HIS 88 -11.141 -0.792 -11.974 794 HB2 HIS 88 HB3 HIS 88 -8.885 -0.058 -12.210 795 HB3 HIS 88 HB2 HIS 88 -9.807 1.280 -11.537 796 HD1 HIS 88 HD1 HIS 88 -8.845 2.333 -9.464 797 HD2 HIS 88 HD2 HIS 88 -7.292 -1.443 -10.235 798 HE1 HIS 88 HE1 HIS 88 -7.044 1.948 -7.743 799 HE2 HIS 88 HE2 HIS 88 -6.308 -0.408 -8.104 800 H LYS 89 H LYS 89 -9.143 -2.299 -12.381 801 HA LYS 89 HA LYS 89 -9.543 -4.493 -10.538 802 HB2 LYS 89 HB3 LYS 89 -8.555 -5.896 -12.184 803 HB3 LYS 89 HB2 LYS 89 -9.620 -4.782 -13.028 804 HG2 LYS 89 HG3 LYS 89 -7.715 -3.456 -13.730 805 HG3 LYS 89 HG2 LYS 89 -6.628 -4.531 -12.847 806 HD2 LYS 89 HD3 LYS 89 -7.446 -6.415 -14.245 807 HD3 LYS 89 HD2 LYS 89 -8.389 -5.256 -15.183 808 HE2 LYS 89 HE3 LYS 89 -6.353 -4.103 -15.833 809 HE3 LYS 89 HE2 LYS 89 -5.393 -5.211 -14.853 810 HZ1 LYS 89 HZ1 LYS 89 -7.041 -5.964 -17.208 811 HZ2 LYS 89 HZ2 LYS 89 -6.130 -7.031 -16.266 812 HZ3 LYS 89 HZ3 LYS 89 -5.355 -5.840 -17.181 813 H ILE 90 H ILE 90 -8.035 -5.427 -9.284 814 HA ILE 90 HA ILE 90 -5.511 -3.969 -8.932 815 HB ILE 90 HB ILE 90 -7.449 -4.700 -6.732 816 HG12 ILE 90 HG13 ILE 90 -6.704 -2.108 -8.057 817 HG13 ILE 90 HG12 ILE 90 -8.307 -2.776 -7.783 818 HG21 ILE 90 HG21 ILE 90 -5.896 -3.683 -5.212 819 HG22 ILE 90 HG22 ILE 90 -4.817 -3.262 -6.544 820 HG23 ILE 90 HG23 ILE 90 -5.084 -4.964 -6.123 821 HD11 ILE 90 HD11 ILE 90 -8.002 -0.930 -6.330 822 HD12 ILE 90 HD12 ILE 90 -6.462 -1.559 -5.755 823 HD13 ILE 90 HD13 ILE 90 -7.963 -2.396 -5.348 824 H THR 91 H THR 91 -3.817 -5.285 -8.716 825 HA THR 91 HA THR 91 -4.355 -8.111 -8.085 826 HB THR 91 HB THR 91 -2.097 -7.065 -9.784 827 HG1 THR 91 HG1 THR 91 -4.720 -7.842 -10.435 828 HG21 THR 91 HG21 THR 91 -3.224 -9.843 -9.440 829 HG22 THR 91 HG22 THR 91 -1.704 -9.258 -8.763 830 HG23 THR 91 HG23 THR 91 -1.897 -9.391 -10.511 831 H PHE 92 H PHE 92 -3.082 -9.129 -6.641 832 HA PHE 92 HA PHE 92 -0.893 -7.596 -5.395 833 HB2 PHE 92 HB3 PHE 92 -2.925 -9.436 -4.159 834 HB3 PHE 92 HB2 PHE 92 -1.359 -9.194 -3.396 835 HD1 PHE 92 HD1 PHE 92 -4.395 -7.425 -4.559 836 HD2 PHE 92 HD2 PHE 92 -0.952 -7.316 -2.061 837 HE1 PHE 92 HE1 PHE 92 -5.243 -5.374 -3.488 838 HE2 PHE 92 HE2 PHE 92 -1.794 -5.271 -0.988 839 HZ PHE 92 HZ PHE 92 -3.944 -4.328 -1.651 840 H ASP 93 H ASP 93 1.070 -8.586 -5.298 841 HA ASP 93 HA ASP 93 1.317 -11.410 -5.838 842 HB2 ASP 93 HB3 ASP 93 1.046 -10.557 -8.108 843 HB3 ASP 93 HB2 ASP 93 2.326 -9.377 -7.841 844 H LEU 94 H LEU 94 3.247 -12.235 -5.202 845 HA LEU 94 HA LEU 94 4.994 -10.453 -3.707 846 HB2 LEU 94 HB3 LEU 94 4.241 -13.219 -3.550 847 HB3 LEU 94 HB2 LEU 94 5.983 -13.114 -3.712 848 HG LEU 94 HG LEU 94 5.325 -13.230 -1.367 849 HD11 LEU 94 HD11 LEU 94 7.334 -11.989 -1.914 850 HD12 LEU 94 HD12 LEU 94 6.508 -11.265 -0.533 851 HD13 LEU 94 HD13 LEU 94 6.386 -10.517 -2.126 852 HD21 LEU 94 HD21 LEU 94 4.152 -11.258 -0.361 853 HD22 LEU 94 HD22 LEU 94 3.151 -12.294 -1.375 854 HD23 LEU 94 HD23 LEU 94 3.742 -10.754 -2.001 855 H LYS 95 H LYS 95 6.695 -9.553 -4.678 856 HA LYS 95 HA LYS 95 7.462 -10.519 -7.320 857 HB2 LYS 95 HB3 LYS 95 7.043 -8.085 -6.843 858 HB3 LYS 95 HB2 LYS 95 8.465 -8.097 -5.811 859 HG2 LYS 95 HG3 LYS 95 9.864 -8.664 -7.717 860 HG3 LYS 95 HG2 LYS 95 8.440 -8.700 -8.759 861 HD2 LYS 95 HD3 LYS 95 8.028 -6.332 -8.246 862 HD3 LYS 95 HD2 LYS 95 9.483 -6.307 -7.249 863 HE2 LYS 95 HE3 LYS 95 9.964 -5.374 -9.429 864 HE3 LYS 95 HE2 LYS 95 10.819 -6.902 -9.230 865 HZ1 LYS 95 HZ1 LYS 95 9.808 -6.733 -11.409 866 HZ2 LYS 95 HZ2 LYS 95 8.281 -6.517 -10.720 867 HZ3 LYS 95 HZ3 LYS 95 9.093 -7.987 -10.528 868 H ASP 96 H ASP 96 8.865 -9.865 -4.164 869 HA ASP 96 HA ASP 96 10.561 -12.176 -4.397 870 HB2 ASP 96 HB3 ASP 96 12.658 -11.054 -3.930 871 HB3 ASP 96 HB2 ASP 96 11.968 -10.327 -5.372 872 HA PRO 97 HA PRO 97 9.593 -12.714 -0.210 873 HB2 PRO 97 HB3 PRO 97 12.431 -12.654 0.658 874 HB3 PRO 97 HB2 PRO 97 11.216 -13.923 0.850 875 HG2 PRO 97 HG3 PRO 97 13.157 -14.185 -0.940 876 HG3 PRO 97 HG2 PRO 97 11.505 -14.709 -1.316 877 HD2 PRO 97 HD3 PRO 97 12.949 -12.229 -2.172 878 HD3 PRO 97 HD2 PRO 97 11.875 -13.287 -3.110 879 H ASN 98 H ASN 98 11.087 -9.824 -0.997 880 HA ASN 98 HA ASN 98 10.321 -8.726 1.616 881 HB2 ASN 98 HB3 ASN 98 12.854 -9.035 1.345 882 HB3 ASN 98 HB2 ASN 98 12.768 -7.758 0.139 883 HD21 ASN 98 HD21 ASN 98 12.570 -5.662 0.791 884 HD22 ASN 98 HD22 ASN 98 12.628 -5.171 2.452 885 H THR 99 H THR 99 9.269 -8.884 -1.261 886 HA THR 99 HA THR 99 8.479 -6.073 -1.382 887 HB THR 99 HB THR 99 9.433 -7.530 -3.848 888 HG1 THR 99 HG1 THR 99 11.346 -6.929 -3.210 889 HG21 THR 99 HG21 THR 99 9.223 -5.353 -4.921 890 HG22 THR 99 HG22 THR 99 8.669 -4.645 -3.405 891 HG23 THR 99 HG23 THR 99 7.680 -5.851 -4.227 892 H LEU 100 H LEU 100 6.364 -6.359 -0.995 893 HA LEU 100 HA LEU 100 4.782 -8.240 -2.602 894 HB2 LEU 100 HB3 LEU 100 4.506 -7.406 -0.040 895 HB3 LEU 100 HB2 LEU 100 3.537 -6.190 -0.839 896 HG LEU 100 HG LEU 100 3.050 -9.165 -0.830 897 HD11 LEU 100 HD11 LEU 100 1.436 -6.861 0.247 898 HD12 LEU 100 HD12 LEU 100 2.451 -7.934 1.210 899 HD13 LEU 100 HD13 LEU 100 1.037 -8.576 0.371 900 HD21 LEU 100 HD21 LEU 100 1.521 -6.999 -2.269 901 HD22 LEU 100 HD22 LEU 100 1.015 -8.680 -2.103 902 HD23 LEU 100 HD23 LEU 100 2.466 -8.282 -3.023 903 H THR 101 H THR 101 3.493 -7.476 -4.391 904 HA THR 101 HA THR 101 3.780 -4.591 -4.876 905 HB THR 101 HB THR 101 3.335 -5.197 -7.306 906 HG1 THR 101 HG1 THR 101 3.808 -7.776 -6.205 907 HG21 THR 101 HG21 THR 101 5.513 -4.506 -6.459 908 HG22 THR 101 HG22 THR 101 5.677 -5.728 -7.722 909 HG23 THR 101 HG23 THR 101 5.884 -6.175 -6.027 910 H GLU 102 H GLU 102 2.046 -3.406 -4.924 911 HA GLU 102 HA GLU 102 -0.576 -4.706 -5.285 912 HB2 GLU 102 HB3 GLU 102 -0.231 -3.530 -3.105 913 HB3 GLU 102 HB2 GLU 102 0.015 -2.032 -3.993 914 HG2 GLU 102 HG3 GLU 102 -2.261 -2.208 -4.895 915 HG3 GLU 102 HG2 GLU 102 -2.504 -3.683 -3.962 916 H THR 103 H THR 103 -1.056 -4.565 -7.406 917 HA THR 103 HA THR 103 -0.213 -2.177 -8.870 918 HB THR 103 HB THR 103 -1.294 -4.774 -9.981 919 HG1 THR 103 HG1 THR 103 0.610 -5.491 -9.366 920 HG21 THR 103 HG21 THR 103 -0.306 -4.017 -12.075 921 HG22 THR 103 HG22 THR 103 0.269 -2.544 -11.292 922 HG23 THR 103 HG23 THR 103 -1.463 -2.824 -11.483 923 H HIS 104 H HIS 104 -1.654 -0.610 -9.020 924 HA HIS 104 HA HIS 104 -4.518 -1.223 -9.060 925 HB2 HIS 104 HB3 HIS 104 -3.054 1.428 -8.909 926 HB3 HIS 104 HB2 HIS 104 -4.801 1.245 -8.920 927 HD1 HIS 104 HD1 HIS 104 -4.104 2.731 -6.627 928 HD2 HIS 104 HD2 HIS 104 -3.644 -1.406 -6.591 929 HE1 HIS 104 HE1 HIS 104 -4.175 2.060 -4.205 930 HE2 HIS 104 HE2 HIS 104 -3.701 -0.418 -4.195 931 H ILE 105 H ILE 105 -5.013 -1.914 -11.157 932 HA ILE 105 HA ILE 105 -4.185 -0.107 -13.319 933 HB ILE 105 HB ILE 105 -5.288 -2.905 -13.507 934 HG12 ILE 105 HG13 ILE 105 -2.538 -1.717 -13.899 935 HG13 ILE 105 HG12 ILE 105 -3.022 -2.963 -12.752 936 HG21 ILE 105 HG21 ILE 105 -6.068 -1.609 -15.393 937 HG22 ILE 105 HG22 ILE 105 -4.780 -2.687 -15.930 938 HG23 ILE 105 HG23 ILE 105 -4.446 -0.976 -15.676 939 HD11 ILE 105 HD11 ILE 105 -1.758 -3.878 -14.617 940 HD12 ILE 105 HD12 ILE 105 -2.973 -3.259 -15.737 941 HD13 ILE 105 HD13 ILE 105 -3.403 -4.511 -14.573 942 H LYS 106 H LYS 106 -5.567 1.409 -13.776 943 HA LYS 106 HA LYS 106 -8.271 1.413 -13.058 944 HB2 LYS 106 HB3 LYS 106 -6.905 3.059 -15.183 945 HB3 LYS 106 HB2 LYS 106 -8.477 3.401 -14.467 946 HG2 LYS 106 HG3 LYS 106 -7.294 3.527 -12.238 947 HG3 LYS 106 HG2 LYS 106 -5.780 3.496 -13.144 948 HD2 LYS 106 HD3 LYS 106 -7.964 5.570 -13.271 949 HD3 LYS 106 HD2 LYS 106 -6.306 5.778 -12.707 950 HE2 LYS 106 HE3 LYS 106 -5.517 5.249 -14.992 951 HE3 LYS 106 HE2 LYS 106 -7.197 5.210 -15.524 952 HZ1 LYS 106 HZ1 LYS 106 -6.427 7.346 -16.023 953 HZ2 LYS 106 HZ2 LYS 106 -5.643 7.528 -14.539 954 HZ3 LYS 106 HZ3 LYS 106 -7.337 7.550 -14.613 955 H VAL 107 H VAL 107 -9.792 0.202 -13.811 956 HA VAL 107 HA VAL 107 -9.840 -1.254 -16.153 957 HB VAL 107 HB VAL 107 -12.342 -1.307 -15.886 958 HG11 VAL 107 HG11 VAL 107 -10.601 -1.989 -13.523 959 HG12 VAL 107 HG12 VAL 107 -10.934 -3.021 -14.915 960 HG13 VAL 107 HG13 VAL 107 -12.230 -2.608 -13.791 961 HG21 VAL 107 HG21 VAL 107 -13.131 -0.402 -13.696 962 HG22 VAL 107 HG22 VAL 107 -12.687 0.816 -14.895 963 HG23 VAL 107 HG23 VAL 107 -11.583 0.435 -13.582 964 H ASP 108 H ASP 108 -10.560 2.054 -15.598 965 HA ASP 108 HA ASP 108 -11.987 2.518 -18.033 966 HB2 ASP 108 HB3 ASP 108 -10.768 4.345 -15.965 967 HB3 ASP 108 HB2 ASP 108 -11.540 4.960 -17.422 968 H ASP 109 H ASP 109 -8.723 3.322 -16.871 969 HA ASP 109 HA ASP 109 -7.782 3.260 -19.630 970 HB2 ASP 109 HB3 ASP 109 -7.436 5.575 -17.722 971 HB3 ASP 109 HB2 ASP 109 -6.324 5.304 -19.060 972 HA PRO 110 HA PRO 110 -5.144 0.743 -16.961 973 HB2 PRO 110 HB3 PRO 110 -4.534 -1.063 -18.859 974 HB3 PRO 110 HB2 PRO 110 -6.076 -1.074 -18.004 975 HG2 PRO 110 HG3 PRO 110 -5.437 0.007 -20.719 976 HG3 PRO 110 HG2 PRO 110 -6.822 -0.963 -20.193 977 HD2 PRO 110 HD3 PRO 110 -6.949 1.713 -20.496 978 HD3 PRO 110 HD2 PRO 110 -7.919 0.828 -19.311 979 H THR 111 H THR 111 -4.432 2.957 -19.243 980 HA THR 111 HA THR 111 -1.622 2.255 -19.535 981 HB THR 111 HB THR 111 -1.505 4.397 -20.826 982 HG1 THR 111 HG1 THR 111 -4.119 4.761 -21.234 983 HG21 THR 111 HG21 THR 111 -1.964 2.265 -21.954 984 HG22 THR 111 HG22 THR 111 -2.808 3.600 -22.739 985 HG23 THR 111 HG23 THR 111 -3.690 2.496 -21.681 986 H ASP 112 H ASP 112 -3.705 4.096 -17.540 987 HA ASP 112 HA ASP 112 -1.473 5.686 -16.463 988 HB2 ASP 112 HB3 ASP 112 -3.422 6.934 -17.406 989 HB3 ASP 112 HB2 ASP 112 -4.453 6.157 -16.214 990 H VAL 113 H VAL 113 -1.573 3.085 -15.728 991 HA VAL 113 HA VAL 113 -3.021 2.565 -13.372 992 HB VAL 113 HB VAL 113 -1.660 0.614 -13.129 993 HG11 VAL 113 HG11 VAL 113 -2.144 1.180 -16.042 994 HG12 VAL 113 HG12 VAL 113 -3.344 0.601 -14.888 995 HG13 VAL 113 HG13 VAL 113 -1.966 -0.413 -15.308 996 HG21 VAL 113 HG21 VAL 113 0.153 1.805 -15.213 997 HG22 VAL 113 HG22 VAL 113 0.307 0.197 -14.502 998 HG23 VAL 113 HG23 VAL 113 0.521 1.632 -13.498 999 H GLU 114 H GLU 114 -1.645 1.753 -11.394 1000 HA GLU 114 HA GLU 114 0.641 3.415 -10.767 1001 HB2 GLU 114 HB3 GLU 114 -1.153 4.887 -10.111 1002 HB3 GLU 114 HB2 GLU 114 -1.960 3.594 -9.236 1003 HG2 GLU 114 HG3 GLU 114 -0.168 3.532 -7.613 1004 HG3 GLU 114 HG2 GLU 114 0.723 4.756 -8.520 1005 H THR 115 H THR 115 1.918 2.488 -9.127 1006 HA THR 115 HA THR 115 0.913 0.036 -7.904 1007 HB THR 115 HB THR 115 3.501 0.079 -9.468 1008 HG1 THR 115 HG1 THR 115 0.971 -0.195 -10.323 1009 HG21 THR 115 HG21 THR 115 3.432 -2.355 -9.146 1010 HG22 THR 115 HG22 THR 115 1.965 -2.186 -8.182 1011 HG23 THR 115 HG23 THR 115 3.486 -1.506 -7.602 1012 H TYR 116 H TYR 116 1.770 -0.430 -5.983 1013 HA TYR 116 HA TYR 116 4.037 1.204 -5.016 1014 HB2 TYR 116 HB3 TYR 116 2.158 -0.050 -3.061 1015 HB3 TYR 116 HB2 TYR 116 3.106 1.421 -2.909 1016 HD1 TYR 116 HD1 TYR 116 2.278 3.256 -4.837 1017 HD2 TYR 116 HD2 TYR 116 -0.079 0.269 -2.944 1018 HE1 TYR 116 HE1 TYR 116 0.254 4.576 -5.292 1019 HE2 TYR 116 HE2 TYR 116 -2.111 1.573 -3.399 1020 HH TYR 116 HH TYR 116 -2.056 4.426 -5.437 1021 H GLU 117 H GLU 117 5.368 -0.071 -3.290 1022 HA GLU 117 HA GLU 117 5.100 -2.940 -3.680 1023 HB2 GLU 117 HB3 GLU 117 7.749 -1.489 -3.840 1024 HB3 GLU 117 HB2 GLU 117 7.469 -3.204 -4.067 1025 HG2 GLU 117 HG3 GLU 117 6.140 -2.660 -6.089 1026 HG3 GLU 117 HG2 GLU 117 6.603 -0.972 -5.886 1027 H TYR 118 H TYR 118 5.152 -3.899 -1.752 1028 HA TYR 118 HA TYR 118 5.781 -2.255 0.577 1029 HB2 TYR 118 HB3 TYR 118 4.344 -4.906 0.317 1030 HB3 TYR 118 HB2 TYR 118 4.632 -4.081 1.843 1031 HD1 TYR 118 HD1 TYR 118 3.086 -2.543 2.634 1032 HD2 TYR 118 HD2 TYR 118 3.001 -3.561 -1.487 1033 HE1 TYR 118 HE1 TYR 118 1.041 -1.221 2.344 1034 HE2 TYR 118 HE2 TYR 118 0.973 -2.252 -1.779 1035 HH TYR 118 HH TYR 118 -0.759 -1.357 -0.621 1036 H ARG 119 H ARG 119 7.701 -2.387 1.437 1037 HA ARG 119 HA ARG 119 9.184 -4.931 1.269 1038 HB2 ARG 119 HB3 ARG 119 10.288 -2.113 1.271 1039 HB3 ARG 119 HB2 ARG 119 11.243 -3.588 1.216 1040 HG2 ARG 119 HG3 ARG 119 10.335 -4.138 -0.954 1041 HG3 ARG 119 HG2 ARG 119 9.270 -2.733 -0.892 1042 HD2 ARG 119 HD3 ARG 119 12.283 -2.628 -0.841 1043 HD3 ARG 119 HD2 ARG 119 11.286 -2.361 -2.271 1044 HE ARG 119 HE ARG 119 10.393 -0.605 -0.317 1045 HH11 ARG 119 HH11 ARG 119 13.325 -1.187 -2.130 1046 HH12 ARG 119 HH12 ARG 119 13.813 0.480 -2.127 1047 HH21 ARG 119 HH21 ARG 119 11.025 1.608 -0.332 1048 HH22 ARG 119 HH22 ARG 119 12.494 2.075 -1.125 1049 H ARG 120 H ARG 120 10.584 -5.395 3.073 1050 HA ARG 120 HA ARG 120 9.741 -4.068 5.552 1051 HB2 ARG 120 HB3 ARG 120 10.992 -6.750 4.999 1052 HB3 ARG 120 HB2 ARG 120 10.999 -6.052 6.613 1053 HG2 ARG 120 HG3 ARG 120 8.517 -6.578 4.995 1054 HG3 ARG 120 HG2 ARG 120 9.168 -7.668 6.219 1055 HD2 ARG 120 HD3 ARG 120 8.245 -4.830 6.681 1056 HD3 ARG 120 HD2 ARG 120 7.361 -6.290 7.120 1057 HE ARG 120 HE ARG 120 10.015 -6.065 8.260 1058 HH11 ARG 120 HH11 ARG 120 6.583 -5.556 8.717 1059 HH12 ARG 120 HH12 ARG 120 6.710 -5.401 10.439 1060 HH21 ARG 120 HH21 ARG 120 10.178 -5.881 10.527 1061 HH22 ARG 120 HH22 ARG 120 8.742 -5.586 11.463 1062 H ASP 121 H ASP 121 11.151 -2.993 6.830 1063 HA ASP 121 HA ASP 121 14.015 -3.299 6.337 1064 HB2 ASP 121 HB3 ASP 121 13.113 -1.268 5.077 1065 HB3 ASP 121 HB2 ASP 121 12.803 -0.557 6.658 1066 H GLY 122 H GLY 122 14.176 -4.406 8.253 1067 HA2 GLY 122 HA3 GLY 122 14.492 -4.620 10.524 1068 HA3 GLY 122 HA2 GLY 122 14.280 -2.879 10.663 1069 H ASP 123 H ASP 123 12.536 -2.230 11.740 1070 HA ASP 123 HA ASP 123 10.262 -4.082 11.934 1071 HB2 ASP 123 HB3 ASP 123 9.599 -2.804 13.947 1072 HB3 ASP 123 HB2 ASP 123 11.206 -3.504 14.104 1073 H TYR 124 H TYR 124 11.095 -1.869 9.908 1074 HA TYR 124 HA TYR 124 8.600 -0.317 9.999 1075 HB2 TYR 124 HB3 TYR 124 11.219 0.207 8.581 1076 HB3 TYR 124 HB2 TYR 124 9.767 1.167 8.329 1077 HD1 TYR 124 HD1 TYR 124 12.410 0.292 10.732 1078 HD2 TYR 124 HD2 TYR 124 9.044 2.773 9.955 1079 HE1 TYR 124 HE1 TYR 124 13.031 1.721 12.633 1080 HE2 TYR 124 HE2 TYR 124 9.650 4.206 11.859 1081 HH TYR 124 HH TYR 124 12.678 3.929 13.477 1082 H LEU 125 H LEU 125 7.141 -0.420 8.373 1083 HA LEU 125 HA LEU 125 7.614 -2.239 6.154 1084 HB2 LEU 125 HB3 LEU 125 5.481 -2.310 7.430 1085 HB3 LEU 125 HB2 LEU 125 5.175 -0.645 7.008 1086 HG LEU 125 HG LEU 125 3.885 -2.483 5.768 1087 HD11 LEU 125 HD11 LEU 125 3.768 -1.199 3.748 1088 HD12 LEU 125 HD12 LEU 125 5.325 -0.445 4.085 1089 HD13 LEU 125 HD13 LEU 125 3.937 -0.101 5.116 1090 HD21 LEU 125 HD21 LEU 125 5.810 -3.919 5.287 1091 HD22 LEU 125 HD22 LEU 125 6.479 -2.662 4.245 1092 HD23 LEU 125 HD23 LEU 125 4.954 -3.444 3.820 1093 H VAL 126 H VAL 126 8.367 -1.443 4.271 1094 HA VAL 126 HA VAL 126 8.399 1.490 4.005 1095 HB VAL 126 HB VAL 126 10.473 -0.469 3.002 1096 HG11 VAL 126 HG11 VAL 126 10.218 1.423 1.486 1097 HG12 VAL 126 HG12 VAL 126 11.746 1.537 2.362 1098 HG13 VAL 126 HG13 VAL 126 10.379 2.546 2.837 1099 HG21 VAL 126 HG21 VAL 126 10.592 1.581 5.211 1100 HG22 VAL 126 HG22 VAL 126 11.955 0.624 4.631 1101 HG23 VAL 126 HG23 VAL 126 10.588 -0.172 5.411 1102 H MET 127 H MET 127 7.283 2.241 2.404 1103 HA MET 127 HA MET 127 6.386 0.427 0.301 1104 HB2 MET 127 HB3 MET 127 4.605 1.641 1.266 1105 HB3 MET 127 HB2 MET 127 5.511 3.146 1.226 1106 HG2 MET 127 HG3 MET 127 5.222 3.395 -1.078 1107 HG3 MET 127 HG2 MET 127 4.712 1.720 -1.280 1108 HE1 MET 127 HE1 MET 127 2.403 0.835 -0.988 1109 HE2 MET 127 HE2 MET 127 1.124 1.619 -0.060 1110 HE3 MET 127 HE3 MET 127 2.592 1.068 0.751 1111 H LYS 128 H LYS 128 6.953 0.615 -1.798 1112 HA LYS 128 HA LYS 128 8.749 2.836 -2.510 1113 HB2 LYS 128 HB3 LYS 128 10.013 0.769 -2.416 1114 HB3 LYS 128 HB2 LYS 128 8.817 -0.052 -3.401 1115 HG2 LYS 128 HG3 LYS 128 10.655 0.408 -4.800 1116 HG3 LYS 128 HG2 LYS 128 9.386 1.546 -5.249 1117 HD2 LYS 128 HD3 LYS 128 10.471 3.290 -3.946 1118 HD3 LYS 128 HD2 LYS 128 11.720 2.151 -3.437 1119 HE2 LYS 128 HE3 LYS 128 11.164 3.080 -6.252 1120 HE3 LYS 128 HE2 LYS 128 12.542 3.533 -5.251 1121 HZ1 LYS 128 HZ1 LYS 128 11.938 0.802 -6.262 1122 HZ2 LYS 128 HZ2 LYS 128 13.241 1.201 -5.257 1123 HZ3 LYS 128 HZ3 LYS 128 13.158 1.829 -6.826 1124 H MET 129 H MET 129 7.788 4.151 -3.880 1125 HA MET 129 HA MET 129 5.904 3.028 -5.863 1126 HB2 MET 129 HB3 MET 129 5.742 5.837 -4.769 1127 HB3 MET 129 HB2 MET 129 4.504 4.932 -5.626 1128 HG2 MET 129 HG3 MET 129 3.946 3.678 -3.768 1129 HG3 MET 129 HG2 MET 129 5.490 3.977 -2.978 1130 HE1 MET 129 HE1 MET 129 1.915 5.208 -3.710 1131 HE2 MET 129 HE2 MET 129 2.788 6.468 -4.582 1132 HE3 MET 129 HE3 MET 129 1.902 6.864 -3.108 1133 H SER 130 H SER 130 6.370 3.583 -7.987 1134 HA SER 130 HA SER 130 8.178 5.828 -8.413 1135 HB2 SER 130 HB3 SER 130 9.466 4.369 -10.073 1136 HB3 SER 130 HB2 SER 130 9.767 4.095 -8.360 1137 HG SER 130 HG SER 130 8.891 2.168 -8.500 1138 H TRP 131 H TRP 131 7.619 7.043 -10.029 1139 HA TRP 131 HA TRP 131 6.183 5.926 -12.319 1140 HB2 TRP 131 HB3 TRP 131 4.528 6.796 -10.573 1141 HB3 TRP 131 HB2 TRP 131 5.161 8.403 -10.928 1142 HD1 TRP 131 HD1 TRP 131 4.135 9.634 -12.958 1143 HE1 TRP 131 HE1 TRP 131 2.458 9.002 -14.805 1144 HE3 TRP 131 HE3 TRP 131 3.771 4.621 -12.045 1145 HZ2 TRP 131 HZ2 TRP 131 1.160 6.687 -15.753 1146 HZ3 TRP 131 HZ3 TRP 131 2.286 3.269 -13.462 1147 HH2 TRP 131 HH2 TRP 131 1.010 4.280 -15.282 1148 H LYS 132 H LYS 132 6.839 6.781 -14.180 1149 HA LYS 132 HA LYS 132 8.212 7.858 -15.603 1150 HB2 LYS 132 HB3 LYS 132 7.300 10.235 -13.983 1151 HB3 LYS 132 HB2 LYS 132 8.085 10.330 -15.552 1152 HG2 LYS 132 HG3 LYS 132 6.209 9.092 -16.546 1153 HG3 LYS 132 HG2 LYS 132 5.414 9.065 -14.970 1154 HD2 LYS 132 HD3 LYS 132 5.474 11.551 -14.967 1155 HD3 LYS 132 HD2 LYS 132 6.113 11.497 -16.610 1156 HE2 LYS 132 HE3 LYS 132 3.469 10.364 -15.712 1157 HE3 LYS 132 HE2 LYS 132 3.688 11.889 -16.561 1158 HZ1 LYS 132 HZ1 LYS 132 3.026 10.122 -18.064 1159 HZ2 LYS 132 HZ2 LYS 132 4.378 9.206 -17.633 1160 HZ3 LYS 132 HZ3 LYS 132 4.578 10.674 -18.449 1161 H GLY 133 H GLY 133 9.644 6.655 -13.640 1162 HA2 GLY 133 HA3 GLY 133 11.884 6.589 -13.053 1163 HA3 GLY 133 HA2 GLY 133 12.059 8.231 -13.650 1164 H VAL 134 H VAL 134 9.680 8.944 -11.851 1165 HA VAL 134 HA VAL 134 11.314 9.838 -9.670 1166 HB VAL 134 HB VAL 134 8.310 10.044 -9.902 1167 HG11 VAL 134 HG11 VAL 134 10.316 11.655 -8.327 1168 HG12 VAL 134 HG12 VAL 134 9.185 10.472 -7.670 1169 HG13 VAL 134 HG13 VAL 134 8.580 11.960 -8.400 1170 HG21 VAL 134 HG21 VAL 134 10.436 11.934 -10.904 1171 HG22 VAL 134 HG22 VAL 134 8.713 12.302 -10.819 1172 HG23 VAL 134 HG23 VAL 134 9.289 11.019 -11.883 1173 H SER 135 H SER 135 11.904 8.406 -8.163 1174 HA SER 135 HA SER 135 9.987 6.399 -7.287 1175 HB2 SER 135 HB3 SER 135 12.848 6.512 -6.464 1176 HB3 SER 135 HB2 SER 135 11.804 5.127 -6.672 1177 HG SER 135 HG SER 135 12.270 6.636 -8.942 1178 H THR 136 H THR 136 9.262 6.333 -5.282 1179 HA THR 136 HA THR 136 10.358 8.160 -3.269 1180 HB THR 136 HB THR 136 8.413 9.316 -4.143 1181 HG1 THR 136 HG1 THR 136 8.757 9.262 -1.826 1182 HG21 THR 136 HG21 THR 136 6.826 6.841 -3.472 1183 HG22 THR 136 HG22 THR 136 7.240 7.380 -5.101 1184 HG23 THR 136 HG23 THR 136 6.177 8.361 -4.089 1185 H SER 137 H SER 137 10.552 7.284 -1.288 1186 HA SER 137 HA SER 137 9.247 4.691 -0.821 1187 HB2 SER 137 HB3 SER 137 11.879 5.695 0.292 1188 HB3 SER 137 HB2 SER 137 11.114 4.168 0.720 1189 HG SER 137 HG SER 137 12.156 4.964 -1.791 1190 H ARG 138 H ARG 138 7.546 5.008 0.442 1191 HA ARG 138 HA ARG 138 7.626 7.086 2.479 1192 HB2 ARG 138 HB3 ARG 138 5.346 5.196 1.912 1193 HB3 ARG 138 HB2 ARG 138 5.282 6.718 2.786 1194 HG2 ARG 138 HG3 ARG 138 6.121 7.689 0.491 1195 HG3 ARG 138 HG2 ARG 138 5.395 6.208 -0.137 1196 HD2 ARG 138 HD3 ARG 138 3.658 7.761 -0.233 1197 HD3 ARG 138 HD2 ARG 138 3.339 6.864 1.253 1198 HE ARG 138 HE ARG 138 4.909 9.269 1.584 1199 HH11 ARG 138 HH11 ARG 138 1.719 7.848 1.657 1200 HH12 ARG 138 HH12 ARG 138 1.010 9.175 2.522 1201 HH21 ARG 138 HH21 ARG 138 3.978 11.022 2.731 1202 HH22 ARG 138 HH22 ARG 138 2.289 10.977 3.130 1203 H TYR 139 H TYR 139 7.849 6.697 4.611 1204 HA TYR 139 HA TYR 139 8.548 3.939 5.293 1205 HB2 TYR 139 HB3 TYR 139 9.300 6.560 6.589 1206 HB3 TYR 139 HB2 TYR 139 9.736 4.982 7.235 1207 HD1 TYR 139 HD1 TYR 139 10.460 7.494 4.698 1208 HD2 TYR 139 HD2 TYR 139 11.318 3.542 6.017 1209 HE1 TYR 139 HE1 TYR 139 12.463 7.458 3.268 1210 HE2 TYR 139 HE2 TYR 139 13.321 3.494 4.595 1211 HH TYR 139 HH TYR 139 14.137 4.626 2.537 1212 H TYR 140 H TYR 140 7.023 2.837 6.211 1213 HA TYR 140 HA TYR 140 5.210 4.158 8.117 1214 HB2 TYR 140 HB3 TYR 140 4.885 1.495 6.702 1215 HB3 TYR 140 HB2 TYR 140 3.716 2.231 7.789 1216 HD1 TYR 140 HD1 TYR 140 2.157 3.838 6.997 1217 HD2 TYR 140 HD2 TYR 140 5.338 2.557 4.482 1218 HE1 TYR 140 HE1 TYR 140 1.098 4.963 5.089 1219 HE2 TYR 140 HE2 TYR 140 4.280 3.676 2.565 1220 HH TYR 140 HH TYR 140 1.676 5.869 2.920 1221 H LYS 141 H LYS 141 5.292 3.527 10.216 1222 HA LYS 141 HA LYS 141 6.971 1.194 10.851 1223 HB2 LYS 141 HB3 LYS 141 7.281 2.071 13.037 1224 HB3 LYS 141 HB2 LYS 141 7.685 3.332 11.878 1225 HG2 LYS 141 HG3 LYS 141 5.892 4.619 12.442 1226 HG3 LYS 141 HG2 LYS 141 4.927 3.234 12.974 1227 HD2 LYS 141 HD3 LYS 141 5.724 4.679 14.823 1228 HD3 LYS 141 HD2 LYS 141 6.239 3.001 14.951 1229 HE2 LYS 141 HE3 LYS 141 8.382 3.635 13.858 1230 HE3 LYS 141 HE2 LYS 141 7.886 5.324 13.969 1231 HZ1 LYS 141 HZ1 LYS 141 8.221 3.496 16.285 1232 HZ2 LYS 141 HZ2 LYS 141 7.830 5.140 16.362 1233 HZ3 LYS 141 HZ3 LYS 141 9.346 4.657 15.796 1234 H LYS 142 H LYS 142 6.066 -0.096 12.745 1235 HA LYS 142 HA LYS 142 3.424 -0.833 12.386 1236 HB2 LYS 142 HB3 LYS 142 5.300 -2.000 13.689 1237 HB3 LYS 142 HB2 LYS 142 4.815 -1.005 15.051 1238 HG2 LYS 142 HG3 LYS 142 2.607 -1.988 15.031 1239 HG3 LYS 142 HG2 LYS 142 3.015 -2.926 13.592 1240 HD2 LYS 142 HD3 LYS 142 4.814 -4.037 14.883 1241 HD3 LYS 142 HD2 LYS 142 4.280 -3.162 16.320 1242 HE2 LYS 142 HE3 LYS 142 2.100 -4.225 16.176 1243 HE3 LYS 142 HE2 LYS 142 2.588 -5.064 14.706 1244 HZ1 LYS 142 HZ1 LYS 142 4.294 -6.213 15.978 1245 HZ2 LYS 142 HZ2 LYS 142 2.761 -6.500 16.629 1246 HZ3 LYS 142 HZ3 LYS 142 3.809 -5.415 17.388 1247 H GLN 143 H GLN 143 1.494 -0.458 13.839 1248 HA GLN 143 HA GLN 143 1.570 2.027 15.310 1249 HB2 GLN 143 HB3 GLN 143 -0.540 -0.102 14.936 1250 HB3 GLN 143 HB2 GLN 143 -0.763 1.224 16.064 1251 HG2 GLN 143 HG3 GLN 143 -0.086 1.781 13.212 1252 HG3 GLN 143 HG2 GLN 143 -1.734 1.369 13.674 1253 HE21 GLN 143 HE21 GLN 143 0.486 3.194 15.685 1254 HE22 GLN 143 HE22 GLN 143 -0.384 4.680 15.613 1255 H21 OLA1001 H21 OLA1001 -1.777 6.014 -1.388 1256 H22 OLA1001 H22 OLA1001 -0.388 5.398 -2.280 1257 H31 OLA1001 H31 OLA1001 0.295 7.163 -0.769 1258 H32 OLA1001 H32 OLA1001 0.994 5.623 -0.267 1259 H41 OLA1001 H41 OLA1001 0.216 6.679 1.705 1260 H42 OLA1001 H42 OLA1001 -0.935 5.396 1.336 1261 H51 OLA1001 H51 OLA1001 -2.146 7.376 1.980 1262 H52 OLA1001 H52 OLA1001 -2.401 7.081 0.260 1263 H61 OLA1001 H61 OLA1001 -0.884 8.802 -0.351 1264 H62 OLA1001 H62 OLA1001 -0.295 8.959 1.302 1265 H71 OLA1001 H71 OLA1001 -1.770 10.799 0.775 1266 H72 OLA1001 H72 OLA1001 -2.507 9.766 1.998 1267 H81 OLA1001 H81 OLA1001 -4.018 8.843 0.476 1268 H82 OLA1001 H82 OLA1001 -3.097 9.411 -0.911 1269 H9 OLA1001 H9 OLA1001 -3.914 11.742 0.482 1270 H10 OLA1001 H10 OLA1001 -6.006 11.843 -0.633 1271 H111 OLA1001 H111 OLA1001 -6.668 9.216 -0.598 1272 H112 OLA1001 H112 OLA1001 -5.320 9.132 -1.716 1273 H121 OLA1001 H121 OLA1001 -7.702 10.920 -2.098 1274 H122 OLA1001 H122 OLA1001 -7.556 9.300 -2.786 1275 H131 OLA1001 H131 OLA1001 -5.356 11.257 -3.249 1276 H132 OLA1001 H132 OLA1001 -6.859 11.442 -4.155 1277 H141 OLA1001 H141 OLA1001 -5.549 10.128 -5.558 1278 H142 OLA1001 H142 OLA1001 -6.595 8.974 -4.744 1279 H151 OLA1001 H151 OLA1001 -4.314 8.144 -4.905 1280 H152 OLA1001 H152 OLA1001 -4.808 8.352 -3.231 1281 H161 OLA1001 H161 OLA1001 -3.515 10.343 -3.000 1282 H162 OLA1001 H162 OLA1001 -3.237 10.422 -4.744 1283 H171 OLA1001 H171 OLA1001 -1.956 8.326 -4.608 1284 H172 OLA1001 H172 OLA1001 -2.196 8.322 -2.859 1285 H181 OLA1001 H181 OLA1001 -0.688 10.362 -4.469 1286 H182 OLA1001 H182 OLA1001 -0.016 9.172 -3.350 1287 H183 OLA1001 H183 OLA1001 -1.028 10.488 -2.736 Start of MODEL 11 1 H1 MET -11 H1 MET -11 3.066 -18.825 -21.332 2 H2 MET -11 H2 MET -11 1.442 -18.446 -21.057 3 H3 MET -11 H3 MET -11 2.301 -19.353 -19.920 4 HA MET -11 HA MET -11 2.823 -16.535 -20.656 5 HB2 MET -11 HB3 MET -11 0.798 -16.782 -19.312 6 HB3 MET -11 HB2 MET -11 1.674 -17.747 -18.133 7 HG2 MET -11 HG3 MET -11 1.331 -15.451 -17.375 8 HG3 MET -11 HG2 MET -11 3.040 -15.845 -17.538 9 HE1 MET -11 HE1 MET -11 3.622 -13.234 -17.420 10 HE2 MET -11 HE2 MET -11 1.902 -12.885 -17.254 11 HE3 MET -11 HE3 MET -11 2.863 -12.027 -18.459 12 H ARG -10 H ARG -10 3.530 -19.030 -18.191 13 HA ARG -10 HA ARG -10 6.368 -18.357 -18.435 14 HB2 ARG -10 HB3 ARG -10 6.644 -18.398 -15.985 15 HB3 ARG -10 HB2 ARG -10 5.608 -17.079 -16.507 16 HG2 ARG -10 HG3 ARG -10 3.675 -18.130 -15.708 17 HG3 ARG -10 HG2 ARG -10 4.480 -19.694 -15.573 18 HD2 ARG -10 HD3 ARG -10 4.135 -18.630 -13.386 19 HD3 ARG -10 HD2 ARG -10 5.841 -18.876 -13.752 20 HE ARG -10 HE ARG -10 4.712 -16.255 -14.360 21 HH11 ARG -10 HH11 ARG -10 6.665 -18.252 -12.250 22 HH12 ARG -10 HH12 ARG -10 7.385 -16.904 -11.430 23 HH21 ARG -10 HH21 ARG -10 5.663 -14.481 -13.284 24 HH22 ARG -10 HH22 ARG -10 6.812 -14.761 -12.016 25 H GLY -9 H GLY -9 4.586 -20.593 -19.263 26 HA2 GLY -9 HA3 GLY -9 5.093 -22.865 -19.508 27 HA3 GLY -9 HA2 GLY -9 6.169 -22.756 -18.121 28 H SER -8 H SER -8 3.040 -23.543 -19.228 29 HA SER -8 HA SER -8 1.779 -23.442 -16.641 30 HB2 SER -8 HB3 SER -8 0.797 -24.532 -19.285 31 HB3 SER -8 HB2 SER -8 -0.189 -24.332 -17.836 32 HG SER -8 HG SER -8 0.039 -22.138 -17.980 33 H HIS -7 H HIS -7 3.890 -24.993 -16.249 34 HA HIS -7 HA HIS -7 2.591 -27.582 -15.761 35 HB2 HIS -7 HB3 HIS -7 4.368 -27.739 -17.579 36 HB3 HIS -7 HB2 HIS -7 5.547 -27.321 -16.343 37 HD1 HIS -7 HD1 HIS -7 3.559 -30.134 -17.667 38 HD2 HIS -7 HD2 HIS -7 5.887 -29.329 -14.316 39 HE1 HIS -7 HE1 HIS -7 4.018 -32.368 -16.604 40 HE2 HIS -7 HE2 HIS -7 5.317 -31.843 -14.514 41 H HIS -6 H HIS -6 5.659 -25.991 -14.914 42 HA HIS -6 HA HIS -6 5.171 -26.542 -12.101 43 HB2 HIS -6 HB3 HIS -6 7.445 -26.773 -13.277 44 HB3 HIS -6 HB2 HIS -6 7.498 -25.015 -13.279 45 HD1 HIS -6 HD1 HIS -6 9.500 -24.883 -11.704 46 HD2 HIS -6 HD2 HIS -6 6.266 -26.947 -10.099 47 HE1 HIS -6 HE1 HIS -6 10.053 -25.227 -9.278 48 HE2 HIS -6 HE2 HIS -6 8.128 -26.556 -8.348 49 H HIS -5 H HIS -5 4.342 -25.063 -10.720 50 HA HIS -5 HA HIS -5 3.334 -23.164 -9.979 51 HB2 HIS -5 HB3 HIS -5 5.295 -21.866 -11.850 52 HB3 HIS -5 HB2 HIS -5 4.153 -20.953 -10.880 53 HD1 HIS -5 HD1 HIS -5 4.744 -20.522 -8.482 54 HD2 HIS -5 HD2 HIS -5 7.290 -23.251 -10.307 55 HE1 HIS -5 HE1 HIS -5 6.621 -20.888 -6.851 56 HE2 HIS -5 HE2 HIS -5 8.226 -22.417 -8.044 57 H HIS -4 H HIS -4 1.997 -24.638 -11.887 58 HA HIS -4 HA HIS -4 0.948 -22.854 -13.888 59 HB2 HIS -4 HB3 HIS -4 -0.636 -24.685 -14.415 60 HB3 HIS -4 HB2 HIS -4 1.037 -25.217 -14.429 61 HD1 HIS -4 HD1 HIS -4 1.698 -27.070 -12.789 62 HD2 HIS -4 HD2 HIS -4 -2.216 -25.742 -12.300 63 HE1 HIS -4 HE1 HIS -4 0.606 -28.723 -11.244 64 HE2 HIS -4 HE2 HIS -4 -1.790 -27.975 -11.067 65 H HIS -3 H HIS -3 -0.123 -24.171 -10.812 66 HA HIS -3 HA HIS -3 -1.690 -21.860 -10.223 67 HB2 HIS -3 HB3 HIS -3 -3.081 -24.422 -10.962 68 HB3 HIS -3 HB2 HIS -3 -3.763 -23.398 -9.707 69 HD1 HIS -3 HD1 HIS -3 -4.249 -20.822 -10.552 70 HD2 HIS -3 HD2 HIS -3 -3.862 -23.755 -13.476 71 HE1 HIS -3 HE1 HIS -3 -5.310 -19.864 -12.619 72 HE2 HIS -3 HE2 HIS -3 -5.171 -21.696 -14.338 73 H HIS -2 H HIS -2 -0.011 -21.997 -8.585 74 HA HIS -2 HA HIS -2 -0.229 -24.263 -6.741 75 HB2 HIS -2 HB3 HIS -2 2.016 -23.543 -7.624 76 HB3 HIS -2 HB2 HIS -2 1.824 -22.040 -6.728 77 HD1 HIS -2 HD1 HIS -2 2.937 -22.069 -4.529 78 HD2 HIS -2 HD2 HIS -2 1.778 -25.879 -5.711 79 HE1 HIS -2 HE1 HIS -2 3.739 -23.610 -2.713 80 HE2 HIS -2 HE2 HIS -2 2.903 -25.892 -3.382 81 H GLY -1 H GLY -1 -1.547 -21.280 -7.127 82 HA2 GLY -1 HA3 GLY -1 -3.103 -20.340 -5.639 83 HA3 GLY -1 HA2 GLY -1 -2.334 -21.209 -4.321 84 H SER 0 H SER 0 -2.311 -19.305 -3.086 85 HA SER 0 HA SER 0 -0.964 -16.957 -4.067 86 HB2 SER 0 HB3 SER 0 -1.825 -17.467 -1.226 87 HB3 SER 0 HB2 SER 0 -1.684 -15.922 -2.066 88 HG SER 0 HG SER 0 -3.813 -17.494 -1.834 89 H LYS 1 H LYS 1 1.138 -16.430 -3.725 90 HA LYS 1 HA LYS 1 2.906 -17.998 -2.142 91 HB2 LYS 1 HB3 LYS 1 3.246 -15.068 -2.826 92 HB3 LYS 1 HB2 LYS 1 4.509 -16.225 -2.443 93 HG2 LYS 1 HG3 LYS 1 4.101 -17.406 -4.521 94 HG3 LYS 1 HG2 LYS 1 2.775 -16.307 -4.902 95 HD2 LYS 1 HD3 LYS 1 4.391 -14.424 -4.864 96 HD3 LYS 1 HD2 LYS 1 5.693 -15.591 -4.624 97 HE2 LYS 1 HE3 LYS 1 5.613 -15.046 -6.948 98 HE3 LYS 1 HE2 LYS 1 5.002 -16.688 -6.754 99 HZ1 LYS 1 HZ1 LYS 1 3.363 -14.231 -7.137 100 HZ2 LYS 1 HZ2 LYS 1 2.737 -15.784 -6.869 101 HZ3 LYS 1 HZ3 LYS 1 3.620 -15.464 -8.275 102 H THR 2 H THR 2 3.131 -17.975 0.064 103 HA THR 2 HA THR 2 1.108 -16.578 1.511 104 HB THR 2 HB THR 2 3.428 -17.908 2.844 105 HG1 THR 2 HG1 THR 2 1.163 -19.243 1.723 106 HG21 THR 2 HG21 THR 2 1.742 -16.806 4.231 107 HG22 THR 2 HG22 THR 2 1.700 -18.552 4.461 108 HG23 THR 2 HG23 THR 2 0.476 -17.767 3.465 109 H LEU 3 H LEU 3 1.202 -14.667 2.392 110 HA LEU 3 HA LEU 3 3.377 -12.930 2.095 111 HB2 LEU 3 HB3 LEU 3 0.788 -12.809 3.515 112 HB3 LEU 3 HB2 LEU 3 2.031 -11.703 4.063 113 HG LEU 3 HG LEU 3 0.647 -11.804 1.405 114 HD11 LEU 3 HD11 LEU 3 -0.315 -10.402 3.123 115 HD12 LEU 3 HD12 LEU 3 0.415 -9.393 1.873 116 HD13 LEU 3 HD13 LEU 3 1.250 -9.637 3.407 117 HD21 LEU 3 HD21 LEU 3 3.317 -10.571 2.030 118 HD22 LEU 3 HD22 LEU 3 2.308 -10.066 0.676 119 HD23 LEU 3 HD23 LEU 3 2.926 -11.714 0.744 120 HA PRO 4 HA PRO 4 5.960 -14.098 5.573 121 HB2 PRO 4 HB3 PRO 4 7.159 -11.478 4.876 122 HB3 PRO 4 HB2 PRO 4 7.933 -13.057 5.038 123 HG2 PRO 4 HG3 PRO 4 7.545 -11.929 2.641 124 HG3 PRO 4 HG2 PRO 4 7.419 -13.681 2.877 125 HD2 PRO 4 HD3 PRO 4 5.250 -11.648 2.567 126 HD3 PRO 4 HD2 PRO 4 5.332 -13.318 1.971 127 H ASP 5 H ASP 5 5.679 -13.574 7.650 128 HA ASP 5 HA ASP 5 3.697 -11.859 8.534 129 HB2 ASP 5 HB3 ASP 5 6.081 -12.978 10.009 130 HB3 ASP 5 HB2 ASP 5 4.764 -12.118 10.800 131 H LYS 6 H LYS 6 6.973 -11.134 7.738 132 HA LYS 6 HA LYS 6 7.345 -8.757 9.130 133 HB2 LYS 6 HB3 LYS 6 8.374 -9.729 6.481 134 HB3 LYS 6 HB2 LYS 6 8.835 -8.164 7.132 135 HG2 LYS 6 HG3 LYS 6 9.738 -9.265 9.124 136 HG3 LYS 6 HG2 LYS 6 9.293 -10.830 8.448 137 HD2 LYS 6 HD3 LYS 6 10.788 -10.473 6.570 138 HD3 LYS 6 HD2 LYS 6 11.184 -8.863 7.173 139 HE2 LYS 6 HE3 LYS 6 11.725 -11.443 8.631 140 HE3 LYS 6 HE2 LYS 6 12.916 -10.544 7.696 141 HZ1 LYS 6 HZ1 LYS 6 11.486 -9.525 10.093 142 HZ2 LYS 6 HZ2 LYS 6 12.645 -8.680 9.204 143 HZ3 LYS 6 HZ3 LYS 6 13.087 -10.069 10.061 144 H PHE 7 H PHE 7 5.292 -9.374 6.332 145 HA PHE 7 HA PHE 7 5.009 -6.487 5.928 146 HB2 PHE 7 HB3 PHE 7 3.918 -8.779 4.271 147 HB3 PHE 7 HB2 PHE 7 3.817 -7.071 3.866 148 HD1 PHE 7 HD1 PHE 7 6.560 -6.178 4.511 149 HD2 PHE 7 HD2 PHE 7 5.180 -9.697 2.552 150 HE1 PHE 7 HE1 PHE 7 8.694 -6.344 3.301 151 HE2 PHE 7 HE2 PHE 7 7.313 -9.867 1.347 152 HZ PHE 7 HZ PHE 7 9.072 -8.191 1.721 153 H LEU 8 H LEU 8 3.738 -8.733 7.882 154 HA LEU 8 HA LEU 8 0.947 -7.981 7.447 155 HB2 LEU 8 HB3 LEU 8 2.144 -10.280 8.987 156 HB3 LEU 8 HB2 LEU 8 0.424 -9.964 8.826 157 HG LEU 8 HG LEU 8 2.281 -10.543 6.517 158 HD11 LEU 8 HD11 LEU 8 1.243 -12.706 6.385 159 HD12 LEU 8 HD12 LEU 8 0.226 -12.341 7.783 160 HD13 LEU 8 HD13 LEU 8 1.972 -12.492 7.978 161 HD21 LEU 8 HD21 LEU 8 0.436 -9.165 5.856 162 HD22 LEU 8 HD22 LEU 8 -0.706 -10.225 6.684 163 HD23 LEU 8 HD23 LEU 8 0.172 -10.805 5.268 164 H GLY 9 H GLY 9 -0.338 -7.259 9.098 165 HA2 GLY 9 HA3 GLY 9 -0.452 -6.779 11.567 166 HA3 GLY 9 HA2 GLY 9 1.148 -6.076 11.361 167 H THR 10 H THR 10 -0.283 -4.289 12.400 168 HA THR 10 HA THR 10 -1.457 -2.676 10.245 169 HB THR 10 HB THR 10 -1.845 -2.373 13.230 170 HG1 THR 10 HG1 THR 10 -2.824 -4.231 11.758 171 HG21 THR 10 HG21 THR 10 -3.210 -1.071 10.877 172 HG22 THR 10 HG22 THR 10 -2.128 -0.289 12.022 173 HG23 THR 10 HG23 THR 10 -3.696 -0.887 12.561 174 H PHE 11 H PHE 11 -0.334 -0.956 9.599 175 HA PHE 11 HA PHE 11 1.902 -0.031 11.291 176 HB2 PHE 11 HB3 PHE 11 1.770 -0.021 8.268 177 HB3 PHE 11 HB2 PHE 11 3.161 0.390 9.262 178 HD1 PHE 11 HD1 PHE 11 4.281 -1.417 10.593 179 HD2 PHE 11 HD2 PHE 11 1.328 -2.249 7.643 180 HE1 PHE 11 HE1 PHE 11 5.042 -3.752 10.490 181 HE2 PHE 11 HE2 PHE 11 2.084 -4.587 7.539 182 HZ PHE 11 HZ PHE 11 3.944 -5.341 8.966 183 H LYS 12 H LYS 12 2.037 2.183 11.744 184 HA LYS 12 HA LYS 12 0.122 3.872 10.278 185 HB2 LYS 12 HB3 LYS 12 0.481 5.548 12.026 186 HB3 LYS 12 HB2 LYS 12 -0.064 4.016 12.684 187 HG2 LYS 12 HG3 LYS 12 2.277 3.504 13.302 188 HG3 LYS 12 HG2 LYS 12 2.730 5.118 12.752 189 HD2 LYS 12 HD3 LYS 12 0.751 4.484 14.940 190 HD3 LYS 12 HD2 LYS 12 2.400 5.065 15.175 191 HE2 LYS 12 HE3 LYS 12 1.811 7.122 13.938 192 HE3 LYS 12 HE2 LYS 12 0.155 6.541 13.802 193 HZ1 LYS 12 HZ1 LYS 12 -0.067 6.617 16.178 194 HZ2 LYS 12 HZ2 LYS 12 0.483 8.120 15.635 195 HZ3 LYS 12 HZ3 LYS 12 1.558 7.045 16.368 196 H LEU 13 H LEU 13 0.696 5.341 8.865 197 HA LEU 13 HA LEU 13 3.237 5.614 7.771 198 HB2 LEU 13 HB3 LEU 13 1.106 6.214 6.669 199 HB3 LEU 13 HB2 LEU 13 0.943 7.585 7.742 200 HG LEU 13 HG LEU 13 1.760 7.954 5.313 201 HD11 LEU 13 HD11 LEU 13 3.222 9.173 7.639 202 HD12 LEU 13 HD12 LEU 13 1.681 9.708 6.968 203 HD13 LEU 13 HD13 LEU 13 3.154 9.832 6.005 204 HD21 LEU 13 HD21 LEU 13 4.170 7.858 5.011 205 HD22 LEU 13 HD22 LEU 13 3.510 6.251 5.323 206 HD23 LEU 13 HD23 LEU 13 4.351 7.124 6.604 207 H GLU 14 H GLU 14 5.005 6.743 8.313 208 HA GLU 14 HA GLU 14 4.777 8.599 10.572 209 HB2 GLU 14 HB3 GLU 14 6.225 6.645 10.915 210 HB3 GLU 14 HB2 GLU 14 7.194 7.122 9.527 211 HG2 GLU 14 HG3 GLU 14 8.006 9.041 10.628 212 HG3 GLU 14 HG2 GLU 14 6.817 8.887 11.922 213 H ARG 15 H ARG 15 6.371 8.241 7.400 214 HA ARG 15 HA ARG 15 6.153 11.055 6.903 215 HB2 ARG 15 HB3 ARG 15 8.533 11.530 6.721 216 HB3 ARG 15 HB2 ARG 15 8.148 11.010 8.358 217 HG2 ARG 15 HG3 ARG 15 9.086 8.875 8.005 218 HG3 ARG 15 HG2 ARG 15 9.183 9.136 6.259 219 HD2 ARG 15 HD3 ARG 15 10.706 10.708 8.321 220 HD3 ARG 15 HD2 ARG 15 11.355 9.342 7.422 221 HE ARG 15 HE ARG 15 10.411 11.812 6.113 222 HH11 ARG 15 HH11 ARG 15 12.802 9.279 6.522 223 HH12 ARG 15 HH12 ARG 15 13.775 9.818 5.193 224 HH21 ARG 15 HH21 ARG 15 11.660 12.496 4.353 225 HH22 ARG 15 HH22 ARG 15 13.118 11.645 3.934 226 H ASP 16 H ASP 16 7.827 11.467 4.895 227 HA ASP 16 HA ASP 16 7.699 9.218 3.041 228 HB2 ASP 16 HB3 ASP 16 6.591 10.536 1.317 229 HB3 ASP 16 HB2 ASP 16 5.575 10.444 2.749 230 H GLU 17 H GLU 17 8.899 9.705 1.012 231 HA GLU 17 HA GLU 17 10.823 11.890 1.205 232 HB2 GLU 17 HB3 GLU 17 11.814 9.923 2.363 233 HB3 GLU 17 HB2 GLU 17 11.646 8.998 0.879 234 HG2 GLU 17 HG3 GLU 17 13.907 9.753 1.119 235 HG3 GLU 17 HG2 GLU 17 13.155 10.570 -0.248 236 H ASN 18 H ASN 18 10.795 12.880 -0.705 237 HA ASN 18 HA ASN 18 10.895 13.282 -2.950 238 HB2 ASN 18 HB3 ASN 18 12.365 11.110 -2.869 239 HB3 ASN 18 HB2 ASN 18 10.954 10.346 -3.590 240 HD21 ASN 18 HD21 ASN 18 11.889 9.913 -5.539 241 HD22 ASN 18 HD22 ASN 18 12.357 11.147 -6.662 242 H PHE 19 H PHE 19 8.480 12.672 -1.413 243 HA PHE 19 HA PHE 19 6.737 11.102 -3.065 244 HB2 PHE 19 HB3 PHE 19 6.624 11.275 -0.539 245 HB3 PHE 19 HB2 PHE 19 5.906 12.864 -0.765 246 HD1 PHE 19 HD1 PHE 19 5.380 9.632 -2.537 247 HD2 PHE 19 HD2 PHE 19 3.687 12.734 -0.170 248 HE1 PHE 19 HE1 PHE 19 3.168 8.583 -2.756 249 HE2 PHE 19 HE2 PHE 19 1.472 11.689 -0.383 250 HZ PHE 19 HZ PHE 19 1.209 9.610 -1.684 251 H ASP 20 H ASP 20 7.045 14.576 -2.335 252 HA ASP 20 HA ASP 20 4.880 15.429 -3.880 253 HB2 ASP 20 HB3 ASP 20 5.866 17.629 -3.851 254 HB3 ASP 20 HB2 ASP 20 6.126 16.875 -2.285 255 H GLU 21 H GLU 21 8.266 14.905 -4.782 256 HA GLU 21 HA GLU 21 8.179 15.663 -7.435 257 HB2 GLU 21 HB3 GLU 21 9.688 13.415 -6.124 258 HB3 GLU 21 HB2 GLU 21 9.938 13.895 -7.797 259 HG2 GLU 21 HG3 GLU 21 10.269 15.706 -5.432 260 HG3 GLU 21 HG2 GLU 21 11.577 14.855 -6.237 261 H TYR 22 H TYR 22 7.349 12.496 -6.035 262 HA TYR 22 HA TYR 22 6.574 11.222 -8.402 263 HB2 TYR 22 HB3 TYR 22 6.830 10.041 -6.255 264 HB3 TYR 22 HB2 TYR 22 5.407 10.865 -5.629 265 HD1 TYR 22 HD1 TYR 22 3.154 10.327 -6.584 266 HD2 TYR 22 HD2 TYR 22 6.631 8.119 -7.645 267 HE1 TYR 22 HE1 TYR 22 1.733 8.518 -7.450 268 HE2 TYR 22 HE2 TYR 22 5.218 6.305 -8.513 269 HH TYR 22 HH TYR 22 1.963 6.639 -9.145 270 H LEU 23 H LEU 23 4.804 13.417 -6.287 271 HA LEU 23 HA LEU 23 2.245 12.890 -7.401 272 HB2 LEU 23 HB3 LEU 23 3.246 15.286 -5.858 273 HB3 LEU 23 HB2 LEU 23 1.561 14.963 -6.227 274 HG LEU 23 HG LEU 23 3.355 13.249 -4.508 275 HD11 LEU 23 HD11 LEU 23 0.992 14.965 -3.778 276 HD12 LEU 23 HD12 LEU 23 2.682 15.336 -3.430 277 HD13 LEU 23 HD13 LEU 23 1.911 13.938 -2.681 278 HD21 LEU 23 HD21 LEU 23 1.775 11.885 -5.734 279 HD22 LEU 23 HD22 LEU 23 0.449 12.935 -5.235 280 HD23 LEU 23 HD23 LEU 23 1.314 11.974 -4.034 281 H LYS 24 H LYS 24 4.744 15.288 -8.037 282 HA LYS 24 HA LYS 24 3.343 16.834 -9.938 283 HB2 LYS 24 HB3 LYS 24 6.315 16.288 -9.799 284 HB3 LYS 24 HB2 LYS 24 5.541 17.630 -10.628 285 HG2 LYS 24 HG3 LYS 24 4.852 18.605 -8.567 286 HG3 LYS 24 HG2 LYS 24 5.365 17.180 -7.662 287 HD2 LYS 24 HD3 LYS 24 7.693 17.613 -8.410 288 HD3 LYS 24 HD2 LYS 24 7.132 19.105 -9.167 289 HE2 LYS 24 HE3 LYS 24 6.447 19.984 -7.029 290 HE3 LYS 24 HE2 LYS 24 6.836 18.457 -6.238 291 HZ1 LYS 24 HZ1 LYS 24 8.589 20.033 -5.874 292 HZ2 LYS 24 HZ2 LYS 24 8.764 20.304 -7.531 293 HZ3 LYS 24 HZ3 LYS 24 9.165 18.792 -6.876 294 H ALA 25 H ALA 25 5.637 14.181 -10.310 295 HA ALA 25 HA ALA 25 5.503 13.888 -13.088 296 HB1 ALA 25 HB1 ALA 25 6.378 11.636 -12.744 297 HB2 ALA 25 HB2 ALA 25 5.982 11.738 -11.027 298 HB3 ALA 25 HB3 ALA 25 7.207 12.804 -11.717 299 H ARG 26 H ARG 26 3.453 12.624 -10.552 300 HA ARG 26 HA ARG 26 1.971 10.829 -12.191 301 HB2 ARG 26 HB3 ARG 26 2.153 10.666 -9.710 302 HB3 ARG 26 HB2 ARG 26 1.140 12.096 -9.579 303 HG2 ARG 26 HG3 ARG 26 -0.259 10.237 -9.226 304 HG3 ARG 26 HG2 ARG 26 -0.626 10.834 -10.844 305 HD2 ARG 26 HD3 ARG 26 0.849 9.094 -11.781 306 HD3 ARG 26 HD2 ARG 26 1.126 8.483 -10.149 307 HE ARG 26 HE ARG 26 -1.246 8.140 -11.769 308 HH11 ARG 26 HH11 ARG 26 0.099 8.035 -8.540 309 HH12 ARG 26 HH12 ARG 26 -1.096 6.925 -7.933 310 HH21 ARG 26 HH21 ARG 26 -2.828 6.709 -10.978 311 HH22 ARG 26 HH22 ARG 26 -2.766 6.186 -9.321 312 H GLY 27 H GLY 27 1.906 14.215 -11.806 313 HA2 GLY 27 HA3 GLY 27 0.706 15.638 -13.252 314 HA3 GLY 27 HA2 GLY 27 -0.456 14.348 -13.523 315 H TYR 28 H TYR 28 0.543 15.185 -10.285 316 HA TYR 28 HA TYR 28 -2.152 16.163 -9.746 317 HB2 TYR 28 HB3 TYR 28 0.143 15.349 -7.970 318 HB3 TYR 28 HB2 TYR 28 -1.266 16.192 -7.336 319 HD1 TYR 28 HD1 TYR 28 0.137 13.043 -7.883 320 HD2 TYR 28 HD2 TYR 28 -3.579 15.101 -8.060 321 HE1 TYR 28 HE1 TYR 28 -1.055 10.904 -7.668 322 HE2 TYR 28 HE2 TYR 28 -4.781 12.972 -7.849 323 HH TYR 28 HH TYR 28 -3.230 10.062 -6.988 324 H GLY 29 H GLY 29 -2.631 18.221 -9.517 325 HA2 GLY 29 HA3 GLY 29 -0.653 20.257 -9.863 326 HA3 GLY 29 HA2 GLY 29 -2.364 20.507 -9.549 327 H TRP 30 H TRP 30 -0.981 22.255 -8.318 328 HA TRP 30 HA TRP 30 0.474 21.738 -6.045 329 HB2 TRP 30 HB3 TRP 30 0.284 23.956 -7.039 330 HB3 TRP 30 HB2 TRP 30 -1.413 24.040 -6.585 331 HD1 TRP 30 HD1 TRP 30 2.102 24.231 -5.054 332 HE1 TRP 30 HE1 TRP 30 1.919 25.360 -2.745 333 HE3 TRP 30 HE3 TRP 30 -2.981 24.480 -4.681 334 HZ2 TRP 30 HZ2 TRP 30 -0.122 26.237 -1.001 335 HZ3 TRP 30 HZ3 TRP 30 -3.972 25.479 -2.668 336 HH2 TRP 30 HH2 TRP 30 -2.576 26.334 -0.870 337 H ILE 31 H ILE 31 -3.060 22.378 -6.127 338 HA ILE 31 HA ILE 31 -3.546 22.103 -3.427 339 HB ILE 31 HB ILE 31 -5.205 21.878 -5.857 340 HG12 ILE 31 HG13 ILE 31 -4.829 23.978 -4.587 341 HG13 ILE 31 HG12 ILE 31 -6.532 23.540 -4.692 342 HG21 ILE 31 HG21 ILE 31 -5.935 19.867 -4.675 343 HG22 ILE 31 HG22 ILE 31 -7.190 21.108 -4.658 344 HG23 ILE 31 HG23 ILE 31 -6.211 20.824 -3.218 345 HD11 ILE 31 HD11 ILE 31 -5.982 24.324 -2.475 346 HD12 ILE 31 HD12 ILE 31 -4.716 23.102 -2.341 347 HD13 ILE 31 HD13 ILE 31 -6.406 22.612 -2.432 348 H MET 32 H MET 32 -3.888 19.521 -5.856 349 HA MET 32 HA MET 32 -4.396 17.439 -4.090 350 HB2 MET 32 HB3 MET 32 -3.109 17.509 -6.804 351 HB3 MET 32 HB2 MET 32 -3.268 15.999 -5.918 352 HG2 MET 32 HG3 MET 32 -5.723 17.524 -6.015 353 HG3 MET 32 HG2 MET 32 -5.133 17.086 -7.612 354 HE1 MET 32 HE1 MET 32 -6.065 14.055 -4.263 355 HE2 MET 32 HE2 MET 32 -6.388 15.784 -4.115 356 HE3 MET 32 HE3 MET 32 -4.726 15.201 -4.206 357 H ARG 33 H ARG 33 -1.305 18.705 -5.248 358 HA ARG 33 HA ARG 33 0.297 16.737 -4.013 359 HB2 ARG 33 HB3 ARG 33 1.014 18.200 -5.888 360 HB3 ARG 33 HB2 ARG 33 1.036 19.563 -4.780 361 HG2 ARG 33 HG3 ARG 33 2.797 18.579 -3.509 362 HG3 ARG 33 HG2 ARG 33 2.717 17.091 -4.454 363 HD2 ARG 33 HD3 ARG 33 4.557 18.316 -5.294 364 HD3 ARG 33 HD2 ARG 33 3.259 18.499 -6.473 365 HE ARG 33 HE ARG 33 3.912 20.559 -4.457 366 HH11 ARG 33 HH11 ARG 33 3.016 19.659 -7.729 367 HH12 ARG 33 HH12 ARG 33 3.048 21.290 -8.312 368 HH21 ARG 33 HH21 ARG 33 3.943 22.691 -5.226 369 HH22 ARG 33 HH22 ARG 33 3.563 23.014 -6.889 370 H GLN 34 H GLN 34 -1.318 19.508 -2.830 371 HA GLN 34 HA GLN 34 0.274 19.723 -0.422 372 HB2 GLN 34 HB3 GLN 34 -2.288 21.057 -1.300 373 HB3 GLN 34 HB2 GLN 34 -1.522 21.363 0.255 374 HG2 GLN 34 HG3 GLN 34 -0.300 21.863 -2.448 375 HG3 GLN 34 HG2 GLN 34 -0.986 23.085 -1.382 376 HE21 GLN 34 HE21 GLN 34 0.080 21.887 1.034 377 HE22 GLN 34 HE22 GLN 34 1.777 22.215 1.030 378 H VAL 35 H VAL 35 -2.821 18.369 -1.430 379 HA VAL 35 HA VAL 35 -3.746 17.784 1.210 380 HB VAL 35 HB VAL 35 -4.638 16.892 -1.536 381 HG11 VAL 35 HG11 VAL 35 -5.971 16.318 1.107 382 HG12 VAL 35 HG12 VAL 35 -5.208 15.136 0.044 383 HG13 VAL 35 HG13 VAL 35 -6.655 15.993 -0.487 384 HG21 VAL 35 HG21 VAL 35 -5.024 19.236 -1.052 385 HG22 VAL 35 HG22 VAL 35 -5.829 18.814 0.458 386 HG23 VAL 35 HG23 VAL 35 -6.556 18.360 -1.084 387 H ILE 36 H ILE 36 -2.767 15.710 -1.491 388 HA ILE 36 HA ILE 36 -2.686 13.246 -0.385 389 HB ILE 36 HB ILE 36 -0.722 14.388 -2.351 390 HG12 ILE 36 HG13 ILE 36 -3.350 12.962 -2.808 391 HG13 ILE 36 HG12 ILE 36 -3.204 14.711 -2.780 392 HG21 ILE 36 HG21 ILE 36 -1.636 11.564 -1.838 393 HG22 ILE 36 HG22 ILE 36 -0.043 12.220 -1.455 394 HG23 ILE 36 HG23 ILE 36 -0.561 12.084 -3.135 395 HD11 ILE 36 HD11 ILE 36 -3.246 14.051 -5.028 396 HD12 ILE 36 HD12 ILE 36 -2.038 12.788 -4.755 397 HD13 ILE 36 HD13 ILE 36 -1.571 14.489 -4.668 398 H LYS 37 H LYS 37 -0.162 15.723 0.080 399 HA LYS 37 HA LYS 37 1.611 13.863 1.370 400 HB2 LYS 37 HB3 LYS 37 1.657 16.879 1.308 401 HB3 LYS 37 HB2 LYS 37 2.925 15.873 1.997 402 HG2 LYS 37 HG3 LYS 37 3.070 14.802 -0.324 403 HG3 LYS 37 HG2 LYS 37 2.131 16.192 -0.875 404 HD2 LYS 37 HD3 LYS 37 4.829 16.227 0.474 405 HD3 LYS 37 HD2 LYS 37 4.463 16.668 -1.194 406 HE2 LYS 37 HE3 LYS 37 3.230 18.591 -0.485 407 HE3 LYS 37 HE2 LYS 37 3.337 18.098 1.204 408 HZ1 LYS 37 HZ1 LYS 37 5.734 18.409 1.100 409 HZ2 LYS 37 HZ2 LYS 37 4.922 19.838 0.706 410 HZ3 LYS 37 HZ3 LYS 37 5.619 18.899 -0.514 411 H LEU 38 H LEU 38 -1.061 15.762 2.399 412 HA LEU 38 HA LEU 38 -0.249 15.721 5.204 413 HB2 LEU 38 HB3 LEU 38 -2.733 16.780 3.857 414 HB3 LEU 38 HB2 LEU 38 -2.385 16.925 5.568 415 HG LEU 38 HG LEU 38 -0.593 18.081 3.446 416 HD11 LEU 38 HD11 LEU 38 -2.864 19.393 4.922 417 HD12 LEU 38 HD12 LEU 38 -2.791 19.047 3.193 418 HD13 LEU 38 HD13 LEU 38 -1.685 20.222 3.905 419 HD21 LEU 38 HD21 LEU 38 0.416 17.749 5.649 420 HD22 LEU 38 HD22 LEU 38 -0.902 18.657 6.391 421 HD23 LEU 38 HD23 LEU 38 0.213 19.463 5.290 422 H ALA 39 H ALA 39 -1.873 13.802 2.992 423 HA ALA 39 HA ALA 39 -3.826 12.658 4.735 424 HB1 ALA 39 HB1 ALA 39 -4.141 12.728 2.302 425 HB2 ALA 39 HB2 ALA 39 -4.225 11.081 2.930 426 HB3 ALA 39 HB3 ALA 39 -2.768 11.637 2.101 427 H GLY 40 H GLY 40 -3.171 11.559 6.451 428 HA2 GLY 40 HA3 GLY 40 -0.820 9.889 6.438 429 HA3 GLY 40 HA2 GLY 40 -2.000 10.026 7.737 430 H VAL 41 H VAL 41 -0.897 7.567 6.783 431 HA VAL 41 HA VAL 41 -3.329 6.330 5.718 432 HB VAL 41 HB VAL 41 -0.552 5.659 4.726 433 HG11 VAL 41 HG11 VAL 41 -1.754 4.289 3.066 434 HG12 VAL 41 HG12 VAL 41 -3.268 4.652 3.896 435 HG13 VAL 41 HG13 VAL 41 -2.007 3.735 4.721 436 HG21 VAL 41 HG21 VAL 41 -1.253 7.830 3.871 437 HG22 VAL 41 HG22 VAL 41 -2.773 7.133 3.313 438 HG23 VAL 41 HG23 VAL 41 -1.251 6.620 2.587 439 H THR 42 H THR 42 -3.924 4.575 6.779 440 HA THR 42 HA THR 42 -2.012 3.305 8.616 441 HB THR 42 HB THR 42 -5.027 3.059 8.612 442 HG1 THR 42 HG1 THR 42 -4.911 5.042 9.364 443 HG21 THR 42 HG21 THR 42 -4.705 2.222 10.895 444 HG22 THR 42 HG22 THR 42 -2.959 2.382 10.709 445 HG23 THR 42 HG23 THR 42 -3.848 1.220 9.723 446 H LYS 43 H LYS 43 -1.056 1.644 7.606 447 HA LYS 43 HA LYS 43 -2.447 0.061 5.621 448 HB2 LYS 43 HB3 LYS 43 0.320 -0.229 6.812 449 HB3 LYS 43 HB2 LYS 43 -0.303 -1.163 5.463 450 HG2 LYS 43 HG3 LYS 43 -0.025 1.830 5.424 451 HG3 LYS 43 HG2 LYS 43 1.218 0.718 4.848 452 HD2 LYS 43 HD3 LYS 43 -0.339 -0.189 3.207 453 HD3 LYS 43 HD2 LYS 43 -1.609 0.882 3.803 454 HE2 LYS 43 HE3 LYS 43 -0.282 2.824 3.152 455 HE3 LYS 43 HE2 LYS 43 1.005 1.763 2.592 456 HZ1 LYS 43 HZ1 LYS 43 -1.734 1.685 1.476 457 HZ2 LYS 43 HZ2 LYS 43 -0.336 0.976 0.837 458 HZ3 LYS 43 HZ3 LYS 43 -0.510 2.670 0.831 459 H LYS 44 H LYS 44 -3.468 -1.820 6.009 460 HA LYS 44 HA LYS 44 -2.841 -3.225 8.514 461 HB2 LYS 44 HB3 LYS 44 -5.567 -2.685 7.343 462 HB3 LYS 44 HB2 LYS 44 -5.274 -3.889 8.585 463 HG2 LYS 44 HG3 LYS 44 -4.519 -2.189 10.114 464 HG3 LYS 44 HG2 LYS 44 -4.678 -0.954 8.866 465 HD2 LYS 44 HD3 LYS 44 -6.589 -0.754 10.246 466 HD3 LYS 44 HD2 LYS 44 -7.135 -1.545 8.771 467 HE2 LYS 44 HE3 LYS 44 -6.347 -3.116 11.208 468 HE3 LYS 44 HE2 LYS 44 -7.969 -2.458 11.022 469 HZ1 LYS 44 HZ1 LYS 44 -6.640 -4.407 9.218 470 HZ2 LYS 44 HZ2 LYS 44 -8.149 -3.706 8.920 471 HZ3 LYS 44 HZ3 LYS 44 -7.929 -4.711 10.264 472 H PHE 45 H PHE 45 -1.783 -4.949 7.840 473 HA PHE 45 HA PHE 45 -2.911 -6.532 5.620 474 HB2 PHE 45 HB3 PHE 45 -0.120 -6.536 6.786 475 HB3 PHE 45 HB2 PHE 45 -0.679 -7.620 5.522 476 HD1 PHE 45 HD1 PHE 45 0.147 -4.129 6.335 477 HD2 PHE 45 HD2 PHE 45 -0.795 -6.920 3.265 478 HE1 PHE 45 HE1 PHE 45 0.874 -2.504 4.640 479 HE2 PHE 45 HE2 PHE 45 -0.073 -5.296 1.565 480 HZ PHE 45 HZ PHE 45 0.762 -3.086 2.252 481 H ARG 46 H ARG 46 -3.976 -8.333 6.246 482 HA ARG 46 HA ARG 46 -2.993 -9.818 8.549 483 HB2 ARG 46 HB3 ARG 46 -5.166 -9.860 9.664 484 HB3 ARG 46 HB2 ARG 46 -4.571 -8.212 9.527 485 HG2 ARG 46 HG3 ARG 46 -6.048 -7.846 7.606 486 HG3 ARG 46 HG2 ARG 46 -6.648 -9.496 7.763 487 HD2 ARG 46 HD3 ARG 46 -6.890 -7.320 9.836 488 HD3 ARG 46 HD2 ARG 46 -8.182 -7.890 8.780 489 HE ARG 46 HE ARG 46 -7.078 -10.041 10.252 490 HH11 ARG 46 HH11 ARG 46 -9.195 -7.269 10.607 491 HH12 ARG 46 HH12 ARG 46 -10.085 -7.967 11.923 492 HH21 ARG 46 HH21 ARG 46 -8.245 -10.954 11.969 493 HH22 ARG 46 HH22 ARG 46 -9.558 -10.072 12.684 494 H ASN 47 H ASN 47 -4.003 -11.889 8.774 495 HA ASN 47 HA ASN 47 -4.614 -13.259 6.350 496 HB2 ASN 47 HB3 ASN 47 -3.871 -14.091 8.815 497 HB3 ASN 47 HB2 ASN 47 -5.605 -14.378 8.927 498 HD21 ASN 47 HD21 ASN 47 -2.630 -15.338 7.492 499 HD22 ASN 47 HD22 ASN 47 -3.220 -16.754 6.695 500 H ALA 48 H ALA 48 -6.728 -13.982 5.581 501 HA ALA 48 HA ALA 48 -8.584 -11.967 5.499 502 HB1 ALA 48 HB1 ALA 48 -8.456 -13.874 3.924 503 HB2 ALA 48 HB2 ALA 48 -10.101 -13.524 4.468 504 HB3 ALA 48 HB3 ALA 48 -9.214 -14.893 5.148 505 H ALA 49 H ALA 49 -10.287 -11.329 6.555 506 HA ALA 49 HA ALA 49 -10.235 -11.808 9.341 507 HB1 ALA 49 HB1 ALA 49 -12.239 -10.241 7.739 508 HB2 ALA 49 HB2 ALA 49 -10.681 -9.627 8.289 509 HB3 ALA 49 HB3 ALA 49 -11.913 -10.090 9.466 510 H SER 50 H SER 50 -12.425 -12.776 6.742 511 HA SER 50 HA SER 50 -14.430 -13.841 8.413 512 HB2 SER 50 HB3 SER 50 -13.757 -14.499 5.540 513 HB3 SER 50 HB2 SER 50 -15.300 -14.783 6.340 514 HG SER 50 HG SER 50 -14.220 -12.443 5.329 515 H GLY 51 H GLY 51 -11.430 -14.831 8.527 516 HA2 GLY 51 HA3 GLY 51 -10.544 -16.753 9.440 517 HA3 GLY 51 HA2 GLY 51 -12.154 -17.451 9.429 518 H LYS 52 H LYS 52 -10.713 -16.191 6.518 519 HA LYS 52 HA LYS 52 -10.658 -18.884 5.405 520 HB2 LYS 52 HB3 LYS 52 -10.191 -16.215 4.062 521 HB3 LYS 52 HB2 LYS 52 -10.323 -17.765 3.247 522 HG2 LYS 52 HG3 LYS 52 -12.632 -17.969 3.966 523 HG3 LYS 52 HG2 LYS 52 -12.506 -16.442 4.841 524 HD2 LYS 52 HD3 LYS 52 -12.042 -15.281 2.733 525 HD3 LYS 52 HD2 LYS 52 -12.184 -16.808 1.864 526 HE2 LYS 52 HE3 LYS 52 -14.368 -15.482 3.465 527 HE3 LYS 52 HE2 LYS 52 -14.236 -15.473 1.707 528 HZ1 LYS 52 HZ1 LYS 52 -15.780 -17.153 2.405 529 HZ2 LYS 52 HZ2 LYS 52 -14.637 -17.861 3.427 530 HZ3 LYS 52 HZ3 LYS 52 -14.413 -17.903 1.752 531 HA PRO 53 HA PRO 53 -6.229 -18.960 6.059 532 HB2 PRO 53 HB3 PRO 53 -5.798 -21.445 5.129 533 HB3 PRO 53 HB2 PRO 53 -6.574 -21.159 6.693 534 HG2 PRO 53 HG3 PRO 53 -7.819 -21.817 4.055 535 HG3 PRO 53 HG2 PRO 53 -8.190 -22.476 5.658 536 HD2 PRO 53 HD3 PRO 53 -9.665 -20.516 4.472 537 HD3 PRO 53 HD2 PRO 53 -9.499 -20.675 6.231 538 H ASP 54 H ASP 54 -4.482 -18.589 4.793 539 HA ASP 54 HA ASP 54 -3.120 -18.339 2.989 540 HB2 ASP 54 HB3 ASP 54 -3.894 -20.414 1.986 541 HB3 ASP 54 HB2 ASP 54 -5.370 -19.634 1.428 542 H ARG 55 H ARG 55 -6.469 -17.759 2.078 543 HA ARG 55 HA ARG 55 -6.243 -15.369 0.749 544 HB2 ARG 55 HB3 ARG 55 -8.283 -16.825 1.091 545 HB3 ARG 55 HB2 ARG 55 -8.446 -16.106 2.685 546 HG2 ARG 55 HG3 ARG 55 -9.952 -15.029 1.179 547 HG3 ARG 55 HG2 ARG 55 -8.674 -13.894 1.618 548 HD2 ARG 55 HD3 ARG 55 -9.195 -13.798 -0.768 549 HD3 ARG 55 HD2 ARG 55 -7.538 -14.320 -0.478 550 HE ARG 55 HE ARG 55 -8.533 -16.662 -0.813 551 HH11 ARG 55 HH11 ARG 55 -9.691 -13.778 -2.419 552 HH12 ARG 55 HH12 ARG 55 -10.191 -14.619 -3.847 553 HH21 ARG 55 HH21 ARG 55 -9.198 -17.779 -2.695 554 HH22 ARG 55 HH22 ARG 55 -9.913 -16.898 -4.009 555 H TYR 56 H TYR 56 -5.785 -13.291 1.331 556 HA TYR 56 HA TYR 56 -5.583 -12.730 4.211 557 HB2 TYR 56 HB3 TYR 56 -3.982 -11.751 1.864 558 HB3 TYR 56 HB2 TYR 56 -4.028 -10.844 3.370 559 HD1 TYR 56 HD1 TYR 56 -2.524 -13.596 1.619 560 HD2 TYR 56 HD2 TYR 56 -3.283 -12.008 5.488 561 HE1 TYR 56 HE1 TYR 56 -0.739 -15.011 2.549 562 HE2 TYR 56 HE2 TYR 56 -1.508 -13.417 6.428 563 HH TYR 56 HH TYR 56 0.806 -14.928 4.611 564 H ASP 57 H ASP 57 -5.749 -10.361 4.714 565 HA ASP 57 HA ASP 57 -7.732 -8.955 3.058 566 HB2 ASP 57 HB3 ASP 57 -8.938 -9.962 4.947 567 HB3 ASP 57 HB2 ASP 57 -7.790 -9.258 6.077 568 H MET 58 H MET 58 -7.319 -6.766 2.853 569 HA MET 58 HA MET 58 -5.229 -5.581 4.513 570 HB2 MET 58 HB3 MET 58 -4.076 -6.675 2.567 571 HB3 MET 58 HB2 MET 58 -4.989 -5.630 1.493 572 HG2 MET 58 HG3 MET 58 -3.221 -4.510 3.636 573 HG3 MET 58 HG2 MET 58 -2.578 -4.990 2.069 574 HE1 MET 58 HE1 MET 58 -2.366 -2.071 3.405 575 HE2 MET 58 HE2 MET 58 -2.663 -1.041 2.005 576 HE3 MET 58 HE3 MET 58 -1.624 -2.464 1.854 577 H GLU 59 H GLU 59 -5.377 -3.337 4.621 578 HA GLU 59 HA GLU 59 -7.249 -2.005 2.880 579 HB2 GLU 59 HB3 GLU 59 -8.688 -1.144 4.665 580 HB3 GLU 59 HB2 GLU 59 -8.759 -2.897 4.572 581 HG2 GLU 59 HG3 GLU 59 -7.219 -3.039 6.472 582 HG3 GLU 59 HG2 GLU 59 -7.215 -1.280 6.582 583 H ASN 60 H ASN 60 -7.332 0.295 3.158 584 HA ASN 60 HA ASN 60 -4.941 1.408 4.466 585 HB2 ASN 60 HB3 ASN 60 -5.939 2.186 1.712 586 HB3 ASN 60 HB2 ASN 60 -4.563 2.883 2.552 587 HD21 ASN 60 HD21 ASN 60 -5.750 0.186 0.744 588 HD22 ASN 60 HD22 ASN 60 -4.218 -0.591 0.524 589 H LEU 61 H LEU 61 -6.026 2.394 6.103 590 HA LEU 61 HA LEU 61 -8.276 4.137 5.447 591 HB2 LEU 61 HB3 LEU 61 -7.005 3.409 8.085 592 HB3 LEU 61 HB2 LEU 61 -8.350 4.520 7.917 593 HG LEU 61 HG LEU 61 -8.399 1.606 7.135 594 HD11 LEU 61 HD11 LEU 61 -8.287 1.901 9.545 595 HD12 LEU 61 HD12 LEU 61 -9.890 1.355 9.057 596 HD13 LEU 61 HD13 LEU 61 -9.627 3.046 9.480 597 HD21 LEU 61 HD21 LEU 61 -9.864 2.983 5.750 598 HD22 LEU 61 HD22 LEU 61 -10.587 3.682 7.198 599 HD23 LEU 61 HD23 LEU 61 -10.800 1.967 6.846 600 H THR 62 H THR 62 -8.064 6.273 5.149 601 HA THR 62 HA THR 62 -5.517 7.491 5.933 602 HB THR 62 HB THR 62 -5.351 8.690 3.858 603 HG1 THR 62 HG1 THR 62 -7.052 7.916 2.195 604 HG21 THR 62 HG21 THR 62 -4.489 6.384 3.846 605 HG22 THR 62 HG22 THR 62 -5.051 6.886 2.252 606 HG23 THR 62 HG23 THR 62 -6.044 5.818 3.240 607 H THR 63 H THR 63 -6.251 10.048 4.818 608 HA THR 63 HA THR 63 -8.134 10.827 6.906 609 HB THR 63 HB THR 63 -7.243 13.091 6.585 610 HG1 THR 63 HG1 THR 63 -5.899 13.561 4.956 611 HG21 THR 63 HG21 THR 63 -4.856 12.581 7.223 612 HG22 THR 63 HG22 THR 63 -5.212 10.882 6.889 613 HG23 THR 63 HG23 THR 63 -6.079 11.729 8.168 614 H LYS 64 H LYS 64 -7.612 10.923 3.445 615 HA LYS 64 HA LYS 64 -10.073 12.465 3.058 616 HB2 LYS 64 HB3 LYS 64 -7.766 11.847 1.214 617 HB3 LYS 64 HB2 LYS 64 -9.228 12.671 0.694 618 HG2 LYS 64 HG3 LYS 64 -7.394 13.663 2.864 619 HG3 LYS 64 HG2 LYS 64 -7.342 14.194 1.182 620 HD2 LYS 64 HD3 LYS 64 -9.692 14.939 1.388 621 HD3 LYS 64 HD2 LYS 64 -9.659 14.490 3.093 622 HE2 LYS 64 HE3 LYS 64 -7.912 16.111 3.517 623 HE3 LYS 64 HE2 LYS 64 -7.832 16.510 1.803 624 HZ1 LYS 64 HZ1 LYS 64 -10.210 16.917 3.529 625 HZ2 LYS 64 HZ2 LYS 64 -10.065 17.365 1.904 626 HZ3 LYS 64 HZ3 LYS 64 -9.116 18.128 3.079 627 H LYS 65 H LYS 65 -8.737 9.313 2.682 628 HA LYS 65 HA LYS 65 -11.155 8.429 1.318 629 HB2 LYS 65 HB3 LYS 65 -9.252 8.907 -0.332 630 HB3 LYS 65 HB2 LYS 65 -8.455 7.511 0.373 631 HG2 LYS 65 HG3 LYS 65 -9.649 6.991 -1.721 632 HG3 LYS 65 HG2 LYS 65 -10.245 6.057 -0.356 633 HD2 LYS 65 HD3 LYS 65 -12.067 7.812 -0.140 634 HD3 LYS 65 HD2 LYS 65 -11.537 8.407 -1.712 635 HE2 LYS 65 HE3 LYS 65 -13.407 6.884 -1.974 636 HE3 LYS 65 HE2 LYS 65 -11.949 6.186 -2.675 637 HZ1 LYS 65 HZ1 LYS 65 -12.793 5.542 0.093 638 HZ2 LYS 65 HZ2 LYS 65 -11.743 4.676 -0.920 639 HZ3 LYS 65 HZ3 LYS 65 -13.409 4.693 -1.239 640 H ASP 66 H ASP 66 -9.500 5.904 0.969 641 HA ASP 66 HA ASP 66 -9.211 4.404 3.149 642 HB2 ASP 66 HB3 ASP 66 -11.353 3.693 3.968 643 HB3 ASP 66 HB2 ASP 66 -11.362 5.449 4.000 644 H THR 67 H THR 67 -9.243 2.213 2.644 645 HA THR 67 HA THR 67 -10.760 1.255 0.364 646 HB THR 67 HB THR 67 -8.734 0.006 -0.509 647 HG1 THR 67 HG1 THR 67 -7.475 1.819 1.262 648 HG21 THR 67 HG21 THR 67 -9.646 1.952 -1.703 649 HG22 THR 67 HG22 THR 67 -7.896 1.834 -1.873 650 HG23 THR 67 HG23 THR 67 -8.596 3.010 -0.765 651 H HIS 68 H HIS 68 -11.095 -1.039 0.517 652 HA HIS 68 HA HIS 68 -9.677 -2.399 2.659 653 HB2 HIS 68 HB3 HIS 68 -11.881 -1.459 3.572 654 HB3 HIS 68 HB2 HIS 68 -12.678 -2.643 2.539 655 HD1 HIS 68 HD1 HIS 68 -12.523 -2.544 5.793 656 HD2 HIS 68 HD2 HIS 68 -10.501 -5.111 3.227 657 HE1 HIS 68 HE1 HIS 68 -11.969 -4.578 7.164 658 HE2 HIS 68 HE2 HIS 68 -10.597 -6.042 5.630 659 H HIS 69 H HIS 69 -8.680 -3.755 1.372 660 HA HIS 69 HA HIS 69 -9.975 -5.089 -0.834 661 HB2 HIS 69 HB3 HIS 69 -7.288 -5.758 0.381 662 HB3 HIS 69 HB2 HIS 69 -7.839 -6.081 -1.257 663 HD1 HIS 69 HD1 HIS 69 -8.880 -3.112 -1.809 664 HD2 HIS 69 HD2 HIS 69 -5.146 -4.184 -0.304 665 HE1 HIS 69 HE1 HIS 69 -7.335 -1.203 -2.374 666 HE2 HIS 69 HE2 HIS 69 -5.040 -2.001 -1.690 667 H LYS 70 H LYS 70 -11.689 -6.111 0.420 668 HA LYS 70 HA LYS 70 -11.107 -7.983 2.468 669 HB2 LYS 70 HB3 LYS 70 -13.556 -7.515 0.796 670 HB3 LYS 70 HB2 LYS 70 -13.480 -8.731 2.065 671 HG2 LYS 70 HG3 LYS 70 -13.037 -7.056 3.699 672 HG3 LYS 70 HG2 LYS 70 -12.919 -5.817 2.455 673 HD2 LYS 70 HD3 LYS 70 -15.272 -6.180 1.887 674 HD3 LYS 70 HD2 LYS 70 -15.382 -7.396 3.172 675 HE2 LYS 70 HE3 LYS 70 -14.371 -4.650 3.672 676 HE3 LYS 70 HE2 LYS 70 -16.109 -4.990 3.713 677 HZ1 LYS 70 HZ1 LYS 70 -14.042 -6.333 5.385 678 HZ2 LYS 70 HZ2 LYS 70 -15.705 -6.620 5.453 679 HZ3 LYS 70 HZ3 LYS 70 -15.088 -5.117 5.922 680 H ASP 71 H ASP 71 -10.204 -9.867 2.261 681 HA ASP 71 HA ASP 71 -9.787 -12.001 1.638 682 HB2 ASP 71 HB3 ASP 71 -12.344 -11.752 0.046 683 HB3 ASP 71 HB2 ASP 71 -11.530 -13.254 0.451 684 H TRP 72 H TRP 72 -8.021 -10.801 0.459 685 HA TRP 72 HA TRP 72 -8.242 -11.310 -2.429 686 HB2 TRP 72 HB3 TRP 72 -6.341 -9.790 -2.707 687 HB3 TRP 72 HB2 TRP 72 -7.672 -8.990 -1.883 688 HD1 TRP 72 HD1 TRP 72 -7.294 -8.273 0.653 689 HE1 TRP 72 HE1 TRP 72 -5.164 -8.001 2.069 690 HE3 TRP 72 HE3 TRP 72 -3.979 -10.782 -2.328 691 HZ2 TRP 72 HZ2 TRP 72 -2.443 -8.748 1.917 692 HZ3 TRP 72 HZ3 TRP 72 -1.640 -10.923 -1.575 693 HH2 TRP 72 HH2 TRP 72 -0.899 -9.938 0.485 694 H ALA 73 H ALA 73 -6.730 -12.627 -3.442 695 HA ALA 73 HA ALA 73 -4.925 -14.057 -1.609 696 HB1 ALA 73 HB1 ALA 73 -6.626 -15.479 -2.634 697 HB2 ALA 73 HB2 ALA 73 -5.019 -15.897 -3.227 698 HB3 ALA 73 HB3 ALA 73 -6.111 -14.951 -4.237 699 H LEU 74 H LEU 74 -2.762 -13.988 -2.034 700 HA LEU 74 HA LEU 74 -1.735 -12.115 -3.818 701 HB2 LEU 74 HB3 LEU 74 -0.665 -13.163 -1.746 702 HB3 LEU 74 HB2 LEU 74 -0.214 -14.496 -2.789 703 HG LEU 74 HG LEU 74 0.568 -11.713 -3.555 704 HD11 LEU 74 HD11 LEU 74 1.221 -11.994 -1.193 705 HD12 LEU 74 HD12 LEU 74 2.605 -11.896 -2.277 706 HD13 LEU 74 HD13 LEU 74 2.101 -13.458 -1.633 707 HD21 LEU 74 HD21 LEU 74 1.745 -14.455 -3.956 708 HD22 LEU 74 HD22 LEU 74 2.502 -12.954 -4.489 709 HD23 LEU 74 HD23 LEU 74 0.950 -13.451 -5.167 710 H GLY 75 H GLY 75 -1.087 -12.197 -5.877 711 HA2 GLY 75 HA3 GLY 75 -0.733 -13.131 -8.000 712 HA3 GLY 75 HA2 GLY 75 -1.190 -14.704 -7.363 713 H GLU 76 H GLU 76 -3.361 -12.319 -6.434 714 HA GLU 76 HA GLU 76 -5.163 -12.961 -8.667 715 HB2 GLU 76 HB3 GLU 76 -5.707 -14.207 -6.565 716 HB3 GLU 76 HB2 GLU 76 -5.972 -12.664 -5.772 717 HG2 GLU 76 HG3 GLU 76 -8.047 -13.793 -6.490 718 HG3 GLU 76 HG2 GLU 76 -7.842 -12.185 -7.184 719 H GLU 77 H GLU 77 -7.032 -11.389 -8.761 720 HA GLU 77 HA GLU 77 -6.216 -8.668 -7.990 721 HB2 GLU 77 HB3 GLU 77 -6.758 -7.781 -10.156 722 HB3 GLU 77 HB2 GLU 77 -5.608 -9.090 -10.394 723 HG2 GLU 77 HG3 GLU 77 -7.619 -10.560 -10.812 724 HG3 GLU 77 HG2 GLU 77 -8.553 -9.081 -10.918 725 H PHE 78 H PHE 78 -7.974 -7.318 -7.586 726 HA PHE 78 HA PHE 78 -10.658 -8.482 -7.782 727 HB2 PHE 78 HB3 PHE 78 -10.991 -7.647 -5.376 728 HB3 PHE 78 HB2 PHE 78 -10.038 -9.114 -5.591 729 HD1 PHE 78 HD1 PHE 78 -7.686 -9.143 -5.143 730 HD2 PHE 78 HD2 PHE 78 -9.933 -5.555 -4.738 731 HE1 PHE 78 HE1 PHE 78 -5.807 -8.109 -3.945 732 HE2 PHE 78 HE2 PHE 78 -8.060 -4.515 -3.538 733 HZ PHE 78 HZ PHE 78 -5.992 -5.790 -3.144 734 H GLN 79 H GLN 79 -12.375 -6.953 -7.591 735 HA GLN 79 HA GLN 79 -11.739 -4.284 -8.472 736 HB2 GLN 79 HB3 GLN 79 -13.767 -5.537 -9.233 737 HB3 GLN 79 HB2 GLN 79 -14.404 -5.424 -7.599 738 HG2 GLN 79 HG3 GLN 79 -14.322 -2.950 -7.806 739 HG3 GLN 79 HG2 GLN 79 -13.862 -3.155 -9.495 740 HE21 GLN 79 HE21 GLN 79 -15.368 -3.955 -10.958 741 HE22 GLN 79 HE22 GLN 79 -17.057 -4.003 -10.605 742 H ASP 80 H ASP 80 -11.991 -2.374 -7.277 743 HA ASP 80 HA ASP 80 -12.639 -2.526 -4.458 744 HB2 ASP 80 HB3 ASP 80 -10.193 -3.301 -4.827 745 HB3 ASP 80 HB2 ASP 80 -9.865 -1.609 -5.181 746 H GLU 81 H GLU 81 -12.635 -0.418 -3.430 747 HA GLU 81 HA GLU 81 -12.953 1.795 -5.334 748 HB2 GLU 81 HB3 GLU 81 -14.850 1.326 -3.771 749 HB3 GLU 81 HB2 GLU 81 -13.773 1.629 -2.418 750 HG2 GLU 81 HG3 GLU 81 -13.427 3.935 -3.317 751 HG3 GLU 81 HG2 GLU 81 -14.698 3.598 -4.491 752 H ALA 82 H ALA 82 -10.839 2.232 -5.657 753 HA ALA 82 HA ALA 82 -8.869 1.933 -3.667 754 HB1 ALA 82 HB1 ALA 82 -8.503 1.516 -6.025 755 HB2 ALA 82 HB2 ALA 82 -7.326 2.660 -5.371 756 HB3 ALA 82 HB3 ALA 82 -8.674 3.238 -6.358 757 H LEU 83 H LEU 83 -7.144 3.627 -3.299 758 HA LEU 83 HA LEU 83 -8.126 5.728 -1.786 759 HB2 LEU 83 HB3 LEU 83 -5.431 5.392 -3.102 760 HB3 LEU 83 HB2 LEU 83 -5.800 6.729 -2.035 761 HG LEU 83 HG LEU 83 -4.632 5.209 -0.704 762 HD11 LEU 83 HD11 LEU 83 -6.228 4.410 0.949 763 HD12 LEU 83 HD12 LEU 83 -7.546 4.655 -0.195 764 HD13 LEU 83 HD13 LEU 83 -6.629 6.038 0.399 765 HD21 LEU 83 HD21 LEU 83 -4.652 3.303 -2.189 766 HD22 LEU 83 HD22 LEU 83 -6.352 3.010 -1.828 767 HD23 LEU 83 HD23 LEU 83 -5.138 2.813 -0.566 768 H ASP 84 H ASP 84 -7.269 5.587 -5.160 769 HA ASP 84 HA ASP 84 -7.386 8.432 -5.496 770 HB2 ASP 84 HB3 ASP 84 -6.895 8.058 -7.815 771 HB3 ASP 84 HB2 ASP 84 -5.855 7.043 -6.832 772 H SER 85 H SER 85 -9.782 6.655 -4.720 773 HA SER 85 HA SER 85 -12.008 7.034 -4.705 774 HB2 SER 85 HB3 SER 85 -11.338 9.543 -6.256 775 HB3 SER 85 HB2 SER 85 -12.814 9.238 -5.336 776 HG SER 85 HG SER 85 -10.229 9.183 -4.170 777 H THR 86 H THR 86 -10.890 5.458 -6.830 778 HA THR 86 HA THR 86 -13.091 5.749 -8.756 779 HB THR 86 HB THR 86 -11.548 4.717 -10.460 780 HG1 THR 86 HG1 THR 86 -9.267 5.631 -9.260 781 HG21 THR 86 HG21 THR 86 -10.379 6.821 -10.982 782 HG22 THR 86 HG22 THR 86 -10.794 7.432 -9.380 783 HG23 THR 86 HG23 THR 86 -12.067 7.081 -10.550 784 H GLN 87 H GLN 87 -13.426 3.622 -9.959 785 HA GLN 87 HA GLN 87 -13.146 1.384 -8.061 786 HB2 GLN 87 HB3 GLN 87 -15.021 1.430 -10.419 787 HB3 GLN 87 HB2 GLN 87 -15.118 0.450 -8.964 788 HG2 GLN 87 HG3 GLN 87 -15.541 3.418 -9.061 789 HG3 GLN 87 HG2 GLN 87 -16.827 2.217 -9.111 790 HE21 GLN 87 HE21 GLN 87 -15.503 0.440 -7.218 791 HE22 GLN 87 HE22 GLN 87 -15.670 1.182 -5.668 792 H HIS 88 H HIS 88 -11.582 -0.017 -8.656 793 HA HIS 88 HA HIS 88 -11.477 -0.915 -11.374 794 HB2 HIS 88 HB3 HIS 88 -9.062 -0.348 -11.704 795 HB3 HIS 88 HB2 HIS 88 -10.166 1.016 -11.761 796 HD1 HIS 88 HD1 HIS 88 -7.737 -0.613 -9.321 797 HD2 HIS 88 HD2 HIS 88 -9.463 3.071 -10.179 798 HE1 HIS 88 HE1 HIS 88 -6.616 1.044 -7.787 799 HE2 HIS 88 HE2 HIS 88 -7.697 3.271 -8.298 800 H LYS 89 H LYS 89 -9.396 -2.328 -11.673 801 HA LYS 89 HA LYS 89 -9.656 -4.330 -9.620 802 HB2 LYS 89 HB3 LYS 89 -8.260 -5.703 -11.170 803 HB3 LYS 89 HB2 LYS 89 -9.731 -5.076 -11.910 804 HG2 LYS 89 HG3 LYS 89 -8.559 -3.477 -13.155 805 HG3 LYS 89 HG2 LYS 89 -7.095 -3.694 -12.199 806 HD2 LYS 89 HD3 LYS 89 -8.266 -5.917 -13.843 807 HD3 LYS 89 HD2 LYS 89 -7.145 -4.739 -14.528 808 HE2 LYS 89 HE3 LYS 89 -5.474 -5.348 -12.860 809 HE3 LYS 89 HE2 LYS 89 -6.597 -6.501 -12.142 810 HZ1 LYS 89 HZ1 LYS 89 -4.983 -7.556 -13.629 811 HZ2 LYS 89 HZ2 LYS 89 -5.573 -6.646 -14.928 812 HZ3 LYS 89 HZ3 LYS 89 -6.572 -7.780 -14.162 813 H ILE 90 H ILE 90 -7.890 -5.296 -8.577 814 HA ILE 90 HA ILE 90 -5.400 -3.785 -8.456 815 HB ILE 90 HB ILE 90 -7.215 -4.268 -6.094 816 HG12 ILE 90 HG13 ILE 90 -5.906 -1.762 -7.174 817 HG13 ILE 90 HG12 ILE 90 -7.598 -2.203 -7.379 818 HG21 ILE 90 HG21 ILE 90 -5.375 -3.425 -4.682 819 HG22 ILE 90 HG22 ILE 90 -4.307 -3.479 -6.086 820 HG23 ILE 90 HG23 ILE 90 -5.004 -4.970 -5.449 821 HD11 ILE 90 HD11 ILE 90 -7.332 -0.541 -5.650 822 HD12 ILE 90 HD12 ILE 90 -6.224 -1.601 -4.776 823 HD13 ILE 90 HD13 ILE 90 -7.916 -2.061 -4.964 824 H THR 91 H THR 91 -3.764 -5.146 -8.469 825 HA THR 91 HA THR 91 -4.286 -7.949 -7.752 826 HB THR 91 HB THR 91 -2.130 -6.910 -9.577 827 HG1 THR 91 HG1 THR 91 -3.495 -7.458 -11.280 828 HG21 THR 91 HG21 THR 91 -3.252 -9.679 -9.174 829 HG22 THR 91 HG22 THR 91 -1.671 -9.111 -8.634 830 HG23 THR 91 HG23 THR 91 -2.024 -9.233 -10.358 831 H PHE 92 H PHE 92 -2.946 -8.981 -6.376 832 HA PHE 92 HA PHE 92 -0.705 -7.446 -5.215 833 HB2 PHE 92 HB3 PHE 92 -2.775 -9.169 -3.959 834 HB3 PHE 92 HB2 PHE 92 -1.143 -9.306 -3.325 835 HD1 PHE 92 HD1 PHE 92 -4.189 -7.533 -3.162 836 HD2 PHE 92 HD2 PHE 92 0.003 -7.096 -2.623 837 HE1 PHE 92 HE1 PHE 92 -4.583 -5.591 -1.707 838 HE2 PHE 92 HE2 PHE 92 -0.381 -5.154 -1.164 839 HZ PHE 92 HZ PHE 92 -2.678 -4.400 -0.704 840 H ASP 93 H ASP 93 1.273 -8.486 -5.081 841 HA ASP 93 HA ASP 93 1.547 -11.309 -5.392 842 HB2 ASP 93 HB3 ASP 93 1.088 -10.257 -7.785 843 HB3 ASP 93 HB2 ASP 93 2.793 -9.836 -7.680 844 H LEU 94 H LEU 94 3.907 -11.904 -5.551 845 HA LEU 94 HA LEU 94 5.504 -9.889 -4.113 846 HB2 LEU 94 HB3 LEU 94 5.725 -12.887 -4.212 847 HB3 LEU 94 HB2 LEU 94 7.018 -11.875 -3.610 848 HG LEU 94 HG LEU 94 4.427 -12.577 -2.358 849 HD11 LEU 94 HD11 LEU 94 7.196 -12.035 -1.347 850 HD12 LEU 94 HD12 LEU 94 6.458 -13.616 -1.604 851 HD13 LEU 94 HD13 LEU 94 5.836 -12.541 -0.347 852 HD21 LEU 94 HD21 LEU 94 4.494 -10.627 -0.893 853 HD22 LEU 94 HD22 LEU 94 4.203 -10.162 -2.569 854 HD23 LEU 94 HD23 LEU 94 5.803 -9.946 -1.857 855 H LYS 95 H LYS 95 7.159 -8.975 -5.086 856 HA LYS 95 HA LYS 95 8.020 -9.884 -7.713 857 HB2 LYS 95 HB3 LYS 95 7.851 -7.481 -7.389 858 HB3 LYS 95 HB2 LYS 95 8.848 -7.565 -5.942 859 HG2 LYS 95 HG3 LYS 95 10.727 -8.357 -7.393 860 HG3 LYS 95 HG2 LYS 95 9.712 -7.994 -8.789 861 HD2 LYS 95 HD3 LYS 95 9.594 -5.670 -8.150 862 HD3 LYS 95 HD2 LYS 95 10.475 -6.002 -6.658 863 HE2 LYS 95 HE3 LYS 95 11.516 -6.226 -9.478 864 HE3 LYS 95 HE2 LYS 95 11.985 -5.038 -8.262 865 HZ1 LYS 95 HZ1 LYS 95 12.621 -7.915 -8.366 866 HZ2 LYS 95 HZ2 LYS 95 12.681 -7.080 -6.900 867 HZ3 LYS 95 HZ3 LYS 95 13.674 -6.603 -8.189 868 H ASP 96 H ASP 96 9.292 -9.305 -4.508 869 HA ASP 96 HA ASP 96 11.015 -11.662 -4.742 870 HB2 ASP 96 HB3 ASP 96 11.818 -9.111 -3.309 871 HB3 ASP 96 HB2 ASP 96 12.802 -10.544 -3.543 872 HA PRO 97 HA PRO 97 9.154 -12.523 -0.758 873 HB2 PRO 97 HB3 PRO 97 11.742 -13.287 0.410 874 HB3 PRO 97 HB2 PRO 97 10.334 -14.297 0.063 875 HG2 PRO 97 HG3 PRO 97 12.603 -14.508 -1.360 876 HG3 PRO 97 HG2 PRO 97 11.010 -14.718 -2.109 877 HD2 PRO 97 HD3 PRO 97 12.804 -12.310 -2.124 878 HD3 PRO 97 HD2 PRO 97 11.906 -13.043 -3.470 879 H ASN 98 H ASN 98 11.143 -10.062 -1.299 880 HA ASN 98 HA ASN 98 10.977 -9.005 1.439 881 HB2 ASN 98 HB3 ASN 98 13.089 -8.553 -0.676 882 HB3 ASN 98 HB2 ASN 98 12.930 -7.538 0.752 883 HD21 ASN 98 HD21 ASN 98 13.479 -8.356 2.750 884 HD22 ASN 98 HD22 ASN 98 14.397 -9.809 2.932 885 H THR 99 H THR 99 9.389 -8.907 -1.312 886 HA THR 99 HA THR 99 8.605 -6.146 -0.975 887 HB THR 99 HB THR 99 9.676 -7.052 -3.653 888 HG1 THR 99 HG1 THR 99 10.821 -5.786 -1.494 889 HG21 THR 99 HG21 THR 99 9.258 -4.735 -4.339 890 HG22 THR 99 HG22 THR 99 8.567 -4.387 -2.753 891 HG23 THR 99 HG23 THR 99 7.763 -5.526 -3.834 892 H LEU 100 H LEU 100 6.526 -6.466 -0.700 893 HA LEU 100 HA LEU 100 4.951 -8.178 -2.451 894 HB2 LEU 100 HB3 LEU 100 4.306 -8.162 -0.156 895 HB3 LEU 100 HB2 LEU 100 4.373 -6.418 -0.075 896 HG LEU 100 HG LEU 100 2.371 -6.302 -1.534 897 HD11 LEU 100 HD11 LEU 100 2.496 -8.337 -2.733 898 HD12 LEU 100 HD12 LEU 100 1.040 -8.408 -1.741 899 HD13 LEU 100 HD13 LEU 100 2.485 -9.288 -1.250 900 HD21 LEU 100 HD21 LEU 100 2.140 -6.166 0.878 901 HD22 LEU 100 HD22 LEU 100 2.076 -7.924 0.989 902 HD23 LEU 100 HD23 LEU 100 0.781 -7.044 0.178 903 H THR 101 H THR 101 3.481 -7.318 -4.063 904 HA THR 101 HA THR 101 3.773 -4.416 -4.475 905 HB THR 101 HB THR 101 3.370 -4.941 -6.934 906 HG1 THR 101 HG1 THR 101 3.856 -7.534 -5.898 907 HG21 THR 101 HG21 THR 101 5.743 -5.408 -7.340 908 HG22 THR 101 HG22 THR 101 5.939 -5.866 -5.646 909 HG23 THR 101 HG23 THR 101 5.522 -4.205 -6.068 910 H GLU 102 H GLU 102 1.998 -3.260 -4.656 911 HA GLU 102 HA GLU 102 -0.569 -4.666 -5.018 912 HB2 GLU 102 HB3 GLU 102 -0.254 -3.403 -2.851 913 HB3 GLU 102 HB2 GLU 102 -0.158 -1.925 -3.798 914 HG2 GLU 102 HG3 GLU 102 -2.415 -2.311 -4.638 915 HG3 GLU 102 HG2 GLU 102 -2.513 -3.801 -3.706 916 H THR 103 H THR 103 -0.942 -4.599 -7.160 917 HA THR 103 HA THR 103 -0.185 -2.205 -8.654 918 HB THR 103 HB THR 103 -1.091 -4.903 -9.679 919 HG1 THR 103 HG1 THR 103 1.558 -3.866 -9.660 920 HG21 THR 103 HG21 THR 103 -1.439 -3.080 -11.284 921 HG22 THR 103 HG22 THR 103 -0.141 -4.153 -11.810 922 HG23 THR 103 HG23 THR 103 0.244 -2.589 -11.091 923 H HIS 104 H HIS 104 -1.690 -0.712 -8.834 924 HA HIS 104 HA HIS 104 -4.522 -1.435 -8.783 925 HB2 HIS 104 HB3 HIS 104 -3.229 1.304 -8.818 926 HB3 HIS 104 HB2 HIS 104 -4.934 0.966 -8.566 927 HD1 HIS 104 HD1 HIS 104 -3.279 2.583 -6.531 928 HD2 HIS 104 HD2 HIS 104 -3.960 -1.522 -6.293 929 HE1 HIS 104 HE1 HIS 104 -3.064 1.986 -4.094 930 HE2 HIS 104 HE2 HIS 104 -3.558 -0.482 -3.953 931 H ILE 105 H ILE 105 -5.294 -2.021 -10.743 932 HA ILE 105 HA ILE 105 -4.453 -0.403 -13.050 933 HB ILE 105 HB ILE 105 -5.537 -3.212 -13.001 934 HG12 ILE 105 HG13 ILE 105 -2.838 -2.049 -13.686 935 HG13 ILE 105 HG12 ILE 105 -3.224 -3.140 -12.358 936 HG21 ILE 105 HG21 ILE 105 -5.194 -3.191 -15.443 937 HG22 ILE 105 HG22 ILE 105 -4.820 -1.470 -15.354 938 HG23 ILE 105 HG23 ILE 105 -6.433 -2.045 -14.926 939 HD11 ILE 105 HD11 ILE 105 -3.355 -3.796 -15.281 940 HD12 ILE 105 HD12 ILE 105 -3.748 -4.894 -13.959 941 HD13 ILE 105 HD13 ILE 105 -2.098 -4.303 -14.153 942 H LYS 106 H LYS 106 -5.855 1.044 -13.645 943 HA LYS 106 HA LYS 106 -8.532 1.117 -12.872 944 HB2 LYS 106 HB3 LYS 106 -7.073 2.552 -15.080 945 HB3 LYS 106 HB2 LYS 106 -8.742 2.899 -14.637 946 HG2 LYS 106 HG3 LYS 106 -8.028 3.453 -12.368 947 HG3 LYS 106 HG2 LYS 106 -6.357 3.109 -12.811 948 HD2 LYS 106 HD3 LYS 106 -6.342 4.931 -14.375 949 HD3 LYS 106 HD2 LYS 106 -8.066 5.210 -14.128 950 HE2 LYS 106 HE3 LYS 106 -7.642 5.791 -11.794 951 HE3 LYS 106 HE2 LYS 106 -5.921 5.494 -12.028 952 HZ1 LYS 106 HZ1 LYS 106 -6.469 7.848 -12.147 953 HZ2 LYS 106 HZ2 LYS 106 -7.503 7.559 -13.452 954 HZ3 LYS 106 HZ3 LYS 106 -5.837 7.288 -13.614 955 H VAL 107 H VAL 107 -10.058 -0.177 -13.400 956 HA VAL 107 HA VAL 107 -10.134 -1.975 -15.489 957 HB VAL 107 HB VAL 107 -12.601 -2.115 -15.116 958 HG11 VAL 107 HG11 VAL 107 -10.786 -2.308 -12.721 959 HG12 VAL 107 HG12 VAL 107 -11.074 -3.563 -13.924 960 HG13 VAL 107 HG13 VAL 107 -12.377 -3.053 -12.852 961 HG21 VAL 107 HG21 VAL 107 -13.013 0.147 -14.487 962 HG22 VAL 107 HG22 VAL 107 -11.921 0.003 -13.118 963 HG23 VAL 107 HG23 VAL 107 -13.436 -0.895 -13.129 964 H ASP 108 H ASP 108 -10.922 1.371 -15.488 965 HA ASP 108 HA ASP 108 -12.446 1.301 -17.939 966 HB2 ASP 108 HB3 ASP 108 -12.930 3.026 -16.276 967 HB3 ASP 108 HB2 ASP 108 -11.280 3.628 -16.395 968 H ASP 109 H ASP 109 -9.191 2.163 -16.928 969 HA ASP 109 HA ASP 109 -8.263 1.895 -19.660 970 HB2 ASP 109 HB3 ASP 109 -8.764 4.294 -19.480 971 HB3 ASP 109 HB2 ASP 109 -7.759 4.402 -18.037 972 HA PRO 110 HA PRO 110 -5.453 -0.165 -16.814 973 HB2 PRO 110 HB3 PRO 110 -4.665 -2.049 -18.559 974 HB3 PRO 110 HB2 PRO 110 -6.237 -2.111 -17.755 975 HG2 PRO 110 HG3 PRO 110 -5.569 -1.143 -20.508 976 HG3 PRO 110 HG2 PRO 110 -6.890 -2.202 -19.986 977 HD2 PRO 110 HD3 PRO 110 -7.241 0.431 -20.437 978 HD3 PRO 110 HD2 PRO 110 -8.164 -0.464 -19.223 979 H THR 111 H THR 111 -4.776 2.106 -18.991 980 HA THR 111 HA THR 111 -1.919 1.413 -19.056 981 HB THR 111 HB THR 111 -1.606 3.093 -20.781 982 HG1 THR 111 HG1 THR 111 -4.237 3.786 -20.101 983 HG21 THR 111 HG21 THR 111 -3.910 1.237 -21.358 984 HG22 THR 111 HG22 THR 111 -2.195 0.856 -21.500 985 HG23 THR 111 HG23 THR 111 -2.927 2.042 -22.580 986 H ASP 112 H ASP 112 -4.226 3.439 -17.561 987 HA ASP 112 HA ASP 112 -2.169 5.307 -16.620 988 HB2 ASP 112 HB3 ASP 112 -4.395 6.133 -17.511 989 HB3 ASP 112 HB2 ASP 112 -5.154 5.382 -16.114 990 H VAL 113 H VAL 113 -1.912 2.734 -15.827 991 HA VAL 113 HA VAL 113 -3.131 1.979 -13.440 992 HB VAL 113 HB VAL 113 -1.210 0.430 -13.186 993 HG11 VAL 113 HG11 VAL 113 -3.152 -0.175 -14.503 994 HG12 VAL 113 HG12 VAL 113 -1.684 -0.862 -15.193 995 HG13 VAL 113 HG13 VAL 113 -2.427 0.557 -15.932 996 HG21 VAL 113 HG21 VAL 113 0.558 1.837 -14.082 997 HG22 VAL 113 HG22 VAL 113 -0.201 1.799 -15.673 998 HG23 VAL 113 HG23 VAL 113 0.464 0.321 -14.979 999 H GLU 114 H GLU 114 -1.398 1.271 -11.637 1000 HA GLU 114 HA GLU 114 0.428 3.292 -10.780 1001 HB2 GLU 114 HB3 GLU 114 -1.589 4.473 -10.175 1002 HB3 GLU 114 HB2 GLU 114 -2.272 3.030 -9.444 1003 HG2 GLU 114 HG3 GLU 114 -0.404 3.112 -7.774 1004 HG3 GLU 114 HG2 GLU 114 0.011 4.696 -8.435 1005 H THR 115 H THR 115 1.774 2.414 -9.138 1006 HA THR 115 HA THR 115 0.896 -0.092 -7.929 1007 HB THR 115 HB THR 115 3.496 0.112 -9.458 1008 HG1 THR 115 HG1 THR 115 1.021 -0.430 -10.278 1009 HG21 THR 115 HG21 THR 115 3.711 -2.285 -8.978 1010 HG22 THR 115 HG22 THR 115 2.228 -2.232 -8.024 1011 HG23 THR 115 HG23 THR 115 3.657 -1.349 -7.485 1012 H TYR 116 H TYR 116 1.442 -0.289 -5.918 1013 HA TYR 116 HA TYR 116 3.674 1.313 -4.813 1014 HB2 TYR 116 HB3 TYR 116 1.423 0.029 -3.237 1015 HB3 TYR 116 HB2 TYR 116 2.627 1.155 -2.638 1016 HD1 TYR 116 HD1 TYR 116 2.276 3.052 -5.154 1017 HD2 TYR 116 HD2 TYR 116 -0.401 1.303 -2.349 1018 HE1 TYR 116 HE1 TYR 116 0.699 4.906 -5.503 1019 HE2 TYR 116 HE2 TYR 116 -1.981 3.151 -2.693 1020 HH TYR 116 HH TYR 116 -1.693 5.375 -5.262 1021 H GLU 117 H GLU 117 5.008 0.020 -3.105 1022 HA GLU 117 HA GLU 117 4.545 -2.822 -3.267 1023 HB2 GLU 117 HB3 GLU 117 6.870 -3.340 -3.818 1024 HB3 GLU 117 HB2 GLU 117 6.106 -2.429 -5.111 1025 HG2 GLU 117 HG3 GLU 117 7.200 -0.389 -4.256 1026 HG3 GLU 117 HG2 GLU 117 8.040 -1.381 -3.067 1027 H TYR 118 H TYR 118 5.169 -3.878 -1.470 1028 HA TYR 118 HA TYR 118 5.865 -2.143 0.793 1029 HB2 TYR 118 HB3 TYR 118 4.331 -4.755 0.758 1030 HB3 TYR 118 HB2 TYR 118 4.631 -3.757 2.178 1031 HD1 TYR 118 HD1 TYR 118 3.735 -1.363 2.122 1032 HD2 TYR 118 HD2 TYR 118 2.384 -4.377 -0.548 1033 HE1 TYR 118 HE1 TYR 118 1.712 -0.063 1.682 1034 HE2 TYR 118 HE2 TYR 118 0.363 -3.082 -0.990 1035 HH TYR 118 HH TYR 118 -0.812 -1.342 -0.435 1036 H ARG 119 H ARG 119 7.856 -2.347 1.465 1037 HA ARG 119 HA ARG 119 9.040 -5.045 1.597 1038 HB2 ARG 119 HB3 ARG 119 11.255 -4.010 1.253 1039 HB3 ARG 119 HB2 ARG 119 10.192 -3.778 -0.125 1040 HG2 ARG 119 HG3 ARG 119 9.690 -1.489 0.771 1041 HG3 ARG 119 HG2 ARG 119 10.971 -1.753 1.957 1042 HD2 ARG 119 HD3 ARG 119 12.580 -2.093 0.150 1043 HD3 ARG 119 HD2 ARG 119 11.303 -1.851 -1.039 1044 HE ARG 119 HE ARG 119 11.742 0.324 0.834 1045 HH11 ARG 119 HH11 ARG 119 12.386 -1.002 -2.340 1046 HH12 ARG 119 HH12 ARG 119 12.859 0.525 -3.019 1047 HH21 ARG 119 HH21 ARG 119 12.325 2.340 -0.076 1048 HH22 ARG 119 HH22 ARG 119 12.803 2.423 -1.738 1049 H ARG 120 H ARG 120 10.426 -5.435 3.425 1050 HA ARG 120 HA ARG 120 9.574 -3.799 5.712 1051 HB2 ARG 120 HB3 ARG 120 8.918 -6.164 5.790 1052 HB3 ARG 120 HB2 ARG 120 10.603 -6.641 5.643 1053 HG2 ARG 120 HG3 ARG 120 10.126 -6.856 7.914 1054 HG3 ARG 120 HG2 ARG 120 10.991 -5.327 7.787 1055 HD2 ARG 120 HD3 ARG 120 8.853 -4.118 7.833 1056 HD3 ARG 120 HD2 ARG 120 7.999 -5.656 7.973 1057 HE ARG 120 HE ARG 120 9.990 -4.926 10.004 1058 HH11 ARG 120 HH11 ARG 120 6.647 -5.589 9.157 1059 HH12 ARG 120 HH12 ARG 120 6.131 -5.702 10.811 1060 HH21 ARG 120 HH21 ARG 120 9.302 -5.132 12.167 1061 HH22 ARG 120 HH22 ARG 120 7.630 -5.430 12.513 1062 H ASP 121 H ASP 121 11.015 -2.471 6.555 1063 HA ASP 121 HA ASP 121 13.858 -3.234 6.437 1064 HB2 ASP 121 HB3 ASP 121 13.299 -1.205 5.101 1065 HB3 ASP 121 HB2 ASP 121 12.715 -0.436 6.572 1066 H GLY 122 H GLY 122 13.990 -4.283 8.365 1067 HA2 GLY 122 HA3 GLY 122 14.217 -4.509 10.640 1068 HA3 GLY 122 HA2 GLY 122 14.169 -2.752 10.744 1069 H ASP 123 H ASP 123 12.521 -1.937 11.841 1070 HA ASP 123 HA ASP 123 10.137 -3.599 12.254 1071 HB2 ASP 123 HB3 ASP 123 11.066 -1.101 13.687 1072 HB3 ASP 123 HB2 ASP 123 9.568 -1.952 14.039 1073 H TYR 124 H TYR 124 11.091 -1.498 10.032 1074 HA TYR 124 HA TYR 124 8.601 0.053 10.031 1075 HB2 TYR 124 HB3 TYR 124 11.302 0.610 8.811 1076 HB3 TYR 124 HB2 TYR 124 9.861 1.543 8.407 1077 HD1 TYR 124 HD1 TYR 124 12.212 0.675 11.109 1078 HD2 TYR 124 HD2 TYR 124 8.964 3.148 9.926 1079 HE1 TYR 124 HE1 TYR 124 12.548 2.067 13.102 1080 HE2 TYR 124 HE2 TYR 124 9.286 4.542 11.923 1081 HH TYR 124 HH TYR 124 12.075 4.335 13.867 1082 H LEU 125 H LEU 125 7.141 -0.229 8.516 1083 HA LEU 125 HA LEU 125 7.634 -2.026 6.302 1084 HB2 LEU 125 HB3 LEU 125 5.533 -1.991 7.739 1085 HB3 LEU 125 HB2 LEU 125 5.151 -0.445 7.022 1086 HG LEU 125 HG LEU 125 3.929 -2.481 6.126 1087 HD11 LEU 125 HD11 LEU 125 3.796 -1.640 3.932 1088 HD12 LEU 125 HD12 LEU 125 5.416 -0.944 4.020 1089 HD13 LEU 125 HD13 LEU 125 4.106 -0.254 4.979 1090 HD21 LEU 125 HD21 LEU 125 6.580 -2.974 4.786 1091 HD22 LEU 125 HD22 LEU 125 5.066 -3.808 4.434 1092 HD23 LEU 125 HD23 LEU 125 5.830 -3.995 6.015 1093 H VAL 126 H VAL 126 8.414 -1.214 4.420 1094 HA VAL 126 HA VAL 126 8.259 1.711 4.094 1095 HB VAL 126 HB VAL 126 10.504 -0.094 3.163 1096 HG11 VAL 126 HG11 VAL 126 11.654 2.010 2.617 1097 HG12 VAL 126 HG12 VAL 126 10.202 2.908 3.060 1098 HG13 VAL 126 HG13 VAL 126 10.173 1.806 1.684 1099 HG21 VAL 126 HG21 VAL 126 10.517 0.155 5.586 1100 HG22 VAL 126 HG22 VAL 126 10.431 1.909 5.419 1101 HG23 VAL 126 HG23 VAL 126 11.861 1.037 4.864 1102 H MET 127 H MET 127 7.558 2.473 2.196 1103 HA MET 127 HA MET 127 6.753 0.442 0.227 1104 HB2 MET 127 HB3 MET 127 5.511 3.103 0.904 1105 HB3 MET 127 HB2 MET 127 5.043 2.131 -0.487 1106 HG2 MET 127 HG3 MET 127 4.330 0.346 0.930 1107 HG3 MET 127 HG2 MET 127 4.945 1.181 2.350 1108 HE1 MET 127 HE1 MET 127 2.144 1.106 -0.427 1109 HE2 MET 127 HE2 MET 127 3.031 2.598 -0.747 1110 HE3 MET 127 HE3 MET 127 1.373 2.668 -0.155 1111 H LYS 128 H LYS 128 6.903 0.908 -1.942 1112 HA LYS 128 HA LYS 128 8.387 3.315 -2.690 1113 HB2 LYS 128 HB3 LYS 128 10.103 1.681 -2.779 1114 HB3 LYS 128 HB2 LYS 128 9.028 0.473 -3.467 1115 HG2 LYS 128 HG3 LYS 128 8.915 1.823 -5.542 1116 HG3 LYS 128 HG2 LYS 128 10.098 2.930 -4.845 1117 HD2 LYS 128 HD3 LYS 128 11.795 1.314 -4.875 1118 HD3 LYS 128 HD2 LYS 128 10.647 -0.013 -5.070 1119 HE2 LYS 128 HE3 LYS 128 11.227 2.112 -7.135 1120 HE3 LYS 128 HE2 LYS 128 11.890 0.478 -7.142 1121 HZ1 LYS 128 HZ1 LYS 128 9.060 1.289 -7.495 1122 HZ2 LYS 128 HZ2 LYS 128 9.513 -0.311 -7.176 1123 HZ3 LYS 128 HZ3 LYS 128 10.048 0.459 -8.587 1124 H MET 129 H MET 129 7.565 4.320 -4.382 1125 HA MET 129 HA MET 129 5.850 2.900 -6.264 1126 HB2 MET 129 HB3 MET 129 4.260 4.926 -6.138 1127 HB3 MET 129 HB2 MET 129 4.167 3.737 -4.845 1128 HG2 MET 129 HG3 MET 129 5.816 5.277 -3.612 1129 HG3 MET 129 HG2 MET 129 5.329 6.486 -4.794 1130 HE1 MET 129 HE1 MET 129 2.289 6.109 -5.270 1131 HE2 MET 129 HE2 MET 129 3.028 7.660 -4.865 1132 HE3 MET 129 HE3 MET 129 1.603 7.103 -3.985 1133 H SER 130 H SER 130 6.218 3.564 -8.330 1134 HA SER 130 HA SER 130 7.944 5.910 -8.667 1135 HB2 SER 130 HB3 SER 130 9.016 4.242 -10.498 1136 HB3 SER 130 HB2 SER 130 9.626 4.392 -8.849 1137 HG SER 130 HG SER 130 7.785 2.450 -9.817 1138 H TRP 131 H TRP 131 7.298 7.237 -10.167 1139 HA TRP 131 HA TRP 131 5.756 6.235 -12.460 1140 HB2 TRP 131 HB3 TRP 131 4.294 7.243 -10.615 1141 HB3 TRP 131 HB2 TRP 131 5.052 8.786 -10.994 1142 HD1 TRP 131 HD1 TRP 131 4.019 10.137 -12.949 1143 HE1 TRP 131 HE1 TRP 131 2.141 9.703 -14.662 1144 HE3 TRP 131 HE3 TRP 131 3.219 5.178 -12.028 1145 HZ2 TRP 131 HZ2 TRP 131 0.549 7.535 -15.513 1146 HZ3 TRP 131 HZ3 TRP 131 1.506 3.995 -13.337 1147 HH2 TRP 131 HH2 TRP 131 0.196 5.152 -15.043 1148 H LYS 132 H LYS 132 6.531 6.937 -14.322 1149 HA LYS 132 HA LYS 132 7.934 7.894 -15.797 1150 HB2 LYS 132 HB3 LYS 132 7.203 10.361 -14.220 1151 HB3 LYS 132 HB2 LYS 132 7.955 10.370 -15.809 1152 HG2 LYS 132 HG3 LYS 132 6.017 9.321 -16.780 1153 HG3 LYS 132 HG2 LYS 132 5.274 9.150 -15.189 1154 HD2 LYS 132 HD3 LYS 132 5.231 11.593 -14.963 1155 HD3 LYS 132 HD2 LYS 132 5.946 11.746 -16.570 1156 HE2 LYS 132 HE3 LYS 132 4.026 10.786 -17.599 1157 HE3 LYS 132 HE2 LYS 132 3.348 10.323 -16.038 1158 HZ1 LYS 132 HZ1 LYS 132 3.148 12.686 -15.496 1159 HZ2 LYS 132 HZ2 LYS 132 2.255 12.280 -16.874 1160 HZ3 LYS 132 HZ3 LYS 132 3.729 13.095 -17.032 1161 H GLY 133 H GLY 133 9.341 6.654 -13.820 1162 HA2 GLY 133 HA3 GLY 133 11.619 6.500 -13.356 1163 HA3 GLY 133 HA2 GLY 133 11.813 8.164 -13.884 1164 H VAL 134 H VAL 134 9.642 9.074 -12.087 1165 HA VAL 134 HA VAL 134 11.369 9.636 -9.860 1166 HB VAL 134 HB VAL 134 8.452 10.373 -10.102 1167 HG11 VAL 134 HG11 VAL 134 9.037 12.156 -8.537 1168 HG12 VAL 134 HG12 VAL 134 10.704 11.584 -8.497 1169 HG13 VAL 134 HG13 VAL 134 9.408 10.571 -7.859 1170 HG21 VAL 134 HG21 VAL 134 9.234 12.532 -10.980 1171 HG22 VAL 134 HG22 VAL 134 9.633 11.192 -12.057 1172 HG23 VAL 134 HG23 VAL 134 10.879 11.902 -11.032 1173 H SER 135 H SER 135 11.703 8.028 -8.463 1174 HA SER 135 HA SER 135 9.437 6.460 -7.526 1175 HB2 SER 135 HB3 SER 135 12.252 5.952 -6.712 1176 HB3 SER 135 HB2 SER 135 10.947 4.824 -6.998 1177 HG SER 135 HG SER 135 11.657 6.234 -9.228 1178 H THR 136 H THR 136 8.783 6.540 -5.474 1179 HA THR 136 HA THR 136 10.307 8.188 -3.579 1180 HB THR 136 HB THR 136 8.503 9.609 -4.247 1181 HG1 THR 136 HG1 THR 136 8.901 9.421 -1.947 1182 HG21 THR 136 HG21 THR 136 6.588 7.385 -3.578 1183 HG22 THR 136 HG22 THR 136 7.083 7.817 -5.214 1184 HG23 THR 136 HG23 THR 136 6.189 8.976 -4.229 1185 H SER 137 H SER 137 10.359 7.483 -1.501 1186 HA SER 137 HA SER 137 9.074 4.889 -0.976 1187 HB2 SER 137 HB3 SER 137 11.619 5.975 0.258 1188 HB3 SER 137 HB2 SER 137 10.942 4.363 0.483 1189 HG SER 137 HG SER 137 11.452 5.206 -2.129 1190 H ARG 138 H ARG 138 7.452 5.038 0.428 1191 HA ARG 138 HA ARG 138 7.420 7.251 2.336 1192 HB2 ARG 138 HB3 ARG 138 5.270 5.197 1.796 1193 HB3 ARG 138 HB2 ARG 138 5.104 6.647 2.776 1194 HG2 ARG 138 HG3 ARG 138 5.663 7.944 0.658 1195 HG3 ARG 138 HG2 ARG 138 5.388 6.429 -0.201 1196 HD2 ARG 138 HD3 ARG 138 3.325 7.524 -0.295 1197 HD3 ARG 138 HD2 ARG 138 3.139 6.360 1.016 1198 HE ARG 138 HE ARG 138 3.997 8.987 1.855 1199 HH11 ARG 138 HH11 ARG 138 1.285 6.843 1.300 1200 HH12 ARG 138 HH12 ARG 138 0.178 7.816 2.220 1201 HH21 ARG 138 HH21 ARG 138 2.529 10.272 3.070 1202 HH22 ARG 138 HH22 ARG 138 0.878 9.763 3.217 1203 H TYR 139 H TYR 139 7.416 6.947 4.550 1204 HA TYR 139 HA TYR 139 8.479 4.325 5.332 1205 HB2 TYR 139 HB3 TYR 139 8.926 7.068 6.503 1206 HB3 TYR 139 HB2 TYR 139 9.461 5.585 7.284 1207 HD1 TYR 139 HD1 TYR 139 10.029 7.883 4.484 1208 HD2 TYR 139 HD2 TYR 139 11.286 4.285 6.373 1209 HE1 TYR 139 HE1 TYR 139 12.104 7.918 3.162 1210 HE2 TYR 139 HE2 TYR 139 13.360 4.313 5.061 1211 HH TYR 139 HH TYR 139 14.221 5.237 2.991 1212 H TYR 140 H TYR 140 6.986 3.112 6.175 1213 HA TYR 140 HA TYR 140 5.182 4.243 8.210 1214 HB2 TYR 140 HB3 TYR 140 4.971 1.695 6.577 1215 HB3 TYR 140 HB2 TYR 140 3.873 2.129 7.877 1216 HD1 TYR 140 HD1 TYR 140 1.896 3.151 7.332 1217 HD2 TYR 140 HD2 TYR 140 5.172 3.514 4.646 1218 HE1 TYR 140 HE1 TYR 140 0.450 4.319 5.736 1219 HE2 TYR 140 HE2 TYR 140 3.724 4.687 3.038 1220 HH TYR 140 HH TYR 140 1.363 4.926 2.493 1221 H LYS 141 H LYS 141 5.066 3.145 10.225 1222 HA LYS 141 HA LYS 141 6.586 0.655 10.398 1223 HB2 LYS 141 HB3 LYS 141 7.581 1.088 12.449 1224 HB3 LYS 141 HB2 LYS 141 7.770 2.617 11.611 1225 HG2 LYS 141 HG3 LYS 141 5.521 2.074 13.523 1226 HG3 LYS 141 HG2 LYS 141 7.079 2.731 14.025 1227 HD2 LYS 141 HD3 LYS 141 6.729 4.570 12.371 1228 HD3 LYS 141 HD2 LYS 141 5.096 3.954 12.122 1229 HE2 LYS 141 HE3 LYS 141 4.447 4.420 14.326 1230 HE3 LYS 141 HE2 LYS 141 6.126 4.612 14.858 1231 HZ1 LYS 141 HZ1 LYS 141 5.003 6.748 14.656 1232 HZ2 LYS 141 HZ2 LYS 141 4.694 6.455 13.021 1233 HZ3 LYS 141 HZ3 LYS 141 6.290 6.636 13.558 1234 H LYS 142 H LYS 142 5.787 -0.479 12.547 1235 HA LYS 142 HA LYS 142 3.109 -1.062 12.318 1236 HB2 LYS 142 HB3 LYS 142 4.764 -2.383 13.603 1237 HB3 LYS 142 HB2 LYS 142 4.739 -1.160 14.864 1238 HG2 LYS 142 HG3 LYS 142 2.397 -1.634 15.305 1239 HG3 LYS 142 HG2 LYS 142 2.383 -2.826 14.007 1240 HD2 LYS 142 HD3 LYS 142 3.948 -4.214 15.190 1241 HD3 LYS 142 HD2 LYS 142 4.167 -2.979 16.432 1242 HE2 LYS 142 HE3 LYS 142 1.550 -4.353 15.836 1243 HE3 LYS 142 HE2 LYS 142 2.663 -4.846 17.110 1244 HZ1 LYS 142 HZ1 LYS 142 0.810 -3.390 17.856 1245 HZ2 LYS 142 HZ2 LYS 142 1.473 -2.127 16.941 1246 HZ3 LYS 142 HZ3 LYS 142 2.349 -2.792 18.226 1247 H GLN 143 H GLN 143 1.209 -0.474 13.646 1248 HA GLN 143 HA GLN 143 1.133 2.081 14.863 1249 HB2 GLN 143 HB3 GLN 143 -0.573 -0.390 15.267 1250 HB3 GLN 143 HB2 GLN 143 -0.917 1.147 16.042 1251 HG2 GLN 143 HG3 GLN 143 -0.632 1.005 13.085 1252 HG3 GLN 143 HG2 GLN 143 -2.119 0.457 13.852 1253 HE21 GLN 143 HE21 GLN 143 -1.633 2.672 12.073 1254 HE22 GLN 143 HE22 GLN 143 -2.187 4.090 12.892 1255 H21 OLA1001 H21 OLA1001 -0.493 5.392 -1.969 1256 H22 OLA1001 H22 OLA1001 1.111 6.067 -1.697 1257 H31 OLA1001 H31 OLA1001 -0.429 7.873 -1.837 1258 H32 OLA1001 H32 OLA1001 0.079 7.727 -0.156 1259 H41 OLA1001 H41 OLA1001 -1.984 6.608 0.419 1260 H42 OLA1001 H42 OLA1001 -2.487 6.606 -1.275 1261 H51 OLA1001 H51 OLA1001 -2.391 9.091 -1.237 1262 H52 OLA1001 H52 OLA1001 -2.068 9.014 0.494 1263 H61 OLA1001 H61 OLA1001 -4.199 7.969 0.900 1264 H62 OLA1001 H62 OLA1001 -4.520 7.860 -0.830 1265 H71 OLA1001 H71 OLA1001 -4.209 10.417 0.748 1266 H72 OLA1001 H72 OLA1001 -5.737 9.731 0.187 1267 H81 OLA1001 H81 OLA1001 -5.047 9.983 -2.107 1268 H82 OLA1001 H82 OLA1001 -3.458 10.536 -1.609 1269 H9 OLA1001 H9 OLA1001 -4.252 12.688 -1.097 1270 H10 OLA1001 H10 OLA1001 -6.385 13.429 -1.784 1271 H111 OLA1001 H111 OLA1001 -8.214 11.891 -1.822 1272 H112 OLA1001 H112 OLA1001 -7.148 10.500 -1.875 1273 H121 OLA1001 H121 OLA1001 -7.337 12.382 -4.201 1274 H122 OLA1001 H122 OLA1001 -8.520 11.098 -3.968 1275 H131 OLA1001 H131 OLA1001 -6.919 10.189 -5.425 1276 H132 OLA1001 H132 OLA1001 -6.543 9.502 -3.844 1277 H141 OLA1001 H141 OLA1001 -4.912 11.490 -3.627 1278 H142 OLA1001 H142 OLA1001 -5.083 11.610 -5.380 1279 H151 OLA1001 H151 OLA1001 -4.234 9.427 -5.704 1280 H152 OLA1001 H152 OLA1001 -4.348 9.050 -3.983 1281 H161 OLA1001 H161 OLA1001 -2.675 10.853 -3.554 1282 H162 OLA1001 H162 OLA1001 -2.487 11.008 -5.307 1283 H171 OLA1001 H171 OLA1001 -1.652 8.795 -5.502 1284 H172 OLA1001 H172 OLA1001 -2.064 8.430 -3.826 1285 H181 OLA1001 H181 OLA1001 0.109 10.228 -4.858 1286 H182 OLA1001 H182 OLA1001 0.260 8.771 -3.859 1287 H183 OLA1001 H183 OLA1001 -0.445 10.243 -3.170 Start of MODEL 12 1 H1 MET -11 H1 MET -11 14.234 -30.134 -10.575 2 H2 MET -11 H2 MET -11 15.286 -31.365 -11.053 3 H3 MET -11 H3 MET -11 13.675 -31.728 -10.695 4 HA MET -11 HA MET -11 14.654 -30.083 -12.951 5 HB2 MET -11 HB3 MET -11 13.980 -31.855 -14.388 6 HB3 MET -11 HB2 MET -11 14.943 -32.588 -13.119 7 HG2 MET -11 HG3 MET -11 11.934 -32.568 -13.221 8 HG3 MET -11 HG2 MET -11 12.963 -33.911 -13.712 9 HE1 MET -11 HE1 MET -11 11.463 -35.440 -12.073 10 HE2 MET -11 HE2 MET -11 10.539 -34.030 -11.553 11 HE3 MET -11 HE3 MET -11 11.258 -35.105 -10.354 12 H ARG -10 H ARG -10 12.053 -30.895 -10.835 13 HA ARG -10 HA ARG -10 10.370 -28.919 -12.081 14 HB2 ARG -10 HB3 ARG -10 9.910 -31.065 -13.334 15 HB3 ARG -10 HB2 ARG -10 9.335 -31.747 -11.819 16 HG2 ARG -10 HG3 ARG -10 7.463 -31.021 -13.134 17 HG3 ARG -10 HG2 ARG -10 7.615 -29.983 -11.715 18 HD2 ARG -10 HD3 ARG -10 7.132 -28.678 -13.723 19 HD3 ARG -10 HD2 ARG -10 8.718 -28.280 -13.068 20 HE ARG -10 HE ARG -10 8.773 -30.300 -15.121 21 HH11 ARG -10 HH11 ARG -10 8.795 -26.860 -14.482 22 HH12 ARG -10 HH12 ARG -10 9.599 -26.460 -15.964 23 HH21 ARG -10 HH21 ARG -10 9.831 -29.780 -17.073 24 HH22 ARG -10 HH22 ARG -10 10.172 -28.121 -17.450 25 H GLY -9 H GLY -9 10.458 -27.824 -10.147 26 HA2 GLY -9 HA3 GLY -9 9.115 -27.372 -8.203 27 HA3 GLY -9 HA2 GLY -9 9.016 -29.103 -7.917 28 H SER -8 H SER -8 12.109 -28.341 -8.856 29 HA SER -8 HA SER -8 13.214 -28.950 -6.326 30 HB2 SER -8 HB3 SER -8 14.606 -27.669 -8.687 31 HB3 SER -8 HB2 SER -8 15.357 -28.591 -7.383 32 HG SER -8 HG SER -8 14.852 -30.374 -8.371 33 H HIS -7 H HIS -7 14.169 -27.670 -4.797 34 HA HIS -7 HA HIS -7 14.506 -25.862 -3.484 35 HB2 HIS -7 HB3 HIS -7 14.910 -24.595 -6.184 36 HB3 HIS -7 HB2 HIS -7 15.080 -23.677 -4.691 37 HD1 HIS -7 HD1 HIS -7 17.083 -24.288 -3.144 38 HD2 HIS -7 HD2 HIS -7 16.984 -26.361 -6.748 39 HE1 HIS -7 HE1 HIS -7 19.349 -25.352 -3.374 40 HE2 HIS -7 HE2 HIS -7 19.216 -26.716 -5.488 41 H HIS -6 H HIS -6 11.801 -26.561 -4.426 42 HA HIS -6 HA HIS -6 10.498 -23.980 -3.873 43 HB2 HIS -6 HB3 HIS -6 9.523 -26.457 -5.271 44 HB3 HIS -6 HB2 HIS -6 8.391 -25.289 -4.599 45 HD1 HIS -6 HD1 HIS -6 11.353 -25.267 -7.014 46 HD2 HIS -6 HD2 HIS -6 7.730 -23.345 -6.331 47 HE1 HIS -6 HE1 HIS -6 11.047 -23.690 -8.944 48 HE2 HIS -6 HE2 HIS -6 8.758 -22.695 -8.608 49 H HIS -5 H HIS -5 10.957 -27.253 -2.870 50 HA HIS -5 HA HIS -5 10.638 -28.348 -0.931 51 HB2 HIS -5 HB3 HIS -5 10.095 -25.611 0.205 52 HB3 HIS -5 HB2 HIS -5 10.344 -27.076 1.145 53 HD1 HIS -5 HD1 HIS -5 12.772 -28.063 1.197 54 HD2 HIS -5 HD2 HIS -5 12.403 -24.428 -0.795 55 HE1 HIS -5 HE1 HIS -5 15.118 -27.202 0.912 56 HE2 HIS -5 HE2 HIS -5 14.877 -25.046 -0.367 57 H HIS -4 H HIS -4 8.202 -25.827 -0.381 58 HA HIS -4 HA HIS -4 6.217 -27.900 0.070 59 HB2 HIS -4 HB3 HIS -4 6.212 -24.905 0.410 60 HB3 HIS -4 HB2 HIS -4 4.738 -25.850 0.547 61 HD1 HIS -4 HD1 HIS -4 4.193 -26.550 2.845 62 HD2 HIS -4 HD2 HIS -4 8.275 -25.932 2.347 63 HE1 HIS -4 HE1 HIS -4 5.207 -26.878 5.117 64 HE2 HIS -4 HE2 HIS -4 7.688 -26.618 4.771 65 H HIS -3 H HIS -3 5.265 -28.742 -1.687 66 HA HIS -3 HA HIS -3 4.813 -27.309 -4.105 67 HB2 HIS -3 HB3 HIS -3 3.740 -29.894 -3.001 68 HB3 HIS -3 HB2 HIS -3 3.103 -29.217 -4.495 69 HD1 HIS -3 HD1 HIS -3 4.226 -30.038 -6.525 70 HD2 HIS -3 HD2 HIS -3 6.730 -30.203 -3.213 71 HE1 HIS -3 HE1 HIS -3 6.359 -31.085 -7.345 72 HE2 HIS -3 HE2 HIS -3 7.801 -31.311 -5.293 73 H HIS -2 H HIS -2 3.407 -25.718 -4.389 74 HA HIS -2 HA HIS -2 1.014 -25.629 -2.692 75 HB2 HIS -2 HB3 HIS -2 1.453 -23.279 -2.133 76 HB3 HIS -2 HB2 HIS -2 2.754 -24.315 -1.561 77 HD1 HIS -2 HD1 HIS -2 5.068 -24.087 -2.756 78 HD2 HIS -2 HD2 HIS -2 2.177 -21.401 -4.067 79 HE1 HIS -2 HE1 HIS -2 6.310 -22.337 -4.067 80 HE2 HIS -2 HE2 HIS -2 4.563 -20.637 -4.705 81 H GLY -1 H GLY -1 -0.754 -24.694 -3.592 82 HA2 GLY -1 HA3 GLY -1 -0.645 -23.929 -6.390 83 HA3 GLY -1 HA2 GLY -1 -2.086 -24.005 -5.378 84 H SER 0 H SER 0 -0.890 -22.461 -3.253 85 HA SER 0 HA SER 0 -0.282 -19.874 -4.496 86 HB2 SER 0 HB3 SER 0 -2.142 -20.197 -2.125 87 HB3 SER 0 HB2 SER 0 -1.705 -18.692 -2.936 88 HG SER 0 HG SER 0 -3.383 -20.775 -3.816 89 H LYS 1 H LYS 1 1.319 -18.777 -3.450 90 HA LYS 1 HA LYS 1 2.632 -20.091 -1.254 91 HB2 LYS 1 HB3 LYS 1 4.386 -18.587 -1.561 92 HB3 LYS 1 HB2 LYS 1 3.765 -18.877 -3.179 93 HG2 LYS 1 HG3 LYS 1 2.476 -16.799 -3.024 94 HG3 LYS 1 HG2 LYS 1 3.193 -16.530 -1.441 95 HD2 LYS 1 HD3 LYS 1 4.745 -16.791 -4.009 96 HD3 LYS 1 HD2 LYS 1 4.294 -15.257 -3.276 97 HE2 LYS 1 HE3 LYS 1 6.484 -15.560 -2.566 98 HE3 LYS 1 HE2 LYS 1 5.538 -16.136 -1.197 99 HZ1 LYS 1 HZ1 LYS 1 7.487 -17.546 -1.961 100 HZ2 LYS 1 HZ2 LYS 1 6.526 -17.989 -3.279 101 HZ3 LYS 1 HZ3 LYS 1 6.023 -18.348 -1.704 102 H THR 2 H THR 2 2.442 -19.617 0.844 103 HA THR 2 HA THR 2 0.230 -17.938 1.569 104 HB THR 2 HB THR 2 2.127 -19.150 3.556 105 HG1 THR 2 HG1 THR 2 -0.014 -20.494 2.184 106 HG21 THR 2 HG21 THR 2 -0.857 -18.699 3.507 107 HG22 THR 2 HG22 THR 2 0.325 -17.712 4.370 108 HG23 THR 2 HG23 THR 2 0.054 -19.386 4.854 109 H LEU 3 H LEU 3 0.274 -15.954 2.427 110 HA LEU 3 HA LEU 3 2.456 -14.257 2.031 111 HB2 LEU 3 HB3 LEU 3 -0.216 -13.990 2.768 112 HB3 LEU 3 HB2 LEU 3 0.675 -13.341 4.127 113 HG LEU 3 HG LEU 3 0.517 -12.328 1.319 114 HD11 LEU 3 HD11 LEU 3 0.209 -10.209 2.515 115 HD12 LEU 3 HD12 LEU 3 0.347 -11.077 4.040 116 HD13 LEU 3 HD13 LEU 3 -0.997 -11.421 2.949 117 HD21 LEU 3 HD21 LEU 3 2.370 -10.753 1.920 118 HD22 LEU 3 HD22 LEU 3 2.863 -12.410 1.586 119 HD23 LEU 3 HD23 LEU 3 2.762 -11.840 3.253 120 HA PRO 4 HA PRO 4 4.942 -15.322 5.658 121 HB2 PRO 4 HB3 PRO 4 6.282 -12.809 4.828 122 HB3 PRO 4 HB2 PRO 4 6.978 -14.404 5.132 123 HG2 PRO 4 HG3 PRO 4 6.711 -13.445 2.645 124 HG3 PRO 4 HG2 PRO 4 6.494 -15.168 3.004 125 HD2 PRO 4 HD3 PRO 4 4.440 -13.067 2.467 126 HD3 PRO 4 HD2 PRO 4 4.450 -14.786 2.016 127 H ASP 5 H ASP 5 4.543 -14.712 7.686 128 HA ASP 5 HA ASP 5 2.606 -12.794 8.277 129 HB2 ASP 5 HB3 ASP 5 4.569 -14.253 10.027 130 HB3 ASP 5 HB2 ASP 5 3.364 -13.151 10.681 131 H LYS 6 H LYS 6 6.021 -12.423 7.925 132 HA LYS 6 HA LYS 6 6.271 -10.039 9.437 133 HB2 LYS 6 HB3 LYS 6 7.948 -11.211 7.229 134 HB3 LYS 6 HB2 LYS 6 8.367 -9.714 8.053 135 HG2 LYS 6 HG3 LYS 6 8.395 -10.937 10.193 136 HG3 LYS 6 HG2 LYS 6 8.071 -12.430 9.318 137 HD2 LYS 6 HD3 LYS 6 10.466 -10.652 8.899 138 HD3 LYS 6 HD2 LYS 6 10.459 -12.136 9.851 139 HE2 LYS 6 HE3 LYS 6 9.772 -13.373 7.814 140 HE3 LYS 6 HE2 LYS 6 9.929 -11.877 6.894 141 HZ1 LYS 6 HZ1 LYS 6 12.101 -13.278 8.349 142 HZ2 LYS 6 HZ2 LYS 6 12.272 -11.797 7.557 143 HZ3 LYS 6 HZ3 LYS 6 11.911 -13.191 6.674 144 H PHE 7 H PHE 7 4.632 -10.588 6.515 145 HA PHE 7 HA PHE 7 4.890 -7.795 5.693 146 HB2 PHE 7 HB3 PHE 7 3.513 -10.203 4.531 147 HB3 PHE 7 HB2 PHE 7 3.047 -8.588 4.020 148 HD1 PHE 7 HD1 PHE 7 5.101 -7.058 3.322 149 HD2 PHE 7 HD2 PHE 7 5.082 -11.313 3.284 150 HE1 PHE 7 HE1 PHE 7 6.904 -7.050 1.648 151 HE2 PHE 7 HE2 PHE 7 6.892 -11.312 1.622 152 HZ PHE 7 HZ PHE 7 7.805 -9.178 0.799 153 H LEU 8 H LEU 8 3.271 -9.484 7.997 154 HA LEU 8 HA LEU 8 0.690 -8.185 7.566 155 HB2 LEU 8 HB3 LEU 8 1.451 -10.480 9.366 156 HB3 LEU 8 HB2 LEU 8 -0.165 -9.834 9.175 157 HG LEU 8 HG LEU 8 1.445 -11.131 6.978 158 HD11 LEU 8 HD11 LEU 8 0.721 -12.676 8.776 159 HD12 LEU 8 HD12 LEU 8 -0.007 -13.014 7.206 160 HD13 LEU 8 HD13 LEU 8 -0.948 -12.200 8.456 161 HD21 LEU 8 HD21 LEU 8 -0.776 -11.125 5.817 162 HD22 LEU 8 HD22 LEU 8 -0.039 -9.539 6.030 163 HD23 LEU 8 HD23 LEU 8 -1.361 -10.043 7.083 164 H GLY 9 H GLY 9 -0.421 -7.311 9.331 165 HA2 GLY 9 HA3 GLY 9 -0.169 -6.728 11.803 166 HA3 GLY 9 HA2 GLY 9 1.375 -6.046 11.305 167 H THR 10 H THR 10 0.840 -3.948 11.917 168 HA THR 10 HA THR 10 -0.695 -2.547 9.906 169 HB THR 10 HB THR 10 -2.349 -3.159 11.676 170 HG1 THR 10 HG1 THR 10 -1.904 -0.755 10.575 171 HG21 THR 10 HG21 THR 10 -1.084 -3.103 13.650 172 HG22 THR 10 HG22 THR 10 -2.233 -1.769 13.767 173 HG23 THR 10 HG23 THR 10 -0.553 -1.455 13.331 174 H PHE 11 H PHE 11 -0.028 -0.480 9.634 175 HA PHE 11 HA PHE 11 2.095 0.478 11.421 176 HB2 PHE 11 HB3 PHE 11 2.155 0.533 8.398 177 HB3 PHE 11 HB2 PHE 11 3.402 1.167 9.462 178 HD1 PHE 11 HD1 PHE 11 5.058 -0.254 10.392 179 HD2 PHE 11 HD2 PHE 11 1.768 -1.918 8.270 180 HE1 PHE 11 HE1 PHE 11 6.189 -2.439 10.363 181 HE2 PHE 11 HE2 PHE 11 2.893 -4.106 8.236 182 HZ PHE 11 HZ PHE 11 5.105 -4.369 9.290 183 H LYS 12 H LYS 12 1.929 2.544 12.062 184 HA LYS 12 HA LYS 12 0.152 4.424 10.791 185 HB2 LYS 12 HB3 LYS 12 2.523 5.087 12.537 186 HB3 LYS 12 HB2 LYS 12 1.051 6.016 12.310 187 HG2 LYS 12 HG3 LYS 12 -0.218 4.365 13.504 188 HG3 LYS 12 HG2 LYS 12 1.220 3.368 13.702 189 HD2 LYS 12 HD3 LYS 12 0.827 6.150 14.802 190 HD3 LYS 12 HD2 LYS 12 0.736 4.652 15.729 191 HE2 LYS 12 HE3 LYS 12 3.085 4.184 15.150 192 HE3 LYS 12 HE2 LYS 12 3.161 5.719 14.289 193 HZ1 LYS 12 HZ1 LYS 12 2.704 5.342 17.196 194 HZ2 LYS 12 HZ2 LYS 12 2.619 6.832 16.405 195 HZ3 LYS 12 HZ3 LYS 12 4.083 5.989 16.460 196 H LEU 13 H LEU 13 1.971 6.680 10.702 197 HA LEU 13 HA LEU 13 3.716 5.966 8.458 198 HB2 LEU 13 HB3 LEU 13 1.356 6.807 7.757 199 HB3 LEU 13 HB2 LEU 13 1.919 8.373 8.298 200 HG LEU 13 HG LEU 13 3.206 6.734 6.105 201 HD11 LEU 13 HD11 LEU 13 1.380 9.122 6.008 202 HD12 LEU 13 HD12 LEU 13 1.058 7.501 5.395 203 HD13 LEU 13 HD13 LEU 13 2.294 8.500 4.636 204 HD21 LEU 13 HD21 LEU 13 4.461 8.759 5.606 205 HD22 LEU 13 HD22 LEU 13 4.797 8.204 7.245 206 HD23 LEU 13 HD23 LEU 13 3.718 9.576 6.981 207 H GLU 14 H GLU 14 5.653 6.580 9.225 208 HA GLU 14 HA GLU 14 5.850 8.781 11.075 209 HB2 GLU 14 HB3 GLU 14 7.161 6.643 11.282 210 HB3 GLU 14 HB2 GLU 14 8.089 7.151 9.879 211 HG2 GLU 14 HG3 GLU 14 8.892 9.090 11.062 212 HG3 GLU 14 HG2 GLU 14 7.882 8.696 12.452 213 H ARG 15 H ARG 15 7.060 8.059 7.783 214 HA ARG 15 HA ARG 15 7.030 10.839 7.099 215 HB2 ARG 15 HB3 ARG 15 9.407 11.125 6.736 216 HB3 ARG 15 HB2 ARG 15 9.120 10.705 8.419 217 HG2 ARG 15 HG3 ARG 15 9.878 8.490 8.093 218 HG3 ARG 15 HG2 ARG 15 9.880 8.677 6.339 219 HD2 ARG 15 HD3 ARG 15 11.683 10.054 8.311 220 HD3 ARG 15 HD2 ARG 15 12.134 8.800 7.158 221 HE ARG 15 HE ARG 15 11.165 11.455 6.314 222 HH11 ARG 15 HH11 ARG 15 13.521 8.869 6.099 223 HH12 ARG 15 HH12 ARG 15 14.320 9.552 4.721 224 HH21 ARG 15 HH21 ARG 15 12.216 12.351 4.517 225 HH22 ARG 15 HH22 ARG 15 13.589 11.542 3.819 226 H ASP 16 H ASP 16 8.533 11.021 4.972 227 HA ASP 16 HA ASP 16 8.538 8.676 3.317 228 HB2 ASP 16 HB3 ASP 16 7.101 9.534 1.543 229 HB3 ASP 16 HB2 ASP 16 6.191 9.395 3.039 230 H GLU 17 H GLU 17 9.266 9.372 1.007 231 HA GLU 17 HA GLU 17 10.987 11.728 1.118 232 HB2 GLU 17 HB3 GLU 17 12.228 9.697 1.965 233 HB3 GLU 17 HB2 GLU 17 12.043 9.006 0.359 234 HG2 GLU 17 HG3 GLU 17 14.213 9.980 0.558 235 HG3 GLU 17 HG2 GLU 17 13.256 10.935 -0.575 236 H ASN 18 H ASN 18 10.426 12.838 -0.635 237 HA ASN 18 HA ASN 18 10.306 13.428 -2.836 238 HB2 ASN 18 HB3 ASN 18 12.134 11.590 -3.041 239 HB3 ASN 18 HB2 ASN 18 10.840 10.596 -3.701 240 HD21 ASN 18 HD21 ASN 18 11.649 10.452 -5.743 241 HD22 ASN 18 HD22 ASN 18 11.780 11.806 -6.815 242 H PHE 19 H PHE 19 8.120 12.255 -1.247 243 HA PHE 19 HA PHE 19 6.505 10.648 -2.985 244 HB2 PHE 19 HB3 PHE 19 6.406 10.504 -0.501 245 HB3 PHE 19 HB2 PHE 19 5.676 12.106 -0.468 246 HD1 PHE 19 HD1 PHE 19 5.183 8.668 -1.768 247 HD2 PHE 19 HD2 PHE 19 3.377 12.356 -0.666 248 HE1 PHE 19 HE1 PHE 19 2.957 7.652 -2.026 249 HE2 PHE 19 HE2 PHE 19 1.149 11.350 -0.921 250 HZ PHE 19 HZ PHE 19 0.935 8.993 -1.606 251 H ASP 20 H ASP 20 6.559 14.061 -2.066 252 HA ASP 20 HA ASP 20 4.233 14.902 -3.343 253 HB2 ASP 20 HB3 ASP 20 5.631 16.283 -1.816 254 HB3 ASP 20 HB2 ASP 20 6.821 16.446 -3.103 255 H GLU 21 H GLU 21 7.552 14.770 -4.630 256 HA GLU 21 HA GLU 21 7.033 15.602 -7.225 257 HB2 GLU 21 HB3 GLU 21 9.071 13.652 -6.186 258 HB3 GLU 21 HB2 GLU 21 9.021 14.179 -7.863 259 HG2 GLU 21 HG3 GLU 21 9.372 15.961 -5.476 260 HG3 GLU 21 HG2 GLU 21 10.648 15.425 -6.559 261 H TYR 22 H TYR 22 6.779 12.367 -5.814 262 HA TYR 22 HA TYR 22 6.116 10.943 -8.118 263 HB2 TYR 22 HB3 TYR 22 6.584 9.842 -5.996 264 HB3 TYR 22 HB2 TYR 22 5.137 10.542 -5.283 265 HD1 TYR 22 HD1 TYR 22 3.015 9.520 -5.570 266 HD2 TYR 22 HD2 TYR 22 6.355 8.123 -7.802 267 HE1 TYR 22 HE1 TYR 22 1.711 7.563 -6.288 268 HE2 TYR 22 HE2 TYR 22 5.060 6.163 -8.526 269 HH TYR 22 HH TYR 22 3.162 4.889 -7.938 270 H LEU 23 H LEU 23 4.096 12.942 -6.024 271 HA LEU 23 HA LEU 23 1.600 12.189 -7.140 272 HB2 LEU 23 HB3 LEU 23 2.426 14.724 -5.729 273 HB3 LEU 23 HB2 LEU 23 0.770 14.285 -6.109 274 HG LEU 23 HG LEU 23 2.608 12.753 -4.274 275 HD11 LEU 23 HD11 LEU 23 1.110 13.528 -2.509 276 HD12 LEU 23 HD12 LEU 23 0.219 14.491 -3.686 277 HD13 LEU 23 HD13 LEU 23 1.901 14.878 -3.322 278 HD21 LEU 23 HD21 LEU 23 0.589 11.470 -3.733 279 HD22 LEU 23 HD22 LEU 23 1.056 11.288 -5.423 280 HD23 LEU 23 HD23 LEU 23 -0.290 12.342 -4.990 281 H LYS 24 H LYS 24 3.920 14.727 -7.878 282 HA LYS 24 HA LYS 24 2.410 16.103 -9.825 283 HB2 LYS 24 HB3 LYS 24 5.401 15.765 -9.498 284 HB3 LYS 24 HB2 LYS 24 4.657 16.880 -10.635 285 HG2 LYS 24 HG3 LYS 24 3.774 18.214 -8.909 286 HG3 LYS 24 HG2 LYS 24 4.091 16.981 -7.690 287 HD2 LYS 24 HD3 LYS 24 5.690 18.850 -7.582 288 HD3 LYS 24 HD2 LYS 24 6.475 17.312 -7.925 289 HE2 LYS 24 HE3 LYS 24 6.560 17.892 -10.303 290 HE3 LYS 24 HE2 LYS 24 5.783 19.436 -9.950 291 HZ1 LYS 24 HZ1 LYS 24 7.657 20.096 -8.650 292 HZ2 LYS 24 HZ2 LYS 24 8.230 19.573 -10.155 293 HZ3 LYS 24 HZ3 LYS 24 8.380 18.572 -8.795 294 H ALA 25 H ALA 25 4.748 13.482 -10.040 295 HA ALA 25 HA ALA 25 4.658 13.022 -12.794 296 HB1 ALA 25 HB1 ALA 25 5.541 10.819 -12.300 297 HB2 ALA 25 HB2 ALA 25 5.051 10.981 -10.613 298 HB3 ALA 25 HB3 ALA 25 6.311 12.026 -11.269 299 H ARG 26 H ARG 26 2.620 11.809 -10.192 300 HA ARG 26 HA ARG 26 1.128 9.965 -11.740 301 HB2 ARG 26 HB3 ARG 26 0.565 11.339 -9.121 302 HB3 ARG 26 HB2 ARG 26 -0.563 10.200 -9.842 303 HG2 ARG 26 HG3 ARG 26 2.293 9.553 -9.153 304 HG3 ARG 26 HG2 ARG 26 0.911 9.219 -8.109 305 HD2 ARG 26 HD3 ARG 26 1.261 8.149 -10.909 306 HD3 ARG 26 HD2 ARG 26 1.638 7.260 -9.437 307 HE ARG 26 HE ARG 26 -0.749 7.370 -8.874 308 HH11 ARG 26 HH11 ARG 26 0.178 7.999 -12.200 309 HH12 ARG 26 HH12 ARG 26 -1.364 7.546 -12.857 310 HH21 ARG 26 HH21 ARG 26 -2.765 6.753 -9.735 311 HH22 ARG 26 HH22 ARG 26 -3.029 6.817 -11.459 312 H GLY 27 H GLY 27 1.065 13.358 -11.651 313 HA2 GLY 27 HA3 GLY 27 -0.146 14.641 -13.217 314 HA3 GLY 27 HA2 GLY 27 -1.306 13.329 -13.359 315 H TYR 28 H TYR 28 -0.405 14.192 -10.166 316 HA TYR 28 HA TYR 28 -3.064 15.253 -9.689 317 HB2 TYR 28 HB3 TYR 28 -0.783 14.483 -7.879 318 HB3 TYR 28 HB2 TYR 28 -2.206 15.327 -7.276 319 HD1 TYR 28 HD1 TYR 28 -0.770 12.226 -7.516 320 HD2 TYR 28 HD2 TYR 28 -4.496 14.148 -8.241 321 HE1 TYR 28 HE1 TYR 28 -1.915 10.064 -7.306 322 HE2 TYR 28 HE2 TYR 28 -5.659 11.990 -8.037 323 HH TYR 28 HH TYR 28 -3.993 9.108 -6.940 324 H GLY 29 H GLY 29 -3.540 17.321 -9.541 325 HA2 GLY 29 HA3 GLY 29 -1.570 19.324 -10.019 326 HA3 GLY 29 HA2 GLY 29 -3.268 19.598 -9.661 327 H TRP 30 H TRP 30 -1.660 21.365 -8.631 328 HA TRP 30 HA TRP 30 -0.225 20.911 -6.330 329 HB2 TRP 30 HB3 TRP 30 -0.177 23.035 -7.480 330 HB3 TRP 30 HB2 TRP 30 -1.877 23.316 -7.123 331 HD1 TRP 30 HD1 TRP 30 1.569 23.309 -5.420 332 HE1 TRP 30 HE1 TRP 30 1.394 24.679 -3.245 333 HE3 TRP 30 HE3 TRP 30 -3.470 24.105 -5.380 334 HZ2 TRP 30 HZ2 TRP 30 -0.631 25.932 -1.715 335 HZ3 TRP 30 HZ3 TRP 30 -4.452 25.395 -3.534 336 HH2 TRP 30 HH2 TRP 30 -3.063 26.285 -1.744 337 H ILE 31 H ILE 31 -3.683 21.744 -6.557 338 HA ILE 31 HA ILE 31 -4.253 21.848 -3.853 339 HB ILE 31 HB ILE 31 -5.835 21.491 -6.312 340 HG12 ILE 31 HG13 ILE 31 -5.350 23.676 -5.257 341 HG13 ILE 31 HG12 ILE 31 -7.078 23.350 -5.377 342 HG21 ILE 31 HG21 ILE 31 -6.953 20.699 -3.632 343 HG22 ILE 31 HG22 ILE 31 -6.800 19.676 -5.062 344 HG23 ILE 31 HG23 ILE 31 -7.926 21.038 -5.065 345 HD11 ILE 31 HD11 ILE 31 -7.104 22.691 -3.031 346 HD12 ILE 31 HD12 ILE 31 -6.508 24.338 -3.236 347 HD13 ILE 31 HD13 ILE 31 -5.379 23.020 -2.923 348 H MET 32 H MET 32 -4.683 19.053 -6.015 349 HA MET 32 HA MET 32 -5.508 17.254 -4.081 350 HB2 MET 32 HB3 MET 32 -4.084 16.882 -6.691 351 HB3 MET 32 HB2 MET 32 -4.401 15.506 -5.643 352 HG2 MET 32 HG3 MET 32 -6.378 17.323 -6.952 353 HG3 MET 32 HG2 MET 32 -6.166 15.603 -7.200 354 HE1 MET 32 HE1 MET 32 -6.459 13.869 -4.986 355 HE2 MET 32 HE2 MET 32 -7.187 14.428 -3.473 356 HE3 MET 32 HE3 MET 32 -5.608 15.039 -3.975 357 H ARG 33 H ARG 33 -2.231 18.125 -5.078 358 HA ARG 33 HA ARG 33 -0.946 16.183 -3.487 359 HB2 ARG 33 HB3 ARG 33 0.112 18.866 -4.391 360 HB3 ARG 33 HB2 ARG 33 1.080 17.536 -3.766 361 HG2 ARG 33 HG3 ARG 33 0.171 16.151 -5.673 362 HG3 ARG 33 HG2 ARG 33 -0.454 17.656 -6.343 363 HD2 ARG 33 HD3 ARG 33 2.423 16.986 -5.765 364 HD3 ARG 33 HD2 ARG 33 1.672 17.140 -7.351 365 HE ARG 33 HE ARG 33 2.328 19.317 -5.506 366 HH11 ARG 33 HH11 ARG 33 1.048 18.290 -8.604 367 HH12 ARG 33 HH12 ARG 33 1.311 19.831 -9.357 368 HH21 ARG 33 HH21 ARG 33 2.668 21.333 -6.495 369 HH22 ARG 33 HH22 ARG 33 2.212 21.566 -8.153 370 H GLN 34 H GLN 34 -2.265 19.341 -2.763 371 HA GLN 34 HA GLN 34 -0.950 19.669 -0.257 372 HB2 GLN 34 HB3 GLN 34 -3.606 20.807 -1.155 373 HB3 GLN 34 HB2 GLN 34 -2.678 21.346 0.237 374 HG2 GLN 34 HG3 GLN 34 -1.975 21.623 -2.669 375 HG3 GLN 34 HG2 GLN 34 -2.324 22.903 -1.509 376 HE21 GLN 34 HE21 GLN 34 0.037 20.697 -2.717 377 HE22 GLN 34 HE22 GLN 34 1.389 21.336 -1.848 378 H VAL 35 H VAL 35 -3.699 17.871 -1.335 379 HA VAL 35 HA VAL 35 -4.596 17.194 1.326 380 HB VAL 35 HB VAL 35 -5.344 16.151 -1.412 381 HG11 VAL 35 HG11 VAL 35 -6.743 15.597 1.196 382 HG12 VAL 35 HG12 VAL 35 -5.689 14.459 0.360 383 HG13 VAL 35 HG13 VAL 35 -7.186 14.995 -0.402 384 HG21 VAL 35 HG21 VAL 35 -6.817 17.988 0.468 385 HG22 VAL 35 HG22 VAL 35 -7.407 17.409 -1.092 386 HG23 VAL 35 HG23 VAL 35 -5.997 18.464 -1.018 387 H ILE 36 H ILE 36 -3.489 15.294 -1.444 388 HA ILE 36 HA ILE 36 -3.256 12.846 -0.337 389 HB ILE 36 HB ILE 36 -1.425 13.943 -2.438 390 HG12 ILE 36 HG13 ILE 36 -4.131 12.608 -2.700 391 HG13 ILE 36 HG12 ILE 36 -3.889 14.346 -2.801 392 HG21 ILE 36 HG21 ILE 36 -1.458 11.583 -3.180 393 HG22 ILE 36 HG22 ILE 36 -2.372 11.179 -1.721 394 HG23 ILE 36 HG23 ILE 36 -0.723 11.803 -1.591 395 HD11 ILE 36 HD11 ILE 36 -2.801 12.266 -4.674 396 HD12 ILE 36 HD12 ILE 36 -2.436 13.992 -4.755 397 HD13 ILE 36 HD13 ILE 36 -4.092 13.430 -4.999 398 H LYS 37 H LYS 37 -0.443 15.127 -0.478 399 HA LYS 37 HA LYS 37 1.017 13.107 1.025 400 HB2 LYS 37 HB3 LYS 37 2.997 14.634 0.719 401 HB3 LYS 37 HB2 LYS 37 2.309 13.953 -0.742 402 HG2 LYS 37 HG3 LYS 37 2.850 16.188 -1.225 403 HG3 LYS 37 HG2 LYS 37 1.094 16.115 -1.067 404 HD2 LYS 37 HD3 LYS 37 1.210 17.075 1.145 405 HD3 LYS 37 HD2 LYS 37 2.972 17.000 1.127 406 HE2 LYS 37 HE3 LYS 37 1.351 18.598 -0.840 407 HE3 LYS 37 HE2 LYS 37 1.984 19.267 0.664 408 HZ1 LYS 37 HZ1 LYS 37 3.570 18.140 -1.587 409 HZ2 LYS 37 HZ2 LYS 37 4.224 18.660 -0.113 410 HZ3 LYS 37 HZ3 LYS 37 3.467 19.770 -1.134 411 H LEU 38 H LEU 38 -1.150 14.953 2.173 412 HA LEU 38 HA LEU 38 0.447 15.834 4.462 413 HB2 LEU 38 HB3 LEU 38 -0.456 17.725 3.275 414 HB3 LEU 38 HB2 LEU 38 -2.045 16.998 3.222 415 HG LEU 38 HG LEU 38 -1.704 18.917 4.837 416 HD11 LEU 38 HD11 LEU 38 -2.969 17.638 6.671 417 HD12 LEU 38 HD12 LEU 38 -2.833 16.254 5.572 418 HD13 LEU 38 HD13 LEU 38 -3.670 17.716 5.054 419 HD21 LEU 38 HD21 LEU 38 0.469 18.236 5.716 420 HD22 LEU 38 HD22 LEU 38 -0.259 16.783 6.403 421 HD23 LEU 38 HD23 LEU 38 -0.726 18.372 7.005 422 H ALA 39 H ALA 39 -2.577 14.413 3.331 423 HA ALA 39 HA ALA 39 -3.868 13.891 5.705 424 HB1 ALA 39 HB1 ALA 39 -5.062 12.154 4.491 425 HB2 ALA 39 HB2 ALA 39 -3.834 12.180 3.226 426 HB3 ALA 39 HB3 ALA 39 -4.858 13.590 3.490 427 H GLY 40 H GLY 40 -3.822 12.322 7.230 428 HA2 GLY 40 HA3 GLY 40 -1.449 10.718 7.485 429 HA3 GLY 40 HA2 GLY 40 -2.809 10.762 8.600 430 H VAL 41 H VAL 41 -1.241 8.521 7.336 431 HA VAL 41 HA VAL 41 -3.519 7.075 6.167 432 HB VAL 41 HB VAL 41 -0.648 6.749 5.293 433 HG11 VAL 41 HG11 VAL 41 -1.621 5.419 3.469 434 HG12 VAL 41 HG12 VAL 41 -3.211 5.598 4.212 435 HG13 VAL 41 HG13 VAL 41 -1.935 4.720 5.057 436 HG21 VAL 41 HG21 VAL 41 -1.293 7.849 3.217 437 HG22 VAL 41 HG22 VAL 41 -1.520 8.924 4.595 438 HG23 VAL 41 HG23 VAL 41 -2.911 8.130 3.859 439 H THR 42 H THR 42 -3.995 5.258 7.161 440 HA THR 42 HA THR 42 -1.958 3.950 8.849 441 HB THR 42 HB THR 42 -4.961 3.705 9.103 442 HG1 THR 42 HG1 THR 42 -4.003 5.869 9.534 443 HG21 THR 42 HG21 THR 42 -4.430 2.808 11.323 444 HG22 THR 42 HG22 THR 42 -2.708 2.968 10.971 445 HG23 THR 42 HG23 THR 42 -3.700 1.841 10.043 446 H LYS 43 H LYS 43 -1.181 2.149 7.906 447 HA LYS 43 HA LYS 43 -2.903 0.791 5.947 448 HB2 LYS 43 HB3 LYS 43 -0.748 1.838 5.171 449 HB3 LYS 43 HB2 LYS 43 0.108 0.665 6.159 450 HG2 LYS 43 HG3 LYS 43 -0.321 -1.049 4.748 451 HG3 LYS 43 HG2 LYS 43 -1.871 -0.382 4.233 452 HD2 LYS 43 HD3 LYS 43 0.814 0.741 3.434 453 HD3 LYS 43 HD2 LYS 43 -0.125 -0.387 2.453 454 HE2 LYS 43 HE3 LYS 43 -2.012 1.280 2.540 455 HE3 LYS 43 HE2 LYS 43 -0.875 2.418 3.259 456 HZ1 LYS 43 HZ1 LYS 43 0.484 2.292 1.294 457 HZ2 LYS 43 HZ2 LYS 43 -1.094 2.697 0.844 458 HZ3 LYS 43 HZ3 LYS 43 -0.523 1.115 0.615 459 H LYS 44 H LYS 44 -3.277 -1.399 6.083 460 HA LYS 44 HA LYS 44 -2.189 -2.784 8.450 461 HB2 LYS 44 HB3 LYS 44 -5.098 -2.831 7.640 462 HB3 LYS 44 HB2 LYS 44 -4.382 -3.580 9.056 463 HG2 LYS 44 HG3 LYS 44 -3.844 -1.354 9.946 464 HG3 LYS 44 HG2 LYS 44 -4.610 -0.624 8.535 465 HD2 LYS 44 HD3 LYS 44 -6.161 -0.607 10.380 466 HD3 LYS 44 HD2 LYS 44 -6.730 -1.745 9.156 467 HE2 LYS 44 HE3 LYS 44 -6.992 -2.717 11.350 468 HE3 LYS 44 HE2 LYS 44 -5.746 -3.591 10.463 469 HZ1 LYS 44 HZ1 LYS 44 -4.918 -3.260 12.624 470 HZ2 LYS 44 HZ2 LYS 44 -5.391 -1.641 12.656 471 HZ3 LYS 44 HZ3 LYS 44 -4.109 -2.122 11.667 472 H PHE 45 H PHE 45 -1.831 -4.935 8.214 473 HA PHE 45 HA PHE 45 -2.968 -6.344 5.884 474 HB2 PHE 45 HB3 PHE 45 -0.139 -6.453 6.921 475 HB3 PHE 45 HB2 PHE 45 -0.835 -7.780 6.011 476 HD1 PHE 45 HD1 PHE 45 0.002 -4.179 5.841 477 HD2 PHE 45 HD2 PHE 45 -0.878 -7.742 3.675 478 HE1 PHE 45 HE1 PHE 45 0.609 -3.051 3.745 479 HE2 PHE 45 HE2 PHE 45 -0.270 -6.614 1.577 480 HZ PHE 45 HZ PHE 45 0.581 -4.335 1.608 481 H ARG 46 H ARG 46 -4.065 -8.140 6.454 482 HA ARG 46 HA ARG 46 -3.271 -9.673 8.793 483 HB2 ARG 46 HB3 ARG 46 -5.614 -9.642 9.710 484 HB3 ARG 46 HB2 ARG 46 -4.735 -8.129 9.885 485 HG2 ARG 46 HG3 ARG 46 -5.933 -7.139 8.080 486 HG3 ARG 46 HG2 ARG 46 -6.674 -8.681 7.658 487 HD2 ARG 46 HD3 ARG 46 -8.194 -7.152 8.874 488 HD3 ARG 46 HD2 ARG 46 -7.950 -8.692 9.686 489 HE ARG 46 HE ARG 46 -6.295 -7.419 11.110 490 HH11 ARG 46 HH11 ARG 46 -8.979 -5.795 9.556 491 HH12 ARG 46 HH12 ARG 46 -9.176 -4.636 10.828 492 HH21 ARG 46 HH21 ARG 46 -6.547 -5.878 12.780 493 HH22 ARG 46 HH22 ARG 46 -7.797 -4.676 12.660 494 H ASN 47 H ASN 47 -4.789 -11.572 9.047 495 HA ASN 47 HA ASN 47 -5.140 -13.056 6.699 496 HB2 ASN 47 HB3 ASN 47 -6.453 -13.270 9.400 497 HB3 ASN 47 HB2 ASN 47 -6.830 -14.397 8.098 498 HD21 ASN 47 HD21 ASN 47 -5.236 -15.842 7.404 499 HD22 ASN 47 HD22 ASN 47 -3.836 -16.182 8.358 500 H ALA 48 H ALA 48 -7.320 -13.795 5.774 501 HA ALA 48 HA ALA 48 -8.598 -11.533 4.727 502 HB1 ALA 48 HB1 ALA 48 -10.151 -13.119 3.713 503 HB2 ALA 48 HB2 ALA 48 -9.522 -14.398 4.755 504 HB3 ALA 48 HB3 ALA 48 -8.478 -13.652 3.545 505 H ALA 49 H ALA 49 -10.874 -11.068 4.792 506 HA ALA 49 HA ALA 49 -11.756 -10.145 7.169 507 HB1 ALA 49 HB1 ALA 49 -12.645 -9.589 4.932 508 HB2 ALA 49 HB2 ALA 49 -13.897 -9.832 6.151 509 HB3 ALA 49 HB3 ALA 49 -13.560 -11.097 4.968 510 H SER 50 H SER 50 -13.197 -13.046 5.674 511 HA SER 50 HA SER 50 -14.537 -13.769 8.079 512 HB2 SER 50 HB3 SER 50 -15.352 -14.405 5.826 513 HB3 SER 50 HB2 SER 50 -13.956 -15.455 5.634 514 HG SER 50 HG SER 50 -16.123 -16.299 6.475 515 H GLY 51 H GLY 51 -11.532 -14.691 6.529 516 HA2 GLY 51 HA3 GLY 51 -9.651 -14.910 8.111 517 HA3 GLY 51 HA2 GLY 51 -10.720 -15.865 9.120 518 H LYS 52 H LYS 52 -10.543 -16.219 5.632 519 HA LYS 52 HA LYS 52 -9.847 -18.997 5.924 520 HB2 LYS 52 HB3 LYS 52 -10.497 -17.207 3.607 521 HB3 LYS 52 HB2 LYS 52 -9.729 -18.760 3.310 522 HG2 LYS 52 HG3 LYS 52 -12.117 -18.960 3.062 523 HG3 LYS 52 HG2 LYS 52 -11.583 -19.884 4.464 524 HD2 LYS 52 HD3 LYS 52 -12.291 -18.041 5.928 525 HD3 LYS 52 HD2 LYS 52 -12.847 -17.147 4.513 526 HE2 LYS 52 HE3 LYS 52 -14.702 -18.259 5.637 527 HE3 LYS 52 HE2 LYS 52 -14.455 -18.907 4.017 528 HZ1 LYS 52 HZ1 LYS 52 -14.848 -20.648 5.661 529 HZ2 LYS 52 HZ2 LYS 52 -13.482 -20.163 6.526 530 HZ3 LYS 52 HZ3 LYS 52 -13.315 -20.794 4.965 531 HA PRO 53 HA PRO 53 -5.440 -18.461 5.707 532 HB2 PRO 53 HB3 PRO 53 -4.823 -21.007 4.916 533 HB3 PRO 53 HB2 PRO 53 -5.203 -20.562 6.581 534 HG2 PRO 53 HG3 PRO 53 -6.947 -21.815 4.507 535 HG3 PRO 53 HG2 PRO 53 -6.832 -22.169 6.239 536 HD2 PRO 53 HD3 PRO 53 -8.832 -20.688 5.190 537 HD3 PRO 53 HD2 PRO 53 -8.187 -20.401 6.818 538 H ASP 54 H ASP 54 -3.760 -18.373 4.147 539 HA ASP 54 HA ASP 54 -2.847 -17.930 2.111 540 HB2 ASP 54 HB3 ASP 54 -4.776 -20.072 1.198 541 HB3 ASP 54 HB2 ASP 54 -3.514 -19.383 0.184 542 H ARG 55 H ARG 55 -5.541 -16.858 3.055 543 HA ARG 55 HA ARG 55 -5.901 -15.064 0.775 544 HB2 ARG 55 HB3 ARG 55 -8.130 -16.282 2.427 545 HB3 ARG 55 HB2 ARG 55 -8.343 -14.903 1.360 546 HG2 ARG 55 HG3 ARG 55 -7.667 -16.312 -0.545 547 HG3 ARG 55 HG2 ARG 55 -7.558 -17.693 0.550 548 HD2 ARG 55 HD3 ARG 55 -9.910 -17.472 1.099 549 HD3 ARG 55 HD2 ARG 55 -10.032 -16.038 0.083 550 HE ARG 55 HE ARG 55 -9.112 -18.349 -1.342 551 HH11 ARG 55 HH11 ARG 55 -11.930 -16.644 -0.171 552 HH12 ARG 55 HH12 ARG 55 -12.998 -17.328 -1.353 553 HH21 ARG 55 HH21 ARG 55 -10.514 -19.255 -2.915 554 HH22 ARG 55 HH22 ARG 55 -12.191 -18.810 -2.918 555 H TYR 56 H TYR 56 -5.802 -12.943 1.436 556 HA TYR 56 HA TYR 56 -5.866 -12.512 4.342 557 HB2 TYR 56 HB3 TYR 56 -3.756 -11.642 2.378 558 HB3 TYR 56 HB2 TYR 56 -3.916 -10.928 3.981 559 HD1 TYR 56 HD1 TYR 56 -3.084 -14.006 2.135 560 HD2 TYR 56 HD2 TYR 56 -3.269 -12.132 5.947 561 HE1 TYR 56 HE1 TYR 56 -1.775 -15.850 3.100 562 HE2 TYR 56 HE2 TYR 56 -1.955 -13.964 6.920 563 HH TYR 56 HH TYR 56 -0.219 -16.128 5.144 564 H ASP 57 H ASP 57 -5.772 -10.143 4.872 565 HA ASP 57 HA ASP 57 -7.495 -8.590 3.059 566 HB2 ASP 57 HB3 ASP 57 -8.864 -9.458 4.886 567 HB3 ASP 57 HB2 ASP 57 -7.711 -8.868 6.070 568 H MET 58 H MET 58 -7.035 -6.404 2.962 569 HA MET 58 HA MET 58 -4.976 -5.275 4.657 570 HB2 MET 58 HB3 MET 58 -3.661 -6.435 2.943 571 HB3 MET 58 HB2 MET 58 -4.575 -5.639 1.674 572 HG2 MET 58 HG3 MET 58 -3.035 -4.035 3.664 573 HG3 MET 58 HG2 MET 58 -2.215 -4.775 2.289 574 HE1 MET 58 HE1 MET 58 -2.398 -1.062 1.219 575 HE2 MET 58 HE2 MET 58 -1.365 -2.480 1.431 576 HE3 MET 58 HE3 MET 58 -2.113 -1.715 2.833 577 H GLU 59 H GLU 59 -4.903 -2.948 4.467 578 HA GLU 59 HA GLU 59 -6.820 -1.699 2.713 579 HB2 GLU 59 HB3 GLU 59 -8.126 -0.653 4.553 580 HB3 GLU 59 HB2 GLU 59 -8.347 -2.391 4.419 581 HG2 GLU 59 HG3 GLU 59 -6.666 -2.644 6.258 582 HG3 GLU 59 HG2 GLU 59 -6.737 -0.893 6.466 583 H ASN 60 H ASN 60 -6.813 0.611 2.783 584 HA ASN 60 HA ASN 60 -4.338 1.738 3.925 585 HB2 ASN 60 HB3 ASN 60 -5.549 2.774 1.360 586 HB3 ASN 60 HB2 ASN 60 -3.933 3.038 1.984 587 HD21 ASN 60 HD21 ASN 60 -2.982 2.468 0.043 588 HD22 ASN 60 HD22 ASN 60 -2.934 0.822 -0.513 589 H LEU 61 H LEU 61 -5.557 2.504 5.709 590 HA LEU 61 HA LEU 61 -7.946 4.050 5.270 591 HB2 LEU 61 HB3 LEU 61 -6.290 3.590 7.747 592 HB3 LEU 61 HB2 LEU 61 -7.810 4.455 7.724 593 HG LEU 61 HG LEU 61 -7.421 1.541 7.045 594 HD11 LEU 61 HD11 LEU 61 -8.741 2.873 9.404 595 HD12 LEU 61 HD12 LEU 61 -7.208 2.005 9.426 596 HD13 LEU 61 HD13 LEU 61 -8.705 1.139 9.083 597 HD21 LEU 61 HD21 LEU 61 -9.915 1.509 7.028 598 HD22 LEU 61 HD22 LEU 61 -9.192 2.406 5.695 599 HD23 LEU 61 HD23 LEU 61 -9.888 3.271 7.063 600 H THR 62 H THR 62 -8.146 6.218 5.144 601 HA THR 62 HA THR 62 -5.771 7.854 5.687 602 HB THR 62 HB THR 62 -5.873 9.048 3.636 603 HG1 THR 62 HG1 THR 62 -7.951 7.543 2.514 604 HG21 THR 62 HG21 THR 62 -5.604 7.269 1.902 605 HG22 THR 62 HG22 THR 62 -6.169 6.095 3.091 606 HG23 THR 62 HG23 THR 62 -4.674 6.986 3.373 607 H THR 63 H THR 63 -7.069 10.220 4.568 608 HA THR 63 HA THR 63 -9.095 10.615 6.654 609 HB THR 63 HB THR 63 -8.612 12.998 6.477 610 HG1 THR 63 HG1 THR 63 -6.982 13.713 5.026 611 HG21 THR 63 HG21 THR 63 -7.185 11.755 7.981 612 HG22 THR 63 HG22 THR 63 -6.211 12.973 7.152 613 HG23 THR 63 HG23 THR 63 -6.130 11.285 6.647 614 H LYS 64 H LYS 64 -8.550 10.566 3.243 615 HA LYS 64 HA LYS 64 -10.981 12.108 2.701 616 HB2 LYS 64 HB3 LYS 64 -8.522 11.480 1.099 617 HB3 LYS 64 HB2 LYS 64 -9.974 12.081 0.316 618 HG2 LYS 64 HG3 LYS 64 -8.519 13.489 2.545 619 HG3 LYS 64 HG2 LYS 64 -8.329 13.846 0.827 620 HD2 LYS 64 HD3 LYS 64 -10.743 14.367 0.704 621 HD3 LYS 64 HD2 LYS 64 -10.869 14.092 2.441 622 HE2 LYS 64 HE3 LYS 64 -9.126 16.172 1.121 623 HE3 LYS 64 HE2 LYS 64 -10.689 16.480 1.871 624 HZ1 LYS 64 HZ1 LYS 64 -8.918 17.035 3.376 625 HZ2 LYS 64 HZ2 LYS 64 -8.256 15.489 3.248 626 HZ3 LYS 64 HZ3 LYS 64 -9.762 15.704 3.982 627 H LYS 65 H LYS 65 -9.544 8.964 2.251 628 HA LYS 65 HA LYS 65 -12.018 7.780 1.451 629 HB2 LYS 65 HB3 LYS 65 -11.414 8.781 -0.692 630 HB3 LYS 65 HB2 LYS 65 -9.809 8.077 -0.597 631 HG2 LYS 65 HG3 LYS 65 -11.004 6.763 -2.128 632 HG3 LYS 65 HG2 LYS 65 -10.936 5.818 -0.641 633 HD2 LYS 65 HD3 LYS 65 -13.199 6.362 -0.111 634 HD3 LYS 65 HD2 LYS 65 -13.277 7.547 -1.418 635 HE2 LYS 65 HE3 LYS 65 -12.980 5.751 -3.057 636 HE3 LYS 65 HE2 LYS 65 -12.910 4.569 -1.751 637 HZ1 LYS 65 HZ1 LYS 65 -15.164 5.086 -1.164 638 HZ2 LYS 65 HZ2 LYS 65 -15.103 4.711 -2.812 639 HZ3 LYS 65 HZ3 LYS 65 -15.238 6.320 -2.320 640 H ASP 66 H ASP 66 -11.961 5.635 2.012 641 HA ASP 66 HA ASP 66 -9.295 4.595 2.717 642 HB2 ASP 66 HB3 ASP 66 -11.930 3.791 3.967 643 HB3 ASP 66 HB2 ASP 66 -10.325 3.301 4.478 644 H THR 67 H THR 67 -8.608 2.903 1.644 645 HA THR 67 HA THR 67 -10.424 1.404 -0.084 646 HB THR 67 HB THR 67 -8.227 0.118 -0.598 647 HG1 THR 67 HG1 THR 67 -6.447 0.879 0.266 648 HG21 THR 67 HG21 THR 67 -7.468 1.859 -2.172 649 HG22 THR 67 HG22 THR 67 -8.526 3.018 -1.372 650 HG23 THR 67 HG23 THR 67 -9.216 1.630 -2.208 651 H HIS 68 H HIS 68 -10.769 -0.845 0.133 652 HA HIS 68 HA HIS 68 -9.599 -2.097 2.502 653 HB2 HIS 68 HB3 HIS 68 -11.951 -1.286 3.013 654 HB3 HIS 68 HB2 HIS 68 -12.522 -2.444 1.817 655 HD1 HIS 68 HD1 HIS 68 -13.194 -2.557 4.917 656 HD2 HIS 68 HD2 HIS 68 -10.316 -4.815 2.949 657 HE1 HIS 68 HE1 HIS 68 -12.856 -4.618 6.325 658 HE2 HIS 68 HE2 HIS 68 -11.019 -5.910 5.172 659 H HIS 69 H HIS 69 -8.232 -3.195 1.138 660 HA HIS 69 HA HIS 69 -9.259 -4.873 -0.976 661 HB2 HIS 69 HB3 HIS 69 -6.537 -5.094 0.329 662 HB3 HIS 69 HB2 HIS 69 -6.998 -5.593 -1.289 663 HD1 HIS 69 HD1 HIS 69 -8.381 -2.770 -2.014 664 HD2 HIS 69 HD2 HIS 69 -4.565 -3.378 -0.481 665 HE1 HIS 69 HE1 HIS 69 -7.037 -0.753 -2.702 666 HE2 HIS 69 HE2 HIS 69 -4.673 -1.285 -1.983 667 H LYS 70 H LYS 70 -10.810 -6.074 0.185 668 HA LYS 70 HA LYS 70 -9.839 -7.727 2.366 669 HB2 LYS 70 HB3 LYS 70 -12.401 -8.220 2.439 670 HB3 LYS 70 HB2 LYS 70 -11.763 -6.702 3.057 671 HG2 LYS 70 HG3 LYS 70 -12.266 -5.732 0.757 672 HG3 LYS 70 HG2 LYS 70 -13.190 -7.198 0.474 673 HD2 LYS 70 HD3 LYS 70 -13.656 -5.091 2.559 674 HD3 LYS 70 HD2 LYS 70 -14.733 -5.574 1.244 675 HE2 LYS 70 HE3 LYS 70 -13.833 -7.488 3.318 676 HE3 LYS 70 HE2 LYS 70 -15.218 -6.441 3.617 677 HZ1 LYS 70 HZ1 LYS 70 -15.894 -8.607 2.773 678 HZ2 LYS 70 HZ2 LYS 70 -14.959 -8.388 1.382 679 HZ3 LYS 70 HZ3 LYS 70 -16.293 -7.390 1.669 680 H ASP 71 H ASP 71 -9.591 -9.803 2.265 681 HA ASP 71 HA ASP 71 -9.605 -11.978 1.611 682 HB2 ASP 71 HB3 ASP 71 -12.102 -11.100 0.159 683 HB3 ASP 71 HB2 ASP 71 -11.541 -12.767 0.190 684 H TRP 72 H TRP 72 -7.661 -10.885 0.440 685 HA TRP 72 HA TRP 72 -7.876 -11.640 -2.402 686 HB2 TRP 72 HB3 TRP 72 -5.972 -10.112 -2.824 687 HB3 TRP 72 HB2 TRP 72 -7.400 -9.268 -2.235 688 HD1 TRP 72 HD1 TRP 72 -7.205 -7.988 0.036 689 HE1 TRP 72 HE1 TRP 72 -5.251 -7.432 1.608 690 HE3 TRP 72 HE3 TRP 72 -3.650 -11.105 -1.922 691 HZ2 TRP 72 HZ2 TRP 72 -2.557 -8.220 1.949 692 HZ3 TRP 72 HZ3 TRP 72 -1.423 -11.104 -0.873 693 HH2 TRP 72 HH2 TRP 72 -0.897 -9.699 1.000 694 H ALA 73 H ALA 73 -6.029 -12.653 -3.327 695 HA ALA 73 HA ALA 73 -4.050 -13.656 -1.393 696 HB1 ALA 73 HB1 ALA 73 -5.331 -15.086 -3.720 697 HB2 ALA 73 HB2 ALA 73 -5.450 -15.501 -2.002 698 HB3 ALA 73 HB3 ALA 73 -3.914 -15.686 -2.854 699 H LEU 74 H LEU 74 -1.891 -13.818 -2.240 700 HA LEU 74 HA LEU 74 -1.224 -11.946 -4.204 701 HB2 LEU 74 HB3 LEU 74 1.039 -13.210 -4.236 702 HB3 LEU 74 HB2 LEU 74 0.564 -12.291 -2.833 703 HG LEU 74 HG LEU 74 1.689 -14.583 -2.504 704 HD11 LEU 74 HD11 LEU 74 -0.875 -13.945 -1.053 705 HD12 LEU 74 HD12 LEU 74 0.722 -13.303 -0.684 706 HD13 LEU 74 HD13 LEU 74 0.395 -15.024 -0.483 707 HD21 LEU 74 HD21 LEU 74 0.215 -16.499 -2.457 708 HD22 LEU 74 HD22 LEU 74 0.279 -15.812 -4.084 709 HD23 LEU 74 HD23 LEU 74 -1.119 -15.510 -3.051 710 H GLY 75 H GLY 75 -0.492 -12.169 -6.291 711 HA2 GLY 75 HA3 GLY 75 -0.553 -13.028 -8.449 712 HA3 GLY 75 HA2 GLY 75 -1.004 -14.590 -7.779 713 H GLU 76 H GLU 76 -2.997 -12.329 -6.431 714 HA GLU 76 HA GLU 76 -5.099 -12.910 -8.409 715 HB2 GLU 76 HB3 GLU 76 -5.301 -14.008 -6.169 716 HB3 GLU 76 HB2 GLU 76 -5.402 -12.415 -5.443 717 HG2 GLU 76 HG3 GLU 76 -7.466 -11.987 -6.659 718 HG3 GLU 76 HG2 GLU 76 -7.354 -13.582 -7.401 719 H GLU 77 H GLU 77 -6.831 -11.276 -8.527 720 HA GLU 77 HA GLU 77 -5.990 -8.543 -7.899 721 HB2 GLU 77 HB3 GLU 77 -6.322 -7.779 -10.180 722 HB3 GLU 77 HB2 GLU 77 -5.096 -9.040 -10.156 723 HG2 GLU 77 HG3 GLU 77 -7.257 -10.529 -10.605 724 HG3 GLU 77 HG2 GLU 77 -7.781 -9.027 -11.352 725 H PHE 78 H PHE 78 -7.750 -7.137 -7.744 726 HA PHE 78 HA PHE 78 -10.441 -8.240 -8.126 727 HB2 PHE 78 HB3 PHE 78 -10.948 -7.412 -5.750 728 HB3 PHE 78 HB2 PHE 78 -10.002 -8.891 -5.889 729 HD1 PHE 78 HD1 PHE 78 -7.715 -8.974 -5.195 730 HD2 PHE 78 HD2 PHE 78 -9.889 -5.318 -5.053 731 HE1 PHE 78 HE1 PHE 78 -5.930 -7.970 -3.831 732 HE2 PHE 78 HE2 PHE 78 -8.111 -4.310 -3.687 733 HZ PHE 78 HZ PHE 78 -6.127 -5.638 -3.081 734 H GLN 79 H GLN 79 -12.149 -6.601 -7.889 735 HA GLN 79 HA GLN 79 -11.331 -3.944 -8.697 736 HB2 GLN 79 HB3 GLN 79 -13.429 -5.092 -9.528 737 HB3 GLN 79 HB2 GLN 79 -14.097 -4.897 -7.914 738 HG2 GLN 79 HG3 GLN 79 -13.689 -2.417 -8.194 739 HG3 GLN 79 HG2 GLN 79 -13.386 -2.761 -9.896 740 HE21 GLN 79 HE21 GLN 79 -15.094 -3.513 -11.190 741 HE22 GLN 79 HE22 GLN 79 -16.745 -3.288 -10.721 742 H ASP 80 H ASP 80 -11.584 -2.047 -7.405 743 HA ASP 80 HA ASP 80 -12.132 -2.494 -4.568 744 HB2 ASP 80 HB3 ASP 80 -9.701 -3.021 -5.090 745 HB3 ASP 80 HB2 ASP 80 -9.504 -1.305 -5.426 746 H GLU 81 H GLU 81 -12.134 -0.559 -3.276 747 HA GLU 81 HA GLU 81 -13.262 1.735 -4.676 748 HB2 GLU 81 HB3 GLU 81 -13.002 1.207 -1.707 749 HB3 GLU 81 HB2 GLU 81 -13.987 2.447 -2.469 750 HG2 GLU 81 HG3 GLU 81 -14.410 -0.475 -2.931 751 HG3 GLU 81 HG2 GLU 81 -15.191 0.411 -1.622 752 H ALA 82 H ALA 82 -11.195 2.386 -5.533 753 HA ALA 82 HA ALA 82 -8.840 2.596 -4.033 754 HB1 ALA 82 HB1 ALA 82 -9.643 3.982 -6.578 755 HB2 ALA 82 HB2 ALA 82 -8.837 2.418 -6.431 756 HB3 ALA 82 HB3 ALA 82 -7.998 3.891 -5.940 757 H LEU 83 H LEU 83 -7.723 4.305 -3.157 758 HA LEU 83 HA LEU 83 -8.995 6.273 -1.702 759 HB2 LEU 83 HB3 LEU 83 -6.207 6.511 -2.853 760 HB3 LEU 83 HB2 LEU 83 -6.838 7.399 -1.488 761 HG LEU 83 HG LEU 83 -5.474 5.842 -0.493 762 HD11 LEU 83 HD11 LEU 83 -6.937 4.094 0.521 763 HD12 LEU 83 HD12 LEU 83 -8.228 4.663 -0.537 764 HD13 LEU 83 HD13 LEU 83 -7.521 5.750 0.655 765 HD21 LEU 83 HD21 LEU 83 -4.967 4.558 -2.513 766 HD22 LEU 83 HD22 LEU 83 -6.497 3.699 -2.345 767 HD23 LEU 83 HD23 LEU 83 -5.246 3.519 -1.117 768 H ASP 84 H ASP 84 -8.039 6.219 -4.981 769 HA ASP 84 HA ASP 84 -8.029 9.015 -5.510 770 HB2 ASP 84 HB3 ASP 84 -6.699 7.450 -6.797 771 HB3 ASP 84 HB2 ASP 84 -8.138 6.593 -7.305 772 H SER 85 H SER 85 -10.546 7.247 -4.607 773 HA SER 85 HA SER 85 -12.792 7.537 -4.638 774 HB2 SER 85 HB3 SER 85 -12.229 9.971 -6.355 775 HB3 SER 85 HB2 SER 85 -13.758 9.596 -5.560 776 HG SER 85 HG SER 85 -12.286 11.112 -4.458 777 H THR 86 H THR 86 -11.230 6.118 -6.740 778 HA THR 86 HA THR 86 -13.293 6.055 -8.827 779 HB THR 86 HB THR 86 -11.356 5.047 -10.230 780 HG1 THR 86 HG1 THR 86 -9.536 6.680 -9.050 781 HG21 THR 86 HG21 THR 86 -12.425 7.155 -10.766 782 HG22 THR 86 HG22 THR 86 -10.678 7.310 -10.958 783 HG23 THR 86 HG23 THR 86 -11.472 7.981 -9.534 784 H GLN 87 H GLN 87 -13.493 3.957 -9.934 785 HA GLN 87 HA GLN 87 -13.217 1.745 -8.016 786 HB2 GLN 87 HB3 GLN 87 -15.085 1.955 -10.382 787 HB3 GLN 87 HB2 GLN 87 -15.139 0.762 -9.089 788 HG2 GLN 87 HG3 GLN 87 -15.445 3.650 -8.447 789 HG3 GLN 87 HG2 GLN 87 -16.803 2.757 -9.130 790 HE21 GLN 87 HE21 GLN 87 -14.423 1.314 -7.003 791 HE22 GLN 87 HE22 GLN 87 -15.499 1.070 -5.669 792 H HIS 88 H HIS 88 -11.465 0.499 -8.589 793 HA HIS 88 HA HIS 88 -11.354 -0.388 -11.332 794 HB2 HIS 88 HB3 HIS 88 -9.032 0.325 -11.755 795 HB3 HIS 88 HB2 HIS 88 -10.173 1.656 -11.654 796 HD1 HIS 88 HD1 HIS 88 -7.559 -0.057 -9.482 797 HD2 HIS 88 HD2 HIS 88 -9.427 3.624 -9.990 798 HE1 HIS 88 HE1 HIS 88 -6.378 1.531 -7.924 799 HE2 HIS 88 HE2 HIS 88 -7.465 3.770 -8.317 800 H LYS 89 H LYS 89 -9.174 -1.614 -11.684 801 HA LYS 89 HA LYS 89 -9.395 -3.777 -9.810 802 HB2 LYS 89 HB3 LYS 89 -9.285 -3.967 -12.348 803 HB3 LYS 89 HB2 LYS 89 -7.577 -3.587 -12.204 804 HG2 LYS 89 HG3 LYS 89 -7.145 -5.582 -10.986 805 HG3 LYS 89 HG2 LYS 89 -8.869 -5.916 -10.807 806 HD2 LYS 89 HD3 LYS 89 -8.036 -7.339 -12.532 807 HD3 LYS 89 HD2 LYS 89 -9.008 -6.085 -13.300 808 HE2 LYS 89 HE3 LYS 89 -7.057 -6.341 -14.620 809 HE3 LYS 89 HE2 LYS 89 -6.866 -4.836 -13.723 810 HZ1 LYS 89 HZ1 LYS 89 -4.839 -6.147 -13.714 811 HZ2 LYS 89 HZ2 LYS 89 -5.651 -7.450 -12.998 812 HZ3 LYS 89 HZ3 LYS 89 -5.456 -5.996 -12.146 813 H ILE 90 H ILE 90 -7.771 -4.672 -8.638 814 HA ILE 90 HA ILE 90 -5.198 -3.317 -8.452 815 HB ILE 90 HB ILE 90 -7.122 -3.712 -6.169 816 HG12 ILE 90 HG13 ILE 90 -5.498 -1.333 -7.094 817 HG13 ILE 90 HG12 ILE 90 -7.212 -1.584 -7.406 818 HG21 ILE 90 HG21 ILE 90 -4.159 -3.201 -5.976 819 HG22 ILE 90 HG22 ILE 90 -5.003 -4.676 -5.488 820 HG23 ILE 90 HG23 ILE 90 -5.303 -3.160 -4.630 821 HD11 ILE 90 HD11 ILE 90 -6.956 -0.031 -5.616 822 HD12 ILE 90 HD12 ILE 90 -5.901 -1.142 -4.745 823 HD13 ILE 90 HD13 ILE 90 -7.602 -1.541 -4.971 824 H THR 91 H THR 91 -3.596 -4.739 -8.294 825 HA THR 91 HA THR 91 -4.306 -7.548 -7.783 826 HB THR 91 HB THR 91 -2.008 -6.525 -9.435 827 HG1 THR 91 HG1 THR 91 -3.410 -7.342 -11.206 828 HG21 THR 91 HG21 THR 91 -1.936 -8.825 -10.302 829 HG22 THR 91 HG22 THR 91 -3.222 -9.273 -9.179 830 HG23 THR 91 HG23 THR 91 -1.648 -8.762 -8.564 831 H PHE 92 H PHE 92 -3.126 -8.697 -6.360 832 HA PHE 92 HA PHE 92 -0.827 -7.366 -5.076 833 HB2 PHE 92 HB3 PHE 92 -3.019 -9.059 -3.959 834 HB3 PHE 92 HB2 PHE 92 -1.411 -9.238 -3.266 835 HD1 PHE 92 HD1 PHE 92 -3.958 -6.683 -4.105 836 HD2 PHE 92 HD2 PHE 92 -0.708 -7.785 -1.595 837 HE1 PHE 92 HE1 PHE 92 -4.376 -4.704 -2.710 838 HE2 PHE 92 HE2 PHE 92 -1.119 -5.803 -0.194 839 HZ PHE 92 HZ PHE 92 -2.877 -4.278 -0.709 840 H ASP 93 H ASP 93 1.097 -8.419 -5.212 841 HA ASP 93 HA ASP 93 1.124 -11.252 -5.859 842 HB2 ASP 93 HB3 ASP 93 0.996 -10.262 -8.077 843 HB3 ASP 93 HB2 ASP 93 2.330 -9.177 -7.701 844 H LEU 94 H LEU 94 2.848 -12.275 -5.064 845 HA LEU 94 HA LEU 94 4.823 -10.701 -3.615 846 HB2 LEU 94 HB3 LEU 94 3.695 -13.353 -3.395 847 HB3 LEU 94 HB2 LEU 94 5.445 -13.438 -3.435 848 HG LEU 94 HG LEU 94 4.560 -13.363 -1.140 849 HD11 LEU 94 HD11 LEU 94 6.788 -12.500 -1.588 850 HD12 LEU 94 HD12 LEU 94 6.002 -11.587 -0.301 851 HD13 LEU 94 HD13 LEU 94 6.114 -10.906 -1.924 852 HD21 LEU 94 HD21 LEU 94 2.570 -12.021 -1.532 853 HD22 LEU 94 HD22 LEU 94 3.574 -10.621 -1.910 854 HD23 LEU 94 HD23 LEU 94 3.577 -11.295 -0.277 855 H LYS 95 H LYS 95 6.528 -10.020 -4.729 856 HA LYS 95 HA LYS 95 7.167 -11.285 -7.273 857 HB2 LYS 95 HB3 LYS 95 6.960 -8.757 -6.889 858 HB3 LYS 95 HB2 LYS 95 8.497 -8.869 -6.041 859 HG2 LYS 95 HG3 LYS 95 8.895 -8.145 -8.286 860 HG3 LYS 95 HG2 LYS 95 9.515 -9.788 -8.103 861 HD2 LYS 95 HD3 LYS 95 7.594 -10.695 -9.219 862 HD3 LYS 95 HD2 LYS 95 6.812 -9.115 -9.256 863 HE2 LYS 95 HE3 LYS 95 8.616 -8.281 -10.703 864 HE3 LYS 95 HE2 LYS 95 9.354 -9.883 -10.691 865 HZ1 LYS 95 HZ1 LYS 95 8.011 -9.473 -12.679 866 HZ2 LYS 95 HZ2 LYS 95 6.634 -9.276 -11.717 867 HZ3 LYS 95 HZ3 LYS 95 7.417 -10.772 -11.775 868 H ASP 96 H ASP 96 8.876 -10.208 -4.385 869 HA ASP 96 HA ASP 96 10.713 -12.494 -4.655 870 HB2 ASP 96 HB3 ASP 96 11.289 -9.738 -3.534 871 HB3 ASP 96 HB2 ASP 96 12.392 -11.098 -3.431 872 HA PRO 97 HA PRO 97 9.355 -13.814 -0.696 873 HB2 PRO 97 HB3 PRO 97 12.100 -14.070 0.338 874 HB3 PRO 97 HB2 PRO 97 10.904 -15.327 0.014 875 HG2 PRO 97 HG3 PRO 97 13.076 -15.035 -1.531 876 HG3 PRO 97 HG2 PRO 97 11.510 -15.510 -2.216 877 HD2 PRO 97 HD3 PRO 97 12.822 -12.813 -2.191 878 HD3 PRO 97 HD2 PRO 97 11.987 -13.634 -3.521 879 H ASN 98 H ASN 98 10.778 -10.928 -1.032 880 HA ASN 98 HA ASN 98 10.077 -10.096 1.664 881 HB2 ASN 98 HB3 ASN 98 12.153 -8.772 1.902 882 HB3 ASN 98 HB2 ASN 98 12.484 -10.496 1.815 883 HD21 ASN 98 HD21 ASN 98 13.621 -11.310 0.099 884 HD22 ASN 98 HD22 ASN 98 14.397 -10.311 -1.081 885 H THR 99 H THR 99 9.149 -9.822 -1.229 886 HA THR 99 HA THR 99 8.728 -6.938 -1.120 887 HB THR 99 HB THR 99 9.723 -8.249 -3.657 888 HG1 THR 99 HG1 THR 99 11.066 -7.159 -1.516 889 HG21 THR 99 HG21 THR 99 9.922 -5.918 -4.446 890 HG22 THR 99 HG22 THR 99 9.199 -5.361 -2.936 891 HG23 THR 99 HG23 THR 99 8.258 -6.348 -4.055 892 H LEU 100 H LEU 100 6.604 -6.856 -1.021 893 HA LEU 100 HA LEU 100 4.938 -8.551 -2.748 894 HB2 LEU 100 HB3 LEU 100 4.439 -8.416 -0.321 895 HB3 LEU 100 HB2 LEU 100 4.233 -6.686 -0.459 896 HG LEU 100 HG LEU 100 2.449 -8.620 -1.938 897 HD11 LEU 100 HD11 LEU 100 2.350 -9.154 0.443 898 HD12 LEU 100 HD12 LEU 100 0.862 -8.370 -0.088 899 HD13 LEU 100 HD13 LEU 100 2.066 -7.453 0.821 900 HD21 LEU 100 HD21 LEU 100 0.898 -6.748 -1.938 901 HD22 LEU 100 HD22 LEU 100 2.429 -6.265 -2.666 902 HD23 LEU 100 HD23 LEU 100 2.042 -5.772 -1.018 903 H THR 101 H THR 101 3.635 -7.591 -4.412 904 HA THR 101 HA THR 101 4.072 -4.691 -4.754 905 HB THR 101 HB THR 101 3.678 -5.186 -7.233 906 HG1 THR 101 HG1 THR 101 4.107 -7.793 -6.198 907 HG21 THR 101 HG21 THR 101 6.046 -5.727 -7.589 908 HG22 THR 101 HG22 THR 101 6.190 -6.183 -5.891 909 HG23 THR 101 HG23 THR 101 5.834 -4.512 -6.327 910 H GLU 102 H GLU 102 2.361 -3.430 -4.955 911 HA GLU 102 HA GLU 102 -0.279 -4.697 -5.313 912 HB2 GLU 102 HB3 GLU 102 0.085 -3.562 -3.108 913 HB3 GLU 102 HB2 GLU 102 0.331 -2.050 -3.972 914 HG2 GLU 102 HG3 GLU 102 -1.953 -2.221 -4.873 915 HG3 GLU 102 HG2 GLU 102 -2.192 -3.695 -3.939 916 H THR 103 H THR 103 -0.843 -4.477 -7.390 917 HA THR 103 HA THR 103 0.013 -2.067 -8.833 918 HB THR 103 HB THR 103 -1.070 -4.630 -10.008 919 HG1 THR 103 HG1 THR 103 1.660 -4.091 -10.136 920 HG21 THR 103 HG21 THR 103 0.572 -2.388 -11.196 921 HG22 THR 103 HG22 THR 103 -1.141 -2.686 -11.494 922 HG23 THR 103 HG23 THR 103 0.065 -3.851 -12.042 923 H HIS 104 H HIS 104 -1.462 -0.521 -8.967 924 HA HIS 104 HA HIS 104 -4.323 -1.176 -8.971 925 HB2 HIS 104 HB3 HIS 104 -3.089 1.580 -9.033 926 HB3 HIS 104 HB2 HIS 104 -4.731 1.156 -8.601 927 HD1 HIS 104 HD1 HIS 104 -2.947 2.900 -6.760 928 HD2 HIS 104 HD2 HIS 104 -3.400 -1.235 -6.413 929 HE1 HIS 104 HE1 HIS 104 -2.461 2.350 -4.359 930 HE2 HIS 104 HE2 HIS 104 -2.879 -0.127 -4.133 931 H ILE 105 H ILE 105 -5.258 -1.470 -10.948 932 HA ILE 105 HA ILE 105 -4.311 0.294 -13.105 933 HB ILE 105 HB ILE 105 -5.401 -2.504 -13.332 934 HG12 ILE 105 HG13 ILE 105 -2.729 -1.238 -14.018 935 HG13 ILE 105 HG12 ILE 105 -3.054 -2.419 -12.746 936 HG21 ILE 105 HG21 ILE 105 -5.143 -2.229 -15.773 937 HG22 ILE 105 HG22 ILE 105 -4.780 -0.522 -15.526 938 HG23 ILE 105 HG23 ILE 105 -6.373 -1.155 -15.103 939 HD11 ILE 105 HD11 ILE 105 -3.605 -4.083 -14.406 940 HD12 ILE 105 HD12 ILE 105 -1.989 -3.430 -14.679 941 HD13 ILE 105 HD13 ILE 105 -3.337 -2.905 -15.690 942 H LYS 106 H LYS 106 -5.676 1.805 -13.574 943 HA LYS 106 HA LYS 106 -8.373 1.845 -12.782 944 HB2 LYS 106 HB3 LYS 106 -6.829 3.533 -14.745 945 HB3 LYS 106 HB2 LYS 106 -8.500 3.857 -14.299 946 HG2 LYS 106 HG3 LYS 106 -7.828 4.108 -11.957 947 HG3 LYS 106 HG2 LYS 106 -6.154 3.786 -12.407 948 HD2 LYS 106 HD3 LYS 106 -6.087 5.783 -13.757 949 HD3 LYS 106 HD2 LYS 106 -7.803 6.072 -13.473 950 HE2 LYS 106 HE3 LYS 106 -7.433 6.526 -11.169 951 HE3 LYS 106 HE2 LYS 106 -5.765 5.957 -11.262 952 HZ1 LYS 106 HZ1 LYS 106 -5.975 8.403 -11.248 953 HZ2 LYS 106 HZ2 LYS 106 -6.804 8.325 -12.717 954 HZ3 LYS 106 HZ3 LYS 106 -5.192 7.812 -12.630 955 H VAL 107 H VAL 107 -9.795 0.509 -13.497 956 HA VAL 107 HA VAL 107 -9.783 -0.920 -15.861 957 HB VAL 107 HB VAL 107 -12.148 -1.450 -15.434 958 HG11 VAL 107 HG11 VAL 107 -10.330 -1.575 -13.036 959 HG12 VAL 107 HG12 VAL 107 -10.399 -2.744 -14.354 960 HG13 VAL 107 HG13 VAL 107 -11.778 -2.552 -13.272 961 HG21 VAL 107 HG21 VAL 107 -12.862 0.682 -14.616 962 HG22 VAL 107 HG22 VAL 107 -11.786 0.545 -13.232 963 HG23 VAL 107 HG23 VAL 107 -13.167 -0.542 -13.383 964 H ASP 108 H ASP 108 -10.799 2.312 -15.339 965 HA ASP 108 HA ASP 108 -12.534 2.437 -17.636 966 HB2 ASP 108 HB3 ASP 108 -12.648 4.852 -17.130 967 HB3 ASP 108 HB2 ASP 108 -13.006 3.867 -15.721 968 H ASP 109 H ASP 109 -9.254 3.400 -16.810 969 HA ASP 109 HA ASP 109 -8.531 3.341 -19.608 970 HB2 ASP 109 HB3 ASP 109 -8.451 5.864 -17.985 971 HB3 ASP 109 HB2 ASP 109 -7.201 5.572 -19.186 972 HA PRO 110 HA PRO 110 -5.474 1.352 -16.956 973 HB2 PRO 110 HB3 PRO 110 -4.694 -0.434 -18.809 974 HB3 PRO 110 HB2 PRO 110 -6.185 -0.622 -17.890 975 HG2 PRO 110 HG3 PRO 110 -5.797 0.427 -20.664 976 HG3 PRO 110 HG2 PRO 110 -7.011 -0.709 -20.055 977 HD2 PRO 110 HD3 PRO 110 -7.535 1.900 -20.447 978 HD3 PRO 110 HD2 PRO 110 -8.319 0.945 -19.176 979 H THR 111 H THR 111 -5.209 3.569 -19.270 980 HA THR 111 HA THR 111 -2.442 3.369 -19.975 981 HB THR 111 HB THR 111 -2.747 5.784 -20.634 982 HG1 THR 111 HG1 THR 111 -5.061 6.430 -20.614 983 HG21 THR 111 HG21 THR 111 -4.289 5.315 -22.489 984 HG22 THR 111 HG22 THR 111 -4.821 3.846 -21.670 985 HG23 THR 111 HG23 THR 111 -3.158 3.985 -22.240 986 H ASP 112 H ASP 112 -4.338 4.573 -17.353 987 HA ASP 112 HA ASP 112 -1.902 5.546 -16.023 988 HB2 ASP 112 HB3 ASP 112 -3.740 7.222 -16.251 989 HB3 ASP 112 HB2 ASP 112 -4.782 6.156 -15.318 990 H VAL 113 H VAL 113 -1.119 4.215 -14.544 991 HA VAL 113 HA VAL 113 -2.934 2.567 -13.010 992 HB VAL 113 HB VAL 113 -1.399 0.703 -13.078 993 HG11 VAL 113 HG11 VAL 113 -3.202 0.732 -14.695 994 HG12 VAL 113 HG12 VAL 113 -1.770 -0.035 -15.381 995 HG13 VAL 113 HG13 VAL 113 -2.183 1.620 -15.826 996 HG21 VAL 113 HG21 VAL 113 0.161 2.304 -15.064 997 HG22 VAL 113 HG22 VAL 113 0.427 0.601 -14.682 998 HG23 VAL 113 HG23 VAL 113 0.684 1.834 -13.446 999 H GLU 114 H GLU 114 -0.872 1.423 -11.375 1000 HA GLU 114 HA GLU 114 0.748 3.459 -10.262 1001 HB2 GLU 114 HB3 GLU 114 -1.479 4.448 -9.868 1002 HB3 GLU 114 HB2 GLU 114 -1.945 3.017 -8.974 1003 HG2 GLU 114 HG3 GLU 114 -0.340 3.514 -7.257 1004 HG3 GLU 114 HG2 GLU 114 0.250 4.902 -8.184 1005 H THR 115 H THR 115 2.244 2.358 -9.065 1006 HA THR 115 HA THR 115 1.393 -0.235 -7.961 1007 HB THR 115 HB THR 115 4.094 0.184 -9.225 1008 HG1 THR 115 HG1 THR 115 2.370 0.501 -10.770 1009 HG21 THR 115 HG21 THR 115 3.842 -1.721 -7.674 1010 HG22 THR 115 HG22 THR 115 4.103 -2.258 -9.334 1011 HG23 THR 115 HG23 THR 115 2.485 -2.310 -8.636 1012 H TYR 116 H TYR 116 1.939 -0.600 -5.943 1013 HA TYR 116 HA TYR 116 4.164 0.920 -4.722 1014 HB2 TYR 116 HB3 TYR 116 2.212 -0.862 -3.254 1015 HB3 TYR 116 HB2 TYR 116 3.324 0.301 -2.564 1016 HD1 TYR 116 HD1 TYR 116 2.537 2.612 -4.514 1017 HD2 TYR 116 HD2 TYR 116 0.307 -0.125 -2.140 1018 HE1 TYR 116 HE1 TYR 116 0.703 4.248 -4.342 1019 HE2 TYR 116 HE2 TYR 116 -1.525 1.496 -1.968 1020 HH TYR 116 HH TYR 116 -1.761 4.011 -2.107 1021 H GLU 117 H GLU 117 5.663 -0.486 -3.315 1022 HA GLU 117 HA GLU 117 5.225 -3.311 -3.586 1023 HB2 GLU 117 HB3 GLU 117 7.550 -3.793 -4.196 1024 HB3 GLU 117 HB2 GLU 117 6.738 -2.876 -5.455 1025 HG2 GLU 117 HG3 GLU 117 7.823 -0.832 -4.593 1026 HG3 GLU 117 HG2 GLU 117 8.712 -1.839 -3.450 1027 H TYR 118 H TYR 118 5.535 -4.238 -1.716 1028 HA TYR 118 HA TYR 118 6.238 -2.483 0.501 1029 HB2 TYR 118 HB3 TYR 118 4.784 -5.131 0.396 1030 HB3 TYR 118 HB2 TYR 118 5.103 -4.240 1.875 1031 HD1 TYR 118 HD1 TYR 118 3.460 -2.822 2.668 1032 HD2 TYR 118 HD2 TYR 118 3.488 -3.733 -1.478 1033 HE1 TYR 118 HE1 TYR 118 1.385 -1.562 2.369 1034 HE2 TYR 118 HE2 TYR 118 1.433 -2.470 -1.781 1035 HH TYR 118 HH TYR 118 -0.371 -1.669 -0.598 1036 H ARG 119 H ARG 119 8.257 -2.554 1.135 1037 HA ARG 119 HA ARG 119 9.529 -5.192 1.519 1038 HB2 ARG 119 HB3 ARG 119 10.904 -2.535 1.037 1039 HB3 ARG 119 HB2 ARG 119 11.688 -4.097 1.214 1040 HG2 ARG 119 HG3 ARG 119 10.607 -4.863 -0.850 1041 HG3 ARG 119 HG2 ARG 119 9.863 -3.272 -1.033 1042 HD2 ARG 119 HD3 ARG 119 12.121 -2.269 -1.088 1043 HD3 ARG 119 HD2 ARG 119 12.813 -3.888 -1.011 1044 HE ARG 119 HE ARG 119 10.999 -3.210 -3.220 1045 HH11 ARG 119 HH11 ARG 119 14.215 -4.031 -2.090 1046 HH12 ARG 119 HH12 ARG 119 14.842 -4.290 -3.684 1047 HH21 ARG 119 HH21 ARG 119 11.813 -3.527 -5.301 1048 HH22 ARG 119 HH22 ARG 119 13.476 -3.999 -5.521 1049 H ARG 120 H ARG 120 10.508 -5.513 3.578 1050 HA ARG 120 HA ARG 120 9.578 -3.568 5.566 1051 HB2 ARG 120 HB3 ARG 120 10.574 -6.388 5.998 1052 HB3 ARG 120 HB2 ARG 120 9.993 -5.309 7.255 1053 HG2 ARG 120 HG3 ARG 120 8.190 -6.697 6.861 1054 HG3 ARG 120 HG2 ARG 120 7.803 -5.262 5.912 1055 HD2 ARG 120 HD3 ARG 120 7.442 -7.505 4.783 1056 HD3 ARG 120 HD2 ARG 120 8.389 -6.316 3.892 1057 HE ARG 120 HE ARG 120 10.398 -7.522 4.637 1058 HH11 ARG 120 HH11 ARG 120 7.349 -9.242 4.827 1059 HH12 ARG 120 HH12 ARG 120 8.089 -10.806 4.689 1060 HH21 ARG 120 HH21 ARG 120 11.362 -9.562 4.502 1061 HH22 ARG 120 HH22 ARG 120 10.371 -10.989 4.507 1062 H ASP 121 H ASP 121 10.882 -2.652 7.064 1063 HA ASP 121 HA ASP 121 13.726 -3.346 7.067 1064 HB2 ASP 121 HB3 ASP 121 13.303 -1.254 5.681 1065 HB3 ASP 121 HB2 ASP 121 12.772 -0.478 7.169 1066 H GLY 122 H GLY 122 12.680 -4.541 8.882 1067 HA2 GLY 122 HA3 GLY 122 12.680 -4.822 11.169 1068 HA3 GLY 122 HA2 GLY 122 13.172 -3.145 11.338 1069 H ASP 123 H ASP 123 11.728 -1.762 12.122 1070 HA ASP 123 HA ASP 123 8.982 -2.681 12.516 1071 HB2 ASP 123 HB3 ASP 123 10.539 -0.358 13.665 1072 HB3 ASP 123 HB2 ASP 123 8.819 -0.590 13.950 1073 H TYR 124 H TYR 124 10.455 -1.372 10.068 1074 HA TYR 124 HA TYR 124 8.338 0.586 9.481 1075 HB2 TYR 124 HB3 TYR 124 11.162 0.454 8.405 1076 HB3 TYR 124 HB2 TYR 124 9.936 1.605 7.880 1077 HD1 TYR 124 HD1 TYR 124 12.309 0.723 10.494 1078 HD2 TYR 124 HD2 TYR 124 9.200 3.398 9.369 1079 HE1 TYR 124 HE1 TYR 124 12.979 2.248 12.299 1080 HE2 TYR 124 HE2 TYR 124 9.858 4.932 11.173 1081 HH TYR 124 HH TYR 124 12.779 4.688 12.820 1082 H LEU 125 H LEU 125 6.934 -0.029 7.979 1083 HA LEU 125 HA LEU 125 7.730 -1.958 5.948 1084 HB2 LEU 125 HB3 LEU 125 5.275 -1.283 7.094 1085 HB3 LEU 125 HB2 LEU 125 5.210 -0.549 5.505 1086 HG LEU 125 HG LEU 125 5.442 -3.465 6.204 1087 HD11 LEU 125 HD11 LEU 125 3.546 -1.881 4.488 1088 HD12 LEU 125 HD12 LEU 125 3.215 -2.529 6.094 1089 HD13 LEU 125 HD13 LEU 125 3.489 -3.626 4.740 1090 HD21 LEU 125 HD21 LEU 125 5.707 -3.958 3.816 1091 HD22 LEU 125 HD22 LEU 125 7.097 -3.080 4.456 1092 HD23 LEU 125 HD23 LEU 125 5.893 -2.235 3.484 1093 H VAL 126 H VAL 126 8.576 -1.288 4.060 1094 HA VAL 126 HA VAL 126 8.735 1.621 3.714 1095 HB VAL 126 HB VAL 126 10.583 -0.397 2.441 1096 HG11 VAL 126 HG11 VAL 126 12.028 1.580 2.164 1097 HG12 VAL 126 HG12 VAL 126 10.768 2.583 2.884 1098 HG13 VAL 126 HG13 VAL 126 10.476 1.769 1.346 1099 HG21 VAL 126 HG21 VAL 126 10.789 -0.606 4.860 1100 HG22 VAL 126 HG22 VAL 126 10.978 1.141 5.010 1101 HG23 VAL 126 HG23 VAL 126 12.213 0.187 4.189 1102 H MET 127 H MET 127 7.238 2.234 2.419 1103 HA MET 127 HA MET 127 6.282 0.603 0.241 1104 HB2 MET 127 HB3 MET 127 4.667 1.933 1.433 1105 HB3 MET 127 HB2 MET 127 5.599 3.397 1.154 1106 HG2 MET 127 HG3 MET 127 4.864 3.633 -0.974 1107 HG3 MET 127 HG2 MET 127 4.717 1.894 -1.233 1108 HE1 MET 127 HE1 MET 127 2.940 1.043 1.342 1109 HE2 MET 127 HE2 MET 127 2.885 0.436 -0.310 1110 HE3 MET 127 HE3 MET 127 1.406 0.991 0.475 1111 H LYS 128 H LYS 128 7.167 0.573 -1.702 1112 HA LYS 128 HA LYS 128 8.768 2.894 -2.507 1113 HB2 LYS 128 HB3 LYS 128 10.204 0.958 -2.119 1114 HB3 LYS 128 HB2 LYS 128 9.200 -0.025 -3.171 1115 HG2 LYS 128 HG3 LYS 128 11.210 0.619 -4.324 1116 HG3 LYS 128 HG2 LYS 128 9.817 1.405 -5.069 1117 HD2 LYS 128 HD3 LYS 128 10.332 3.450 -3.772 1118 HD3 LYS 128 HD2 LYS 128 11.777 2.654 -3.147 1119 HE2 LYS 128 HE3 LYS 128 11.183 3.205 -6.052 1120 HE3 LYS 128 HE2 LYS 128 12.284 4.131 -5.037 1121 HZ1 LYS 128 HZ1 LYS 128 12.585 1.261 -5.740 1122 HZ2 LYS 128 HZ2 LYS 128 13.646 2.154 -4.773 1123 HZ3 LYS 128 HZ3 LYS 128 13.467 2.540 -6.407 1124 H MET 129 H MET 129 7.834 3.964 -4.057 1125 HA MET 129 HA MET 129 6.274 2.546 -6.093 1126 HB2 MET 129 HB3 MET 129 4.606 4.502 -5.913 1127 HB3 MET 129 HB2 MET 129 4.547 3.271 -4.658 1128 HG2 MET 129 HG3 MET 129 6.223 4.914 -3.462 1129 HG3 MET 129 HG2 MET 129 5.442 6.092 -4.511 1130 HE1 MET 129 HE1 MET 129 1.768 6.082 -3.296 1131 HE2 MET 129 HE2 MET 129 2.460 5.276 -4.705 1132 HE3 MET 129 HE3 MET 129 2.989 6.901 -4.271 1133 H SER 130 H SER 130 6.215 3.622 -8.129 1134 HA SER 130 HA SER 130 7.909 5.964 -8.415 1135 HB2 SER 130 HB3 SER 130 9.265 4.708 -10.195 1136 HB3 SER 130 HB2 SER 130 9.612 4.335 -8.507 1137 HG SER 130 HG SER 130 8.373 2.458 -8.703 1138 H TRP 131 H TRP 131 7.391 7.211 -10.086 1139 HA TRP 131 HA TRP 131 5.930 6.108 -12.367 1140 HB2 TRP 131 HB3 TRP 131 4.308 7.045 -10.589 1141 HB3 TRP 131 HB2 TRP 131 4.951 8.627 -11.030 1142 HD1 TRP 131 HD1 TRP 131 3.985 9.746 -13.171 1143 HE1 TRP 131 HE1 TRP 131 2.234 9.058 -14.933 1144 HE3 TRP 131 HE3 TRP 131 3.390 4.858 -11.846 1145 HZ2 TRP 131 HZ2 TRP 131 0.802 6.748 -15.662 1146 HZ3 TRP 131 HZ3 TRP 131 1.814 3.475 -13.126 1147 HH2 TRP 131 HH2 TRP 131 0.548 4.402 -14.994 1148 H LYS 132 H LYS 132 6.592 6.968 -14.233 1149 HA LYS 132 HA LYS 132 7.958 8.055 -15.662 1150 HB2 LYS 132 HB3 LYS 132 7.159 10.412 -13.954 1151 HB3 LYS 132 HB2 LYS 132 7.922 10.530 -15.531 1152 HG2 LYS 132 HG3 LYS 132 5.996 9.454 -16.558 1153 HG3 LYS 132 HG2 LYS 132 5.231 9.300 -14.976 1154 HD2 LYS 132 HD3 LYS 132 5.300 11.767 -14.753 1155 HD3 LYS 132 HD2 LYS 132 5.951 11.867 -16.390 1156 HE2 LYS 132 HE3 LYS 132 3.290 10.672 -15.628 1157 HE3 LYS 132 HE2 LYS 132 3.529 12.273 -16.321 1158 HZ1 LYS 132 HZ1 LYS 132 2.881 10.691 -18.004 1159 HZ2 LYS 132 HZ2 LYS 132 4.196 9.696 -17.633 1160 HZ3 LYS 132 HZ3 LYS 132 4.457 11.229 -18.297 1161 H GLY 133 H GLY 133 9.360 6.781 -13.659 1162 HA2 GLY 133 HA3 GLY 133 11.601 6.653 -13.083 1163 HA3 GLY 133 HA2 GLY 133 11.825 8.275 -13.716 1164 H VAL 134 H VAL 134 9.513 9.163 -11.935 1165 HA VAL 134 HA VAL 134 11.150 10.043 -9.773 1166 HB VAL 134 HB VAL 134 8.138 10.175 -9.816 1167 HG11 VAL 134 HG11 VAL 134 10.217 11.962 -8.557 1168 HG12 VAL 134 HG12 VAL 134 9.269 10.740 -7.715 1169 HG13 VAL 134 HG13 VAL 134 8.468 12.144 -8.424 1170 HG21 VAL 134 HG21 VAL 134 10.099 12.049 -11.137 1171 HG22 VAL 134 HG22 VAL 134 8.386 12.393 -10.887 1172 HG23 VAL 134 HG23 VAL 134 8.873 11.060 -11.933 1173 H SER 135 H SER 135 11.846 8.529 -8.392 1174 HA SER 135 HA SER 135 9.993 6.506 -7.443 1175 HB2 SER 135 HB3 SER 135 12.912 6.670 -6.815 1176 HB3 SER 135 HB2 SER 135 11.876 5.267 -6.871 1177 HG SER 135 HG SER 135 12.122 6.681 -9.239 1178 H THR 136 H THR 136 9.429 6.344 -5.374 1179 HA THR 136 HA THR 136 10.579 8.191 -3.419 1180 HB THR 136 HB THR 136 8.643 9.387 -4.138 1181 HG1 THR 136 HG1 THR 136 8.938 9.231 -1.846 1182 HG21 THR 136 HG21 THR 136 6.392 8.426 -4.133 1183 HG22 THR 136 HG22 THR 136 7.068 6.857 -3.701 1184 HG23 THR 136 HG23 THR 136 7.455 7.583 -5.260 1185 H SER 137 H SER 137 10.720 7.419 -1.385 1186 HA SER 137 HA SER 137 9.608 4.746 -0.877 1187 HB2 SER 137 HB3 SER 137 12.087 5.959 0.374 1188 HB3 SER 137 HB2 SER 137 11.496 4.312 0.579 1189 HG SER 137 HG SER 137 12.400 3.771 -1.232 1190 H ARG 138 H ARG 138 7.867 4.992 0.351 1191 HA ARG 138 HA ARG 138 7.865 7.068 2.417 1192 HB2 ARG 138 HB3 ARG 138 5.930 7.230 1.062 1193 HB3 ARG 138 HB2 ARG 138 5.655 5.496 1.108 1194 HG2 ARG 138 HG3 ARG 138 4.849 5.563 3.300 1195 HG3 ARG 138 HG2 ARG 138 5.526 7.166 3.592 1196 HD2 ARG 138 HD3 ARG 138 3.477 6.793 1.452 1197 HD3 ARG 138 HD2 ARG 138 2.969 6.871 3.139 1198 HE ARG 138 HE ARG 138 4.717 9.016 2.398 1199 HH11 ARG 138 HH11 ARG 138 1.416 7.906 2.279 1200 HH12 ARG 138 HH12 ARG 138 0.741 9.502 2.345 1201 HH21 ARG 138 HH21 ARG 138 3.852 11.132 2.518 1202 HH22 ARG 138 HH22 ARG 138 2.123 11.336 2.494 1203 H TYR 139 H TYR 139 8.043 6.582 4.505 1204 HA TYR 139 HA TYR 139 8.446 3.756 5.128 1205 HB2 TYR 139 HB3 TYR 139 9.305 6.245 6.616 1206 HB3 TYR 139 HB2 TYR 139 9.665 4.593 7.113 1207 HD1 TYR 139 HD1 TYR 139 10.510 7.286 4.810 1208 HD2 TYR 139 HD2 TYR 139 11.220 3.216 5.811 1209 HE1 TYR 139 HE1 TYR 139 12.525 7.299 3.398 1210 HE2 TYR 139 HE2 TYR 139 13.237 3.214 4.406 1211 HH TYR 139 HH TYR 139 14.676 6.019 3.251 1212 H TYR 140 H TYR 140 6.772 2.757 5.909 1213 HA TYR 140 HA TYR 140 4.854 4.189 7.580 1214 HB2 TYR 140 HB3 TYR 140 4.770 1.560 6.120 1215 HB3 TYR 140 HB2 TYR 140 3.609 1.923 7.394 1216 HD1 TYR 140 HD1 TYR 140 2.010 3.770 7.123 1217 HD2 TYR 140 HD2 TYR 140 4.613 2.620 3.955 1218 HE1 TYR 140 HE1 TYR 140 0.624 5.030 5.540 1219 HE2 TYR 140 HE2 TYR 140 3.218 3.878 2.358 1220 HH TYR 140 HH TYR 140 0.910 4.754 2.155 1221 H LYS 141 H LYS 141 4.946 4.067 9.682 1222 HA LYS 141 HA LYS 141 6.789 2.153 10.912 1223 HB2 LYS 141 HB3 LYS 141 7.573 4.257 11.487 1224 HB3 LYS 141 HB2 LYS 141 5.977 4.980 11.429 1225 HG2 LYS 141 HG3 LYS 141 6.882 4.985 13.679 1226 HG3 LYS 141 HG2 LYS 141 5.427 3.997 13.574 1227 HD2 LYS 141 HD3 LYS 141 7.049 2.873 14.914 1228 HD3 LYS 141 HD2 LYS 141 6.856 1.987 13.413 1229 HE2 LYS 141 HE3 LYS 141 9.193 2.115 14.010 1230 HE3 LYS 141 HE2 LYS 141 8.886 3.051 12.549 1231 HZ1 LYS 141 HZ1 LYS 141 9.076 4.233 15.264 1232 HZ2 LYS 141 HZ2 LYS 141 8.987 5.073 13.795 1233 HZ3 LYS 141 HZ3 LYS 141 10.363 4.162 14.168 1234 H LYS 142 H LYS 142 5.954 0.664 12.260 1235 HA LYS 142 HA LYS 142 3.467 -0.317 12.136 1236 HB2 LYS 142 HB3 LYS 142 5.484 -1.313 13.222 1237 HB3 LYS 142 HB2 LYS 142 5.113 -0.372 14.656 1238 HG2 LYS 142 HG3 LYS 142 3.021 -1.556 14.933 1239 HG3 LYS 142 HG2 LYS 142 3.306 -2.452 13.437 1240 HD2 LYS 142 HD3 LYS 142 5.342 -3.417 14.425 1241 HD3 LYS 142 HD2 LYS 142 5.010 -2.553 15.926 1242 HE2 LYS 142 HE3 LYS 142 2.903 -3.772 16.160 1243 HE3 LYS 142 HE2 LYS 142 3.230 -4.627 14.654 1244 HZ1 LYS 142 HZ1 LYS 142 3.809 -5.953 16.591 1245 HZ2 LYS 142 HZ2 LYS 142 4.897 -4.768 17.103 1246 HZ3 LYS 142 HZ3 LYS 142 5.180 -5.608 15.666 1247 H GLN 143 H GLN 143 1.422 -0.247 13.405 1248 HA GLN 143 HA GLN 143 1.117 2.040 15.140 1249 HB2 GLN 143 HB3 GLN 143 -0.727 -0.320 14.796 1250 HB3 GLN 143 HB2 GLN 143 -1.117 1.201 15.579 1251 HG2 GLN 143 HG3 GLN 143 -0.260 2.029 13.128 1252 HG3 GLN 143 HG2 GLN 143 -1.076 0.509 12.754 1253 HE21 GLN 143 HE21 GLN 143 -1.422 3.676 14.102 1254 HE22 GLN 143 HE22 GLN 143 -3.132 3.756 14.003 1255 H21 OLA1001 H21 OLA1001 -2.400 6.227 -0.458 1256 H22 OLA1001 H22 OLA1001 -0.906 6.228 -1.400 1257 H31 OLA1001 H31 OLA1001 0.318 7.211 0.355 1258 H32 OLA1001 H32 OLA1001 -0.960 6.897 1.525 1259 H41 OLA1001 H41 OLA1001 -1.180 8.799 -0.806 1260 H42 OLA1001 H42 OLA1001 -0.839 9.271 0.860 1261 H51 OLA1001 H51 OLA1001 -3.048 7.912 1.343 1262 H52 OLA1001 H52 OLA1001 -3.375 8.285 -0.352 1263 H61 OLA1001 H61 OLA1001 -3.080 10.665 0.103 1264 H62 OLA1001 H62 OLA1001 -2.719 10.306 1.791 1265 H71 OLA1001 H71 OLA1001 -4.951 10.888 1.892 1266 H72 OLA1001 H72 OLA1001 -5.031 9.132 1.771 1267 H81 OLA1001 H81 OLA1001 -6.650 9.977 0.281 1268 H82 OLA1001 H82 OLA1001 -5.306 9.406 -0.700 1269 H9 OLA1001 H9 OLA1001 -4.834 12.170 -0.245 1270 H10 OLA1001 H10 OLA1001 -6.121 12.847 -2.107 1271 H111 OLA1001 H111 OLA1001 -8.241 11.361 -2.095 1272 H112 OLA1001 H112 OLA1001 -7.143 9.993 -2.081 1273 H121 OLA1001 H121 OLA1001 -7.247 12.101 -4.230 1274 H122 OLA1001 H122 OLA1001 -8.012 10.514 -4.326 1275 H131 OLA1001 H131 OLA1001 -5.055 11.016 -3.973 1276 H132 OLA1001 H132 OLA1001 -5.840 10.580 -5.495 1277 H141 OLA1001 H141 OLA1001 -6.585 8.463 -4.508 1278 H142 OLA1001 H142 OLA1001 -5.805 8.900 -2.987 1279 H151 OLA1001 H151 OLA1001 -4.406 8.504 -5.622 1280 H152 OLA1001 H152 OLA1001 -4.445 7.347 -4.290 1281 H161 OLA1001 H161 OLA1001 -3.375 9.076 -2.847 1282 H162 OLA1001 H162 OLA1001 -3.206 10.089 -4.282 1283 H171 OLA1001 H171 OLA1001 -1.886 8.323 -5.358 1284 H172 OLA1001 H172 OLA1001 -2.018 7.350 -3.893 1285 H181 OLA1001 H181 OLA1001 -0.077 8.279 -3.330 1286 H182 OLA1001 H182 OLA1001 -1.047 9.705 -2.929 1287 H183 OLA1001 H183 OLA1001 -0.260 9.585 -4.512 Start of MODEL 13 1 H1 MET -11 H1 MET -11 -0.097 -28.921 -20.059 2 H2 MET -11 H2 MET -11 0.963 -28.022 -19.099 3 H3 MET -11 H3 MET -11 1.074 -29.707 -19.129 4 HA MET -11 HA MET -11 1.746 -29.685 -21.414 5 HB2 MET -11 HB3 MET -11 0.455 -27.648 -22.021 6 HB3 MET -11 HB2 MET -11 1.629 -26.672 -21.150 7 HG2 MET -11 HG3 MET -11 2.046 -26.600 -23.530 8 HG3 MET -11 HG2 MET -11 3.379 -27.385 -22.687 9 HE1 MET -11 HE1 MET -11 -0.151 -28.944 -23.545 10 HE2 MET -11 HE2 MET -11 0.178 -29.650 -25.127 11 HE3 MET -11 HE3 MET -11 0.203 -27.900 -24.919 12 H ARG -10 H ARG -10 3.313 -30.632 -19.967 13 HA ARG -10 HA ARG -10 5.328 -30.845 -18.944 14 HB2 ARG -10 HB3 ARG -10 6.084 -30.177 -21.212 15 HB3 ARG -10 HB2 ARG -10 6.092 -28.498 -20.694 16 HG2 ARG -10 HG3 ARG -10 7.795 -29.046 -19.009 17 HG3 ARG -10 HG2 ARG -10 7.813 -30.711 -19.592 18 HD2 ARG -10 HD3 ARG -10 8.558 -29.967 -21.773 19 HD3 ARG -10 HD2 ARG -10 8.458 -28.283 -21.260 20 HE ARG -10 HE ARG -10 10.159 -29.687 -19.514 21 HH11 ARG -10 HH11 ARG -10 10.060 -28.502 -22.800 22 HH12 ARG -10 HH12 ARG -10 11.779 -28.301 -22.914 23 HH21 ARG -10 HH21 ARG -10 12.415 -29.416 -19.649 24 HH22 ARG -10 HH22 ARG -10 13.122 -28.826 -21.118 25 H GLY -9 H GLY -9 4.034 -30.020 -17.063 26 HA2 GLY -9 HA3 GLY -9 5.492 -28.523 -15.334 27 HA3 GLY -9 HA2 GLY -9 4.523 -27.327 -16.180 28 H SER -8 H SER -8 4.635 -28.886 -13.411 29 HA SER -8 HA SER -8 1.829 -29.632 -13.223 30 HB2 SER -8 HB3 SER -8 3.638 -31.017 -12.166 31 HB3 SER -8 HB2 SER -8 3.960 -29.675 -11.070 32 HG SER -8 HG SER -8 2.208 -30.127 -9.977 33 H HIS -7 H HIS -7 4.086 -27.217 -12.012 34 HA HIS -7 HA HIS -7 2.136 -25.880 -10.401 35 HB2 HIS -7 HB3 HIS -7 3.838 -24.133 -10.105 36 HB3 HIS -7 HB2 HIS -7 4.501 -25.731 -9.817 37 HD1 HIS -7 HD1 HIS -7 6.351 -23.377 -10.393 38 HD2 HIS -7 HD2 HIS -7 4.931 -25.946 -13.339 39 HE1 HIS -7 HE1 HIS -7 8.005 -23.228 -12.279 40 HE2 HIS -7 HE2 HIS -7 7.078 -24.713 -14.086 41 H HIS -6 H HIS -6 0.788 -24.246 -10.901 42 HA HIS -6 HA HIS -6 1.071 -22.983 -13.545 43 HB2 HIS -6 HB3 HIS -6 -0.710 -24.765 -13.540 44 HB3 HIS -6 HB2 HIS -6 -1.572 -23.822 -12.331 45 HD1 HIS -6 HD1 HIS -6 -3.032 -21.942 -13.163 46 HD2 HIS -6 HD2 HIS -6 -0.568 -23.496 -16.125 47 HE1 HIS -6 HE1 HIS -6 -3.816 -20.896 -15.312 48 HE2 HIS -6 HE2 HIS -6 -2.445 -22.016 -17.106 49 H HIS -5 H HIS -5 2.164 -21.493 -11.929 50 HA HIS -5 HA HIS -5 0.407 -19.295 -11.407 51 HB2 HIS -5 HB3 HIS -5 0.845 -19.126 -8.981 52 HB3 HIS -5 HB2 HIS -5 -0.076 -20.566 -9.388 53 HD1 HIS -5 HD1 HIS -5 2.946 -19.435 -7.672 54 HD2 HIS -5 HD2 HIS -5 1.505 -23.006 -9.233 55 HE1 HIS -5 HE1 HIS -5 4.344 -21.243 -6.625 56 HE2 HIS -5 HE2 HIS -5 3.293 -23.392 -7.405 57 H HIS -4 H HIS -4 2.381 -19.222 -13.110 58 HA HIS -4 HA HIS -4 4.906 -18.537 -11.940 59 HB2 HIS -4 HB3 HIS -4 5.554 -17.873 -14.272 60 HB3 HIS -4 HB2 HIS -4 5.020 -19.536 -14.097 61 HD1 HIS -4 HD1 HIS -4 4.415 -16.489 -16.017 62 HD2 HIS -4 HD2 HIS -4 2.341 -19.980 -15.143 63 HE1 HIS -4 HE1 HIS -4 2.598 -16.649 -17.747 64 HE2 HIS -4 HE2 HIS -4 1.474 -18.859 -17.302 65 H HIS -3 H HIS -3 2.036 -16.858 -12.344 66 HA HIS -3 HA HIS -3 3.232 -14.574 -11.115 67 HB2 HIS -3 HB3 HIS -3 3.576 -14.187 -13.630 68 HB3 HIS -3 HB2 HIS -3 1.828 -13.983 -13.715 69 HD1 HIS -3 HD1 HIS -3 1.098 -11.624 -13.509 70 HD2 HIS -3 HD2 HIS -3 4.701 -12.310 -11.556 71 HE1 HIS -3 HE1 HIS -3 1.805 -9.393 -12.590 72 HE2 HIS -3 HE2 HIS -3 3.888 -9.876 -11.262 73 H HIS -2 H HIS -2 0.419 -15.951 -12.729 74 HA HIS -2 HA HIS -2 -1.457 -14.524 -11.067 75 HB2 HIS -2 HB3 HIS -2 -1.707 -16.716 -13.112 76 HB3 HIS -2 HB2 HIS -2 -3.069 -16.280 -12.088 77 HD1 HIS -2 HD1 HIS -2 -4.555 -15.225 -13.813 78 HD2 HIS -2 HD2 HIS -2 -0.714 -13.640 -13.828 79 HE1 HIS -2 HE1 HIS -2 -4.648 -13.242 -15.355 80 HE2 HIS -2 HE2 HIS -2 -2.346 -12.229 -15.252 81 H GLY -1 H GLY -1 -0.052 -15.347 -9.191 82 HA2 GLY -1 HA3 GLY -1 -1.324 -16.779 -7.365 83 HA3 GLY -1 HA2 GLY -1 -0.672 -18.076 -8.362 84 H SER 0 H SER 0 0.008 -15.628 -6.051 85 HA SER 0 HA SER 0 2.887 -15.902 -6.277 86 HB2 SER 0 HB3 SER 0 1.030 -14.155 -4.715 87 HB3 SER 0 HB2 SER 0 2.732 -14.271 -4.256 88 HG SER 0 HG SER 0 2.468 -13.887 -6.925 89 H LYS 1 H LYS 1 3.760 -15.652 -3.764 90 HA LYS 1 HA LYS 1 3.406 -18.240 -2.593 91 HB2 LYS 1 HB3 LYS 1 4.830 -15.789 -1.524 92 HB3 LYS 1 HB2 LYS 1 5.000 -17.425 -0.913 93 HG2 LYS 1 HG3 LYS 1 6.032 -18.123 -2.984 94 HG3 LYS 1 HG2 LYS 1 5.785 -16.516 -3.673 95 HD2 LYS 1 HD3 LYS 1 7.224 -15.565 -1.922 96 HD3 LYS 1 HD2 LYS 1 7.483 -17.182 -1.267 97 HE2 LYS 1 HE3 LYS 1 8.238 -16.267 -4.039 98 HE3 LYS 1 HE2 LYS 1 9.349 -16.442 -2.682 99 HZ1 LYS 1 HZ1 LYS 1 8.804 -18.810 -2.615 100 HZ2 LYS 1 HZ2 LYS 1 9.453 -18.361 -4.110 101 HZ3 LYS 1 HZ3 LYS 1 7.789 -18.624 -3.957 102 H THR 2 H THR 2 3.318 -17.973 0.014 103 HA THR 2 HA THR 2 0.829 -16.643 0.687 104 HB THR 2 HB THR 2 2.748 -18.125 2.501 105 HG1 THR 2 HG1 THR 2 0.747 -18.979 0.742 106 HG21 THR 2 HG21 THR 2 0.823 -18.319 3.997 107 HG22 THR 2 HG22 THR 2 -0.155 -17.385 2.866 108 HG23 THR 2 HG23 THR 2 1.213 -16.628 3.684 109 H LEU 3 H LEU 3 0.705 -14.843 2.042 110 HA LEU 3 HA LEU 3 2.700 -12.920 1.685 111 HB2 LEU 3 HB3 LEU 3 0.097 -12.945 2.610 112 HB3 LEU 3 HB2 LEU 3 1.020 -12.438 4.008 113 HG LEU 3 HG LEU 3 0.631 -11.041 1.393 114 HD11 LEU 3 HD11 LEU 3 0.659 -10.118 4.246 115 HD12 LEU 3 HD12 LEU 3 -0.784 -10.528 3.317 116 HD13 LEU 3 HD13 LEU 3 0.218 -9.156 2.839 117 HD21 LEU 3 HD21 LEU 3 2.438 -9.447 2.194 118 HD22 LEU 3 HD22 LEU 3 2.962 -10.954 1.449 119 HD23 LEU 3 HD23 LEU 3 3.002 -10.779 3.206 120 HA PRO 4 HA PRO 4 5.643 -14.260 4.845 121 HB2 PRO 4 HB3 PRO 4 6.651 -11.528 4.225 122 HB3 PRO 4 HB2 PRO 4 7.529 -13.060 4.293 123 HG2 PRO 4 HG3 PRO 4 6.944 -11.922 1.954 124 HG3 PRO 4 HG2 PRO 4 6.875 -13.682 2.161 125 HD2 PRO 4 HD3 PRO 4 4.640 -11.698 2.030 126 HD3 PRO 4 HD2 PRO 4 4.721 -13.360 1.406 127 H ASP 5 H ASP 5 5.298 -14.047 6.940 128 HA ASP 5 HA ASP 5 3.339 -12.403 7.997 129 HB2 ASP 5 HB3 ASP 5 5.578 -13.893 9.357 130 HB3 ASP 5 HB2 ASP 5 4.287 -13.081 10.235 131 H LYS 6 H LYS 6 6.706 -11.689 7.515 132 HA LYS 6 HA LYS 6 6.987 -9.573 9.328 133 HB2 LYS 6 HB3 LYS 6 8.289 -9.847 6.616 134 HB3 LYS 6 HB2 LYS 6 8.836 -8.814 7.926 135 HG2 LYS 6 HG3 LYS 6 8.799 -11.819 7.891 136 HG3 LYS 6 HG2 LYS 6 10.214 -10.773 7.821 137 HD2 LYS 6 HD3 LYS 6 8.293 -10.949 10.142 138 HD3 LYS 6 HD2 LYS 6 9.861 -11.747 10.059 139 HE2 LYS 6 HE3 LYS 6 9.404 -8.767 9.944 140 HE3 LYS 6 HE2 LYS 6 9.936 -9.663 11.365 141 HZ1 LYS 6 HZ1 LYS 6 11.413 -9.389 8.804 142 HZ2 LYS 6 HZ2 LYS 6 11.908 -10.352 10.098 143 HZ3 LYS 6 HZ3 LYS 6 11.816 -8.676 10.282 144 H PHE 7 H PHE 7 5.163 -9.743 6.385 145 HA PHE 7 HA PHE 7 5.151 -6.844 6.078 146 HB2 PHE 7 HB3 PHE 7 3.970 -9.081 4.432 147 HB3 PHE 7 HB2 PHE 7 3.639 -7.386 4.106 148 HD1 PHE 7 HD1 PHE 7 6.176 -6.081 4.417 149 HD2 PHE 7 HD2 PHE 7 5.317 -9.900 2.735 150 HE1 PHE 7 HE1 PHE 7 8.197 -5.928 3.030 151 HE2 PHE 7 HE2 PHE 7 7.342 -9.750 1.358 152 HZ PHE 7 HZ PHE 7 8.784 -7.762 1.502 153 H LEU 8 H LEU 8 3.627 -8.879 8.094 154 HA LEU 8 HA LEU 8 0.933 -7.864 7.630 155 HB2 LEU 8 HB3 LEU 8 1.958 -10.065 9.412 156 HB3 LEU 8 HB2 LEU 8 0.276 -9.572 9.315 157 HG LEU 8 HG LEU 8 1.896 -10.677 7.021 158 HD11 LEU 8 HD11 LEU 8 -0.312 -11.967 8.608 159 HD12 LEU 8 HD12 LEU 8 1.407 -12.329 8.772 160 HD13 LEU 8 HD13 LEU 8 0.577 -12.670 7.254 161 HD21 LEU 8 HD21 LEU 8 0.247 -9.190 6.184 162 HD22 LEU 8 HD22 LEU 8 -0.981 -9.836 7.270 163 HD23 LEU 8 HD23 LEU 8 -0.362 -10.830 5.951 164 H GLY 9 H GLY 9 -0.306 -6.973 9.271 165 HA2 GLY 9 HA3 GLY 9 -0.341 -6.333 11.698 166 HA3 GLY 9 HA2 GLY 9 1.276 -5.703 11.418 167 H THR 10 H THR 10 -0.656 -4.075 12.454 168 HA THR 10 HA THR 10 -1.506 -2.369 10.244 169 HB THR 10 HB THR 10 -2.038 -2.164 13.218 170 HG1 THR 10 HG1 THR 10 -3.068 -3.822 11.567 171 HG21 THR 10 HG21 THR 10 -3.098 -0.545 10.906 172 HG22 THR 10 HG22 THR 10 -2.096 0.034 12.233 173 HG23 THR 10 HG23 THR 10 -3.750 -0.495 12.543 174 H PHE 11 H PHE 11 -0.266 -0.740 9.614 175 HA PHE 11 HA PHE 11 1.948 0.082 11.378 176 HB2 PHE 11 HB3 PHE 11 1.846 0.242 8.358 177 HB3 PHE 11 HB2 PHE 11 3.240 0.537 9.385 178 HD1 PHE 11 HD1 PHE 11 4.113 -1.440 10.771 179 HD2 PHE 11 HD2 PHE 11 1.475 -1.869 7.460 180 HE1 PHE 11 HE1 PHE 11 4.785 -3.794 10.543 181 HE2 PHE 11 HE2 PHE 11 2.145 -4.223 7.227 182 HZ PHE 11 HZ PHE 11 3.797 -5.187 8.752 183 H LYS 12 H LYS 12 1.977 2.216 12.069 184 HA LYS 12 HA LYS 12 0.314 4.102 10.556 185 HB2 LYS 12 HB3 LYS 12 0.806 5.689 12.372 186 HB3 LYS 12 HB2 LYS 12 0.068 4.206 12.951 187 HG2 LYS 12 HG3 LYS 12 2.248 3.399 13.685 188 HG3 LYS 12 HG2 LYS 12 2.996 4.885 13.095 189 HD2 LYS 12 HD3 LYS 12 0.880 4.714 15.235 190 HD3 LYS 12 HD2 LYS 12 2.604 4.955 15.516 191 HE2 LYS 12 HE3 LYS 12 2.481 7.036 14.176 192 HE3 LYS 12 HE2 LYS 12 0.742 6.806 14.032 193 HZ1 LYS 12 HZ1 LYS 12 1.265 8.346 15.795 194 HZ2 LYS 12 HZ2 LYS 12 2.239 7.200 16.560 195 HZ3 LYS 12 HZ3 LYS 12 0.572 6.946 16.444 196 H LEU 13 H LEU 13 1.100 5.540 9.165 197 HA LEU 13 HA LEU 13 3.758 5.543 8.281 198 HB2 LEU 13 HB3 LEU 13 1.567 6.358 7.152 199 HB3 LEU 13 HB2 LEU 13 1.894 7.880 7.950 200 HG LEU 13 HG LEU 13 3.834 6.573 6.040 201 HD11 LEU 13 HD11 LEU 13 3.013 8.197 4.391 202 HD12 LEU 13 HD12 LEU 13 1.741 8.675 5.514 203 HD13 LEU 13 HD13 LEU 13 1.772 7.036 4.864 204 HD21 LEU 13 HD21 LEU 13 4.833 8.207 7.550 205 HD22 LEU 13 HD22 LEU 13 3.612 9.394 7.084 206 HD23 LEU 13 HD23 LEU 13 4.785 8.819 5.897 207 H GLU 14 H GLU 14 5.538 6.519 9.005 208 HA GLU 14 HA GLU 14 5.264 8.580 11.083 209 HB2 GLU 14 HB3 GLU 14 6.675 6.626 11.648 210 HB3 GLU 14 HB2 GLU 14 7.719 7.000 10.282 211 HG2 GLU 14 HG3 GLU 14 8.126 9.241 11.341 212 HG3 GLU 14 HG2 GLU 14 7.288 8.635 12.767 213 H ARG 15 H ARG 15 7.072 7.884 8.095 214 HA ARG 15 HA ARG 15 7.262 10.703 7.495 215 HB2 ARG 15 HB3 ARG 15 9.689 10.801 7.482 216 HB3 ARG 15 HB2 ARG 15 9.130 10.346 9.085 217 HG2 ARG 15 HG3 ARG 15 9.606 7.976 8.514 218 HG3 ARG 15 HG2 ARG 15 10.308 8.532 6.992 219 HD2 ARG 15 HD3 ARG 15 11.794 10.024 8.446 220 HD3 ARG 15 HD2 ARG 15 11.269 9.018 9.797 221 HE ARG 15 HE ARG 15 12.912 8.173 7.517 222 HH11 ARG 15 HH11 ARG 15 11.428 7.382 10.610 223 HH12 ARG 15 HH12 ARG 15 12.464 6.007 10.869 224 HH21 ARG 15 HH21 ARG 15 14.241 6.373 7.878 225 HH22 ARG 15 HH22 ARG 15 14.038 5.420 9.316 226 H ASP 16 H ASP 16 8.777 10.919 5.442 227 HA ASP 16 HA ASP 16 8.982 8.649 3.748 228 HB2 ASP 16 HB3 ASP 16 7.322 9.286 2.047 229 HB3 ASP 16 HB2 ASP 16 6.564 8.874 3.579 230 H GLU 17 H GLU 17 9.288 9.495 1.349 231 HA GLU 17 HA GLU 17 10.704 12.035 1.276 232 HB2 GLU 17 HB3 GLU 17 12.010 9.353 1.215 233 HB3 GLU 17 HB2 GLU 17 12.638 10.599 0.145 234 HG2 GLU 17 HG3 GLU 17 12.295 10.997 3.103 235 HG3 GLU 17 HG2 GLU 17 13.778 10.385 2.370 236 H ASN 18 H ASN 18 10.414 12.991 -0.647 237 HA ASN 18 HA ASN 18 10.306 13.326 -2.899 238 HB2 ASN 18 HB3 ASN 18 12.028 11.435 -2.904 239 HB3 ASN 18 HB2 ASN 18 10.696 10.361 -3.306 240 HD21 ASN 18 HD21 ASN 18 11.625 9.823 -5.267 241 HD22 ASN 18 HD22 ASN 18 11.642 10.918 -6.610 242 H PHE 19 H PHE 19 8.018 12.528 -1.206 243 HA PHE 19 HA PHE 19 6.307 10.858 -2.784 244 HB2 PHE 19 HB3 PHE 19 6.109 11.028 -0.307 245 HB3 PHE 19 HB2 PHE 19 5.508 12.674 -0.502 246 HD1 PHE 19 HD1 PHE 19 4.821 9.251 -1.804 247 HD2 PHE 19 HD2 PHE 19 3.221 12.966 -0.491 248 HE1 PHE 19 HE1 PHE 19 2.547 8.370 -2.103 249 HE2 PHE 19 HE2 PHE 19 0.940 12.090 -0.786 250 HZ PHE 19 HZ PHE 19 0.598 9.787 -1.600 251 H ASP 20 H ASP 20 6.576 14.350 -2.275 252 HA ASP 20 HA ASP 20 4.301 15.137 -3.682 253 HB2 ASP 20 HB3 ASP 20 5.719 16.633 -2.277 254 HB3 ASP 20 HB2 ASP 20 6.933 16.617 -3.551 255 H GLU 21 H GLU 21 7.635 14.745 -4.836 256 HA GLU 21 HA GLU 21 7.204 15.396 -7.507 257 HB2 GLU 21 HB3 GLU 21 9.181 13.456 -6.325 258 HB3 GLU 21 HB2 GLU 21 9.224 14.037 -7.986 259 HG2 GLU 21 HG3 GLU 21 9.485 15.720 -5.510 260 HG3 GLU 21 HG2 GLU 21 10.784 15.247 -6.594 261 H TYR 22 H TYR 22 6.835 12.287 -5.833 262 HA TYR 22 HA TYR 22 6.178 10.710 -8.048 263 HB2 TYR 22 HB3 TYR 22 6.559 9.662 -5.916 264 HB3 TYR 22 HB2 TYR 22 5.235 10.558 -5.178 265 HD1 TYR 22 HD1 TYR 22 2.998 9.778 -5.318 266 HD2 TYR 22 HD2 TYR 22 6.050 7.864 -7.579 267 HE1 TYR 22 HE1 TYR 22 1.444 7.953 -5.856 268 HE2 TYR 22 HE2 TYR 22 4.503 6.029 -8.119 269 HH TYR 22 HH TYR 22 1.121 6.211 -7.427 270 H LEU 23 H LEU 23 4.186 12.860 -6.080 271 HA LEU 23 HA LEU 23 1.685 12.107 -7.161 272 HB2 LEU 23 HB3 LEU 23 2.576 14.697 -5.886 273 HB3 LEU 23 HB2 LEU 23 0.908 14.295 -6.248 274 HG LEU 23 HG LEU 23 2.707 12.837 -4.309 275 HD11 LEU 23 HD11 LEU 23 0.277 14.554 -3.844 276 HD12 LEU 23 HD12 LEU 23 1.945 15.013 -3.497 277 HD13 LEU 23 HD13 LEU 23 1.188 13.688 -2.610 278 HD21 LEU 23 HD21 LEU 23 -0.176 12.352 -5.046 279 HD22 LEU 23 HD22 LEU 23 0.695 11.563 -3.731 280 HD23 LEU 23 HD23 LEU 23 1.188 11.292 -5.401 281 H LYS 24 H LYS 24 4.056 14.561 -8.064 282 HA LYS 24 HA LYS 24 2.559 15.840 -10.084 283 HB2 LYS 24 HB3 LYS 24 5.544 15.478 -9.790 284 HB3 LYS 24 HB2 LYS 24 4.785 16.556 -10.947 285 HG2 LYS 24 HG3 LYS 24 3.881 17.906 -9.176 286 HG3 LYS 24 HG2 LYS 24 4.479 16.766 -7.965 287 HD2 LYS 24 HD3 LYS 24 6.767 17.242 -8.603 288 HD3 LYS 24 HD2 LYS 24 6.210 18.315 -9.887 289 HE2 LYS 24 HE3 LYS 24 5.293 19.848 -8.282 290 HE3 LYS 24 HE2 LYS 24 5.632 18.731 -6.959 291 HZ1 LYS 24 HZ1 LYS 24 7.979 18.987 -7.351 292 HZ2 LYS 24 HZ2 LYS 24 7.277 20.513 -7.124 293 HZ3 LYS 24 HZ3 LYS 24 7.692 19.999 -8.680 294 H ALA 25 H ALA 25 4.874 13.189 -10.164 295 HA ALA 25 HA ALA 25 4.900 12.720 -12.920 296 HB1 ALA 25 HB1 ALA 25 6.505 11.749 -11.318 297 HB2 ALA 25 HB2 ALA 25 5.812 10.546 -12.404 298 HB3 ALA 25 HB3 ALA 25 5.238 10.664 -10.741 299 H ARG 26 H ARG 26 2.768 11.490 -10.411 300 HA ARG 26 HA ARG 26 1.328 9.730 -12.149 301 HB2 ARG 26 HB3 ARG 26 0.977 10.676 -9.339 302 HB3 ARG 26 HB2 ARG 26 -0.363 9.870 -10.143 303 HG2 ARG 26 HG3 ARG 26 2.385 8.671 -10.006 304 HG3 ARG 26 HG2 ARG 26 1.170 8.420 -8.750 305 HD2 ARG 26 HD3 ARG 26 0.655 7.840 -11.660 306 HD3 ARG 26 HD2 ARG 26 1.317 6.640 -10.552 307 HE ARG 26 HE ARG 26 -0.778 7.093 -9.192 308 HH11 ARG 26 HH11 ARG 26 -0.710 7.343 -12.706 309 HH12 ARG 26 HH12 ARG 26 -2.395 6.976 -12.876 310 HH21 ARG 26 HH21 ARG 26 -2.960 6.618 -9.429 311 HH22 ARG 26 HH22 ARG 26 -3.684 6.594 -11.007 312 H GLY 27 H GLY 27 1.302 13.067 -11.830 313 HA2 GLY 27 HA3 GLY 27 0.105 14.386 -13.388 314 HA3 GLY 27 HA2 GLY 27 -1.122 13.136 -13.468 315 H TYR 28 H TYR 28 -0.153 13.859 -10.290 316 HA TYR 28 HA TYR 28 -2.739 15.014 -9.753 317 HB2 TYR 28 HB3 TYR 28 -0.416 14.240 -7.995 318 HB3 TYR 28 HB2 TYR 28 -1.852 15.041 -7.365 319 HD1 TYR 28 HD1 TYR 28 -0.352 11.946 -8.102 320 HD2 TYR 28 HD2 TYR 28 -4.134 13.875 -7.926 321 HE1 TYR 28 HE1 TYR 28 -1.437 9.758 -7.918 322 HE2 TYR 28 HE2 TYR 28 -5.248 11.688 -7.730 323 HH TYR 28 HH TYR 28 -4.801 9.330 -8.238 324 H GLY 29 H GLY 29 -3.189 17.078 -9.644 325 HA2 GLY 29 HA3 GLY 29 -1.177 19.038 -10.174 326 HA3 GLY 29 HA2 GLY 29 -2.882 19.344 -9.896 327 H TRP 30 H TRP 30 -1.573 21.200 -8.877 328 HA TRP 30 HA TRP 30 -0.095 20.972 -6.555 329 HB2 TRP 30 HB3 TRP 30 -0.205 23.034 -7.800 330 HB3 TRP 30 HB2 TRP 30 -1.931 23.177 -7.499 331 HD1 TRP 30 HD1 TRP 30 1.454 23.621 -5.741 332 HE1 TRP 30 HE1 TRP 30 1.092 25.095 -3.659 333 HE3 TRP 30 HE3 TRP 30 -3.641 23.873 -5.819 334 HZ2 TRP 30 HZ2 TRP 30 -1.090 26.216 -2.240 335 HZ3 TRP 30 HZ3 TRP 30 -4.791 25.159 -4.071 336 HH2 TRP 30 HH2 TRP 30 -3.545 26.303 -2.322 337 H ILE 31 H ILE 31 -3.609 21.486 -6.848 338 HA ILE 31 HA ILE 31 -4.229 21.581 -4.147 339 HB ILE 31 HB ILE 31 -5.739 20.978 -6.617 340 HG12 ILE 31 HG13 ILE 31 -5.487 23.247 -5.666 341 HG13 ILE 31 HG12 ILE 31 -7.173 22.740 -5.754 342 HG21 ILE 31 HG21 ILE 31 -7.775 20.344 -5.396 343 HG22 ILE 31 HG22 ILE 31 -6.839 20.252 -3.904 344 HG23 ILE 31 HG23 ILE 31 -6.501 19.132 -5.226 345 HD11 ILE 31 HD11 ILE 31 -5.424 22.758 -3.315 346 HD12 ILE 31 HD12 ILE 31 -7.069 22.131 -3.372 347 HD13 ILE 31 HD13 ILE 31 -6.769 23.845 -3.664 348 H MET 32 H MET 32 -4.259 18.767 -6.288 349 HA MET 32 HA MET 32 -4.883 16.855 -4.370 350 HB2 MET 32 HB3 MET 32 -3.262 16.659 -6.902 351 HB3 MET 32 HB2 MET 32 -3.625 15.255 -5.908 352 HG2 MET 32 HG3 MET 32 -5.957 16.865 -6.533 353 HG3 MET 32 HG2 MET 32 -5.162 16.219 -7.958 354 HE1 MET 32 HE1 MET 32 -5.409 14.532 -4.328 355 HE2 MET 32 HE2 MET 32 -6.945 13.685 -4.537 356 HE3 MET 32 HE3 MET 32 -6.897 15.455 -4.569 357 H ARG 33 H ARG 33 -1.725 18.132 -5.352 358 HA ARG 33 HA ARG 33 -0.203 16.480 -3.649 359 HB2 ARG 33 HB3 ARG 33 0.408 19.202 -4.797 360 HB3 ARG 33 HB2 ARG 33 1.575 18.224 -3.917 361 HG2 ARG 33 HG3 ARG 33 1.198 16.422 -5.618 362 HG3 ARG 33 HG2 ARG 33 0.257 17.594 -6.543 363 HD2 ARG 33 HD3 ARG 33 3.127 17.955 -5.701 364 HD3 ARG 33 HD2 ARG 33 2.605 17.408 -7.291 365 HE ARG 33 HE ARG 33 1.622 19.579 -7.653 366 HH11 ARG 33 HH11 ARG 33 3.738 19.344 -4.858 367 HH12 ARG 33 HH12 ARG 33 4.085 21.048 -4.839 368 HH21 ARG 33 HH21 ARG 33 2.113 21.802 -7.633 369 HH22 ARG 33 HH22 ARG 33 3.165 22.442 -6.407 370 H GLN 34 H GLN 34 -2.103 19.320 -3.011 371 HA GLN 34 HA GLN 34 -0.856 19.877 -0.481 372 HB2 GLN 34 HB3 GLN 34 -3.534 20.757 -1.573 373 HB3 GLN 34 HB2 GLN 34 -2.800 21.360 -0.096 374 HG2 GLN 34 HG3 GLN 34 -1.856 21.755 -2.918 375 HG3 GLN 34 HG2 GLN 34 -2.440 22.974 -1.787 376 HE21 GLN 34 HE21 GLN 34 0.224 21.042 -2.789 377 HE22 GLN 34 HE22 GLN 34 1.418 21.776 -1.777 378 H VAL 35 H VAL 35 -3.513 17.887 -1.618 379 HA VAL 35 HA VAL 35 -4.453 17.395 1.076 380 HB VAL 35 HB VAL 35 -5.328 16.234 -1.576 381 HG11 VAL 35 HG11 VAL 35 -7.304 15.448 -0.399 382 HG12 VAL 35 HG12 VAL 35 -6.650 16.054 1.125 383 HG13 VAL 35 HG13 VAL 35 -5.840 14.736 0.277 384 HG21 VAL 35 HG21 VAL 35 -7.264 17.722 -1.338 385 HG22 VAL 35 HG22 VAL 35 -5.750 18.621 -1.436 386 HG23 VAL 35 HG23 VAL 35 -6.549 18.405 0.121 387 H ILE 36 H ILE 36 -3.515 15.270 -1.607 388 HA ILE 36 HA ILE 36 -3.271 12.870 -0.379 389 HB ILE 36 HB ILE 36 -1.351 13.837 -2.471 390 HG12 ILE 36 HG13 ILE 36 -4.172 12.784 -2.785 391 HG13 ILE 36 HG12 ILE 36 -3.677 14.448 -3.055 392 HG21 ILE 36 HG21 ILE 36 -1.421 11.520 -3.176 393 HG22 ILE 36 HG22 ILE 36 -2.568 11.153 -1.886 394 HG23 ILE 36 HG23 ILE 36 -0.918 11.639 -1.489 395 HD11 ILE 36 HD11 ILE 36 -3.902 13.370 -5.160 396 HD12 ILE 36 HD12 ILE 36 -2.871 12.031 -4.642 397 HD13 ILE 36 HD13 ILE 36 -2.183 13.644 -4.861 398 H LYS 37 H LYS 37 -0.715 15.331 -0.551 399 HA LYS 37 HA LYS 37 1.257 13.601 0.565 400 HB2 LYS 37 HB3 LYS 37 1.854 15.285 -1.052 401 HB3 LYS 37 HB2 LYS 37 1.209 16.556 -0.027 402 HG2 LYS 37 HG3 LYS 37 2.929 16.168 1.594 403 HG3 LYS 37 HG2 LYS 37 3.560 14.817 0.655 404 HD2 LYS 37 HD3 LYS 37 4.900 16.812 0.281 405 HD3 LYS 37 HD2 LYS 37 4.054 16.349 -1.194 406 HE2 LYS 37 HE3 LYS 37 2.343 18.044 -0.731 407 HE3 LYS 37 HE2 LYS 37 3.209 18.512 0.731 408 HZ1 LYS 37 HZ1 LYS 37 3.759 20.015 -1.025 409 HZ2 LYS 37 HZ2 LYS 37 4.173 18.750 -2.070 410 HZ3 LYS 37 HZ3 LYS 37 5.126 19.072 -0.705 411 H LEU 38 H LEU 38 -1.168 15.579 1.904 412 HA LEU 38 HA LEU 38 0.312 15.840 4.436 413 HB2 LEU 38 HB3 LEU 38 -1.985 17.396 3.290 414 HB3 LEU 38 HB2 LEU 38 -1.642 17.429 5.006 415 HG LEU 38 HG LEU 38 -0.679 19.376 3.977 416 HD11 LEU 38 HD11 LEU 38 1.629 19.168 4.661 417 HD12 LEU 38 HD12 LEU 38 1.514 17.411 4.612 418 HD13 LEU 38 HD13 LEU 38 0.582 18.320 5.799 419 HD21 LEU 38 HD21 LEU 38 -0.497 18.546 1.692 420 HD22 LEU 38 HD22 LEU 38 0.833 17.491 2.175 421 HD23 LEU 38 HD23 LEU 38 1.028 19.241 2.244 422 H ALA 39 H ALA 39 -1.727 13.771 3.037 423 HA ALA 39 HA ALA 39 -3.568 13.362 5.218 424 HB1 ALA 39 HB1 ALA 39 -4.397 11.497 3.877 425 HB2 ALA 39 HB2 ALA 39 -3.055 11.703 2.751 426 HB3 ALA 39 HB3 ALA 39 -4.274 12.967 2.909 427 H GLY 40 H GLY 40 -3.165 12.163 6.951 428 HA2 GLY 40 HA3 GLY 40 -0.810 10.537 7.183 429 HA3 GLY 40 HA2 GLY 40 -2.099 10.685 8.374 430 H VAL 41 H VAL 41 -0.687 8.283 7.305 431 HA VAL 41 HA VAL 41 -2.994 6.914 6.105 432 HB VAL 41 HB VAL 41 -0.149 6.409 5.259 433 HG11 VAL 41 HG11 VAL 41 -2.806 5.573 4.111 434 HG12 VAL 41 HG12 VAL 41 -1.631 4.539 4.927 435 HG13 VAL 41 HG13 VAL 41 -1.237 5.265 3.368 436 HG21 VAL 41 HG21 VAL 41 -0.851 8.707 4.658 437 HG22 VAL 41 HG22 VAL 41 -2.211 8.023 3.767 438 HG23 VAL 41 HG23 VAL 41 -0.560 7.675 3.262 439 H THR 42 H THR 42 -3.504 5.051 6.993 440 HA THR 42 HA THR 42 -1.499 3.672 8.654 441 HB THR 42 HB THR 42 -4.508 3.502 8.904 442 HG1 THR 42 HG1 THR 42 -3.850 5.555 9.546 443 HG21 THR 42 HG21 THR 42 -3.304 1.519 9.707 444 HG22 THR 42 HG22 THR 42 -4.028 2.416 11.043 445 HG23 THR 42 HG23 THR 42 -2.298 2.546 10.730 446 H LYS 43 H LYS 43 -0.723 1.942 7.637 447 HA LYS 43 HA LYS 43 -2.329 0.573 5.620 448 HB2 LYS 43 HB3 LYS 43 0.552 0.268 6.487 449 HB3 LYS 43 HB2 LYS 43 -0.212 -0.768 5.292 450 HG2 LYS 43 HG3 LYS 43 0.125 2.218 5.051 451 HG3 LYS 43 HG2 LYS 43 1.137 1.000 4.268 452 HD2 LYS 43 HD3 LYS 43 -1.025 0.124 3.235 453 HD3 LYS 43 HD2 LYS 43 -1.758 1.632 3.768 454 HE2 LYS 43 HE3 LYS 43 0.715 1.514 2.061 455 HE3 LYS 43 HE2 LYS 43 -0.912 1.576 1.388 456 HZ1 LYS 43 HZ1 LYS 43 -1.248 3.677 2.552 457 HZ2 LYS 43 HZ2 LYS 43 0.056 3.765 1.474 458 HZ3 LYS 43 HZ3 LYS 43 0.337 3.624 3.141 459 H LYS 44 H LYS 44 -3.187 -1.453 5.892 460 HA LYS 44 HA LYS 44 -2.672 -2.757 8.481 461 HB2 LYS 44 HB3 LYS 44 -5.360 -2.403 7.153 462 HB3 LYS 44 HB2 LYS 44 -5.064 -3.334 8.611 463 HG2 LYS 44 HG3 LYS 44 -4.428 -1.342 9.808 464 HG3 LYS 44 HG2 LYS 44 -4.580 -0.376 8.340 465 HD2 LYS 44 HD3 LYS 44 -6.542 -0.086 9.729 466 HD3 LYS 44 HD2 LYS 44 -6.978 -0.945 8.253 467 HE2 LYS 44 HE3 LYS 44 -6.837 -3.078 9.508 468 HE3 LYS 44 HE2 LYS 44 -6.523 -2.157 10.978 469 HZ1 LYS 44 HZ1 LYS 44 -8.976 -2.044 9.307 470 HZ2 LYS 44 HZ2 LYS 44 -8.676 -1.053 10.652 471 HZ3 LYS 44 HZ3 LYS 44 -8.834 -2.722 10.854 472 H PHE 45 H PHE 45 -1.517 -4.477 7.797 473 HA PHE 45 HA PHE 45 -2.666 -6.149 5.672 474 HB2 PHE 45 HB3 PHE 45 0.062 -6.078 6.941 475 HB3 PHE 45 HB2 PHE 45 -0.486 -7.463 6.011 476 HD1 PHE 45 HD1 PHE 45 0.574 -3.986 5.881 477 HD2 PHE 45 HD2 PHE 45 -0.793 -7.312 3.607 478 HE1 PHE 45 HE1 PHE 45 1.269 -2.851 3.816 479 HE2 PHE 45 HE2 PHE 45 -0.095 -6.185 1.535 480 HZ PHE 45 HZ PHE 45 1.000 -4.037 1.616 481 H ARG 46 H ARG 46 -3.865 -7.812 6.239 482 HA ARG 46 HA ARG 46 -3.256 -9.313 8.654 483 HB2 ARG 46 HB3 ARG 46 -5.533 -9.138 9.529 484 HB3 ARG 46 HB2 ARG 46 -4.797 -7.544 9.421 485 HG2 ARG 46 HG3 ARG 46 -6.006 -7.175 7.296 486 HG3 ARG 46 HG2 ARG 46 -6.799 -8.734 7.521 487 HD2 ARG 46 HD3 ARG 46 -6.968 -6.402 9.424 488 HD3 ARG 46 HD2 ARG 46 -8.198 -6.839 8.241 489 HE ARG 46 HE ARG 46 -7.545 -8.987 10.026 490 HH11 ARG 46 HH11 ARG 46 -9.515 -6.128 9.589 491 HH12 ARG 46 HH12 ARG 46 -10.706 -6.615 10.752 492 HH21 ARG 46 HH21 ARG 46 -9.122 -9.642 11.541 493 HH22 ARG 46 HH22 ARG 46 -10.474 -8.603 11.877 494 H ASN 47 H ASN 47 -4.353 -11.313 8.737 495 HA ASN 47 HA ASN 47 -4.913 -12.536 6.219 496 HB2 ASN 47 HB3 ASN 47 -5.767 -14.458 7.668 497 HB3 ASN 47 HB2 ASN 47 -4.083 -13.999 7.879 498 HD21 ASN 47 HD21 ASN 47 -3.866 -14.779 9.906 499 HD22 ASN 47 HD22 ASN 47 -4.653 -14.093 11.280 500 H ALA 48 H ALA 48 -7.050 -13.437 5.539 501 HA ALA 48 HA ALA 48 -8.869 -11.397 5.268 502 HB1 ALA 48 HB1 ALA 48 -10.408 -13.041 4.379 503 HB2 ALA 48 HB2 ALA 48 -9.489 -14.346 5.132 504 HB3 ALA 48 HB3 ALA 48 -8.766 -13.398 3.831 505 H ALA 49 H ALA 49 -10.557 -10.648 6.278 506 HA ALA 49 HA ALA 49 -10.551 -10.872 9.076 507 HB1 ALA 49 HB1 ALA 49 -11.124 -8.846 7.785 508 HB2 ALA 49 HB2 ALA 49 -12.313 -9.247 9.028 509 HB3 ALA 49 HB3 ALA 49 -12.649 -9.610 7.336 510 H SER 50 H SER 50 -12.683 -12.222 6.605 511 HA SER 50 HA SER 50 -14.583 -13.250 8.436 512 HB2 SER 50 HB3 SER 50 -14.021 -14.034 5.573 513 HB3 SER 50 HB2 SER 50 -15.513 -14.321 6.464 514 HG SER 50 HG SER 50 -16.116 -12.358 6.021 515 H GLY 51 H GLY 51 -11.581 -14.073 8.578 516 HA2 GLY 51 HA3 GLY 51 -10.506 -15.925 9.424 517 HA3 GLY 51 HA2 GLY 51 -12.083 -16.672 9.610 518 H LYS 52 H LYS 52 -11.094 -15.559 6.489 519 HA LYS 52 HA LYS 52 -11.290 -18.250 5.477 520 HB2 LYS 52 HB3 LYS 52 -12.427 -16.352 4.389 521 HB3 LYS 52 HB2 LYS 52 -10.868 -15.614 4.062 522 HG2 LYS 52 HG3 LYS 52 -10.263 -17.429 2.613 523 HG3 LYS 52 HG2 LYS 52 -11.763 -18.273 2.999 524 HD2 LYS 52 HD3 LYS 52 -11.604 -15.562 1.684 525 HD3 LYS 52 HD2 LYS 52 -11.844 -17.082 0.821 526 HE2 LYS 52 HE3 LYS 52 -13.941 -17.451 1.926 527 HE3 LYS 52 HE2 LYS 52 -13.674 -16.077 2.996 528 HZ1 LYS 52 HZ1 LYS 52 -15.204 -15.566 1.181 529 HZ2 LYS 52 HZ2 LYS 52 -13.987 -15.894 0.052 530 HZ3 LYS 52 HZ3 LYS 52 -13.817 -14.595 1.130 531 HA PRO 53 HA PRO 53 -6.828 -18.761 5.806 532 HB2 PRO 53 HB3 PRO 53 -7.473 -21.150 4.167 533 HB3 PRO 53 HB2 PRO 53 -6.571 -21.030 5.682 534 HG2 PRO 53 HG3 PRO 53 -9.027 -22.007 5.689 535 HG3 PRO 53 HG2 PRO 53 -8.499 -20.897 6.968 536 HD2 PRO 53 HD3 PRO 53 -10.187 -20.326 4.554 537 HD3 PRO 53 HD2 PRO 53 -10.416 -19.798 6.236 538 H ASP 54 H ASP 54 -5.163 -18.344 4.550 539 HA ASP 54 HA ASP 54 -3.758 -18.236 2.764 540 HB2 ASP 54 HB3 ASP 54 -4.908 -20.135 1.691 541 HB3 ASP 54 HB2 ASP 54 -6.132 -19.039 1.060 542 H ARG 55 H ARG 55 -6.973 -17.125 1.848 543 HA ARG 55 HA ARG 55 -6.184 -14.722 0.661 544 HB2 ARG 55 HB3 ARG 55 -8.737 -15.768 1.774 545 HB3 ARG 55 HB2 ARG 55 -8.631 -14.048 1.433 546 HG2 ARG 55 HG3 ARG 55 -9.609 -15.310 -0.424 547 HG3 ARG 55 HG2 ARG 55 -8.115 -14.496 -0.884 548 HD2 ARG 55 HD3 ARG 55 -6.890 -16.581 -0.708 549 HD3 ARG 55 HD2 ARG 55 -8.337 -17.412 -0.134 550 HE ARG 55 HE ARG 55 -9.159 -16.443 -2.489 551 HH11 ARG 55 HH11 ARG 55 -6.202 -18.154 -1.665 552 HH12 ARG 55 HH12 ARG 55 -6.101 -18.942 -3.210 553 HH21 ARG 55 HH21 ARG 55 -8.995 -17.469 -4.511 554 HH22 ARG 55 HH22 ARG 55 -7.677 -18.549 -4.824 555 H TYR 56 H TYR 56 -5.978 -12.650 1.350 556 HA TYR 56 HA TYR 56 -5.933 -12.245 4.266 557 HB2 TYR 56 HB3 TYR 56 -4.093 -11.198 2.121 558 HB3 TYR 56 HB2 TYR 56 -4.197 -10.451 3.708 559 HD1 TYR 56 HD1 TYR 56 -3.128 -13.447 1.861 560 HD2 TYR 56 HD2 TYR 56 -3.255 -11.513 5.645 561 HE1 TYR 56 HE1 TYR 56 -1.477 -15.053 2.734 562 HE2 TYR 56 HE2 TYR 56 -1.615 -13.112 6.529 563 HH TYR 56 HH TYR 56 0.270 -15.055 4.641 564 H ASP 57 H ASP 57 -5.903 -9.771 4.717 565 HA ASP 57 HA ASP 57 -7.819 -8.353 2.992 566 HB2 ASP 57 HB3 ASP 57 -8.988 -9.372 4.969 567 HB3 ASP 57 HB2 ASP 57 -7.935 -8.441 6.021 568 H MET 58 H MET 58 -7.316 -6.178 2.750 569 HA MET 58 HA MET 58 -5.027 -5.156 4.278 570 HB2 MET 58 HB3 MET 58 -3.934 -6.082 2.395 571 HB3 MET 58 HB2 MET 58 -5.170 -5.504 1.291 572 HG2 MET 58 HG3 MET 58 -3.113 -4.240 1.055 573 HG3 MET 58 HG2 MET 58 -4.427 -3.217 1.633 574 HE1 MET 58 HE1 MET 58 -1.258 -1.688 3.286 575 HE2 MET 58 HE2 MET 58 -2.756 -1.312 2.420 576 HE3 MET 58 HE3 MET 58 -1.518 -2.322 1.659 577 H GLU 59 H GLU 59 -5.248 -3.085 4.842 578 HA GLU 59 HA GLU 59 -7.137 -1.445 3.299 579 HB2 GLU 59 HB3 GLU 59 -6.782 -1.420 6.297 580 HB3 GLU 59 HB2 GLU 59 -7.781 -0.295 5.393 581 HG2 GLU 59 HG3 GLU 59 -9.129 -2.228 4.609 582 HG3 GLU 59 HG2 GLU 59 -8.190 -3.259 5.686 583 H ASN 60 H ASN 60 -6.639 0.619 2.896 584 HA ASN 60 HA ASN 60 -4.061 1.618 3.916 585 HB2 ASN 60 HB3 ASN 60 -5.249 2.353 1.229 586 HB3 ASN 60 HB2 ASN 60 -3.645 2.748 1.827 587 HD21 ASN 60 HD21 ASN 60 -2.464 1.802 0.247 588 HD22 ASN 60 HD22 ASN 60 -2.437 0.109 -0.083 589 H LEU 61 H LEU 61 -5.471 2.433 5.642 590 HA LEU 61 HA LEU 61 -7.623 4.219 5.011 591 HB2 LEU 61 HB3 LEU 61 -6.254 3.632 7.635 592 HB3 LEU 61 HB2 LEU 61 -7.740 4.544 7.454 593 HG LEU 61 HG LEU 61 -7.377 1.634 6.735 594 HD11 LEU 61 HD11 LEU 61 -7.329 1.998 9.138 595 HD12 LEU 61 HD12 LEU 61 -8.832 1.213 8.654 596 HD13 LEU 61 HD13 LEU 61 -8.820 2.933 9.039 597 HD21 LEU 61 HD21 LEU 61 -9.813 1.648 6.443 598 HD22 LEU 61 HD22 LEU 61 -9.009 2.726 5.303 599 HD23 LEU 61 HD23 LEU 61 -9.828 3.391 6.715 600 H THR 62 H THR 62 -7.708 6.434 5.219 601 HA THR 62 HA THR 62 -5.230 7.838 5.855 602 HB THR 62 HB THR 62 -5.324 9.228 3.881 603 HG1 THR 62 HG1 THR 62 -6.997 8.094 2.252 604 HG21 THR 62 HG21 THR 62 -4.036 7.210 3.610 605 HG22 THR 62 HG22 THR 62 -4.888 7.547 2.105 606 HG23 THR 62 HG23 THR 62 -5.483 6.293 3.190 607 H THR 63 H THR 63 -6.238 10.364 4.947 608 HA THR 63 HA THR 63 -8.111 10.876 7.122 609 HB THR 63 HB THR 63 -7.461 13.224 6.834 610 HG1 THR 63 HG1 THR 63 -6.109 13.838 5.184 611 HG21 THR 63 HG21 THR 63 -5.205 11.225 6.917 612 HG22 THR 63 HG22 THR 63 -6.059 11.940 8.287 613 HG23 THR 63 HG23 THR 63 -5.000 12.938 7.288 614 H LYS 64 H LYS 64 -7.863 10.982 3.649 615 HA LYS 64 HA LYS 64 -10.471 12.341 3.469 616 HB2 LYS 64 HB3 LYS 64 -8.280 12.080 1.402 617 HB3 LYS 64 HB2 LYS 64 -9.817 12.893 1.148 618 HG2 LYS 64 HG3 LYS 64 -7.817 13.717 3.234 619 HG3 LYS 64 HG2 LYS 64 -7.884 14.396 1.609 620 HD2 LYS 64 HD3 LYS 64 -10.236 15.074 2.053 621 HD3 LYS 64 HD2 LYS 64 -10.038 14.514 3.716 622 HE2 LYS 64 HE3 LYS 64 -8.217 16.106 4.043 623 HE3 LYS 64 HE2 LYS 64 -8.381 16.649 2.376 624 HZ1 LYS 64 HZ1 LYS 64 -9.469 18.161 3.887 625 HZ2 LYS 64 HZ2 LYS 64 -10.434 16.916 4.501 626 HZ3 LYS 64 HZ3 LYS 64 -10.620 17.416 2.896 627 H LYS 65 H LYS 65 -8.812 9.407 2.910 628 HA LYS 65 HA LYS 65 -11.082 8.358 1.393 629 HB2 LYS 65 HB3 LYS 65 -8.553 8.948 0.294 630 HB3 LYS 65 HB2 LYS 65 -8.654 7.199 0.415 631 HG2 LYS 65 HG3 LYS 65 -10.678 8.974 -0.935 632 HG3 LYS 65 HG2 LYS 65 -9.434 8.027 -1.753 633 HD2 LYS 65 HD3 LYS 65 -10.422 5.969 -0.945 634 HD3 LYS 65 HD2 LYS 65 -11.608 6.875 -0.003 635 HE2 LYS 65 HE3 LYS 65 -11.348 6.882 -3.008 636 HE3 LYS 65 HE2 LYS 65 -12.573 6.020 -2.080 637 HZ1 LYS 65 HZ1 LYS 65 -13.353 8.174 -1.239 638 HZ2 LYS 65 HZ2 LYS 65 -13.466 8.073 -2.921 639 HZ3 LYS 65 HZ3 LYS 65 -12.220 8.965 -2.213 640 H ASP 66 H ASP 66 -9.474 5.921 0.955 641 HA ASP 66 HA ASP 66 -8.930 4.411 3.071 642 HB2 ASP 66 HB3 ASP 66 -10.963 3.558 4.063 643 HB3 ASP 66 HB2 ASP 66 -10.969 5.309 4.209 644 H THR 67 H THR 67 -8.500 2.456 2.286 645 HA THR 67 HA THR 67 -10.259 1.367 0.196 646 HB THR 67 HB THR 67 -8.256 0.098 -0.631 647 HG1 THR 67 HG1 THR 67 -6.359 0.386 0.303 648 HG21 THR 67 HG21 THR 67 -8.977 2.084 -1.836 649 HG22 THR 67 HG22 THR 67 -7.215 1.994 -1.822 650 HG23 THR 67 HG23 THR 67 -8.050 3.110 -0.742 651 H HIS 68 H HIS 68 -10.792 -0.820 0.442 652 HA HIS 68 HA HIS 68 -9.641 -2.193 2.739 653 HB2 HIS 68 HB3 HIS 68 -11.779 -1.135 3.481 654 HB3 HIS 68 HB2 HIS 68 -12.626 -2.060 2.243 655 HD1 HIS 68 HD1 HIS 68 -13.914 -2.971 4.476 656 HD2 HIS 68 HD2 HIS 68 -10.002 -4.229 3.901 657 HE1 HIS 68 HE1 HIS 68 -13.647 -5.020 5.895 658 HE2 HIS 68 HE2 HIS 68 -11.319 -5.857 5.401 659 H HIS 69 H HIS 69 -8.518 -3.448 1.325 660 HA HIS 69 HA HIS 69 -9.759 -4.814 -0.875 661 HB2 HIS 69 HB3 HIS 69 -7.081 -5.373 0.425 662 HB3 HIS 69 HB2 HIS 69 -7.599 -5.895 -1.169 663 HD1 HIS 69 HD1 HIS 69 -8.680 -3.108 -2.166 664 HD2 HIS 69 HD2 HIS 69 -5.014 -3.760 -0.312 665 HE1 HIS 69 HE1 HIS 69 -7.188 -1.227 -2.926 666 HE2 HIS 69 HE2 HIS 69 -4.905 -1.815 -2.016 667 H LYS 70 H LYS 70 -11.513 -5.827 0.411 668 HA LYS 70 HA LYS 70 -10.938 -7.831 2.320 669 HB2 LYS 70 HB3 LYS 70 -13.346 -7.198 0.646 670 HB3 LYS 70 HB2 LYS 70 -13.321 -8.545 1.778 671 HG2 LYS 70 HG3 LYS 70 -13.282 -7.201 3.605 672 HG3 LYS 70 HG2 LYS 70 -12.474 -5.883 2.757 673 HD2 LYS 70 HD3 LYS 70 -15.327 -6.699 2.248 674 HD3 LYS 70 HD2 LYS 70 -14.835 -5.449 3.384 675 HE2 LYS 70 HE3 LYS 70 -13.796 -4.184 1.630 676 HE3 LYS 70 HE2 LYS 70 -14.200 -5.435 0.451 677 HZ1 LYS 70 HZ1 LYS 70 -16.135 -3.767 1.966 678 HZ2 LYS 70 HZ2 LYS 70 -16.559 -5.016 0.909 679 HZ3 LYS 70 HZ3 LYS 70 -15.782 -3.639 0.318 680 H ASP 71 H ASP 71 -9.990 -9.678 1.994 681 HA ASP 71 HA ASP 71 -9.769 -11.852 1.370 682 HB2 ASP 71 HB3 ASP 71 -12.284 -11.227 -0.169 683 HB3 ASP 71 HB2 ASP 71 -11.549 -12.823 -0.159 684 H TRP 72 H TRP 72 -7.848 -10.725 0.291 685 HA TRP 72 HA TRP 72 -7.958 -11.345 -2.587 686 HB2 TRP 72 HB3 TRP 72 -5.921 -9.902 -2.794 687 HB3 TRP 72 HB2 TRP 72 -7.371 -9.033 -2.310 688 HD1 TRP 72 HD1 TRP 72 -7.450 -8.053 0.164 689 HE1 TRP 72 HE1 TRP 72 -5.597 -7.509 1.857 690 HE3 TRP 72 HE3 TRP 72 -3.586 -10.688 -1.935 691 HZ2 TRP 72 HZ2 TRP 72 -2.869 -8.112 2.235 692 HZ3 TRP 72 HZ3 TRP 72 -1.401 -10.606 -0.790 693 HH2 TRP 72 HH2 TRP 72 -1.062 -9.358 1.227 694 H ALA 73 H ALA 73 -6.566 -12.812 -3.420 695 HA ALA 73 HA ALA 73 -4.758 -14.165 -1.561 696 HB1 ALA 73 HB1 ALA 73 -5.709 -14.842 -4.340 697 HB2 ALA 73 HB2 ALA 73 -6.125 -15.664 -2.833 698 HB3 ALA 73 HB3 ALA 73 -4.480 -15.763 -3.473 699 H LEU 74 H LEU 74 -2.559 -14.011 -1.773 700 HA LEU 74 HA LEU 74 -1.330 -12.167 -3.414 701 HB2 LEU 74 HB3 LEU 74 -0.540 -14.318 -1.657 702 HB3 LEU 74 HB2 LEU 74 0.529 -14.220 -3.036 703 HG LEU 74 HG LEU 74 -0.092 -11.983 -1.117 704 HD11 LEU 74 HD11 LEU 74 2.210 -12.229 -0.419 705 HD12 LEU 74 HD12 LEU 74 2.438 -13.550 -1.565 706 HD13 LEU 74 HD13 LEU 74 1.340 -13.746 -0.198 707 HD21 LEU 74 HD21 LEU 74 1.814 -12.044 -3.454 708 HD22 LEU 74 HD22 LEU 74 1.567 -10.701 -2.333 709 HD23 LEU 74 HD23 LEU 74 0.273 -11.189 -3.422 710 H GLY 75 H GLY 75 -0.866 -12.096 -5.495 711 HA2 GLY 75 HA3 GLY 75 -0.487 -12.880 -7.668 712 HA3 GLY 75 HA2 GLY 75 -0.854 -14.510 -7.123 713 H GLU 76 H GLU 76 -3.098 -12.091 -6.204 714 HA GLU 76 HA GLU 76 -4.948 -13.070 -8.271 715 HB2 GLU 76 HB3 GLU 76 -5.543 -13.776 -5.997 716 HB3 GLU 76 HB2 GLU 76 -5.586 -12.099 -5.483 717 HG2 GLU 76 HG3 GLU 76 -7.820 -13.000 -5.838 718 HG3 GLU 76 HG2 GLU 76 -7.472 -11.675 -6.940 719 H GLU 77 H GLU 77 -6.543 -11.623 -9.027 720 HA GLU 77 HA GLU 77 -5.814 -8.762 -8.885 721 HB2 GLU 77 HB3 GLU 77 -4.984 -9.864 -10.995 722 HB3 GLU 77 HB2 GLU 77 -6.647 -10.273 -11.385 723 HG2 GLU 77 HG3 GLU 77 -7.231 -7.971 -11.621 724 HG3 GLU 77 HG2 GLU 77 -5.659 -7.457 -11.006 725 H PHE 78 H PHE 78 -7.533 -7.837 -7.919 726 HA PHE 78 HA PHE 78 -10.188 -9.036 -8.383 727 HB2 PHE 78 HB3 PHE 78 -10.691 -8.651 -5.999 728 HB3 PHE 78 HB2 PHE 78 -9.335 -9.747 -6.215 729 HD1 PHE 78 HD1 PHE 78 -7.068 -9.047 -5.652 730 HD2 PHE 78 HD2 PHE 78 -10.412 -6.500 -5.001 731 HE1 PHE 78 HE1 PHE 78 -5.699 -7.633 -4.175 732 HE2 PHE 78 HE2 PHE 78 -9.049 -5.084 -3.527 733 HZ PHE 78 HZ PHE 78 -6.680 -5.670 -3.102 734 H GLN 79 H GLN 79 -12.007 -7.638 -8.080 735 HA GLN 79 HA GLN 79 -11.495 -4.901 -8.832 736 HB2 GLN 79 HB3 GLN 79 -13.406 -6.094 -9.792 737 HB3 GLN 79 HB2 GLN 79 -14.089 -6.314 -8.187 738 HG2 GLN 79 HG3 GLN 79 -14.446 -3.958 -7.950 739 HG3 GLN 79 HG2 GLN 79 -13.590 -3.634 -9.457 740 HE21 GLN 79 HE21 GLN 79 -15.760 -6.329 -9.088 741 HE22 GLN 79 HE22 GLN 79 -17.001 -5.715 -10.123 742 H ASP 80 H ASP 80 -11.950 -3.066 -7.584 743 HA ASP 80 HA ASP 80 -12.395 -3.425 -4.734 744 HB2 ASP 80 HB3 ASP 80 -10.003 -3.990 -5.133 745 HB3 ASP 80 HB2 ASP 80 -9.766 -2.381 -5.803 746 H GLU 81 H GLU 81 -12.546 -1.399 -3.572 747 HA GLU 81 HA GLU 81 -13.294 0.875 -5.250 748 HB2 GLU 81 HB3 GLU 81 -14.854 0.198 -3.452 749 HB3 GLU 81 HB2 GLU 81 -13.585 0.437 -2.264 750 HG2 GLU 81 HG3 GLU 81 -13.511 2.820 -2.848 751 HG3 GLU 81 HG2 GLU 81 -14.834 2.561 -3.986 752 H ALA 82 H ALA 82 -11.430 1.761 -5.878 753 HA ALA 82 HA ALA 82 -9.080 1.554 -4.286 754 HB1 ALA 82 HB1 ALA 82 -9.050 1.257 -6.674 755 HB2 ALA 82 HB2 ALA 82 -7.980 2.574 -6.192 756 HB3 ALA 82 HB3 ALA 82 -9.556 2.930 -6.906 757 H LEU 83 H LEU 83 -7.619 3.240 -3.897 758 HA LEU 83 HA LEU 83 -8.610 5.221 -2.212 759 HB2 LEU 83 HB3 LEU 83 -6.308 4.094 -2.295 760 HB3 LEU 83 HB2 LEU 83 -5.904 5.269 -3.529 761 HG LEU 83 HG LEU 83 -6.462 7.067 -1.834 762 HD11 LEU 83 HD11 LEU 83 -7.777 5.616 -0.336 763 HD12 LEU 83 HD12 LEU 83 -6.469 6.453 0.499 764 HD13 LEU 83 HD13 LEU 83 -6.303 4.748 0.083 765 HD21 LEU 83 HD21 LEU 83 -4.301 6.843 -0.700 766 HD22 LEU 83 HD22 LEU 83 -4.177 6.480 -2.421 767 HD23 LEU 83 HD23 LEU 83 -4.194 5.168 -1.243 768 H ASP 84 H ASP 84 -7.775 5.275 -5.591 769 HA ASP 84 HA ASP 84 -7.897 8.138 -5.782 770 HB2 ASP 84 HB3 ASP 84 -7.466 7.868 -8.131 771 HB3 ASP 84 HB2 ASP 84 -6.425 6.767 -7.243 772 H SER 85 H SER 85 -10.266 6.406 -4.947 773 HA SER 85 HA SER 85 -12.484 6.815 -4.834 774 HB2 SER 85 HB3 SER 85 -11.820 9.257 -6.487 775 HB3 SER 85 HB2 SER 85 -13.322 8.989 -5.604 776 HG SER 85 HG SER 85 -11.109 10.067 -4.693 777 H THR 86 H THR 86 -11.408 5.206 -7.031 778 HA THR 86 HA THR 86 -13.783 5.374 -8.750 779 HB THR 86 HB THR 86 -12.389 4.441 -10.614 780 HG1 THR 86 HG1 THR 86 -10.037 5.440 -9.559 781 HG21 THR 86 HG21 THR 86 -11.363 6.591 -11.234 782 HG22 THR 86 HG22 THR 86 -11.619 7.170 -9.589 783 HG23 THR 86 HG23 THR 86 -13.002 6.783 -10.614 784 H GLN 87 H GLN 87 -14.050 3.222 -9.964 785 HA GLN 87 HA GLN 87 -13.514 1.023 -8.082 786 HB2 GLN 87 HB3 GLN 87 -15.595 1.106 -10.274 787 HB3 GLN 87 HB2 GLN 87 -15.446 -0.086 -8.992 788 HG2 GLN 87 HG3 GLN 87 -16.061 2.813 -8.543 789 HG3 GLN 87 HG2 GLN 87 -17.281 1.551 -8.682 790 HE21 GLN 87 HE21 GLN 87 -15.702 -0.428 -7.264 791 HE22 GLN 87 HE22 GLN 87 -15.727 0.027 -5.598 792 H HIS 88 H HIS 88 -11.931 -0.304 -8.766 793 HA HIS 88 HA HIS 88 -11.933 -1.223 -11.465 794 HB2 HIS 88 HB3 HIS 88 -9.619 -0.522 -12.015 795 HB3 HIS 88 HB2 HIS 88 -10.776 0.797 -11.960 796 HD1 HIS 88 HD1 HIS 88 -7.993 -0.712 -9.856 797 HD2 HIS 88 HD2 HIS 88 -10.039 2.866 -10.392 798 HE1 HIS 88 HE1 HIS 88 -6.764 0.991 -8.470 799 HE2 HIS 88 HE2 HIS 88 -8.067 3.144 -8.741 800 H LYS 89 H LYS 89 -9.669 -2.439 -11.835 801 HA LYS 89 HA LYS 89 -9.784 -4.399 -9.708 802 HB2 LYS 89 HB3 LYS 89 -8.759 -5.923 -11.248 803 HB3 LYS 89 HB2 LYS 89 -10.042 -5.068 -12.093 804 HG2 LYS 89 HG3 LYS 89 -8.400 -3.631 -13.162 805 HG3 LYS 89 HG2 LYS 89 -7.102 -4.469 -12.303 806 HD2 LYS 89 HD3 LYS 89 -7.824 -6.585 -13.374 807 HD3 LYS 89 HD2 LYS 89 -9.014 -5.671 -14.303 808 HE2 LYS 89 HE3 LYS 89 -7.276 -4.429 -15.402 809 HE3 LYS 89 HE2 LYS 89 -6.045 -5.156 -14.368 810 HZ1 LYS 89 HZ1 LYS 89 -6.066 -6.228 -16.506 811 HZ2 LYS 89 HZ2 LYS 89 -7.715 -6.576 -16.367 812 HZ3 LYS 89 HZ3 LYS 89 -6.604 -7.321 -15.325 813 H ILE 90 H ILE 90 -7.921 -5.351 -8.851 814 HA ILE 90 HA ILE 90 -5.475 -3.768 -8.888 815 HB ILE 90 HB ILE 90 -7.179 -4.308 -6.469 816 HG12 ILE 90 HG13 ILE 90 -5.815 -1.813 -7.501 817 HG13 ILE 90 HG12 ILE 90 -7.519 -2.200 -7.703 818 HG21 ILE 90 HG21 ILE 90 -5.316 -3.639 -5.059 819 HG22 ILE 90 HG22 ILE 90 -4.268 -3.537 -6.477 820 HG23 ILE 90 HG23 ILE 90 -4.933 -5.100 -5.976 821 HD11 ILE 90 HD11 ILE 90 -7.182 -0.598 -5.927 822 HD12 ILE 90 HD12 ILE 90 -6.112 -1.726 -5.093 823 HD13 ILE 90 HD13 ILE 90 -7.821 -2.116 -5.291 824 H THR 91 H THR 91 -3.752 -5.040 -8.909 825 HA THR 91 HA THR 91 -4.131 -7.894 -8.355 826 HB THR 91 HB THR 91 -1.716 -6.786 -9.720 827 HG1 THR 91 HG1 THR 91 -3.828 -7.534 -11.367 828 HG21 THR 91 HG21 THR 91 -3.299 -9.334 -10.033 829 HG22 THR 91 HG22 THR 91 -1.775 -9.158 -9.164 830 HG23 THR 91 HG23 THR 91 -1.825 -8.931 -10.915 831 H PHE 92 H PHE 92 -3.092 -8.834 -6.727 832 HA PHE 92 HA PHE 92 -0.908 -7.356 -5.414 833 HB2 PHE 92 HB3 PHE 92 -2.983 -9.224 -4.372 834 HB3 PHE 92 HB2 PHE 92 -1.389 -9.290 -3.631 835 HD1 PHE 92 HD1 PHE 92 -4.051 -6.863 -4.570 836 HD2 PHE 92 HD2 PHE 92 -0.890 -7.848 -1.900 837 HE1 PHE 92 HE1 PHE 92 -4.632 -4.920 -3.174 838 HE2 PHE 92 HE2 PHE 92 -1.460 -5.902 -0.507 839 HZ PHE 92 HZ PHE 92 -3.325 -4.456 -1.120 840 H ASP 93 H ASP 93 1.097 -8.217 -5.474 841 HA ASP 93 HA ASP 93 1.438 -10.977 -6.341 842 HB2 ASP 93 HB3 ASP 93 1.205 -9.550 -8.406 843 HB3 ASP 93 HB2 ASP 93 2.651 -8.687 -7.901 844 H LEU 94 H LEU 94 3.263 -11.861 -5.517 845 HA LEU 94 HA LEU 94 5.007 -10.120 -3.950 846 HB2 LEU 94 HB3 LEU 94 4.105 -12.789 -3.685 847 HB3 LEU 94 HB2 LEU 94 5.831 -12.881 -3.970 848 HG LEU 94 HG LEU 94 5.156 -12.852 -1.551 849 HD11 LEU 94 HD11 LEU 94 6.841 -11.206 -0.848 850 HD12 LEU 94 HD12 LEU 94 6.913 -10.606 -2.509 851 HD13 LEU 94 HD13 LEU 94 7.409 -12.260 -2.146 852 HD21 LEU 94 HD21 LEU 94 4.479 -10.776 -0.534 853 HD22 LEU 94 HD22 LEU 94 3.316 -11.239 -1.773 854 HD23 LEU 94 HD23 LEU 94 4.491 -9.968 -2.099 855 H LYS 95 H LYS 95 6.678 -9.223 -4.941 856 HA LYS 95 HA LYS 95 7.428 -10.126 -7.587 857 HB2 LYS 95 HB3 LYS 95 7.227 -7.791 -7.422 858 HB3 LYS 95 HB2 LYS 95 8.040 -7.739 -5.866 859 HG2 LYS 95 HG3 LYS 95 10.165 -8.202 -6.931 860 HG3 LYS 95 HG2 LYS 95 9.367 -8.343 -8.499 861 HD2 LYS 95 HD3 LYS 95 8.821 -6.050 -8.541 862 HD3 LYS 95 HD2 LYS 95 9.180 -5.854 -6.824 863 HE2 LYS 95 HE3 LYS 95 11.257 -6.621 -8.857 864 HE3 LYS 95 HE2 LYS 95 10.901 -4.946 -8.441 865 HZ1 LYS 95 HZ1 LYS 95 12.793 -5.972 -7.206 866 HZ2 LYS 95 HZ2 LYS 95 11.682 -6.985 -6.423 867 HZ3 LYS 95 HZ3 LYS 95 11.591 -5.306 -6.225 868 H ASP 96 H ASP 96 8.889 -9.657 -4.439 869 HA ASP 96 HA ASP 96 10.600 -11.941 -4.809 870 HB2 ASP 96 HB3 ASP 96 12.675 -10.729 -4.251 871 HB3 ASP 96 HB2 ASP 96 11.994 -10.135 -5.759 872 HA PRO 97 HA PRO 97 9.655 -12.618 -0.654 873 HB2 PRO 97 HB3 PRO 97 12.499 -12.939 0.095 874 HB3 PRO 97 HB2 PRO 97 11.166 -14.092 0.201 875 HG2 PRO 97 HG3 PRO 97 13.047 -14.359 -1.664 876 HG3 PRO 97 HG2 PRO 97 11.345 -14.707 -2.027 877 HD2 PRO 97 HD3 PRO 97 12.974 -12.286 -2.703 878 HD3 PRO 97 HD2 PRO 97 11.798 -13.165 -3.701 879 H ASN 98 H ASN 98 11.302 -9.825 -1.337 880 HA ASN 98 HA ASN 98 11.028 -8.942 1.457 881 HB2 ASN 98 HB3 ASN 98 13.408 -9.063 0.831 882 HB3 ASN 98 HB2 ASN 98 13.104 -8.002 -0.539 883 HD21 ASN 98 HD21 ASN 98 13.258 -8.207 2.948 884 HD22 ASN 98 HD22 ASN 98 13.422 -6.506 3.232 885 H THR 99 H THR 99 9.788 -8.671 -1.611 886 HA THR 99 HA THR 99 8.672 -6.039 -0.992 887 HB THR 99 HB THR 99 9.934 -6.686 -3.660 888 HG1 THR 99 HG1 THR 99 11.055 -5.844 -1.461 889 HG21 THR 99 HG21 THR 99 9.402 -4.364 -4.234 890 HG22 THR 99 HG22 THR 99 8.590 -4.161 -2.685 891 HG23 THR 99 HG23 THR 99 7.937 -5.278 -3.882 892 H LEU 100 H LEU 100 6.583 -6.262 -0.976 893 HA LEU 100 HA LEU 100 5.170 -8.047 -2.813 894 HB2 LEU 100 HB3 LEU 100 4.564 -7.844 -0.383 895 HB3 LEU 100 HB2 LEU 100 4.119 -6.179 -0.667 896 HG LEU 100 HG LEU 100 2.734 -8.453 -2.088 897 HD11 LEU 100 HD11 LEU 100 2.032 -7.186 0.560 898 HD12 LEU 100 HD12 LEU 100 2.542 -8.855 0.299 899 HD13 LEU 100 HD13 LEU 100 1.001 -8.292 -0.350 900 HD21 LEU 100 HD21 LEU 100 2.433 -6.138 -2.957 901 HD22 LEU 100 HD22 LEU 100 1.787 -5.675 -1.381 902 HD23 LEU 100 HD23 LEU 100 0.941 -6.868 -2.364 903 H THR 101 H THR 101 3.736 -7.220 -4.477 904 HA THR 101 HA THR 101 3.970 -4.317 -4.893 905 HB THR 101 HB THR 101 3.702 -4.866 -7.373 906 HG1 THR 101 HG1 THR 101 3.820 -7.395 -6.312 907 HG21 THR 101 HG21 THR 101 6.240 -5.722 -5.991 908 HG22 THR 101 HG22 THR 101 5.778 -4.063 -6.356 909 HG23 THR 101 HG23 THR 101 6.092 -5.196 -7.668 910 H GLU 102 H GLU 102 2.149 -3.219 -5.131 911 HA GLU 102 HA GLU 102 -0.352 -4.733 -5.551 912 HB2 GLU 102 HB3 GLU 102 -0.201 -3.600 -3.339 913 HB3 GLU 102 HB2 GLU 102 -0.021 -2.058 -4.163 914 HG2 GLU 102 HG3 GLU 102 -2.243 -2.337 -5.153 915 HG3 GLU 102 HG2 GLU 102 -2.419 -3.876 -4.318 916 H THR 103 H THR 103 -1.019 -4.528 -7.583 917 HA THR 103 HA THR 103 -0.224 -2.132 -9.081 918 HB THR 103 HB THR 103 -1.298 -4.725 -10.194 919 HG1 THR 103 HG1 THR 103 0.882 -4.565 -8.906 920 HG21 THR 103 HG21 THR 103 -0.207 -3.966 -12.257 921 HG22 THR 103 HG22 THR 103 0.303 -2.487 -11.445 922 HG23 THR 103 HG23 THR 103 -1.413 -2.800 -11.709 923 H HIS 104 H HIS 104 -1.724 -0.610 -9.240 924 HA HIS 104 HA HIS 104 -4.551 -1.324 -9.051 925 HB2 HIS 104 HB3 HIS 104 -3.307 1.428 -9.239 926 HB3 HIS 104 HB2 HIS 104 -4.964 1.049 -8.810 927 HD1 HIS 104 HD1 HIS 104 -2.835 2.666 -7.030 928 HD2 HIS 104 HD2 HIS 104 -4.039 -1.300 -6.551 929 HE1 HIS 104 HE1 HIS 104 -2.450 2.110 -4.607 930 HE2 HIS 104 HE2 HIS 104 -3.259 -0.264 -4.316 931 H ILE 105 H ILE 105 -5.588 -1.801 -10.900 932 HA ILE 105 HA ILE 105 -4.834 -0.274 -13.307 933 HB ILE 105 HB ILE 105 -5.894 -3.094 -13.265 934 HG12 ILE 105 HG13 ILE 105 -3.103 -2.020 -13.708 935 HG13 ILE 105 HG12 ILE 105 -3.635 -3.081 -12.410 936 HG21 ILE 105 HG21 ILE 105 -6.579 -1.929 -15.254 937 HG22 ILE 105 HG22 ILE 105 -5.271 -3.034 -15.678 938 HG23 ILE 105 HG23 ILE 105 -4.945 -1.310 -15.507 939 HD11 ILE 105 HD11 ILE 105 -4.034 -4.852 -13.979 940 HD12 ILE 105 HD12 ILE 105 -2.384 -4.251 -14.153 941 HD13 ILE 105 HD13 ILE 105 -3.624 -3.786 -15.321 942 H LYS 106 H LYS 106 -6.340 1.069 -13.859 943 HA LYS 106 HA LYS 106 -8.997 0.978 -12.969 944 HB2 LYS 106 HB3 LYS 106 -7.720 2.538 -15.207 945 HB3 LYS 106 HB2 LYS 106 -9.369 2.796 -14.644 946 HG2 LYS 106 HG3 LYS 106 -8.585 3.421 -12.462 947 HG3 LYS 106 HG2 LYS 106 -6.926 3.015 -12.901 948 HD2 LYS 106 HD3 LYS 106 -6.908 4.802 -14.548 949 HD3 LYS 106 HD2 LYS 106 -8.590 5.184 -14.178 950 HE2 LYS 106 HE3 LYS 106 -8.002 5.813 -11.929 951 HE3 LYS 106 HE2 LYS 106 -6.337 5.292 -12.180 952 HZ1 LYS 106 HZ1 LYS 106 -7.609 7.450 -13.757 953 HZ2 LYS 106 HZ2 LYS 106 -5.963 7.052 -13.686 954 HZ3 LYS 106 HZ3 LYS 106 -6.734 7.732 -12.340 955 H VAL 107 H VAL 107 -10.514 -0.345 -13.531 956 HA VAL 107 HA VAL 107 -10.571 -2.054 -15.691 957 HB VAL 107 HB VAL 107 -13.028 -2.268 -15.319 958 HG11 VAL 107 HG11 VAL 107 -11.212 -2.506 -12.924 959 HG12 VAL 107 HG12 VAL 107 -11.478 -3.730 -14.165 960 HG13 VAL 107 HG13 VAL 107 -12.790 -3.277 -13.077 961 HG21 VAL 107 HG21 VAL 107 -13.485 -0.039 -14.611 962 HG22 VAL 107 HG22 VAL 107 -12.409 -0.219 -13.236 963 HG23 VAL 107 HG23 VAL 107 -13.910 -1.143 -13.304 964 H ASP 108 H ASP 108 -11.379 1.266 -15.525 965 HA ASP 108 HA ASP 108 -12.792 1.289 -18.062 966 HB2 ASP 108 HB3 ASP 108 -11.992 3.473 -16.137 967 HB3 ASP 108 HB2 ASP 108 -12.750 3.802 -17.689 968 H ASP 109 H ASP 109 -9.761 2.566 -16.722 969 HA ASP 109 HA ASP 109 -8.668 2.636 -19.442 970 HB2 ASP 109 HB3 ASP 109 -9.280 4.942 -18.636 971 HB3 ASP 109 HB2 ASP 109 -8.139 4.728 -17.312 972 HA PRO 110 HA PRO 110 -5.972 0.100 -16.808 973 HB2 PRO 110 HB3 PRO 110 -5.309 -1.649 -18.746 974 HB3 PRO 110 HB2 PRO 110 -6.846 -1.735 -17.882 975 HG2 PRO 110 HG3 PRO 110 -6.260 -0.575 -20.574 976 HG3 PRO 110 HG2 PRO 110 -7.604 -1.605 -20.063 977 HD2 PRO 110 HD3 PRO 110 -7.835 1.067 -20.311 978 HD3 PRO 110 HD2 PRO 110 -8.768 0.120 -19.142 979 H THR 111 H THR 111 -5.371 2.360 -19.124 980 HA THR 111 HA THR 111 -2.546 1.695 -19.388 981 HB THR 111 HB THR 111 -2.474 3.810 -20.795 982 HG1 THR 111 HG1 THR 111 -4.805 4.297 -19.835 983 HG21 THR 111 HG21 THR 111 -4.277 1.547 -21.623 984 HG22 THR 111 HG22 THR 111 -2.519 1.578 -21.748 985 HG23 THR 111 HG23 THR 111 -3.492 2.681 -22.722 986 H ASP 112 H ASP 112 -4.664 3.729 -17.583 987 HA ASP 112 HA ASP 112 -2.431 5.285 -16.515 988 HB2 ASP 112 HB3 ASP 112 -4.744 6.278 -17.031 989 HB3 ASP 112 HB2 ASP 112 -5.304 5.421 -15.600 990 H VAL 113 H VAL 113 -1.966 2.759 -16.017 991 HA VAL 113 HA VAL 113 -2.997 1.704 -13.629 992 HB VAL 113 HB VAL 113 -0.886 0.332 -13.612 993 HG11 VAL 113 HG11 VAL 113 -1.559 -1.003 -15.509 994 HG12 VAL 113 HG12 VAL 113 -2.455 0.360 -16.176 995 HG13 VAL 113 HG13 VAL 113 -2.974 -0.383 -14.665 996 HG21 VAL 113 HG21 VAL 113 0.509 0.397 -15.628 997 HG22 VAL 113 HG22 VAL 113 0.595 1.907 -14.722 998 HG23 VAL 113 HG23 VAL 113 -0.383 1.812 -16.187 999 H GLU 114 H GLU 114 -1.312 1.101 -11.836 1000 HA GLU 114 HA GLU 114 0.576 3.145 -11.131 1001 HB2 GLU 114 HB3 GLU 114 -1.616 4.199 -10.551 1002 HB3 GLU 114 HB2 GLU 114 -1.930 2.859 -9.460 1003 HG2 GLU 114 HG3 GLU 114 0.146 3.502 -8.217 1004 HG3 GLU 114 HG2 GLU 114 0.216 4.942 -9.234 1005 H THR 115 H THR 115 2.047 2.317 -9.646 1006 HA THR 115 HA THR 115 1.342 -0.273 -8.455 1007 HB THR 115 HB THR 115 3.956 0.367 -9.833 1008 HG1 THR 115 HG1 THR 115 2.384 -0.170 -11.340 1009 HG21 THR 115 HG21 THR 115 4.296 -1.040 -7.848 1010 HG22 THR 115 HG22 THR 115 4.570 -1.953 -9.332 1011 HG23 THR 115 HG23 THR 115 3.068 -2.162 -8.433 1012 H TYR 116 H TYR 116 1.505 -0.222 -6.370 1013 HA TYR 116 HA TYR 116 3.591 1.415 -5.071 1014 HB2 TYR 116 HB3 TYR 116 1.233 -0.022 -3.813 1015 HB3 TYR 116 HB2 TYR 116 2.391 0.985 -2.966 1016 HD1 TYR 116 HD1 TYR 116 2.033 2.815 -5.789 1017 HD2 TYR 116 HD2 TYR 116 -0.308 1.553 -2.470 1018 HE1 TYR 116 HE1 TYR 116 0.553 4.752 -6.098 1019 HE2 TYR 116 HE2 TYR 116 -1.795 3.484 -2.773 1020 HH TYR 116 HH TYR 116 -1.776 5.386 -5.572 1021 H GLU 117 H GLU 117 5.014 0.238 -3.448 1022 HA GLU 117 HA GLU 117 4.887 -2.654 -3.769 1023 HB2 GLU 117 HB3 GLU 117 7.474 -1.093 -3.746 1024 HB3 GLU 117 HB2 GLU 117 7.264 -2.809 -4.046 1025 HG2 GLU 117 HG3 GLU 117 6.096 -2.249 -6.153 1026 HG3 GLU 117 HG2 GLU 117 6.437 -0.549 -5.851 1027 H TYR 118 H TYR 118 5.082 -3.658 -1.844 1028 HA TYR 118 HA TYR 118 5.669 -1.977 0.499 1029 HB2 TYR 118 HB3 TYR 118 4.201 -4.619 0.353 1030 HB3 TYR 118 HB2 TYR 118 4.438 -3.658 1.801 1031 HD1 TYR 118 HD1 TYR 118 3.072 -1.698 2.221 1032 HD2 TYR 118 HD2 TYR 118 2.623 -3.890 -1.382 1033 HE1 TYR 118 HE1 TYR 118 1.014 -0.492 1.755 1034 HE2 TYR 118 HE2 TYR 118 0.545 -2.682 -1.854 1035 HH TYR 118 HH TYR 118 -0.413 0.032 0.149 1036 H ARG 119 H ARG 119 7.849 -2.151 0.787 1037 HA ARG 119 HA ARG 119 8.905 -4.893 0.941 1038 HB2 ARG 119 HB3 ARG 119 11.069 -4.103 0.339 1039 HB3 ARG 119 HB2 ARG 119 9.931 -3.432 -0.810 1040 HG2 ARG 119 HG3 ARG 119 11.280 -1.633 -0.420 1041 HG3 ARG 119 HG2 ARG 119 10.009 -1.351 0.771 1042 HD2 ARG 119 HD3 ARG 119 12.356 -1.051 1.616 1043 HD3 ARG 119 HD2 ARG 119 11.363 -2.174 2.541 1044 HE ARG 119 HE ARG 119 12.567 -3.924 1.058 1045 HH11 ARG 119 HH11 ARG 119 14.040 -0.959 2.188 1046 HH12 ARG 119 HH12 ARG 119 15.613 -1.666 2.365 1047 HH21 ARG 119 HH21 ARG 119 14.634 -4.842 1.261 1048 HH22 ARG 119 HH22 ARG 119 15.957 -3.862 1.820 1049 H ARG 120 H ARG 120 10.494 -5.346 2.609 1050 HA ARG 120 HA ARG 120 9.783 -3.875 5.059 1051 HB2 ARG 120 HB3 ARG 120 9.081 -6.258 4.943 1052 HB3 ARG 120 HB2 ARG 120 10.765 -6.722 4.760 1053 HG2 ARG 120 HG3 ARG 120 10.142 -7.093 7.023 1054 HG3 ARG 120 HG2 ARG 120 11.215 -5.692 6.986 1055 HD2 ARG 120 HD3 ARG 120 9.332 -4.192 7.176 1056 HD3 ARG 120 HD2 ARG 120 8.204 -5.544 7.069 1057 HE ARG 120 HE ARG 120 9.967 -5.958 9.228 1058 HH11 ARG 120 HH11 ARG 120 7.285 -3.905 8.303 1059 HH12 ARG 120 HH12 ARG 120 6.747 -3.663 9.933 1060 HH21 ARG 120 HH21 ARG 120 9.244 -5.656 11.368 1061 HH22 ARG 120 HH22 ARG 120 7.861 -4.652 11.671 1062 H ASP 121 H ASP 121 11.343 -2.735 6.024 1063 HA ASP 121 HA ASP 121 14.123 -3.612 5.673 1064 HB2 ASP 121 HB3 ASP 121 13.651 -1.666 4.186 1065 HB3 ASP 121 HB2 ASP 121 13.227 -0.727 5.615 1066 H GLY 122 H GLY 122 14.856 -4.168 7.585 1067 HA2 GLY 122 HA3 GLY 122 15.293 -4.146 9.837 1068 HA3 GLY 122 HA2 GLY 122 14.835 -2.447 9.829 1069 H ASP 123 H ASP 123 13.104 -1.935 10.990 1070 HA ASP 123 HA ASP 123 11.102 -4.038 11.463 1071 HB2 ASP 123 HB3 ASP 123 10.626 -3.104 13.613 1072 HB3 ASP 123 HB2 ASP 123 12.370 -3.288 13.500 1073 H TYR 124 H TYR 124 11.498 -1.674 9.448 1074 HA TYR 124 HA TYR 124 8.837 -0.486 9.873 1075 HB2 TYR 124 HB3 TYR 124 11.242 0.588 8.399 1076 HB3 TYR 124 HB2 TYR 124 9.643 1.314 8.300 1077 HD1 TYR 124 HD1 TYR 124 12.524 0.670 10.490 1078 HD2 TYR 124 HD2 TYR 124 8.753 2.597 10.119 1079 HE1 TYR 124 HE1 TYR 124 13.008 1.993 12.509 1080 HE2 TYR 124 HE2 TYR 124 9.224 3.920 12.125 1081 HH TYR 124 HH TYR 124 10.649 3.723 14.168 1082 H LEU 125 H LEU 125 7.310 -0.621 8.328 1083 HA LEU 125 HA LEU 125 7.808 -2.194 5.958 1084 HB2 LEU 125 HB3 LEU 125 5.670 -2.353 7.204 1085 HB3 LEU 125 HB2 LEU 125 5.377 -0.654 6.932 1086 HG LEU 125 HG LEU 125 4.054 -2.319 5.534 1087 HD11 LEU 125 HD11 LEU 125 5.618 -0.186 4.093 1088 HD12 LEU 125 HD12 LEU 125 4.119 0.047 4.994 1089 HD13 LEU 125 HD13 LEU 125 4.124 -0.931 3.528 1090 HD21 LEU 125 HD21 LEU 125 6.663 -2.525 4.046 1091 HD22 LEU 125 HD22 LEU 125 5.110 -3.193 3.539 1092 HD23 LEU 125 HD23 LEU 125 5.906 -3.812 4.985 1093 H VAL 126 H VAL 126 8.632 -1.264 4.161 1094 HA VAL 126 HA VAL 126 8.682 1.672 4.149 1095 HB VAL 126 HB VAL 126 10.588 -0.212 2.751 1096 HG11 VAL 126 HG11 VAL 126 10.294 1.873 1.524 1097 HG12 VAL 126 HG12 VAL 126 11.887 1.828 2.282 1098 HG13 VAL 126 HG13 VAL 126 10.599 2.802 2.992 1099 HG21 VAL 126 HG21 VAL 126 10.903 -0.249 5.163 1100 HG22 VAL 126 HG22 VAL 126 10.959 1.513 5.201 1101 HG23 VAL 126 HG23 VAL 126 12.235 0.609 4.387 1102 H MET 127 H MET 127 7.147 2.410 2.976 1103 HA MET 127 HA MET 127 5.921 1.028 0.821 1104 HB2 MET 127 HB3 MET 127 4.968 2.855 2.375 1105 HB3 MET 127 HB2 MET 127 5.768 3.989 1.296 1106 HG2 MET 127 HG3 MET 127 3.472 3.768 0.664 1107 HG3 MET 127 HG2 MET 127 4.496 3.048 -0.580 1108 HE1 MET 127 HE1 MET 127 1.262 0.869 -0.594 1109 HE2 MET 127 HE2 MET 127 2.225 2.084 -1.439 1110 HE3 MET 127 HE3 MET 127 1.267 2.541 -0.032 1111 H LYS 128 H LYS 128 6.608 0.892 -1.208 1112 HA LYS 128 HA LYS 128 8.666 2.790 -2.097 1113 HB2 LYS 128 HB3 LYS 128 9.766 0.735 -1.735 1114 HB3 LYS 128 HB2 LYS 128 8.429 -0.196 -2.379 1115 HG2 LYS 128 HG3 LYS 128 10.335 -0.253 -3.866 1116 HG3 LYS 128 HG2 LYS 128 8.974 0.566 -4.629 1117 HD2 LYS 128 HD3 LYS 128 9.973 2.702 -4.291 1118 HD3 LYS 128 HD2 LYS 128 11.227 2.016 -3.254 1119 HE2 LYS 128 HE3 LYS 128 12.035 2.510 -5.534 1120 HE3 LYS 128 HE2 LYS 128 12.163 0.804 -5.115 1121 HZ1 LYS 128 HZ1 LYS 128 10.041 0.451 -6.337 1122 HZ2 LYS 128 HZ2 LYS 128 11.322 0.975 -7.317 1123 HZ3 LYS 128 HZ3 LYS 128 10.116 2.068 -6.854 1124 H MET 129 H MET 129 7.174 4.120 -3.084 1125 HA MET 129 HA MET 129 5.526 2.950 -5.228 1126 HB2 MET 129 HB3 MET 129 5.382 5.739 -4.066 1127 HB3 MET 129 HB2 MET 129 4.201 4.965 -5.114 1128 HG2 MET 129 HG3 MET 129 3.432 3.567 -3.427 1129 HG3 MET 129 HG2 MET 129 4.875 3.804 -2.443 1130 HE1 MET 129 HE1 MET 129 2.648 6.572 -4.253 1131 HE2 MET 129 HE2 MET 129 1.488 6.891 -2.962 1132 HE3 MET 129 HE3 MET 129 1.542 5.302 -3.731 1133 H SER 130 H SER 130 5.930 3.510 -7.367 1134 HA SER 130 HA SER 130 7.795 5.689 -7.868 1135 HB2 SER 130 HB3 SER 130 8.328 2.945 -8.990 1136 HB3 SER 130 HB2 SER 130 9.355 4.370 -9.109 1137 HG SER 130 HG SER 130 8.908 3.983 -6.549 1138 H TRP 131 H TRP 131 7.457 6.709 -9.669 1139 HA TRP 131 HA TRP 131 6.052 5.516 -11.912 1140 HB2 TRP 131 HB3 TRP 131 4.291 6.454 -10.336 1141 HB3 TRP 131 HB2 TRP 131 4.983 8.046 -10.643 1142 HD1 TRP 131 HD1 TRP 131 4.247 9.270 -12.808 1143 HE1 TRP 131 HE1 TRP 131 2.654 8.706 -14.749 1144 HE3 TRP 131 HE3 TRP 131 3.417 4.337 -11.754 1145 HZ2 TRP 131 HZ2 TRP 131 1.246 6.460 -15.713 1146 HZ3 TRP 131 HZ3 TRP 131 1.941 3.052 -13.241 1147 HH2 TRP 131 HH2 TRP 131 0.875 4.092 -15.175 1148 H LYS 132 H LYS 132 6.792 6.299 -13.784 1149 HA LYS 132 HA LYS 132 8.319 7.233 -15.155 1150 HB2 LYS 132 HB3 LYS 132 6.860 9.476 -13.893 1151 HB3 LYS 132 HB2 LYS 132 8.321 9.901 -14.771 1152 HG2 LYS 132 HG3 LYS 132 6.345 10.087 -16.184 1153 HG3 LYS 132 HG2 LYS 132 7.442 8.845 -16.781 1154 HD2 LYS 132 HD3 LYS 132 6.055 7.113 -15.809 1155 HD3 LYS 132 HD2 LYS 132 4.986 8.330 -15.109 1156 HE2 LYS 132 HE3 LYS 132 3.970 7.456 -17.101 1157 HE3 LYS 132 HE2 LYS 132 4.465 9.119 -17.396 1158 HZ1 LYS 132 HZ1 LYS 132 5.974 6.714 -18.249 1159 HZ2 LYS 132 HZ2 LYS 132 6.396 8.316 -18.571 1160 HZ3 LYS 132 HZ3 LYS 132 4.996 7.658 -19.252 1161 H GLY 133 H GLY 133 9.583 6.155 -13.000 1162 HA2 GLY 133 HA3 GLY 133 11.815 6.089 -12.370 1163 HA3 GLY 133 HA2 GLY 133 12.023 7.698 -13.039 1164 H VAL 134 H VAL 134 9.552 8.431 -11.281 1165 HA VAL 134 HA VAL 134 11.166 9.416 -9.107 1166 HB VAL 134 HB VAL 134 8.169 9.651 -9.358 1167 HG11 VAL 134 HG11 VAL 134 9.104 10.248 -7.192 1168 HG12 VAL 134 HG12 VAL 134 8.490 11.677 -8.025 1169 HG13 VAL 134 HG13 VAL 134 10.225 11.365 -7.972 1170 HG21 VAL 134 HG21 VAL 134 9.145 10.441 -11.437 1171 HG22 VAL 134 HG22 VAL 134 10.267 11.465 -10.540 1172 HG23 VAL 134 HG23 VAL 134 8.536 11.795 -10.486 1173 H SER 135 H SER 135 11.697 7.982 -7.561 1174 HA SER 135 HA SER 135 9.623 6.182 -6.574 1175 HB2 SER 135 HB3 SER 135 12.008 5.534 -5.310 1176 HB3 SER 135 HB2 SER 135 11.275 4.703 -6.675 1177 HG SER 135 HG SER 135 13.145 6.842 -6.802 1178 H THR 136 H THR 136 8.710 6.492 -4.713 1179 HA THR 136 HA THR 136 9.986 8.333 -2.801 1180 HB THR 136 HB THR 136 7.973 9.376 -3.562 1181 HG1 THR 136 HG1 THR 136 8.316 9.457 -1.292 1182 HG21 THR 136 HG21 THR 136 5.787 8.337 -3.495 1183 HG22 THR 136 HG22 THR 136 6.483 6.855 -2.840 1184 HG23 THR 136 HG23 THR 136 6.878 7.363 -4.482 1185 H SER 137 H SER 137 10.461 7.561 -0.852 1186 HA SER 137 HA SER 137 9.516 4.858 -0.190 1187 HB2 SER 137 HB3 SER 137 11.960 6.315 0.847 1188 HB3 SER 137 HB2 SER 137 11.522 4.645 1.180 1189 HG SER 137 HG SER 137 12.000 5.655 -1.426 1190 H ARG 138 H ARG 138 7.918 4.876 1.238 1191 HA ARG 138 HA ARG 138 7.865 7.043 3.229 1192 HB2 ARG 138 HB3 ARG 138 5.494 5.310 2.626 1193 HB3 ARG 138 HB2 ARG 138 5.538 6.949 3.257 1194 HG2 ARG 138 HG3 ARG 138 6.507 7.584 0.960 1195 HG3 ARG 138 HG2 ARG 138 5.898 6.014 0.437 1196 HD2 ARG 138 HD3 ARG 138 4.218 7.616 -0.057 1197 HD3 ARG 138 HD2 ARG 138 3.661 6.695 1.342 1198 HE ARG 138 HE ARG 138 5.070 9.129 1.980 1199 HH11 ARG 138 HH11 ARG 138 1.980 7.618 1.386 1200 HH12 ARG 138 HH12 ARG 138 1.073 8.905 2.124 1201 HH21 ARG 138 HH21 ARG 138 3.913 10.803 2.986 1202 HH22 ARG 138 HH22 ARG 138 2.177 10.725 3.048 1203 H TYR 139 H TYR 139 8.197 6.538 5.281 1204 HA TYR 139 HA TYR 139 8.704 3.735 5.867 1205 HB2 TYR 139 HB3 TYR 139 9.387 6.261 7.375 1206 HB3 TYR 139 HB2 TYR 139 9.784 4.638 7.936 1207 HD1 TYR 139 HD1 TYR 139 10.390 7.088 5.227 1208 HD2 TYR 139 HD2 TYR 139 11.670 3.483 7.090 1209 HE1 TYR 139 HE1 TYR 139 12.448 7.134 3.885 1210 HE2 TYR 139 HE2 TYR 139 13.734 3.520 5.752 1211 HH TYR 139 HH TYR 139 14.673 6.263 3.904 1212 H TYR 140 H TYR 140 7.042 2.638 6.479 1213 HA TYR 140 HA TYR 140 5.082 3.815 8.311 1214 HB2 TYR 140 HB3 TYR 140 5.042 1.367 6.551 1215 HB3 TYR 140 HB2 TYR 140 3.852 1.616 7.821 1216 HD1 TYR 140 HD1 TYR 140 2.063 3.155 7.549 1217 HD2 TYR 140 HD2 TYR 140 5.109 2.892 4.588 1218 HE1 TYR 140 HE1 TYR 140 0.675 4.473 6.012 1219 HE2 TYR 140 HE2 TYR 140 3.716 4.212 3.039 1220 HH TYR 140 HH TYR 140 1.737 5.185 2.691 1221 H LYS 141 H LYS 141 5.310 3.405 10.395 1222 HA LYS 141 HA LYS 141 6.886 1.087 11.243 1223 HB2 LYS 141 HB3 LYS 141 7.003 2.051 13.384 1224 HB3 LYS 141 HB2 LYS 141 7.318 3.346 12.238 1225 HG2 LYS 141 HG3 LYS 141 5.139 4.232 12.514 1226 HG3 LYS 141 HG2 LYS 141 4.630 2.829 13.463 1227 HD2 LYS 141 HD3 LYS 141 5.151 4.777 14.850 1228 HD3 LYS 141 HD2 LYS 141 6.190 3.396 15.200 1229 HE2 LYS 141 HE3 LYS 141 7.917 4.326 13.736 1230 HE3 LYS 141 HE2 LYS 141 6.905 5.738 13.446 1231 HZ1 LYS 141 HZ1 LYS 141 8.544 6.239 15.102 1232 HZ2 LYS 141 HZ2 LYS 141 8.075 4.918 16.047 1233 HZ3 LYS 141 HZ3 LYS 141 7.021 6.224 15.842 1234 H LYS 142 H LYS 142 5.835 -0.356 12.887 1235 HA LYS 142 HA LYS 142 3.160 -0.932 12.365 1236 HB2 LYS 142 HB3 LYS 142 5.096 -2.183 13.748 1237 HB3 LYS 142 HB2 LYS 142 4.148 -1.554 15.087 1238 HG2 LYS 142 HG3 LYS 142 2.174 -2.677 14.272 1239 HG3 LYS 142 HG2 LYS 142 3.045 -3.230 12.842 1240 HD2 LYS 142 HD3 LYS 142 4.571 -4.504 14.307 1241 HD3 LYS 142 HD2 LYS 142 3.616 -3.997 15.703 1242 HE2 LYS 142 HE3 LYS 142 1.645 -5.096 14.740 1243 HE3 LYS 142 HE2 LYS 142 2.614 -5.614 13.362 1244 HZ1 LYS 142 HZ1 LYS 142 3.995 -6.899 14.866 1245 HZ2 LYS 142 HZ2 LYS 142 2.379 -7.377 14.986 1246 HZ3 LYS 142 HZ3 LYS 142 3.063 -6.405 16.188 1247 H GLN 143 H GLN 143 1.355 -0.832 14.147 1248 HA GLN 143 HA GLN 143 1.287 1.709 15.465 1249 HB2 GLN 143 HB3 GLN 143 -0.471 -0.739 15.601 1250 HB3 GLN 143 HB2 GLN 143 -0.762 0.669 16.609 1251 HG2 GLN 143 HG3 GLN 143 -0.581 0.813 13.623 1252 HG3 GLN 143 HG2 GLN 143 -2.086 0.487 14.470 1253 HE21 GLN 143 HE21 GLN 143 -1.461 2.676 12.779 1254 HE22 GLN 143 HE22 GLN 143 -1.646 4.120 13.709 1255 H21 OLA1001 H21 OLA1001 -0.238 6.365 -1.270 1256 H22 OLA1001 H22 OLA1001 0.909 7.488 -0.532 1257 H31 OLA1001 H31 OLA1001 -0.485 7.695 1.415 1258 H32 OLA1001 H32 OLA1001 -1.601 6.481 0.792 1259 H41 OLA1001 H41 OLA1001 -2.032 7.989 -1.147 1260 H42 OLA1001 H42 OLA1001 -1.064 9.221 -0.329 1261 H51 OLA1001 H51 OLA1001 -2.581 9.304 1.506 1262 H52 OLA1001 H52 OLA1001 -3.448 7.884 0.923 1263 H61 OLA1001 H61 OLA1001 -4.005 9.219 -1.143 1264 H62 OLA1001 H62 OLA1001 -3.379 10.629 -0.286 1265 H71 OLA1001 H71 OLA1001 -5.038 10.444 1.408 1266 H72 OLA1001 H72 OLA1001 -5.568 8.873 0.796 1267 H81 OLA1001 H81 OLA1001 -7.107 10.615 0.128 1268 H82 OLA1001 H82 OLA1001 -6.300 9.914 -1.265 1269 H9 OLA1001 H9 OLA1001 -4.893 12.289 -0.361 1270 H10 OLA1001 H10 OLA1001 -6.000 13.576 -2.015 1271 H111 OLA1001 H111 OLA1001 -7.956 13.015 -3.072 1272 H112 OLA1001 H112 OLA1001 -8.350 11.863 -1.815 1273 H121 OLA1001 H121 OLA1001 -8.225 10.989 -4.169 1274 H122 OLA1001 H122 OLA1001 -7.317 10.094 -2.952 1275 H131 OLA1001 H131 OLA1001 -5.282 11.354 -3.663 1276 H132 OLA1001 H132 OLA1001 -6.232 12.041 -4.978 1277 H141 OLA1001 H141 OLA1001 -5.401 10.278 -6.111 1278 H142 OLA1001 H142 OLA1001 -6.768 9.461 -5.367 1279 H151 OLA1001 H151 OLA1001 -4.855 8.073 -5.058 1280 H152 OLA1001 H152 OLA1001 -5.251 8.789 -3.494 1281 H161 OLA1001 H161 OLA1001 -3.473 10.340 -3.644 1282 H162 OLA1001 H162 OLA1001 -3.216 9.989 -5.354 1283 H171 OLA1001 H171 OLA1001 -2.449 7.751 -4.793 1284 H172 OLA1001 H172 OLA1001 -2.745 8.072 -3.084 1285 H181 OLA1001 H181 OLA1001 -0.783 9.596 -4.791 1286 H182 OLA1001 H182 OLA1001 -0.364 8.254 -3.714 1287 H183 OLA1001 H183 OLA1001 -1.030 9.749 -3.041 Start of MODEL 14 1 H1 MET -11 H1 MET -11 22.745 -18.033 -7.730 2 H2 MET -11 H2 MET -11 22.498 -16.407 -7.362 3 H3 MET -11 H3 MET -11 23.611 -16.840 -8.556 4 HA MET -11 HA MET -11 20.682 -17.213 -8.667 5 HB2 MET -11 HB3 MET -11 22.532 -15.413 -10.245 6 HB3 MET -11 HB2 MET -11 20.815 -15.615 -10.555 7 HG2 MET -11 HG3 MET -11 21.979 -14.549 -7.995 8 HG3 MET -11 HG2 MET -11 21.372 -13.554 -9.315 9 HE1 MET -11 HE1 MET -11 18.799 -14.975 -10.330 10 HE2 MET -11 HE2 MET -11 18.879 -13.257 -9.939 11 HE3 MET -11 HE3 MET -11 17.567 -14.247 -9.299 12 H ARG -10 H ARG -10 19.975 -18.678 -10.067 13 HA ARG -10 HA ARG -10 21.542 -19.555 -12.318 14 HB2 ARG -10 HB3 ARG -10 22.590 -20.914 -10.619 15 HB3 ARG -10 HB2 ARG -10 21.028 -21.402 -9.980 16 HG2 ARG -10 HG3 ARG -10 22.136 -23.162 -11.305 17 HG3 ARG -10 HG2 ARG -10 20.563 -22.697 -11.950 18 HD2 ARG -10 HD3 ARG -10 22.292 -22.997 -13.695 19 HD3 ARG -10 HD2 ARG -10 21.596 -21.379 -13.670 20 HE ARG -10 HE ARG -10 24.020 -21.621 -12.138 21 HH11 ARG -10 HH11 ARG -10 22.675 -21.082 -15.319 22 HH12 ARG -10 HH12 ARG -10 24.055 -20.211 -15.906 23 HH21 ARG -10 HH21 ARG -10 25.849 -20.447 -12.898 24 HH22 ARG -10 HH22 ARG -10 25.863 -19.849 -14.526 25 H GLY -9 H GLY -9 18.776 -20.188 -10.199 26 HA2 GLY -9 HA3 GLY -9 16.848 -19.890 -12.190 27 HA3 GLY -9 HA2 GLY -9 17.245 -21.599 -12.100 28 H SER -8 H SER -8 16.447 -18.879 -9.968 29 HA SER -8 HA SER -8 15.367 -20.626 -7.966 30 HB2 SER -8 HB3 SER -8 15.152 -17.617 -8.224 31 HB3 SER -8 HB2 SER -8 14.808 -18.568 -6.777 32 HG SER -8 HG SER -8 17.214 -19.274 -7.546 33 H HIS -7 H HIS -7 13.806 -21.772 -9.101 34 HA HIS -7 HA HIS -7 11.703 -20.487 -10.549 35 HB2 HIS -7 HB3 HIS -7 12.104 -23.328 -9.618 36 HB3 HIS -7 HB2 HIS -7 10.685 -22.812 -10.520 37 HD1 HIS -7 HD1 HIS -7 13.621 -24.539 -11.126 38 HD2 HIS -7 HD2 HIS -7 11.818 -21.305 -13.015 39 HE1 HIS -7 HE1 HIS -7 14.553 -24.513 -13.460 40 HE2 HIS -7 HE2 HIS -7 13.306 -22.664 -14.632 41 H HIS -6 H HIS -6 10.596 -19.106 -9.242 42 HA HIS -6 HA HIS -6 9.582 -19.836 -6.678 43 HB2 HIS -6 HB3 HIS -6 8.745 -17.605 -8.547 44 HB3 HIS -6 HB2 HIS -6 8.221 -17.769 -6.876 45 HD1 HIS -6 HD1 HIS -6 10.183 -15.587 -8.500 46 HD2 HIS -6 HD2 HIS -6 11.091 -18.226 -5.420 47 HE1 HIS -6 HE1 HIS -6 12.214 -14.629 -7.366 48 HE2 HIS -6 HE2 HIS -6 12.689 -16.193 -5.449 49 H HIS -5 H HIS -5 8.551 -21.784 -6.991 50 HA HIS -5 HA HIS -5 6.359 -21.936 -8.894 51 HB2 HIS -5 HB3 HIS -5 6.293 -24.356 -8.207 52 HB3 HIS -5 HB2 HIS -5 7.805 -23.835 -8.936 53 HD1 HIS -5 HD1 HIS -5 9.880 -23.609 -7.314 54 HD2 HIS -5 HD2 HIS -5 6.485 -25.322 -5.624 55 HE1 HIS -5 HE1 HIS -5 10.656 -24.696 -5.184 56 HE2 HIS -5 HE2 HIS -5 8.565 -25.610 -4.117 57 H HIS -4 H HIS -4 4.406 -21.393 -8.328 58 HA HIS -4 HA HIS -4 3.625 -21.660 -5.509 59 HB2 HIS -4 HB3 HIS -4 1.938 -19.801 -6.112 60 HB3 HIS -4 HB2 HIS -4 3.616 -19.356 -5.866 61 HD1 HIS -4 HD1 HIS -4 4.903 -18.425 -7.867 62 HD2 HIS -4 HD2 HIS -4 1.014 -19.586 -8.781 63 HE1 HIS -4 HE1 HIS -4 4.449 -17.524 -10.173 64 HE2 HIS -4 HE2 HIS -4 2.139 -18.351 -10.752 65 H HIS -3 H HIS -3 2.629 -23.573 -5.495 66 HA HIS -3 HA HIS -3 0.119 -23.736 -7.020 67 HB2 HIS -3 HB3 HIS -3 2.140 -25.952 -6.617 68 HB3 HIS -3 HB2 HIS -3 0.475 -26.250 -7.102 69 HD1 HIS -3 HD1 HIS -3 -0.057 -26.041 -9.545 70 HD2 HIS -3 HD2 HIS -3 3.684 -24.510 -8.589 71 HE1 HIS -3 HE1 HIS -3 1.053 -25.552 -11.745 72 HE2 HIS -3 HE2 HIS -3 3.375 -24.786 -11.143 73 H HIS -2 H HIS -2 0.537 -22.727 -4.465 74 HA HIS -2 HA HIS -2 -0.429 -24.845 -2.653 75 HB2 HIS -2 HB3 HIS -2 1.771 -23.774 -2.095 76 HB3 HIS -2 HB2 HIS -2 0.948 -22.230 -1.964 77 HD1 HIS -2 HD1 HIS -2 0.246 -21.614 0.326 78 HD2 HIS -2 HD2 HIS -2 0.696 -25.725 -0.100 79 HE1 HIS -2 HE1 HIS -2 -0.086 -22.572 2.627 80 HE2 HIS -2 HE2 HIS -2 0.287 -25.047 2.364 81 H GLY -1 H GLY -1 -1.925 -23.105 -4.584 82 HA2 GLY -1 HA3 GLY -1 -3.988 -22.049 -4.584 83 HA3 GLY -1 HA2 GLY -1 -4.012 -22.179 -2.829 84 H SER 0 H SER 0 -2.078 -20.834 -1.871 85 HA SER 0 HA SER 0 -1.544 -18.365 -3.291 86 HB2 SER 0 HB3 SER 0 -2.841 -18.339 -0.551 87 HB3 SER 0 HB2 SER 0 -2.346 -16.932 -1.488 88 HG SER 0 HG SER 0 -3.891 -18.222 -3.101 89 H LYS 1 H LYS 1 0.504 -17.666 -2.802 90 HA LYS 1 HA LYS 1 2.162 -19.065 -0.982 91 HB2 LYS 1 HB3 LYS 1 3.181 -17.843 -2.788 92 HB3 LYS 1 HB2 LYS 1 2.453 -16.335 -2.261 93 HG2 LYS 1 HG3 LYS 1 3.802 -16.666 -0.110 94 HG3 LYS 1 HG2 LYS 1 4.706 -17.872 -1.021 95 HD2 LYS 1 HD3 LYS 1 4.331 -15.065 -2.026 96 HD3 LYS 1 HD2 LYS 1 5.645 -15.495 -0.936 97 HE2 LYS 1 HE3 LYS 1 6.547 -15.581 -3.109 98 HE3 LYS 1 HE2 LYS 1 6.302 -17.256 -2.624 99 HZ1 LYS 1 HZ1 LYS 1 5.611 -16.759 -4.924 100 HZ2 LYS 1 HZ2 LYS 1 4.414 -15.726 -4.330 101 HZ3 LYS 1 HZ3 LYS 1 4.357 -17.378 -3.978 102 H THR 2 H THR 2 2.649 -18.615 1.159 103 HA THR 2 HA THR 2 0.605 -17.060 2.474 104 HB THR 2 HB THR 2 2.835 -18.289 4.015 105 HG1 THR 2 HG1 THR 2 0.624 -19.785 3.003 106 HG21 THR 2 HG21 THR 2 1.055 -17.051 5.158 107 HG22 THR 2 HG22 THR 2 0.994 -18.765 5.572 108 HG23 THR 2 HG23 THR 2 -0.157 -18.097 4.412 109 H LEU 3 H LEU 3 0.780 -15.078 3.068 110 HA LEU 3 HA LEU 3 2.949 -13.420 2.557 111 HB2 LEU 3 HB3 LEU 3 0.429 -13.165 4.048 112 HB3 LEU 3 HB2 LEU 3 1.698 -12.063 4.542 113 HG LEU 3 HG LEU 3 0.317 -12.248 1.881 114 HD11 LEU 3 HD11 LEU 3 0.017 -9.838 2.299 115 HD12 LEU 3 HD12 LEU 3 0.843 -10.026 3.847 116 HD13 LEU 3 HD13 LEU 3 -0.698 -10.838 3.563 117 HD21 LEU 3 HD21 LEU 3 2.632 -12.126 1.286 118 HD22 LEU 3 HD22 LEU 3 2.935 -10.897 2.514 119 HD23 LEU 3 HD23 LEU 3 1.943 -10.514 1.107 120 HA PRO 4 HA PRO 4 5.735 -14.269 5.959 121 HB2 PRO 4 HB3 PRO 4 6.826 -11.657 5.080 122 HB3 PRO 4 HB2 PRO 4 7.652 -13.205 5.283 123 HG2 PRO 4 HG3 PRO 4 7.123 -12.219 2.853 124 HG3 PRO 4 HG2 PRO 4 7.037 -13.959 3.187 125 HD2 PRO 4 HD3 PRO 4 4.822 -11.969 2.901 126 HD3 PRO 4 HD2 PRO 4 4.902 -13.660 2.363 127 H ASP 5 H ASP 5 5.390 -13.753 7.993 128 HA ASP 5 HA ASP 5 3.523 -11.985 8.953 129 HB2 ASP 5 HB3 ASP 5 4.362 -13.751 10.340 130 HB3 ASP 5 HB2 ASP 5 5.993 -13.097 10.289 131 H LYS 6 H LYS 6 6.818 -11.327 8.075 132 HA LYS 6 HA LYS 6 7.261 -8.900 9.333 133 HB2 LYS 6 HB3 LYS 6 8.158 -9.813 6.599 134 HB3 LYS 6 HB2 LYS 6 8.815 -8.425 7.452 135 HG2 LYS 6 HG3 LYS 6 8.916 -11.258 8.460 136 HG3 LYS 6 HG2 LYS 6 10.227 -10.441 7.611 137 HD2 LYS 6 HD3 LYS 6 10.279 -8.738 9.402 138 HD3 LYS 6 HD2 LYS 6 9.025 -9.636 10.261 139 HE2 LYS 6 HE3 LYS 6 10.511 -11.576 10.392 140 HE3 LYS 6 HE2 LYS 6 11.760 -10.681 9.529 141 HZ1 LYS 6 HZ1 LYS 6 11.855 -9.113 11.357 142 HZ2 LYS 6 HZ2 LYS 6 12.137 -10.681 11.916 143 HZ3 LYS 6 HZ3 LYS 6 10.638 -9.945 12.179 144 H PHE 7 H PHE 7 5.053 -9.569 6.673 145 HA PHE 7 HA PHE 7 4.801 -6.679 6.223 146 HB2 PHE 7 HB3 PHE 7 3.708 -8.998 4.612 147 HB3 PHE 7 HB2 PHE 7 3.497 -7.298 4.216 148 HD1 PHE 7 HD1 PHE 7 6.212 -6.255 4.746 149 HD2 PHE 7 HD2 PHE 7 4.947 -9.847 2.841 150 HE1 PHE 7 HE1 PHE 7 8.299 -6.300 3.445 151 HE2 PHE 7 HE2 PHE 7 7.033 -9.896 1.541 152 HZ PHE 7 HZ PHE 7 8.709 -8.131 1.838 153 H LEU 8 H LEU 8 3.534 -8.912 8.225 154 HA LEU 8 HA LEU 8 0.742 -8.162 7.795 155 HB2 LEU 8 HB3 LEU 8 1.967 -10.436 9.348 156 HB3 LEU 8 HB2 LEU 8 0.245 -10.109 9.256 157 HG LEU 8 HG LEU 8 1.992 -10.735 6.877 158 HD11 LEU 8 HD11 LEU 8 0.015 -12.504 8.297 159 HD12 LEU 8 HD12 LEU 8 1.769 -12.654 8.384 160 HD13 LEU 8 HD13 LEU 8 0.940 -12.902 6.848 161 HD21 LEU 8 HD21 LEU 8 -0.208 -11.048 5.765 162 HD22 LEU 8 HD22 LEU 8 0.138 -9.389 6.251 163 HD23 LEU 8 HD23 LEU 8 -0.978 -10.371 7.204 164 H GLY 9 H GLY 9 -0.582 -7.599 9.539 165 HA2 GLY 9 HA3 GLY 9 -0.685 -7.175 11.995 166 HA3 GLY 9 HA2 GLY 9 0.882 -6.403 11.810 167 H THR 10 H THR 10 0.815 -4.266 11.745 168 HA THR 10 HA THR 10 -0.956 -2.855 10.037 169 HB THR 10 HB THR 10 -2.493 -3.366 11.958 170 HG1 THR 10 HG1 THR 10 -2.749 -0.826 12.277 171 HG21 THR 10 HG21 THR 10 -0.591 -1.569 13.408 172 HG22 THR 10 HG22 THR 10 -0.947 -3.255 13.781 173 HG23 THR 10 HG23 THR 10 -2.188 -2.019 14.004 174 H PHE 11 H PHE 11 -0.150 -0.928 9.574 175 HA PHE 11 HA PHE 11 2.091 0.077 11.198 176 HB2 PHE 11 HB3 PHE 11 2.002 -0.035 8.174 177 HB3 PHE 11 HB2 PHE 11 3.336 0.546 9.162 178 HD1 PHE 11 HD1 PHE 11 4.683 -1.047 10.478 179 HD2 PHE 11 HD2 PHE 11 1.687 -2.350 7.750 180 HE1 PHE 11 HE1 PHE 11 5.670 -3.300 10.472 181 HE2 PHE 11 HE2 PHE 11 2.665 -4.606 7.746 182 HZ PHE 11 HZ PHE 11 4.661 -5.084 9.107 183 H LYS 12 H LYS 12 1.862 2.207 11.772 184 HA LYS 12 HA LYS 12 0.168 3.872 10.043 185 HB2 LYS 12 HB3 LYS 12 0.273 5.553 11.803 186 HB3 LYS 12 HB2 LYS 12 -0.268 4.016 12.444 187 HG2 LYS 12 HG3 LYS 12 1.173 4.678 14.079 188 HG3 LYS 12 HG2 LYS 12 2.255 3.722 13.070 189 HD2 LYS 12 HD3 LYS 12 3.354 5.779 13.679 190 HD3 LYS 12 HD2 LYS 12 2.988 5.811 11.955 191 HE2 LYS 12 HE3 LYS 12 0.986 7.173 12.441 192 HE3 LYS 12 HE2 LYS 12 1.431 7.184 14.146 193 HZ1 LYS 12 HZ1 LYS 12 3.500 8.297 13.543 194 HZ2 LYS 12 HZ2 LYS 12 2.157 9.198 13.053 195 HZ3 LYS 12 HZ3 LYS 12 3.036 8.309 11.915 196 H LEU 13 H LEU 13 0.975 5.451 8.750 197 HA LEU 13 HA LEU 13 3.612 5.326 7.883 198 HB2 LEU 13 HB3 LEU 13 1.563 6.269 6.700 199 HB3 LEU 13 HB2 LEU 13 1.852 7.746 7.593 200 HG LEU 13 HG LEU 13 4.011 6.575 5.868 201 HD11 LEU 13 HD11 LEU 13 1.757 8.361 4.987 202 HD12 LEU 13 HD12 LEU 13 2.077 6.717 4.435 203 HD13 LEU 13 HD13 LEU 13 3.206 8.015 4.046 204 HD21 LEU 13 HD21 LEU 13 4.572 8.409 7.411 205 HD22 LEU 13 HD22 LEU 13 3.336 9.408 6.644 206 HD23 LEU 13 HD23 LEU 13 4.741 8.877 5.718 207 H GLU 14 H GLU 14 5.475 6.209 8.510 208 HA GLU 14 HA GLU 14 5.440 7.959 10.854 209 HB2 GLU 14 HB3 GLU 14 6.770 5.747 10.658 210 HB3 GLU 14 HB2 GLU 14 7.859 6.648 9.620 211 HG2 GLU 14 HG3 GLU 14 7.193 7.563 12.396 212 HG3 GLU 14 HG2 GLU 14 8.481 6.408 12.075 213 H ARG 15 H ARG 15 7.039 7.689 7.666 214 HA ARG 15 HA ARG 15 7.047 10.569 7.388 215 HB2 ARG 15 HB3 ARG 15 9.440 10.819 7.185 216 HB3 ARG 15 HB2 ARG 15 9.087 10.082 8.744 217 HG2 ARG 15 HG3 ARG 15 9.596 7.870 7.767 218 HG3 ARG 15 HG2 ARG 15 10.059 8.680 6.267 219 HD2 ARG 15 HD3 ARG 15 11.787 9.919 7.499 220 HD3 ARG 15 HD2 ARG 15 11.332 9.070 8.974 221 HE ARG 15 HE ARG 15 12.776 7.973 6.692 222 HH11 ARG 15 HH11 ARG 15 11.217 7.403 9.786 223 HH12 ARG 15 HH12 ARG 15 12.052 5.906 10.063 224 HH21 ARG 15 HH21 ARG 15 13.850 5.990 7.047 225 HH22 ARG 15 HH22 ARG 15 13.539 5.094 8.500 226 H ASP 16 H ASP 16 8.329 11.128 5.278 227 HA ASP 16 HA ASP 16 8.259 9.001 3.293 228 HB2 ASP 16 HB3 ASP 16 6.785 10.220 1.784 229 HB3 ASP 16 HB2 ASP 16 5.964 9.902 3.308 230 H GLU 17 H GLU 17 9.229 9.664 1.246 231 HA GLU 17 HA GLU 17 10.958 12.037 1.429 232 HB2 GLU 17 HB3 GLU 17 11.800 9.184 0.939 233 HB3 GLU 17 HB2 GLU 17 12.778 10.539 0.400 234 HG2 GLU 17 HG3 GLU 17 11.935 10.212 3.261 235 HG3 GLU 17 HG2 GLU 17 13.397 9.470 2.611 236 H ASN 18 H ASN 18 10.722 13.234 -0.362 237 HA ASN 18 HA ASN 18 10.662 13.858 -2.549 238 HB2 ASN 18 HB3 ASN 18 12.323 11.854 -2.698 239 HB3 ASN 18 HB2 ASN 18 10.975 11.005 -3.443 240 HD21 ASN 18 HD21 ASN 18 10.307 11.588 -5.491 241 HD22 ASN 18 HD22 ASN 18 11.236 12.637 -6.508 242 H PHE 19 H PHE 19 8.319 13.094 -1.095 243 HA PHE 19 HA PHE 19 6.594 11.528 -2.760 244 HB2 PHE 19 HB3 PHE 19 6.387 11.744 -0.254 245 HB3 PHE 19 HB2 PHE 19 5.751 13.365 -0.517 246 HD1 PHE 19 HD1 PHE 19 5.191 9.920 -1.821 247 HD2 PHE 19 HD2 PHE 19 3.468 13.572 -0.482 248 HE1 PHE 19 HE1 PHE 19 2.947 8.970 -2.139 249 HE2 PHE 19 HE2 PHE 19 1.218 12.629 -0.794 250 HZ PHE 19 HZ PHE 19 0.959 10.322 -1.629 251 H ASP 20 H ASP 20 6.917 14.994 -2.085 252 HA ASP 20 HA ASP 20 4.863 16.013 -3.602 253 HB2 ASP 20 HB3 ASP 20 6.149 17.487 -2.253 254 HB3 ASP 20 HB2 ASP 20 7.641 17.062 -3.079 255 H GLU 21 H GLU 21 8.212 15.509 -4.751 256 HA GLU 21 HA GLU 21 7.752 16.171 -7.407 257 HB2 GLU 21 HB3 GLU 21 9.786 14.319 -6.182 258 HB3 GLU 21 HB2 GLU 21 9.754 14.676 -7.906 259 HG2 GLU 21 HG3 GLU 21 9.947 17.086 -7.345 260 HG3 GLU 21 HG2 GLU 21 10.145 16.617 -5.662 261 H TYR 22 H TYR 22 7.356 13.027 -5.802 262 HA TYR 22 HA TYR 22 6.791 11.526 -8.091 263 HB2 TYR 22 HB3 TYR 22 7.114 10.367 -6.034 264 HB3 TYR 22 HB2 TYR 22 5.808 11.254 -5.251 265 HD1 TYR 22 HD1 TYR 22 3.692 10.306 -5.144 266 HD2 TYR 22 HD2 TYR 22 6.441 8.905 -8.074 267 HE1 TYR 22 HE1 TYR 22 2.129 8.506 -5.743 268 HE2 TYR 22 HE2 TYR 22 4.885 7.105 -8.680 269 HH TYR 22 HH TYR 22 1.683 6.854 -7.178 270 H LEU 23 H LEU 23 4.671 13.568 -6.119 271 HA LEU 23 HA LEU 23 2.250 12.789 -7.372 272 HB2 LEU 23 HB3 LEU 23 2.965 15.331 -5.910 273 HB3 LEU 23 HB2 LEU 23 1.338 14.877 -6.384 274 HG LEU 23 HG LEU 23 3.085 13.372 -4.439 275 HD11 LEU 23 HD11 LEU 23 2.250 15.484 -3.549 276 HD12 LEU 23 HD12 LEU 23 1.463 14.108 -2.776 277 HD13 LEU 23 HD13 LEU 23 0.609 15.034 -4.012 278 HD21 LEU 23 HD21 LEU 23 0.248 12.886 -5.339 279 HD22 LEU 23 HD22 LEU 23 1.073 12.031 -4.036 280 HD23 LEU 23 HD23 LEU 23 1.647 11.870 -5.694 281 H LYS 24 H LYS 24 4.609 15.308 -8.030 282 HA LYS 24 HA LYS 24 3.146 16.690 -10.016 283 HB2 LYS 24 HB3 LYS 24 6.149 16.411 -9.760 284 HB3 LYS 24 HB2 LYS 24 5.290 17.658 -10.652 285 HG2 LYS 24 HG3 LYS 24 4.364 18.534 -8.587 286 HG3 LYS 24 HG2 LYS 24 5.158 17.251 -7.673 287 HD2 LYS 24 HD3 LYS 24 6.490 19.217 -7.460 288 HD3 LYS 24 HD2 LYS 24 7.346 18.111 -8.534 289 HE2 LYS 24 HE3 LYS 24 6.410 19.360 -10.467 290 HE3 LYS 24 HE2 LYS 24 5.710 20.512 -9.333 291 HZ1 LYS 24 HZ1 LYS 24 7.779 21.357 -10.161 292 HZ2 LYS 24 HZ2 LYS 24 8.598 19.946 -9.722 293 HZ3 LYS 24 HZ3 LYS 24 7.977 20.968 -8.525 294 H ALA 25 H ALA 25 5.536 14.107 -10.153 295 HA ALA 25 HA ALA 25 5.586 13.659 -12.908 296 HB1 ALA 25 HB1 ALA 25 7.144 12.630 -11.307 297 HB2 ALA 25 HB2 ALA 25 6.419 11.442 -12.390 298 HB3 ALA 25 HB3 ALA 25 5.842 11.591 -10.730 299 H ARG 26 H ARG 26 3.402 12.444 -10.442 300 HA ARG 26 HA ARG 26 1.960 10.627 -12.063 301 HB2 ARG 26 HB3 ARG 26 1.263 12.070 -9.516 302 HB3 ARG 26 HB2 ARG 26 0.157 10.944 -10.286 303 HG2 ARG 26 HG3 ARG 26 2.927 10.287 -9.317 304 HG3 ARG 26 HG2 ARG 26 1.424 9.911 -8.472 305 HD2 ARG 26 HD3 ARG 26 2.355 8.846 -11.130 306 HD3 ARG 26 HD2 ARG 26 2.153 7.948 -9.627 307 HE ARG 26 HE ARG 26 -0.286 9.163 -10.480 308 HH11 ARG 26 HH11 ARG 26 1.819 6.408 -10.910 309 HH12 ARG 26 HH12 ARG 26 0.578 5.413 -11.613 310 HH21 ARG 26 HH21 ARG 26 -1.927 7.853 -11.367 311 HH22 ARG 26 HH22 ARG 26 -1.562 6.229 -11.853 312 H GLY 27 H GLY 27 1.976 14.020 -11.983 313 HA2 GLY 27 HA3 GLY 27 0.859 15.366 -13.555 314 HA3 GLY 27 HA2 GLY 27 -0.313 14.078 -13.791 315 H TYR 28 H TYR 28 0.391 14.760 -10.518 316 HA TYR 28 HA TYR 28 -2.248 15.897 -10.174 317 HB2 TYR 28 HB3 TYR 28 -0.087 15.125 -8.209 318 HB3 TYR 28 HB2 TYR 28 -1.596 15.886 -7.724 319 HD1 TYR 28 HD1 TYR 28 0.001 12.854 -7.891 320 HD2 TYR 28 HD2 TYR 28 -3.728 14.626 -8.910 321 HE1 TYR 28 HE1 TYR 28 -1.063 10.641 -7.817 322 HE2 TYR 28 HE2 TYR 28 -4.807 12.418 -8.832 323 HH TYR 28 HH TYR 28 -3.317 9.692 -7.481 324 H GLY 29 H GLY 29 -2.674 17.977 -10.056 325 HA2 GLY 29 HA3 GLY 29 -0.564 19.910 -10.304 326 HA3 GLY 29 HA2 GLY 29 -2.291 20.241 -10.254 327 H TRP 30 H TRP 30 -1.150 22.036 -8.948 328 HA TRP 30 HA TRP 30 0.043 21.660 -6.497 329 HB2 TRP 30 HB3 TRP 30 -0.002 23.814 -7.580 330 HB3 TRP 30 HB2 TRP 30 -1.754 23.897 -7.440 331 HD1 TRP 30 HD1 TRP 30 1.413 24.095 -5.247 332 HE1 TRP 30 HE1 TRP 30 0.819 25.406 -3.111 333 HE3 TRP 30 HE3 TRP 30 -3.609 24.583 -5.989 334 HZ2 TRP 30 HZ2 TRP 30 -1.503 26.504 -1.902 335 HZ3 TRP 30 HZ3 TRP 30 -4.950 25.767 -4.307 336 HH2 TRP 30 HH2 TRP 30 -3.921 26.704 -2.310 337 H ILE 31 H ILE 31 -3.443 22.090 -7.126 338 HA ILE 31 HA ILE 31 -4.298 22.097 -4.490 339 HB ILE 31 HB ILE 31 -5.596 21.586 -7.095 340 HG12 ILE 31 HG13 ILE 31 -5.384 23.823 -6.041 341 HG13 ILE 31 HG12 ILE 31 -7.060 23.356 -6.324 342 HG21 ILE 31 HG21 ILE 31 -7.734 20.958 -6.054 343 HG22 ILE 31 HG22 ILE 31 -6.912 20.803 -4.500 344 HG23 ILE 31 HG23 ILE 31 -6.495 19.718 -5.830 345 HD11 ILE 31 HD11 ILE 31 -5.590 23.199 -3.710 346 HD12 ILE 31 HD12 ILE 31 -7.260 22.710 -3.983 347 HD13 ILE 31 HD13 ILE 31 -6.798 24.403 -4.158 348 H MET 32 H MET 32 -4.288 19.286 -6.691 349 HA MET 32 HA MET 32 -5.083 17.423 -4.802 350 HB2 MET 32 HB3 MET 32 -3.450 17.141 -7.303 351 HB3 MET 32 HB2 MET 32 -3.806 15.754 -6.279 352 HG2 MET 32 HG3 MET 32 -5.706 17.473 -7.810 353 HG3 MET 32 HG2 MET 32 -5.446 15.747 -7.946 354 HE1 MET 32 HE1 MET 32 -5.966 14.087 -5.798 355 HE2 MET 32 HE2 MET 32 -6.838 14.642 -4.365 356 HE3 MET 32 HE3 MET 32 -5.213 15.243 -4.697 357 H ARG 33 H ARG 33 -1.845 18.609 -5.561 358 HA ARG 33 HA ARG 33 -0.498 16.764 -3.894 359 HB2 ARG 33 HB3 ARG 33 0.365 19.529 -4.751 360 HB3 ARG 33 HB2 ARG 33 1.408 18.322 -4.010 361 HG2 ARG 33 HG3 ARG 33 0.856 16.815 -5.944 362 HG3 ARG 33 HG2 ARG 33 0.080 18.203 -6.703 363 HD2 ARG 33 HD3 ARG 33 2.974 17.953 -5.908 364 HD3 ARG 33 HD2 ARG 33 2.325 17.977 -7.545 365 HE ARG 33 HE ARG 33 2.431 20.264 -5.697 366 HH11 ARG 33 HH11 ARG 33 1.934 18.991 -8.927 367 HH12 ARG 33 HH12 ARG 33 2.136 20.532 -9.697 368 HH21 ARG 33 HH21 ARG 33 2.666 22.286 -6.705 369 HH22 ARG 33 HH22 ARG 33 2.534 22.413 -8.430 370 H GLN 34 H GLN 34 -2.241 19.704 -3.235 371 HA GLN 34 HA GLN 34 -1.127 20.083 -0.614 372 HB2 GLN 34 HB3 GLN 34 -3.709 21.123 -1.803 373 HB3 GLN 34 HB2 GLN 34 -3.025 21.637 -0.267 374 HG2 GLN 34 HG3 GLN 34 -1.936 22.102 -3.026 375 HG3 GLN 34 HG2 GLN 34 -2.491 23.298 -1.857 376 HE21 GLN 34 HE21 GLN 34 0.093 21.246 -2.848 377 HE22 GLN 34 HE22 GLN 34 1.293 21.868 -1.769 378 H VAL 35 H VAL 35 -3.719 18.194 -1.984 379 HA VAL 35 HA VAL 35 -4.860 17.531 0.577 380 HB VAL 35 HB VAL 35 -5.334 16.470 -2.217 381 HG11 VAL 35 HG11 VAL 35 -6.865 15.847 0.297 382 HG12 VAL 35 HG12 VAL 35 -5.831 14.728 -0.589 383 HG13 VAL 35 HG13 VAL 35 -7.306 15.344 -1.335 384 HG21 VAL 35 HG21 VAL 35 -6.062 18.764 -1.893 385 HG22 VAL 35 HG22 VAL 35 -6.979 18.287 -0.464 386 HG23 VAL 35 HG23 VAL 35 -7.451 17.689 -2.055 387 H ILE 36 H ILE 36 -3.493 15.562 -2.029 388 HA ILE 36 HA ILE 36 -3.165 13.157 -0.814 389 HB ILE 36 HB ILE 36 -1.245 14.374 -2.786 390 HG12 ILE 36 HG13 ILE 36 -3.817 12.851 -3.260 391 HG13 ILE 36 HG12 ILE 36 -3.677 14.598 -3.377 392 HG21 ILE 36 HG21 ILE 36 -2.049 11.535 -2.187 393 HG22 ILE 36 HG22 ILE 36 -0.486 12.274 -1.825 394 HG23 ILE 36 HG23 ILE 36 -0.987 12.044 -3.501 395 HD11 ILE 36 HD11 ILE 36 -2.308 12.560 -5.102 396 HD12 ILE 36 HD12 ILE 36 -2.034 14.301 -5.186 397 HD13 ILE 36 HD13 ILE 36 -3.626 13.642 -5.562 398 H LYS 37 H LYS 37 -0.884 15.894 -0.602 399 HA LYS 37 HA LYS 37 1.141 14.408 0.755 400 HB2 LYS 37 HB3 LYS 37 0.672 17.301 0.185 401 HB3 LYS 37 HB2 LYS 37 1.883 16.850 1.372 402 HG2 LYS 37 HG3 LYS 37 3.219 15.787 -0.213 403 HG3 LYS 37 HG2 LYS 37 1.898 15.663 -1.377 404 HD2 LYS 37 HD3 LYS 37 3.624 17.406 -1.917 405 HD3 LYS 37 HD2 LYS 37 1.968 18.004 -1.825 406 HE2 LYS 37 HE3 LYS 37 3.327 19.582 -0.695 407 HE3 LYS 37 HE2 LYS 37 2.457 18.684 0.542 408 HZ1 LYS 37 HZ1 LYS 37 5.294 18.368 -0.246 409 HZ2 LYS 37 HZ2 LYS 37 4.489 17.276 0.757 410 HZ3 LYS 37 HZ3 LYS 37 4.690 18.879 1.248 411 H LEU 38 H LEU 38 -1.715 16.070 1.838 412 HA LEU 38 HA LEU 38 -0.642 16.230 4.566 413 HB2 LEU 38 HB3 LEU 38 -2.872 17.649 3.164 414 HB3 LEU 38 HB2 LEU 38 -2.861 17.554 4.912 415 HG LEU 38 HG LEU 38 -1.932 19.667 4.227 416 HD11 LEU 38 HD11 LEU 38 -0.948 18.582 6.189 417 HD12 LEU 38 HD12 LEU 38 0.214 19.597 5.340 418 HD13 LEU 38 HD13 LEU 38 0.280 17.846 5.159 419 HD21 LEU 38 HD21 LEU 38 -1.226 19.032 1.969 420 HD22 LEU 38 HD22 LEU 38 0.108 18.101 2.655 421 HD23 LEU 38 HD23 LEU 38 0.061 19.853 2.854 422 H ALA 39 H ALA 39 -2.348 14.111 2.771 423 HA ALA 39 HA ALA 39 -4.339 13.406 4.732 424 HB1 ALA 39 HB1 ALA 39 -3.516 11.978 2.206 425 HB2 ALA 39 HB2 ALA 39 -4.809 13.171 2.337 426 HB3 ALA 39 HB3 ALA 39 -4.943 11.631 3.186 427 H GLY 40 H GLY 40 -3.786 12.346 6.500 428 HA2 GLY 40 HA3 GLY 40 -1.428 10.747 6.741 429 HA3 GLY 40 HA2 GLY 40 -2.725 10.871 7.923 430 H VAL 41 H VAL 41 -1.289 8.470 6.917 431 HA VAL 41 HA VAL 41 -3.645 6.971 6.148 432 HB VAL 41 HB VAL 41 -2.955 7.376 3.979 433 HG11 VAL 41 HG11 VAL 41 -0.686 7.300 3.166 434 HG12 VAL 41 HG12 VAL 41 -0.104 6.888 4.781 435 HG13 VAL 41 HG13 VAL 41 -0.849 8.460 4.483 436 HG21 VAL 41 HG21 VAL 41 -3.278 4.984 4.358 437 HG22 VAL 41 HG22 VAL 41 -1.562 4.810 4.728 438 HG23 VAL 41 HG23 VAL 41 -2.072 5.273 3.103 439 H THR 42 H THR 42 -3.727 4.966 6.816 440 HA THR 42 HA THR 42 -1.383 3.791 8.164 441 HB THR 42 HB THR 42 -4.301 3.610 8.967 442 HG1 THR 42 HG1 THR 42 -2.654 5.538 9.416 443 HG21 THR 42 HG21 THR 42 -3.475 2.430 10.955 444 HG22 THR 42 HG22 THR 42 -1.837 2.478 10.301 445 HG23 THR 42 HG23 THR 42 -3.088 1.549 9.477 446 H LYS 43 H LYS 43 -0.999 1.617 7.743 447 HA LYS 43 HA LYS 43 -2.838 0.334 5.828 448 HB2 LYS 43 HB3 LYS 43 0.164 0.360 5.941 449 HB3 LYS 43 HB2 LYS 43 -0.700 -0.931 5.112 450 HG2 LYS 43 HG3 LYS 43 -1.703 0.618 3.597 451 HG3 LYS 43 HG2 LYS 43 -1.081 1.991 4.512 452 HD2 LYS 43 HD3 LYS 43 1.159 1.501 3.876 453 HD3 LYS 43 HD2 LYS 43 0.689 -0.059 3.199 454 HE2 LYS 43 HE3 LYS 43 1.106 1.802 1.536 455 HE3 LYS 43 HE2 LYS 43 -0.428 0.947 1.383 456 HZ1 LYS 43 HZ1 LYS 43 -0.578 3.411 1.191 457 HZ2 LYS 43 HZ2 LYS 43 -0.123 3.528 2.820 458 HZ3 LYS 43 HZ3 LYS 43 -1.561 2.743 2.398 459 H LYS 44 H LYS 44 -3.460 -1.738 6.196 460 HA LYS 44 HA LYS 44 -2.506 -2.978 8.691 461 HB2 LYS 44 HB3 LYS 44 -5.422 -2.755 7.921 462 HB3 LYS 44 HB2 LYS 44 -4.761 -3.353 9.435 463 HG2 LYS 44 HG3 LYS 44 -3.954 -1.131 9.990 464 HG3 LYS 44 HG2 LYS 44 -4.546 -0.515 8.449 465 HD2 LYS 44 HD3 LYS 44 -6.136 0.082 10.119 466 HD3 LYS 44 HD2 LYS 44 -6.847 -1.212 9.154 467 HE2 LYS 44 HE3 LYS 44 -6.279 -2.832 10.868 468 HE3 LYS 44 HE2 LYS 44 -5.476 -1.581 11.815 469 HZ1 LYS 44 HZ1 LYS 44 -7.731 -2.083 12.606 470 HZ2 LYS 44 HZ2 LYS 44 -8.363 -1.580 11.122 471 HZ3 LYS 44 HZ3 LYS 44 -7.570 -0.472 12.119 472 H PHE 45 H PHE 45 -1.916 -5.011 8.318 473 HA PHE 45 HA PHE 45 -3.129 -6.479 6.064 474 HB2 PHE 45 HB3 PHE 45 -0.354 -6.522 7.211 475 HB3 PHE 45 HB2 PHE 45 -0.978 -7.900 6.322 476 HD1 PHE 45 HD1 PHE 45 0.179 -4.448 6.093 477 HD2 PHE 45 HD2 PHE 45 -1.359 -7.787 3.951 478 HE1 PHE 45 HE1 PHE 45 0.909 -3.425 3.978 479 HE2 PHE 45 HE2 PHE 45 -0.639 -6.769 1.832 480 HZ PHE 45 HZ PHE 45 0.501 -4.588 1.845 481 H ARG 46 H ARG 46 -4.123 -8.381 6.487 482 HA ARG 46 HA ARG 46 -3.445 -9.913 8.852 483 HB2 ARG 46 HB3 ARG 46 -5.596 -9.853 9.883 484 HB3 ARG 46 HB2 ARG 46 -5.119 -8.183 9.614 485 HG2 ARG 46 HG3 ARG 46 -6.493 -8.283 7.484 486 HG3 ARG 46 HG2 ARG 46 -7.142 -9.805 8.099 487 HD2 ARG 46 HD3 ARG 46 -8.644 -8.019 8.677 488 HD3 ARG 46 HD2 ARG 46 -7.866 -8.610 10.148 489 HE ARG 46 HE ARG 46 -6.340 -6.662 9.925 490 HH11 ARG 46 HH11 ARG 46 -9.566 -6.556 8.545 491 HH12 ARG 46 HH12 ARG 46 -9.589 -4.824 8.451 492 HH21 ARG 46 HH21 ARG 46 -6.387 -4.408 9.784 493 HH22 ARG 46 HH22 ARG 46 -7.789 -3.606 9.124 494 H ASN 47 H ASN 47 -4.601 -11.945 8.913 495 HA ASN 47 HA ASN 47 -5.052 -13.196 6.395 496 HB2 ASN 47 HB3 ASN 47 -5.875 -14.036 9.182 497 HB3 ASN 47 HB2 ASN 47 -6.070 -15.052 7.756 498 HD21 ASN 47 HD21 ASN 47 -3.875 -13.756 10.072 499 HD22 ASN 47 HD22 ASN 47 -2.489 -14.667 9.587 500 H ALA 48 H ALA 48 -7.170 -13.991 5.551 501 HA ALA 48 HA ALA 48 -8.883 -11.901 5.098 502 HB1 ALA 48 HB1 ALA 48 -9.618 -14.824 5.029 503 HB2 ALA 48 HB2 ALA 48 -8.764 -13.958 3.749 504 HB3 ALA 48 HB3 ALA 48 -10.420 -13.513 4.162 505 H ALA 49 H ALA 49 -10.626 -11.083 5.915 506 HA ALA 49 HA ALA 49 -10.969 -11.152 8.687 507 HB1 ALA 49 HB1 ALA 49 -12.905 -10.104 6.642 508 HB2 ALA 49 HB2 ALA 49 -11.467 -9.245 7.191 509 HB3 ALA 49 HB3 ALA 49 -12.766 -9.609 8.329 510 H SER 50 H SER 50 -12.905 -12.639 6.088 511 HA SER 50 HA SER 50 -14.804 -13.725 7.908 512 HB2 SER 50 HB3 SER 50 -14.241 -14.347 5.006 513 HB3 SER 50 HB2 SER 50 -15.666 -14.869 5.902 514 HG SER 50 HG SER 50 -16.007 -12.545 6.302 515 H GLY 51 H GLY 51 -11.740 -14.476 7.861 516 HA2 GLY 51 HA3 GLY 51 -10.588 -16.282 8.669 517 HA3 GLY 51 HA2 GLY 51 -12.137 -17.016 9.028 518 H LYS 52 H LYS 52 -11.245 -16.096 5.770 519 HA LYS 52 HA LYS 52 -11.414 -18.868 4.952 520 HB2 LYS 52 HB3 LYS 52 -10.903 -16.361 3.345 521 HB3 LYS 52 HB2 LYS 52 -11.088 -17.967 2.660 522 HG2 LYS 52 HG3 LYS 52 -13.381 -18.045 3.602 523 HG3 LYS 52 HG2 LYS 52 -13.176 -16.370 4.125 524 HD2 LYS 52 HD3 LYS 52 -12.650 -15.803 1.733 525 HD3 LYS 52 HD2 LYS 52 -13.150 -17.439 1.310 526 HE2 LYS 52 HE3 LYS 52 -15.369 -17.028 2.116 527 HE3 LYS 52 HE2 LYS 52 -14.894 -15.454 2.752 528 HZ1 LYS 52 HZ1 LYS 52 -14.345 -14.818 0.424 529 HZ2 LYS 52 HZ2 LYS 52 -15.995 -15.096 0.700 530 HZ3 LYS 52 HZ3 LYS 52 -15.061 -16.263 -0.095 531 HA PRO 53 HA PRO 53 -7.005 -19.536 5.505 532 HB2 PRO 53 HB3 PRO 53 -7.700 -21.797 3.684 533 HB3 PRO 53 HB2 PRO 53 -6.779 -21.809 5.195 534 HG2 PRO 53 HG3 PRO 53 -9.263 -22.690 5.185 535 HG3 PRO 53 HG2 PRO 53 -8.692 -21.655 6.508 536 HD2 PRO 53 HD3 PRO 53 -10.400 -20.940 4.150 537 HD3 PRO 53 HD2 PRO 53 -10.560 -20.440 5.848 538 H ASP 54 H ASP 54 -5.297 -18.965 4.370 539 HA ASP 54 HA ASP 54 -3.826 -18.711 2.647 540 HB2 ASP 54 HB3 ASP 54 -6.144 -19.426 0.837 541 HB3 ASP 54 HB2 ASP 54 -4.540 -19.004 0.258 542 H ARG 55 H ARG 55 -7.034 -17.470 1.813 543 HA ARG 55 HA ARG 55 -6.122 -15.029 0.785 544 HB2 ARG 55 HB3 ARG 55 -8.800 -15.853 1.881 545 HB3 ARG 55 HB2 ARG 55 -8.508 -14.260 1.188 546 HG2 ARG 55 HG3 ARG 55 -7.766 -15.348 -0.897 547 HG3 ARG 55 HG2 ARG 55 -8.193 -16.909 -0.198 548 HD2 ARG 55 HD3 ARG 55 -10.508 -16.280 -0.073 549 HD3 ARG 55 HD2 ARG 55 -10.128 -14.629 -0.575 550 HE ARG 55 HE ARG 55 -9.363 -16.733 -2.424 551 HH11 ARG 55 HH11 ARG 55 -11.826 -14.416 -1.507 552 HH12 ARG 55 HH12 ARG 55 -12.467 -14.283 -3.120 553 HH21 ARG 55 HH21 ARG 55 -10.193 -16.560 -4.527 554 HH22 ARG 55 HH22 ARG 55 -11.537 -15.508 -4.840 555 H TYR 56 H TYR 56 -6.260 -12.904 1.562 556 HA TYR 56 HA TYR 56 -6.110 -12.626 4.490 557 HB2 TYR 56 HB3 TYR 56 -4.382 -11.102 2.532 558 HB3 TYR 56 HB2 TYR 56 -4.226 -11.160 4.281 559 HD1 TYR 56 HD1 TYR 56 -3.250 -12.624 1.166 560 HD2 TYR 56 HD2 TYR 56 -3.494 -13.358 5.349 561 HE1 TYR 56 HE1 TYR 56 -1.658 -14.476 0.935 562 HE2 TYR 56 HE2 TYR 56 -1.911 -15.211 5.125 563 HH TYR 56 HH TYR 56 -1.231 -16.795 3.237 564 H ASP 57 H ASP 57 -6.050 -10.157 4.980 565 HA ASP 57 HA ASP 57 -7.836 -8.643 3.200 566 HB2 ASP 57 HB3 ASP 57 -8.268 -9.370 6.023 567 HB3 ASP 57 HB2 ASP 57 -8.448 -7.651 5.694 568 H MET 58 H MET 58 -7.228 -6.526 2.914 569 HA MET 58 HA MET 58 -5.005 -5.491 4.529 570 HB2 MET 58 HB3 MET 58 -3.738 -6.388 2.783 571 HB3 MET 58 HB2 MET 58 -4.954 -6.015 1.574 572 HG2 MET 58 HG3 MET 58 -2.945 -4.632 1.349 573 HG3 MET 58 HG2 MET 58 -4.391 -3.676 1.664 574 HE1 MET 58 HE1 MET 58 -1.525 -1.646 3.346 575 HE2 MET 58 HE2 MET 58 -2.963 -1.533 2.325 576 HE3 MET 58 HE3 MET 58 -1.583 -2.511 1.807 577 H GLU 59 H GLU 59 -5.153 -3.341 4.928 578 HA GLU 59 HA GLU 59 -7.214 -1.875 3.422 579 HB2 GLU 59 HB3 GLU 59 -6.785 -1.699 6.404 580 HB3 GLU 59 HB2 GLU 59 -8.001 -0.835 5.475 581 HG2 GLU 59 HG3 GLU 59 -9.002 -3.020 4.865 582 HG3 GLU 59 HG2 GLU 59 -7.848 -3.801 5.945 583 H ASN 60 H ASN 60 -6.923 0.258 3.066 584 HA ASN 60 HA ASN 60 -4.476 1.508 4.128 585 HB2 ASN 60 HB3 ASN 60 -5.705 2.033 1.404 586 HB3 ASN 60 HB2 ASN 60 -4.303 2.851 2.074 587 HD21 ASN 60 HD21 ASN 60 -5.505 -0.018 0.585 588 HD22 ASN 60 HD22 ASN 60 -3.965 -0.757 0.303 589 H LEU 61 H LEU 61 -5.285 2.710 5.706 590 HA LEU 61 HA LEU 61 -7.829 4.101 5.316 591 HB2 LEU 61 HB3 LEU 61 -6.154 3.513 7.748 592 HB3 LEU 61 HB2 LEU 61 -7.556 4.562 7.799 593 HG LEU 61 HG LEU 61 -7.581 1.646 7.016 594 HD11 LEU 61 HD11 LEU 61 -8.572 3.020 9.510 595 HD12 LEU 61 HD12 LEU 61 -7.143 1.992 9.399 596 HD13 LEU 61 HD13 LEU 61 -8.747 1.309 9.128 597 HD21 LEU 61 HD21 LEU 61 -10.004 1.882 7.051 598 HD22 LEU 61 HD22 LEU 61 -9.286 2.968 5.862 599 HD23 LEU 61 HD23 LEU 61 -9.843 3.600 7.411 600 H THR 62 H THR 62 -7.701 6.100 4.519 601 HA THR 62 HA THR 62 -5.521 7.801 5.497 602 HB THR 62 HB THR 62 -5.336 8.934 3.429 603 HG1 THR 62 HG1 THR 62 -7.487 7.436 2.324 604 HG21 THR 62 HG21 THR 62 -4.451 6.521 3.543 605 HG22 THR 62 HG22 THR 62 -4.560 7.285 1.961 606 HG23 THR 62 HG23 THR 62 -5.791 6.125 2.466 607 H THR 63 H THR 63 -6.414 10.221 4.609 608 HA THR 63 HA THR 63 -8.656 10.605 6.409 609 HB THR 63 HB THR 63 -8.083 12.952 6.321 610 HG1 THR 63 HG1 THR 63 -6.785 13.785 4.789 611 HG21 THR 63 HG21 THR 63 -6.702 11.717 7.810 612 HG22 THR 63 HG22 THR 63 -5.623 12.795 6.916 613 HG23 THR 63 HG23 THR 63 -5.730 11.086 6.482 614 H LYS 64 H LYS 64 -7.986 10.549 3.018 615 HA LYS 64 HA LYS 64 -10.431 12.055 2.429 616 HB2 LYS 64 HB3 LYS 64 -8.072 11.396 0.659 617 HB3 LYS 64 HB2 LYS 64 -9.478 12.322 0.156 618 HG2 LYS 64 HG3 LYS 64 -7.473 13.094 2.267 619 HG3 LYS 64 HG2 LYS 64 -7.661 13.814 0.667 620 HD2 LYS 64 HD3 LYS 64 -9.906 14.582 1.283 621 HD3 LYS 64 HD2 LYS 64 -9.714 13.863 2.881 622 HE2 LYS 64 HE3 LYS 64 -7.796 15.345 3.296 623 HE3 LYS 64 HE2 LYS 64 -8.043 16.084 1.717 624 HZ1 LYS 64 HZ1 LYS 64 -9.977 16.113 3.963 625 HZ2 LYS 64 HZ2 LYS 64 -10.234 16.805 2.441 626 HZ3 LYS 64 HZ3 LYS 64 -9.026 17.416 3.455 627 H LYS 65 H LYS 65 -8.968 8.915 2.133 628 HA LYS 65 HA LYS 65 -11.509 7.838 1.283 629 HB2 LYS 65 HB3 LYS 65 -10.420 8.476 -0.862 630 HB3 LYS 65 HB2 LYS 65 -9.072 7.424 -0.460 631 HG2 LYS 65 HG3 LYS 65 -10.424 6.208 -1.953 632 HG3 LYS 65 HG2 LYS 65 -10.740 5.530 -0.355 633 HD2 LYS 65 HD3 LYS 65 -12.761 6.940 -0.200 634 HD3 LYS 65 HD2 LYS 65 -12.456 7.517 -1.837 635 HE2 LYS 65 HE3 LYS 65 -14.110 5.767 -1.906 636 HE3 LYS 65 HE2 LYS 65 -12.622 5.192 -2.653 637 HZ1 LYS 65 HZ1 LYS 65 -13.703 3.568 -1.139 638 HZ2 LYS 65 HZ2 LYS 65 -13.395 4.609 0.155 639 HZ3 LYS 65 HZ3 LYS 65 -12.109 3.933 -0.708 640 H ASP 66 H ASP 66 -11.807 5.862 2.140 641 HA ASP 66 HA ASP 66 -9.444 4.485 3.219 642 HB2 ASP 66 HB3 ASP 66 -10.991 3.266 4.693 643 HB3 ASP 66 HB2 ASP 66 -11.123 5.004 4.928 644 H THR 67 H THR 67 -8.906 2.520 2.477 645 HA THR 67 HA THR 67 -10.733 1.273 0.527 646 HB THR 67 HB THR 67 -8.786 0.298 -0.579 647 HG1 THR 67 HG1 THR 67 -7.292 1.712 1.398 648 HG21 THR 67 HG21 THR 67 -7.736 2.337 -1.468 649 HG22 THR 67 HG22 THR 67 -8.420 3.265 -0.135 650 HG23 THR 67 HG23 THR 67 -9.483 2.527 -1.329 651 H HIS 68 H HIS 68 -10.857 -1.043 0.563 652 HA HIS 68 HA HIS 68 -9.638 -2.379 2.839 653 HB2 HIS 68 HB3 HIS 68 -11.827 -1.502 3.663 654 HB3 HIS 68 HB2 HIS 68 -12.636 -2.423 2.404 655 HD1 HIS 68 HD1 HIS 68 -13.497 -3.059 5.177 656 HD2 HIS 68 HD2 HIS 68 -10.236 -4.935 3.413 657 HE1 HIS 68 HE1 HIS 68 -13.240 -5.250 6.383 658 HE2 HIS 68 HE2 HIS 68 -11.378 -6.449 5.164 659 H HIS 69 H HIS 69 -8.491 -3.677 1.523 660 HA HIS 69 HA HIS 69 -9.598 -5.027 -0.741 661 HB2 HIS 69 HB3 HIS 69 -7.076 -5.654 0.814 662 HB3 HIS 69 HB2 HIS 69 -7.483 -6.267 -0.783 663 HD1 HIS 69 HD1 HIS 69 -8.536 -3.217 -1.578 664 HD2 HIS 69 HD2 HIS 69 -4.780 -4.474 -0.313 665 HE1 HIS 69 HE1 HIS 69 -6.910 -1.494 -2.442 666 HE2 HIS 69 HE2 HIS 69 -4.627 -2.447 -1.907 667 H LYS 70 H LYS 70 -11.416 -6.050 0.023 668 HA LYS 70 HA LYS 70 -11.371 -7.784 2.285 669 HB2 LYS 70 HB3 LYS 70 -13.407 -7.237 0.150 670 HB3 LYS 70 HB2 LYS 70 -13.683 -8.371 1.471 671 HG2 LYS 70 HG3 LYS 70 -13.508 -6.660 3.079 672 HG3 LYS 70 HG2 LYS 70 -12.898 -5.514 1.886 673 HD2 LYS 70 HD3 LYS 70 -15.066 -5.682 0.701 674 HD3 LYS 70 HD2 LYS 70 -15.661 -6.696 2.024 675 HE2 LYS 70 HE3 LYS 70 -15.451 -4.963 3.583 676 HE3 LYS 70 HE2 LYS 70 -14.437 -4.023 2.486 677 HZ1 LYS 70 HZ1 LYS 70 -17.314 -4.627 2.025 678 HZ2 LYS 70 HZ2 LYS 70 -16.335 -3.608 1.093 679 HZ3 LYS 70 HZ3 LYS 70 -16.737 -3.178 2.676 680 H ASP 71 H ASP 71 -10.379 -9.712 2.224 681 HA ASP 71 HA ASP 71 -10.229 -11.946 1.800 682 HB2 ASP 71 HB3 ASP 71 -12.775 -11.507 1.559 683 HB3 ASP 71 HB2 ASP 71 -12.487 -11.683 -0.167 684 H TRP 72 H TRP 72 -8.273 -10.840 0.586 685 HA TRP 72 HA TRP 72 -8.400 -11.560 -2.268 686 HB2 TRP 72 HB3 TRP 72 -6.500 -10.058 -2.605 687 HB3 TRP 72 HB2 TRP 72 -7.832 -9.202 -1.837 688 HD1 TRP 72 HD1 TRP 72 -7.461 -8.345 0.659 689 HE1 TRP 72 HE1 TRP 72 -5.341 -8.014 2.079 690 HE3 TRP 72 HE3 TRP 72 -4.145 -11.046 -2.150 691 HZ2 TRP 72 HZ2 TRP 72 -2.625 -8.803 1.994 692 HZ3 TRP 72 HZ3 TRP 72 -1.818 -11.175 -1.367 693 HH2 TRP 72 HH2 TRP 72 -1.081 -10.085 0.643 694 H ALA 73 H ALA 73 -6.843 -12.919 -3.155 695 HA ALA 73 HA ALA 73 -5.164 -14.340 -1.208 696 HB1 ALA 73 HB1 ALA 73 -6.008 -15.129 -3.993 697 HB2 ALA 73 HB2 ALA 73 -6.748 -15.704 -2.500 698 HB3 ALA 73 HB3 ALA 73 -5.076 -16.124 -2.873 699 H LEU 74 H LEU 74 -2.938 -14.390 -1.463 700 HA LEU 74 HA LEU 74 -1.585 -12.615 -3.100 701 HB2 LEU 74 HB3 LEU 74 -0.817 -14.038 -1.062 702 HB3 LEU 74 HB2 LEU 74 -0.414 -15.249 -2.263 703 HG LEU 74 HG LEU 74 0.702 -12.451 -2.353 704 HD11 LEU 74 HD11 LEU 74 1.385 -13.349 -0.252 705 HD12 LEU 74 HD12 LEU 74 2.747 -13.488 -1.360 706 HD13 LEU 74 HD13 LEU 74 1.774 -14.906 -0.977 707 HD21 LEU 74 HD21 LEU 74 1.607 -15.050 -3.583 708 HD22 LEU 74 HD22 LEU 74 2.412 -13.491 -3.746 709 HD23 LEU 74 HD23 LEU 74 0.804 -13.731 -4.432 710 H GLY 75 H GLY 75 -1.211 -12.586 -5.206 711 HA2 GLY 75 HA3 GLY 75 -0.787 -13.476 -7.350 712 HA3 GLY 75 HA2 GLY 75 -1.312 -15.053 -6.775 713 H GLU 76 H GLU 76 -3.406 -12.563 -5.855 714 HA GLU 76 HA GLU 76 -5.271 -13.369 -7.979 715 HB2 GLU 76 HB3 GLU 76 -5.628 -12.928 -5.078 716 HB3 GLU 76 HB2 GLU 76 -6.929 -12.361 -6.110 717 HG2 GLU 76 HG3 GLU 76 -5.830 -15.156 -6.107 718 HG3 GLU 76 HG2 GLU 76 -7.290 -14.634 -5.267 719 H GLU 77 H GLU 77 -6.897 -11.799 -8.563 720 HA GLU 77 HA GLU 77 -5.898 -9.021 -8.538 721 HB2 GLU 77 HB3 GLU 77 -5.222 -10.271 -10.608 722 HB3 GLU 77 HB2 GLU 77 -6.917 -10.562 -10.948 723 HG2 GLU 77 HG3 GLU 77 -7.325 -8.270 -11.342 724 HG3 GLU 77 HG2 GLU 77 -5.743 -7.813 -10.703 725 H PHE 78 H PHE 78 -7.479 -7.867 -7.626 726 HA PHE 78 HA PHE 78 -10.286 -8.657 -8.064 727 HB2 PHE 78 HB3 PHE 78 -10.698 -8.210 -5.658 728 HB3 PHE 78 HB2 PHE 78 -9.574 -9.542 -5.904 729 HD1 PHE 78 HD1 PHE 78 -7.180 -9.245 -5.439 730 HD2 PHE 78 HD2 PHE 78 -10.023 -6.191 -4.593 731 HE1 PHE 78 HE1 PHE 78 -5.540 -8.121 -3.993 732 HE2 PHE 78 HE2 PHE 78 -8.388 -5.063 -3.147 733 HZ PHE 78 HZ PHE 78 -6.142 -6.026 -2.847 734 H GLN 79 H GLN 79 -11.830 -6.909 -7.614 735 HA GLN 79 HA GLN 79 -10.655 -4.298 -8.138 736 HB2 GLN 79 HB3 GLN 79 -13.471 -5.332 -8.262 737 HB3 GLN 79 HB2 GLN 79 -13.125 -3.605 -8.291 738 HG2 GLN 79 HG3 GLN 79 -11.715 -3.931 -10.261 739 HG3 GLN 79 HG2 GLN 79 -12.094 -5.648 -10.237 740 HE21 GLN 79 HE21 GLN 79 -14.140 -6.330 -10.864 741 HE22 GLN 79 HE22 GLN 79 -15.238 -5.297 -11.712 742 H ASP 80 H ASP 80 -11.274 -2.446 -6.945 743 HA ASP 80 HA ASP 80 -12.193 -2.815 -4.216 744 HB2 ASP 80 HB3 ASP 80 -9.704 -3.479 -4.344 745 HB3 ASP 80 HB2 ASP 80 -9.400 -1.766 -4.608 746 H GLU 81 H GLU 81 -12.456 -0.790 -3.092 747 HA GLU 81 HA GLU 81 -12.910 1.431 -4.924 748 HB2 GLU 81 HB3 GLU 81 -14.026 2.453 -2.877 749 HB3 GLU 81 HB2 GLU 81 -14.791 1.011 -3.526 750 HG2 GLU 81 HG3 GLU 81 -13.844 -0.342 -1.781 751 HG3 GLU 81 HG2 GLU 81 -12.902 1.022 -1.182 752 H ALA 82 H ALA 82 -10.969 2.269 -5.323 753 HA ALA 82 HA ALA 82 -8.914 2.051 -3.344 754 HB1 ALA 82 HB1 ALA 82 -7.415 2.550 -5.112 755 HB2 ALA 82 HB2 ALA 82 -8.723 3.203 -6.102 756 HB3 ALA 82 HB3 ALA 82 -8.671 1.479 -5.739 757 H LEU 83 H LEU 83 -7.250 3.870 -3.219 758 HA LEU 83 HA LEU 83 -8.290 5.976 -1.758 759 HB2 LEU 83 HB3 LEU 83 -5.661 5.882 -3.240 760 HB3 LEU 83 HB2 LEU 83 -6.062 7.011 -1.962 761 HG LEU 83 HG LEU 83 -5.856 4.015 -1.631 762 HD11 LEU 83 HD11 LEU 83 -3.823 4.502 -0.379 763 HD12 LEU 83 HD12 LEU 83 -3.993 6.217 -0.752 764 HD13 LEU 83 HD13 LEU 83 -3.687 5.059 -2.046 765 HD21 LEU 83 HD21 LEU 83 -6.017 4.502 0.757 766 HD22 LEU 83 HD22 LEU 83 -7.464 5.025 -0.102 767 HD23 LEU 83 HD23 LEU 83 -6.258 6.210 0.396 768 H ASP 84 H ASP 84 -7.721 5.703 -5.154 769 HA ASP 84 HA ASP 84 -7.942 8.510 -5.711 770 HB2 ASP 84 HB3 ASP 84 -7.990 7.777 -8.097 771 HB3 ASP 84 HB2 ASP 84 -6.603 7.186 -7.191 772 H SER 85 H SER 85 -10.183 6.884 -4.405 773 HA SER 85 HA SER 85 -12.328 7.506 -4.013 774 HB2 SER 85 HB3 SER 85 -12.176 9.199 -6.513 775 HB3 SER 85 HB2 SER 85 -13.409 9.285 -5.253 776 HG SER 85 HG SER 85 -10.753 9.548 -4.453 777 H THR 86 H THR 86 -11.657 6.896 -7.446 778 HA THR 86 HA THR 86 -14.140 5.497 -7.815 779 HB THR 86 HB THR 86 -12.913 4.774 -9.991 780 HG1 THR 86 HG1 THR 86 -10.822 5.604 -8.935 781 HG21 THR 86 HG21 THR 86 -13.409 6.931 -11.038 782 HG22 THR 86 HG22 THR 86 -13.490 7.689 -9.447 783 HG23 THR 86 HG23 THR 86 -14.678 6.468 -9.905 784 H GLN 87 H GLN 87 -14.117 3.161 -8.608 785 HA GLN 87 HA GLN 87 -12.137 1.681 -7.036 786 HB2 GLN 87 HB3 GLN 87 -13.721 -0.101 -6.812 787 HB3 GLN 87 HB2 GLN 87 -14.465 1.390 -6.258 788 HG2 GLN 87 HG3 GLN 87 -15.613 1.565 -8.452 789 HG3 GLN 87 HG2 GLN 87 -14.958 -0.021 -8.867 790 HE21 GLN 87 HE21 GLN 87 -15.187 -0.891 -6.056 791 HE22 GLN 87 HE22 GLN 87 -16.858 -1.222 -5.809 792 H HIS 88 H HIS 88 -11.108 -0.047 -7.987 793 HA HIS 88 HA HIS 88 -11.614 -0.671 -10.744 794 HB2 HIS 88 HB3 HIS 88 -9.320 0.033 -11.480 795 HB3 HIS 88 HB2 HIS 88 -10.472 1.334 -11.204 796 HD1 HIS 88 HD1 HIS 88 -7.554 -0.361 -9.455 797 HD2 HIS 88 HD2 HIS 88 -9.594 3.264 -9.529 798 HE1 HIS 88 HE1 HIS 88 -6.278 1.176 -7.923 799 HE2 HIS 88 HE2 HIS 88 -7.548 3.365 -7.955 800 H LYS 89 H LYS 89 -9.418 -1.804 -11.575 801 HA LYS 89 HA LYS 89 -9.344 -4.213 -10.065 802 HB2 LYS 89 HB3 LYS 89 -9.329 -4.140 -12.521 803 HB3 LYS 89 HB2 LYS 89 -7.783 -3.310 -12.487 804 HG2 LYS 89 HG3 LYS 89 -6.701 -5.254 -11.577 805 HG3 LYS 89 HG2 LYS 89 -8.251 -6.089 -11.440 806 HD2 LYS 89 HD3 LYS 89 -7.018 -6.829 -13.419 807 HD3 LYS 89 HD2 LYS 89 -8.517 -6.014 -13.865 808 HE2 LYS 89 HE3 LYS 89 -7.258 -3.966 -14.331 809 HE3 LYS 89 HE2 LYS 89 -5.762 -4.780 -13.879 810 HZ1 LYS 89 HZ1 LYS 89 -6.154 -4.683 -16.301 811 HZ2 LYS 89 HZ2 LYS 89 -7.523 -5.654 -16.099 812 HZ3 LYS 89 HZ3 LYS 89 -5.994 -6.261 -15.716 813 H ILE 90 H ILE 90 -7.719 -5.081 -8.900 814 HA ILE 90 HA ILE 90 -5.150 -3.723 -8.660 815 HB ILE 90 HB ILE 90 -7.033 -4.262 -6.365 816 HG12 ILE 90 HG13 ILE 90 -5.477 -1.792 -7.161 817 HG13 ILE 90 HG12 ILE 90 -7.187 -2.061 -7.486 818 HG21 ILE 90 HG21 ILE 90 -4.098 -3.619 -6.181 819 HG22 ILE 90 HG22 ILE 90 -4.825 -5.201 -5.861 820 HG23 ILE 90 HG23 ILE 90 -5.221 -3.817 -4.832 821 HD11 ILE 90 HD11 ILE 90 -7.590 -2.167 -5.068 822 HD12 ILE 90 HD12 ILE 90 -6.927 -0.616 -5.592 823 HD13 ILE 90 HD13 ILE 90 -5.889 -1.797 -4.790 824 H THR 91 H THR 91 -3.555 -5.201 -8.678 825 HA THR 91 HA THR 91 -4.258 -7.988 -8.078 826 HB THR 91 HB THR 91 -1.779 -7.150 -9.538 827 HG1 THR 91 HG1 THR 91 -3.740 -7.920 -11.231 828 HG21 THR 91 HG21 THR 91 -2.020 -9.371 -10.556 829 HG22 THR 91 HG22 THR 91 -3.496 -9.628 -9.625 830 HG23 THR 91 HG23 THR 91 -1.948 -9.468 -8.795 831 H PHE 92 H PHE 92 -3.139 -9.114 -6.570 832 HA PHE 92 HA PHE 92 -0.912 -7.740 -5.205 833 HB2 PHE 92 HB3 PHE 92 -3.228 -9.243 -4.134 834 HB3 PHE 92 HB2 PHE 92 -1.675 -9.580 -3.376 835 HD1 PHE 92 HD1 PHE 92 -3.955 -6.797 -4.284 836 HD2 PHE 92 HD2 PHE 92 -0.837 -8.173 -1.742 837 HE1 PHE 92 HE1 PHE 92 -4.192 -4.780 -2.900 838 HE2 PHE 92 HE2 PHE 92 -1.069 -6.151 -0.352 839 HZ PHE 92 HZ PHE 92 -2.748 -4.455 -0.936 840 H ASP 93 H ASP 93 0.996 -8.769 -5.199 841 HA ASP 93 HA ASP 93 1.213 -11.613 -5.520 842 HB2 ASP 93 HB3 ASP 93 0.757 -11.014 -7.842 843 HB3 ASP 93 HB2 ASP 93 2.024 -9.795 -7.800 844 H LEU 94 H LEU 94 3.372 -12.341 -5.248 845 HA LEU 94 HA LEU 94 5.068 -10.355 -3.913 846 HB2 LEU 94 HB3 LEU 94 4.555 -13.217 -3.566 847 HB3 LEU 94 HB2 LEU 94 6.259 -12.816 -3.531 848 HG LEU 94 HG LEU 94 5.057 -12.903 -1.291 849 HD11 LEU 94 HD11 LEU 94 6.489 -10.368 -2.058 850 HD12 LEU 94 HD12 LEU 94 7.240 -11.880 -1.546 851 HD13 LEU 94 HD13 LEU 94 6.249 -10.958 -0.414 852 HD21 LEU 94 HD21 LEU 94 3.795 -10.962 -0.611 853 HD22 LEU 94 HD22 LEU 94 3.025 -11.704 -2.017 854 HD23 LEU 94 HD23 LEU 94 3.989 -10.243 -2.209 855 H LYS 95 H LYS 95 6.797 -9.585 -4.889 856 HA LYS 95 HA LYS 95 7.492 -10.553 -7.531 857 HB2 LYS 95 HB3 LYS 95 7.302 -8.096 -6.812 858 HB3 LYS 95 HB2 LYS 95 8.827 -8.336 -5.973 859 HG2 LYS 95 HG3 LYS 95 9.374 -7.358 -8.034 860 HG3 LYS 95 HG2 LYS 95 9.783 -9.068 -8.196 861 HD2 LYS 95 HD3 LYS 95 7.709 -9.475 -9.391 862 HD3 LYS 95 HD2 LYS 95 7.226 -7.793 -9.170 863 HE2 LYS 95 HE3 LYS 95 9.243 -7.112 -10.451 864 HE3 LYS 95 HE2 LYS 95 9.568 -8.816 -10.766 865 HZ1 LYS 95 HZ1 LYS 95 8.414 -7.824 -12.617 866 HZ2 LYS 95 HZ2 LYS 95 7.154 -7.311 -11.615 867 HZ3 LYS 95 HZ3 LYS 95 7.405 -8.960 -11.876 868 H ASP 96 H ASP 96 9.026 -10.016 -4.425 869 HA ASP 96 HA ASP 96 10.797 -12.301 -4.845 870 HB2 ASP 96 HB3 ASP 96 11.671 -9.526 -3.997 871 HB3 ASP 96 HB2 ASP 96 12.650 -10.958 -3.728 872 HA PRO 97 HA PRO 97 9.619 -13.454 -0.818 873 HB2 PRO 97 HB3 PRO 97 12.393 -13.612 0.184 874 HB3 PRO 97 HB2 PRO 97 11.190 -14.890 -0.000 875 HG2 PRO 97 HG3 PRO 97 13.278 -14.745 -1.648 876 HG3 PRO 97 HG2 PRO 97 11.675 -15.204 -2.251 877 HD2 PRO 97 HD3 PRO 97 13.067 -12.550 -2.411 878 HD3 PRO 97 HD2 PRO 97 12.164 -13.416 -3.671 879 H ASN 98 H ASN 98 11.080 -10.538 -1.174 880 HA ASN 98 HA ASN 98 10.325 -9.713 1.526 881 HB2 ASN 98 HB3 ASN 98 13.019 -9.277 0.265 882 HB3 ASN 98 HB2 ASN 98 12.382 -8.122 1.426 883 HD21 ASN 98 HD21 ASN 98 14.706 -9.901 1.560 884 HD22 ASN 98 HD22 ASN 98 14.484 -10.850 2.988 885 H THR 99 H THR 99 9.277 -9.470 -1.291 886 HA THR 99 HA THR 99 8.722 -6.623 -1.151 887 HB THR 99 HB THR 99 9.950 -7.833 -3.634 888 HG1 THR 99 HG1 THR 99 11.041 -6.692 -1.483 889 HG21 THR 99 HG21 THR 99 9.790 -5.560 -4.557 890 HG22 THR 99 HG22 THR 99 8.934 -5.035 -3.106 891 HG23 THR 99 HG23 THR 99 8.197 -6.219 -4.186 892 H LEU 100 H LEU 100 6.601 -6.714 -1.032 893 HA LEU 100 HA LEU 100 5.023 -8.482 -2.741 894 HB2 LEU 100 HB3 LEU 100 4.528 -8.035 -0.285 895 HB3 LEU 100 HB2 LEU 100 4.101 -6.408 -0.743 896 HG LEU 100 HG LEU 100 2.656 -8.830 -1.812 897 HD11 LEU 100 HD11 LEU 100 1.894 -7.072 0.514 898 HD12 LEU 100 HD12 LEU 100 2.526 -8.711 0.651 899 HD13 LEU 100 HD13 LEU 100 0.971 -8.430 -0.130 900 HD21 LEU 100 HD21 LEU 100 0.896 -7.239 -2.329 901 HD22 LEU 100 HD22 LEU 100 2.402 -6.754 -3.112 902 HD23 LEU 100 HD23 LEU 100 1.858 -5.924 -1.652 903 H THR 101 H THR 101 3.855 -7.725 -4.535 904 HA THR 101 HA THR 101 4.185 -4.865 -5.119 905 HB THR 101 HB THR 101 3.781 -5.675 -7.552 906 HG1 THR 101 HG1 THR 101 3.696 -8.001 -6.307 907 HG21 THR 101 HG21 THR 101 6.193 -6.058 -7.855 908 HG22 THR 101 HG22 THR 101 6.367 -6.244 -6.109 909 HG23 THR 101 HG23 THR 101 5.861 -4.697 -6.785 910 H GLU 102 H GLU 102 2.415 -3.705 -5.248 911 HA GLU 102 HA GLU 102 -0.163 -5.087 -5.645 912 HB2 GLU 102 HB3 GLU 102 0.053 -4.080 -3.408 913 HB3 GLU 102 HB2 GLU 102 0.394 -2.520 -4.142 914 HG2 GLU 102 HG3 GLU 102 -1.860 -2.645 -5.228 915 HG3 GLU 102 HG2 GLU 102 -2.182 -4.064 -4.235 916 H THR 103 H THR 103 -0.845 -4.770 -7.667 917 HA THR 103 HA THR 103 -0.003 -2.343 -9.074 918 HB THR 103 HB THR 103 -1.331 -4.775 -10.273 919 HG1 THR 103 HG1 THR 103 0.939 -5.310 -10.818 920 HG21 THR 103 HG21 THR 103 -1.292 -2.742 -11.656 921 HG22 THR 103 HG22 THR 103 -0.257 -4.002 -12.329 922 HG23 THR 103 HG23 THR 103 0.458 -2.645 -11.457 923 H HIS 104 H HIS 104 -1.407 -0.713 -8.931 924 HA HIS 104 HA HIS 104 -4.267 -1.256 -8.669 925 HB2 HIS 104 HB3 HIS 104 -2.792 1.387 -8.587 926 HB3 HIS 104 HB2 HIS 104 -4.482 1.137 -8.196 927 HD1 HIS 104 HD1 HIS 104 -4.991 0.854 -5.803 928 HD2 HIS 104 HD2 HIS 104 -1.012 0.012 -6.646 929 HE1 HIS 104 HE1 HIS 104 -3.885 0.538 -3.573 930 HE2 HIS 104 HE2 HIS 104 -1.540 -0.194 -4.113 931 H ILE 105 H ILE 105 -5.094 -1.753 -10.687 932 HA ILE 105 HA ILE 105 -4.465 0.134 -12.851 933 HB ILE 105 HB ILE 105 -5.535 -2.672 -13.069 934 HG12 ILE 105 HG13 ILE 105 -2.861 -1.421 -13.727 935 HG13 ILE 105 HG12 ILE 105 -3.185 -2.655 -12.516 936 HG21 ILE 105 HG21 ILE 105 -6.515 -1.363 -14.815 937 HG22 ILE 105 HG22 ILE 105 -5.200 -2.296 -15.530 938 HG23 ILE 105 HG23 ILE 105 -4.977 -0.581 -15.175 939 HD11 ILE 105 HD11 ILE 105 -2.133 -3.585 -14.495 940 HD12 ILE 105 HD12 ILE 105 -3.466 -2.987 -15.484 941 HD13 ILE 105 HD13 ILE 105 -3.759 -4.231 -14.270 942 H LYS 106 H LYS 106 -5.918 1.595 -13.237 943 HA LYS 106 HA LYS 106 -8.562 1.536 -12.254 944 HB2 LYS 106 HB3 LYS 106 -7.368 3.306 -14.392 945 HB3 LYS 106 HB2 LYS 106 -8.840 3.625 -13.479 946 HG2 LYS 106 HG3 LYS 106 -7.658 4.001 -11.488 947 HG3 LYS 106 HG2 LYS 106 -6.185 3.269 -12.128 948 HD2 LYS 106 HD3 LYS 106 -5.904 5.650 -12.104 949 HD3 LYS 106 HD2 LYS 106 -6.054 5.117 -13.778 950 HE2 LYS 106 HE3 LYS 106 -8.478 5.725 -13.664 951 HE3 LYS 106 HE2 LYS 106 -8.162 6.436 -12.083 952 HZ1 LYS 106 HZ1 LYS 106 -7.063 7.276 -14.703 953 HZ2 LYS 106 HZ2 LYS 106 -6.442 7.835 -13.226 954 HZ3 LYS 106 HZ3 LYS 106 -8.048 8.174 -13.655 955 H VAL 107 H VAL 107 -10.243 0.580 -12.991 956 HA VAL 107 HA VAL 107 -10.581 -0.732 -15.430 957 HB VAL 107 HB VAL 107 -12.638 0.357 -13.498 958 HG11 VAL 107 HG11 VAL 107 -12.880 -1.714 -15.650 959 HG12 VAL 107 HG12 VAL 107 -13.644 -0.126 -15.616 960 HG13 VAL 107 HG13 VAL 107 -14.112 -1.356 -14.442 961 HG21 VAL 107 HG21 VAL 107 -10.991 -1.185 -12.505 962 HG22 VAL 107 HG22 VAL 107 -11.465 -2.409 -13.684 963 HG23 VAL 107 HG23 VAL 107 -12.633 -1.828 -12.495 964 H ASP 108 H ASP 108 -11.147 2.508 -14.349 965 HA ASP 108 HA ASP 108 -12.763 3.384 -16.509 966 HB2 ASP 108 HB3 ASP 108 -11.018 4.987 -14.623 967 HB3 ASP 108 HB2 ASP 108 -12.302 5.633 -15.642 968 H ASP 109 H ASP 109 -9.294 3.645 -15.781 969 HA ASP 109 HA ASP 109 -8.659 3.540 -18.560 970 HB2 ASP 109 HB3 ASP 109 -7.314 5.660 -18.546 971 HB3 ASP 109 HB2 ASP 109 -9.055 5.895 -18.523 972 HA PRO 110 HA PRO 110 -5.467 1.397 -16.259 973 HB2 PRO 110 HB3 PRO 110 -4.652 -0.101 -18.344 974 HB3 PRO 110 HB2 PRO 110 -6.139 -0.449 -17.459 975 HG2 PRO 110 HG3 PRO 110 -5.790 1.013 -20.049 976 HG3 PRO 110 HG2 PRO 110 -6.957 -0.251 -19.630 977 HD2 PRO 110 HD3 PRO 110 -7.608 2.357 -19.613 978 HD3 PRO 110 HD2 PRO 110 -8.314 1.198 -18.477 979 H THR 111 H THR 111 -5.253 3.922 -18.251 980 HA THR 111 HA THR 111 -2.437 3.724 -18.912 981 HB THR 111 HB THR 111 -2.804 6.016 -19.861 982 HG1 THR 111 HG1 THR 111 -4.519 6.968 -19.005 983 HG21 THR 111 HG21 THR 111 -4.220 5.249 -21.715 984 HG22 THR 111 HG22 THR 111 -4.737 3.874 -20.739 985 HG23 THR 111 HG23 THR 111 -3.054 4.014 -21.242 986 H ASP 112 H ASP 112 -4.354 4.802 -16.319 987 HA ASP 112 HA ASP 112 -2.200 6.585 -15.354 988 HB2 ASP 112 HB3 ASP 112 -4.395 7.690 -15.815 989 HB3 ASP 112 HB2 ASP 112 -5.140 6.639 -14.627 990 H VAL 113 H VAL 113 -1.997 3.847 -15.050 991 HA VAL 113 HA VAL 113 -3.045 3.056 -12.482 992 HB VAL 113 HB VAL 113 -2.064 0.909 -12.948 993 HG11 VAL 113 HG11 VAL 113 -3.303 0.328 -14.914 994 HG12 VAL 113 HG12 VAL 113 -3.286 2.000 -15.465 995 HG13 VAL 113 HG13 VAL 113 -4.200 1.559 -14.025 996 HG21 VAL 113 HG21 VAL 113 -0.823 2.204 -15.365 997 HG22 VAL 113 HG22 VAL 113 -0.764 0.485 -14.972 998 HG23 VAL 113 HG23 VAL 113 0.039 1.658 -13.928 999 H GLU 114 H GLU 114 -1.350 1.733 -11.110 1000 HA GLU 114 HA GLU 114 1.330 2.751 -11.125 1001 HB2 GLU 114 HB3 GLU 114 0.098 4.602 -10.005 1002 HB3 GLU 114 HB2 GLU 114 -0.443 3.465 -8.778 1003 HG2 GLU 114 HG3 GLU 114 1.467 4.860 -8.074 1004 HG3 GLU 114 HG2 GLU 114 1.799 3.129 -8.007 1005 H THR 115 H THR 115 2.692 1.667 -9.627 1006 HA THR 115 HA THR 115 1.488 -0.744 -8.440 1007 HB THR 115 HB THR 115 4.218 -0.619 -9.744 1008 HG1 THR 115 HG1 THR 115 2.503 -0.544 -11.293 1009 HG21 THR 115 HG21 THR 115 4.179 -3.059 -9.481 1010 HG22 THR 115 HG22 THR 115 2.621 -2.948 -8.665 1011 HG23 THR 115 HG23 THR 115 4.058 -2.245 -7.921 1012 H TYR 116 H TYR 116 1.769 -0.784 -6.345 1013 HA TYR 116 HA TYR 116 3.901 0.830 -5.115 1014 HB2 TYR 116 HB3 TYR 116 1.523 -0.576 -3.866 1015 HB3 TYR 116 HB2 TYR 116 2.726 0.337 -2.972 1016 HD1 TYR 116 HD1 TYR 116 2.605 2.266 -5.676 1017 HD2 TYR 116 HD2 TYR 116 -0.033 1.058 -2.564 1018 HE1 TYR 116 HE1 TYR 116 1.286 4.309 -6.011 1019 HE2 TYR 116 HE2 TYR 116 -1.359 3.101 -2.893 1020 HH TYR 116 HH TYR 116 -1.069 5.067 -5.591 1021 H GLU 117 H GLU 117 5.461 -0.249 -3.615 1022 HA GLU 117 HA GLU 117 5.416 -3.158 -3.911 1023 HB2 GLU 117 HB3 GLU 117 7.910 -1.461 -4.127 1024 HB3 GLU 117 HB2 GLU 117 7.796 -3.203 -4.322 1025 HG2 GLU 117 HG3 GLU 117 6.453 -2.869 -6.352 1026 HG3 GLU 117 HG2 GLU 117 6.630 -1.126 -6.162 1027 H TYR 118 H TYR 118 5.557 -4.092 -1.974 1028 HA TYR 118 HA TYR 118 6.178 -2.403 0.345 1029 HB2 TYR 118 HB3 TYR 118 4.839 -5.116 0.222 1030 HB3 TYR 118 HB2 TYR 118 5.057 -4.155 1.668 1031 HD1 TYR 118 HD1 TYR 118 3.133 -3.065 2.426 1032 HD2 TYR 118 HD2 TYR 118 3.628 -3.665 -1.751 1033 HE1 TYR 118 HE1 TYR 118 0.988 -1.989 2.028 1034 HE2 TYR 118 HE2 TYR 118 1.463 -2.582 -2.157 1035 HH TYR 118 HH TYR 118 -0.333 -1.133 0.506 1036 H ARG 119 H ARG 119 8.121 -2.596 1.258 1037 HA ARG 119 HA ARG 119 9.257 -5.291 1.481 1038 HB2 ARG 119 HB3 ARG 119 11.568 -4.128 1.428 1039 HB3 ARG 119 HB2 ARG 119 10.752 -4.481 -0.085 1040 HG2 ARG 119 HG3 ARG 119 10.324 -1.811 1.135 1041 HG3 ARG 119 HG2 ARG 119 11.885 -2.150 0.387 1042 HD2 ARG 119 HD3 ARG 119 9.197 -2.459 -0.943 1043 HD3 ARG 119 HD2 ARG 119 10.315 -1.125 -1.193 1044 HE ARG 119 HE ARG 119 11.446 -3.721 -1.726 1045 HH11 ARG 119 HH11 ARG 119 9.739 -0.989 -3.070 1046 HH12 ARG 119 HH12 ARG 119 10.110 -1.393 -4.717 1047 HH21 ARG 119 HH21 ARG 119 11.964 -4.251 -3.896 1048 HH22 ARG 119 HH22 ARG 119 11.386 -3.243 -5.183 1049 H ARG 120 H ARG 120 10.549 -5.661 3.358 1050 HA ARG 120 HA ARG 120 9.675 -3.964 5.588 1051 HB2 ARG 120 HB3 ARG 120 9.010 -6.300 5.744 1052 HB3 ARG 120 HB2 ARG 120 10.670 -6.820 5.511 1053 HG2 ARG 120 HG3 ARG 120 10.305 -7.072 7.795 1054 HG3 ARG 120 HG2 ARG 120 11.187 -5.552 7.667 1055 HD2 ARG 120 HD3 ARG 120 9.139 -4.295 7.920 1056 HD3 ARG 120 HD2 ARG 120 8.187 -5.781 7.906 1057 HE ARG 120 HE ARG 120 10.211 -5.413 10.002 1058 HH11 ARG 120 HH11 ARG 120 6.832 -5.668 9.094 1059 HH12 ARG 120 HH12 ARG 120 6.272 -5.806 10.732 1060 HH21 ARG 120 HH21 ARG 120 9.453 -5.611 12.177 1061 HH22 ARG 120 HH22 ARG 120 7.748 -5.766 12.464 1062 H ASP 121 H ASP 121 11.166 -2.428 5.965 1063 HA ASP 121 HA ASP 121 14.008 -3.136 5.913 1064 HB2 ASP 121 HB3 ASP 121 13.251 -1.025 4.810 1065 HB3 ASP 121 HB2 ASP 121 12.733 -0.431 6.382 1066 H GLY 122 H GLY 122 14.273 -4.355 7.735 1067 HA2 GLY 122 HA3 GLY 122 14.637 -4.752 9.973 1068 HA3 GLY 122 HA2 GLY 122 14.453 -3.023 10.244 1069 H ASP 123 H ASP 123 12.587 -2.257 11.075 1070 HA ASP 123 HA ASP 123 10.341 -4.147 11.261 1071 HB2 ASP 123 HB3 ASP 123 11.375 -2.221 13.329 1072 HB3 ASP 123 HB2 ASP 123 9.742 -2.875 13.395 1073 H TYR 124 H TYR 124 11.228 -1.676 9.541 1074 HA TYR 124 HA TYR 124 8.648 -0.279 9.723 1075 HB2 TYR 124 HB3 TYR 124 11.247 0.505 8.392 1076 HB3 TYR 124 HB2 TYR 124 9.742 1.393 8.178 1077 HD1 TYR 124 HD1 TYR 124 12.454 0.576 10.500 1078 HD2 TYR 124 HD2 TYR 124 8.832 2.741 9.982 1079 HE1 TYR 124 HE1 TYR 124 12.950 1.877 12.529 1080 HE2 TYR 124 HE2 TYR 124 9.317 4.048 12.004 1081 HH TYR 124 HH TYR 124 12.342 4.093 13.494 1082 H LEU 125 H LEU 125 7.176 -0.465 8.130 1083 HA LEU 125 HA LEU 125 7.741 -2.193 5.876 1084 HB2 LEU 125 HB3 LEU 125 5.599 -2.288 7.179 1085 HB3 LEU 125 HB2 LEU 125 5.232 -0.671 6.633 1086 HG LEU 125 HG LEU 125 4.044 -2.606 5.478 1087 HD11 LEU 125 HD11 LEU 125 4.109 -1.545 3.287 1088 HD12 LEU 125 HD12 LEU 125 5.549 -0.643 3.760 1089 HD13 LEU 125 HD13 LEU 125 4.015 -0.350 4.579 1090 HD21 LEU 125 HD21 LEU 125 6.701 -2.892 4.088 1091 HD22 LEU 125 HD22 LEU 125 5.206 -3.747 3.699 1092 HD23 LEU 125 HD23 LEU 125 6.021 -4.047 5.235 1093 H VAL 126 H VAL 126 8.485 -1.380 4.002 1094 HA VAL 126 HA VAL 126 8.295 1.538 3.670 1095 HB VAL 126 HB VAL 126 10.545 -0.213 2.656 1096 HG11 VAL 126 HG11 VAL 126 10.135 1.717 1.237 1097 HG12 VAL 126 HG12 VAL 126 11.634 1.938 2.139 1098 HG13 VAL 126 HG13 VAL 126 10.171 2.787 2.639 1099 HG21 VAL 126 HG21 VAL 126 11.930 0.910 4.342 1100 HG22 VAL 126 HG22 VAL 126 10.633 -0.027 5.082 1101 HG23 VAL 126 HG23 VAL 126 10.499 1.728 4.967 1102 H MET 127 H MET 127 7.245 2.181 1.999 1103 HA MET 127 HA MET 127 6.631 0.240 -0.116 1104 HB2 MET 127 HB3 MET 127 4.586 0.930 0.748 1105 HB3 MET 127 HB2 MET 127 5.133 2.577 1.002 1106 HG2 MET 127 HG3 MET 127 5.010 3.059 -1.326 1107 HG3 MET 127 HG2 MET 127 4.715 1.367 -1.714 1108 HE1 MET 127 HE1 MET 127 1.170 0.729 -0.437 1109 HE2 MET 127 HE2 MET 127 2.567 0.592 0.628 1110 HE3 MET 127 HE3 MET 127 2.686 0.064 -1.049 1111 H LYS 128 H LYS 128 7.034 0.703 -2.210 1112 HA LYS 128 HA LYS 128 8.462 3.216 -2.727 1113 HB2 LYS 128 HB3 LYS 128 9.985 1.419 -3.077 1114 HB3 LYS 128 HB2 LYS 128 8.787 0.483 -3.956 1115 HG2 LYS 128 HG3 LYS 128 8.900 1.968 -5.828 1116 HG3 LYS 128 HG2 LYS 128 9.933 3.089 -4.936 1117 HD2 LYS 128 HD3 LYS 128 11.756 1.623 -4.987 1118 HD3 LYS 128 HD2 LYS 128 10.745 0.240 -5.396 1119 HE2 LYS 128 HE3 LYS 128 11.257 2.598 -7.203 1120 HE3 LYS 128 HE2 LYS 128 12.108 1.057 -7.294 1121 HZ1 LYS 128 HZ1 LYS 128 10.444 0.839 -8.859 1122 HZ2 LYS 128 HZ2 LYS 128 9.294 1.653 -7.932 1123 HZ3 LYS 128 HZ3 LYS 128 9.752 0.073 -7.510 1124 H MET 129 H MET 129 7.518 4.579 -3.992 1125 HA MET 129 HA MET 129 5.504 3.650 -5.943 1126 HB2 MET 129 HB3 MET 129 5.502 6.305 -4.482 1127 HB3 MET 129 HB2 MET 129 4.244 5.679 -5.537 1128 HG2 MET 129 HG3 MET 129 3.528 4.120 -3.960 1129 HG3 MET 129 HG2 MET 129 5.019 4.240 -3.030 1130 HE1 MET 129 HE1 MET 129 1.677 7.423 -3.062 1131 HE2 MET 129 HE2 MET 129 1.549 5.847 -3.846 1132 HE3 MET 129 HE3 MET 129 2.659 7.060 -4.483 1133 H SER 130 H SER 130 6.145 4.121 -8.000 1134 HA SER 130 HA SER 130 7.976 6.355 -8.399 1135 HB2 SER 130 HB3 SER 130 9.358 4.685 -9.865 1136 HB3 SER 130 HB2 SER 130 9.603 4.743 -8.121 1137 HG SER 130 HG SER 130 7.650 3.004 -9.090 1138 H TRP 131 H TRP 131 7.501 7.483 -10.109 1139 HA TRP 131 HA TRP 131 6.182 6.204 -12.396 1140 HB2 TRP 131 HB3 TRP 131 4.445 7.166 -10.867 1141 HB3 TRP 131 HB2 TRP 131 5.176 8.749 -11.106 1142 HD1 TRP 131 HD1 TRP 131 4.401 10.098 -13.174 1143 HE1 TRP 131 HE1 TRP 131 2.805 9.638 -15.138 1144 HE3 TRP 131 HE3 TRP 131 3.636 5.101 -12.435 1145 HZ2 TRP 131 HZ2 TRP 131 1.414 7.441 -16.236 1146 HZ3 TRP 131 HZ3 TRP 131 2.163 3.892 -13.991 1147 HH2 TRP 131 HH2 TRP 131 1.072 5.039 -15.850 1148 H LYS 132 H LYS 132 6.970 6.859 -14.275 1149 HA LYS 132 HA LYS 132 8.514 7.707 -15.680 1150 HB2 LYS 132 HB3 LYS 132 7.343 10.249 -14.556 1151 HB3 LYS 132 HB2 LYS 132 8.336 10.171 -16.007 1152 HG2 LYS 132 HG3 LYS 132 6.661 8.617 -16.990 1153 HG3 LYS 132 HG2 LYS 132 5.642 8.901 -15.579 1154 HD2 LYS 132 HD3 LYS 132 6.581 10.984 -17.551 1155 HD3 LYS 132 HD2 LYS 132 4.956 10.310 -17.444 1156 HE2 LYS 132 HE3 LYS 132 4.787 11.209 -15.144 1157 HE3 LYS 132 HE2 LYS 132 6.367 11.963 -15.356 1158 HZ1 LYS 132 HZ1 LYS 132 3.912 12.545 -16.919 1159 HZ2 LYS 132 HZ2 LYS 132 5.434 13.203 -17.243 1160 HZ3 LYS 132 HZ3 LYS 132 4.655 13.561 -15.788 1161 H GLY 133 H GLY 133 9.857 6.854 -13.545 1162 HA2 GLY 133 HA3 GLY 133 12.110 6.987 -12.961 1163 HA3 GLY 133 HA2 GLY 133 12.148 8.626 -13.587 1164 H VAL 134 H VAL 134 9.899 9.553 -11.995 1165 HA VAL 134 HA VAL 134 11.436 10.289 -9.687 1166 HB VAL 134 HB VAL 134 8.517 10.896 -10.174 1167 HG11 VAL 134 HG11 VAL 134 8.967 12.851 -8.752 1168 HG12 VAL 134 HG12 VAL 134 10.626 12.301 -8.535 1169 HG13 VAL 134 HG13 VAL 134 9.292 11.338 -7.906 1170 HG21 VAL 134 HG21 VAL 134 9.754 11.610 -12.125 1171 HG22 VAL 134 HG22 VAL 134 10.954 12.407 -11.108 1172 HG23 VAL 134 HG23 VAL 134 9.302 13.022 -11.166 1173 H SER 135 H SER 135 11.666 8.972 -8.030 1174 HA SER 135 HA SER 135 9.461 7.193 -7.304 1175 HB2 SER 135 HB3 SER 135 11.653 6.205 -6.035 1176 HB3 SER 135 HB2 SER 135 11.108 5.683 -7.622 1177 HG SER 135 HG SER 135 12.921 6.421 -8.357 1178 H THR 136 H THR 136 8.748 7.080 -5.243 1179 HA THR 136 HA THR 136 10.082 8.752 -3.226 1180 HB THR 136 HB THR 136 8.086 9.962 -3.919 1181 HG1 THR 136 HG1 THR 136 8.640 9.898 -1.656 1182 HG21 THR 136 HG21 THR 136 6.797 8.062 -4.793 1183 HG22 THR 136 HG22 THR 136 5.854 9.039 -3.670 1184 HG23 THR 136 HG23 THR 136 6.532 7.497 -3.142 1185 H SER 137 H SER 137 10.261 7.870 -1.224 1186 HA SER 137 HA SER 137 9.324 5.106 -0.941 1187 HB2 SER 137 HB3 SER 137 11.377 6.497 0.786 1188 HB3 SER 137 HB2 SER 137 11.066 4.768 0.659 1189 HG SER 137 HG SER 137 11.580 5.528 -1.775 1190 H ARG 138 H ARG 138 7.618 4.778 0.232 1191 HA ARG 138 HA ARG 138 6.692 6.825 2.115 1192 HB2 ARG 138 HB3 ARG 138 5.341 5.574 0.188 1193 HB3 ARG 138 HB2 ARG 138 5.145 4.362 1.437 1194 HG2 ARG 138 HG3 ARG 138 3.230 5.690 1.534 1195 HG3 ARG 138 HG2 ARG 138 4.223 6.192 2.900 1196 HD2 ARG 138 HD3 ARG 138 4.859 8.190 1.835 1197 HD3 ARG 138 HD2 ARG 138 4.305 7.622 0.259 1198 HE ARG 138 HE ARG 138 2.004 7.631 1.452 1199 HH11 ARG 138 HH11 ARG 138 4.562 9.998 1.864 1200 HH12 ARG 138 HH12 ARG 138 3.486 11.275 2.326 1201 HH21 ARG 138 HH21 ARG 138 0.591 9.330 2.055 1202 HH22 ARG 138 HH22 ARG 138 1.232 10.896 2.430 1203 H TYR 139 H TYR 139 7.340 6.532 4.193 1204 HA TYR 139 HA TYR 139 8.233 3.859 4.987 1205 HB2 TYR 139 HB3 TYR 139 8.724 6.561 6.248 1206 HB3 TYR 139 HB2 TYR 139 9.355 5.037 6.865 1207 HD1 TYR 139 HD1 TYR 139 9.710 7.638 4.357 1208 HD2 TYR 139 HD2 TYR 139 11.072 3.806 5.598 1209 HE1 TYR 139 HE1 TYR 139 11.674 7.870 2.896 1210 HE2 TYR 139 HE2 TYR 139 13.038 4.026 4.142 1211 HH TYR 139 HH TYR 139 13.999 6.935 2.779 1212 H TYR 140 H TYR 140 6.786 2.652 5.964 1213 HA TYR 140 HA TYR 140 4.929 3.903 7.864 1214 HB2 TYR 140 HB3 TYR 140 4.802 1.321 6.315 1215 HB3 TYR 140 HB2 TYR 140 3.724 1.664 7.659 1216 HD1 TYR 140 HD1 TYR 140 1.787 2.930 7.345 1217 HD2 TYR 140 HD2 TYR 140 4.778 2.902 4.319 1218 HE1 TYR 140 HE1 TYR 140 0.265 4.124 5.838 1219 HE2 TYR 140 HE2 TYR 140 3.256 4.092 2.800 1220 HH TYR 140 HH TYR 140 1.222 4.988 2.519 1221 H LYS 141 H LYS 141 4.981 3.377 9.958 1222 HA LYS 141 HA LYS 141 6.784 1.207 10.807 1223 HB2 LYS 141 HB3 LYS 141 7.002 2.309 12.913 1224 HB3 LYS 141 HB2 LYS 141 7.384 3.459 11.642 1225 HG2 LYS 141 HG3 LYS 141 5.681 4.807 12.177 1226 HG3 LYS 141 HG2 LYS 141 4.578 3.458 12.477 1227 HD2 LYS 141 HD3 LYS 141 5.115 4.786 14.504 1228 HD3 LYS 141 HD2 LYS 141 5.531 3.083 14.637 1229 HE2 LYS 141 HE3 LYS 141 7.849 3.618 14.022 1230 HE3 LYS 141 HE2 LYS 141 7.429 5.330 13.997 1231 HZ1 LYS 141 HZ1 LYS 141 6.857 5.191 16.345 1232 HZ2 LYS 141 HZ2 LYS 141 8.458 4.713 16.087 1233 HZ3 LYS 141 HZ3 LYS 141 7.268 3.548 16.367 1234 H LYS 142 H LYS 142 5.931 -0.080 12.652 1235 HA LYS 142 HA LYS 142 3.404 -1.054 12.555 1236 HB2 LYS 142 HB3 LYS 142 5.157 -1.957 13.989 1237 HB3 LYS 142 HB2 LYS 142 5.080 -0.544 15.022 1238 HG2 LYS 142 HG3 LYS 142 3.990 -2.303 16.156 1239 HG3 LYS 142 HG2 LYS 142 2.733 -1.201 15.598 1240 HD2 LYS 142 HD3 LYS 142 2.195 -2.671 13.765 1241 HD3 LYS 142 HD2 LYS 142 3.550 -3.726 14.166 1242 HE2 LYS 142 HE3 LYS 142 1.478 -4.692 14.969 1243 HE3 LYS 142 HE2 LYS 142 2.501 -4.232 16.327 1244 HZ1 LYS 142 HZ1 LYS 142 1.166 -2.178 16.526 1245 HZ2 LYS 142 HZ2 LYS 142 0.259 -3.584 16.771 1246 HZ3 LYS 142 HZ3 LYS 142 0.139 -2.753 15.310 1247 H GLN 143 H GLN 143 1.276 -0.507 13.542 1248 HA GLN 143 HA GLN 143 1.090 2.059 14.818 1249 HB2 GLN 143 HB3 GLN 143 -0.864 -0.246 14.809 1250 HB3 GLN 143 HB2 GLN 143 -1.204 1.377 15.387 1251 HG2 GLN 143 HG3 GLN 143 -0.304 1.893 12.889 1252 HG3 GLN 143 HG2 GLN 143 -1.099 0.333 12.661 1253 HE21 GLN 143 HE21 GLN 143 -1.478 3.614 13.642 1254 HE22 GLN 143 HE22 GLN 143 -3.191 3.681 13.501 1255 H21 OLA1001 H21 OLA1001 -1.458 6.637 -0.850 1256 H22 OLA1001 H22 OLA1001 0.168 7.019 -1.412 1257 H31 OLA1001 H31 OLA1001 0.470 8.566 0.432 1258 H32 OLA1001 H32 OLA1001 -1.125 8.152 1.065 1259 H41 OLA1001 H41 OLA1001 -0.781 9.195 -1.721 1260 H42 OLA1001 H42 OLA1001 -0.887 10.291 -0.343 1261 H51 OLA1001 H51 OLA1001 -2.948 8.162 -0.671 1262 H52 OLA1001 H52 OLA1001 -3.036 9.611 -1.672 1263 H61 OLA1001 H61 OLA1001 -3.091 11.017 0.287 1264 H62 OLA1001 H62 OLA1001 -2.872 9.616 1.335 1265 H71 OLA1001 H71 OLA1001 -5.217 10.402 1.231 1266 H72 OLA1001 H72 OLA1001 -5.012 8.735 0.702 1267 H81 OLA1001 H81 OLA1001 -6.537 9.894 -0.764 1268 H82 OLA1001 H82 OLA1001 -5.073 9.450 -1.618 1269 H9 OLA1001 H9 OLA1001 -4.608 12.101 -0.815 1270 H10 OLA1001 H10 OLA1001 -5.822 13.050 -2.627 1271 H111 OLA1001 H111 OLA1001 -7.975 11.686 -2.918 1272 H112 OLA1001 H112 OLA1001 -6.977 10.245 -2.901 1273 H121 OLA1001 H121 OLA1001 -6.873 12.446 -4.956 1274 H122 OLA1001 H122 OLA1001 -7.602 10.852 -5.167 1275 H131 OLA1001 H131 OLA1001 -4.686 11.380 -4.590 1276 H132 OLA1001 H132 OLA1001 -5.360 10.994 -6.175 1277 H141 OLA1001 H141 OLA1001 -6.135 8.832 -5.314 1278 H142 OLA1001 H142 OLA1001 -5.444 9.215 -3.740 1279 H151 OLA1001 H151 OLA1001 -3.930 8.894 -6.326 1280 H152 OLA1001 H152 OLA1001 -3.955 7.756 -4.977 1281 H161 OLA1001 H161 OLA1001 -3.005 9.566 -3.540 1282 H162 OLA1001 H162 OLA1001 -2.826 10.547 -4.993 1283 H171 OLA1001 H171 OLA1001 -1.349 8.893 -5.966 1284 H172 OLA1001 H172 OLA1001 -1.566 7.846 -4.563 1285 H181 OLA1001 H181 OLA1001 0.279 8.798 -3.771 1286 H182 OLA1001 H182 OLA1001 -0.736 10.209 -3.444 1287 H183 OLA1001 H183 OLA1001 0.201 10.121 -4.945 Start of MODEL 15 1 H1 MET -11 H1 MET -11 2.046 -25.055 -20.432 2 H2 MET -11 H2 MET -11 2.761 -24.656 -18.956 3 H3 MET -11 H3 MET -11 1.100 -24.443 -19.175 4 HA MET -11 HA MET -11 2.524 -27.035 -19.188 5 HB2 MET -11 HB3 MET -11 0.760 -25.725 -17.119 6 HB3 MET -11 HB2 MET -11 1.155 -27.435 -17.104 7 HG2 MET -11 HG3 MET -11 3.134 -25.177 -16.927 8 HG3 MET -11 HG2 MET -11 2.559 -26.155 -15.579 9 HE1 MET -11 HE1 MET -11 6.215 -27.435 -15.921 10 HE2 MET -11 HE2 MET -11 4.977 -26.826 -14.822 11 HE3 MET -11 HE3 MET -11 5.629 -25.782 -16.087 12 H ARG -10 H ARG -10 -0.781 -25.978 -18.392 13 HA ARG -10 HA ARG -10 -1.741 -27.858 -20.446 14 HB2 ARG -10 HB3 ARG -10 -2.915 -27.193 -17.749 15 HB3 ARG -10 HB2 ARG -10 -3.802 -28.054 -18.995 16 HG2 ARG -10 HG3 ARG -10 -2.214 -29.865 -18.935 17 HG3 ARG -10 HG2 ARG -10 -1.205 -28.981 -17.790 18 HD2 ARG -10 HD3 ARG -10 -2.880 -29.124 -16.095 19 HD3 ARG -10 HD2 ARG -10 -4.057 -29.768 -17.237 20 HE ARG -10 HE ARG -10 -2.333 -31.692 -17.398 21 HH11 ARG -10 HH11 ARG -10 -3.099 -29.885 -14.500 22 HH12 ARG -10 HH12 ARG -10 -2.807 -31.224 -13.438 23 HH21 ARG -10 HH21 ARG -10 -1.952 -33.453 -16.001 24 HH22 ARG -10 HH22 ARG -10 -2.148 -33.252 -14.288 25 H GLY -9 H GLY -9 -3.070 -25.169 -18.513 26 HA2 GLY -9 HA3 GLY -9 -3.513 -23.514 -20.786 27 HA3 GLY -9 HA2 GLY -9 -4.993 -24.340 -20.314 28 H SER -8 H SER -8 -3.192 -21.597 -19.887 29 HA SER -8 HA SER -8 -3.799 -21.143 -17.109 30 HB2 SER -8 HB3 SER -8 -1.753 -20.233 -18.279 31 HB3 SER -8 HB2 SER -8 -2.820 -19.128 -19.143 32 HG SER -8 HG SER -8 -2.257 -19.244 -16.372 33 H HIS -7 H HIS -7 -6.077 -21.428 -17.200 34 HA HIS -7 HA HIS -7 -7.789 -19.784 -18.744 35 HB2 HIS -7 HB3 HIS -7 -8.260 -21.357 -16.211 36 HB3 HIS -7 HB2 HIS -7 -9.532 -20.456 -17.023 37 HD1 HIS -7 HD1 HIS -7 -10.662 -21.563 -18.971 38 HD2 HIS -7 HD2 HIS -7 -7.257 -23.593 -17.722 39 HE1 HIS -7 HE1 HIS -7 -10.693 -23.753 -20.203 40 HE2 HIS -7 HE2 HIS -7 -8.741 -25.042 -19.270 41 H HIS -6 H HIS -6 -7.663 -19.713 -15.190 42 HA HIS -6 HA HIS -6 -7.528 -16.778 -15.391 43 HB2 HIS -6 HB3 HIS -6 -9.714 -17.691 -14.535 44 HB3 HIS -6 HB2 HIS -6 -8.837 -18.323 -13.146 45 HD1 HIS -6 HD1 HIS -6 -9.822 -16.847 -11.351 46 HD2 HIS -6 HD2 HIS -6 -8.321 -14.692 -14.572 47 HE1 HIS -6 HE1 HIS -6 -9.895 -14.435 -10.644 48 HE2 HIS -6 HE2 HIS -6 -9.175 -13.147 -12.688 49 H HIS -5 H HIS -5 -6.079 -19.622 -14.177 50 HA HIS -5 HA HIS -5 -4.571 -18.325 -12.088 51 HB2 HIS -5 HB3 HIS -5 -4.127 -21.010 -13.399 52 HB3 HIS -5 HB2 HIS -5 -3.288 -20.412 -11.977 53 HD1 HIS -5 HD1 HIS -5 -4.647 -20.326 -9.743 54 HD2 HIS -5 HD2 HIS -5 -6.663 -22.046 -12.936 55 HE1 HIS -5 HE1 HIS -5 -6.599 -21.546 -8.735 56 HE2 HIS -5 HE2 HIS -5 -7.891 -22.436 -10.703 57 H HIS -4 H HIS -4 -3.896 -16.548 -13.511 58 HA HIS -4 HA HIS -4 -2.048 -17.177 -15.646 59 HB2 HIS -4 HB3 HIS -4 -2.950 -14.515 -14.529 60 HB3 HIS -4 HB2 HIS -4 -1.918 -14.713 -15.938 61 HD1 HIS -4 HD1 HIS -4 -5.203 -13.878 -15.268 62 HD2 HIS -4 HD2 HIS -4 -3.494 -16.689 -17.810 63 HE1 HIS -4 HE1 HIS -4 -6.944 -14.355 -17.015 64 HE2 HIS -4 HE2 HIS -4 -5.957 -16.189 -18.428 65 H HIS -3 H HIS -3 -1.914 -15.639 -12.455 66 HA HIS -3 HA HIS -3 0.991 -16.083 -12.457 67 HB2 HIS -3 HB3 HIS -3 -0.439 -13.512 -11.825 68 HB3 HIS -3 HB2 HIS -3 1.160 -13.858 -11.180 69 HD1 HIS -3 HD1 HIS -3 3.138 -13.806 -12.822 70 HD2 HIS -3 HD2 HIS -3 -0.528 -12.884 -14.549 71 HE1 HIS -3 HE1 HIS -3 3.677 -12.821 -15.068 72 HE2 HIS -3 HE2 HIS -3 1.452 -12.131 -16.029 73 H HIS -2 H HIS -2 -0.458 -17.907 -11.185 74 HA HIS -2 HA HIS -2 -0.598 -16.987 -8.394 75 HB2 HIS -2 HB3 HIS -2 -2.627 -18.105 -9.574 76 HB3 HIS -2 HB2 HIS -2 -1.740 -19.606 -9.313 77 HD1 HIS -2 HD1 HIS -2 -1.499 -20.435 -6.865 78 HD2 HIS -2 HD2 HIS -2 -3.681 -16.919 -7.261 79 HE1 HIS -2 HE1 HIS -2 -2.598 -20.068 -4.638 80 HE2 HIS -2 HE2 HIS -2 -4.034 -18.030 -4.952 81 H GLY -1 H GLY -1 1.839 -17.717 -9.856 82 HA2 GLY -1 HA3 GLY -1 2.752 -20.124 -8.512 83 HA3 GLY -1 HA2 GLY -1 3.722 -19.051 -9.516 84 H SER 0 H SER 0 1.905 -18.897 -6.469 85 HA SER 0 HA SER 0 4.115 -17.320 -5.318 86 HB2 SER 0 HB3 SER 0 1.168 -17.058 -4.699 87 HB3 SER 0 HB2 SER 0 2.472 -16.072 -4.041 88 HG SER 0 HG SER 0 2.884 -15.354 -6.200 89 H LYS 1 H LYS 1 3.667 -17.182 -2.837 90 HA LYS 1 HA LYS 1 3.030 -19.851 -1.821 91 HB2 LYS 1 HB3 LYS 1 4.792 -19.078 0.004 92 HB3 LYS 1 HB2 LYS 1 5.280 -19.908 -1.470 93 HG2 LYS 1 HG3 LYS 1 5.844 -17.858 -2.516 94 HG3 LYS 1 HG2 LYS 1 5.206 -16.917 -1.172 95 HD2 LYS 1 HD3 LYS 1 7.520 -18.846 -0.977 96 HD3 LYS 1 HD2 LYS 1 7.689 -17.100 -1.163 97 HE2 LYS 1 HE3 LYS 1 6.519 -16.755 0.949 98 HE3 LYS 1 HE2 LYS 1 6.308 -18.496 1.129 99 HZ1 LYS 1 HZ1 LYS 1 8.902 -17.055 1.065 100 HZ2 LYS 1 HZ2 LYS 1 8.717 -18.731 1.204 101 HZ3 LYS 1 HZ3 LYS 1 8.166 -17.715 2.437 102 H THR 2 H THR 2 3.293 -19.289 0.842 103 HA THR 2 HA THR 2 0.946 -17.867 1.536 104 HB THR 2 HB THR 2 3.269 -18.557 3.352 105 HG1 THR 2 HG1 THR 2 1.244 -20.126 2.208 106 HG21 THR 2 HG21 THR 2 1.665 -17.033 4.374 107 HG22 THR 2 HG22 THR 2 1.529 -18.634 5.103 108 HG23 THR 2 HG23 THR 2 0.334 -18.099 3.920 109 H LEU 3 H LEU 3 0.723 -15.827 2.476 110 HA LEU 3 HA LEU 3 2.631 -13.838 1.722 111 HB2 LEU 3 HB3 LEU 3 0.071 -13.621 1.945 112 HB3 LEU 3 HB2 LEU 3 0.351 -13.476 3.663 113 HG LEU 3 HG LEU 3 0.006 -11.316 2.401 114 HD11 LEU 3 HD11 LEU 3 1.039 -11.422 4.630 115 HD12 LEU 3 HD12 LEU 3 1.648 -10.095 3.643 116 HD13 LEU 3 HD13 LEU 3 2.621 -11.550 3.863 117 HD21 LEU 3 HD21 LEU 3 2.783 -11.905 1.421 118 HD22 LEU 3 HD22 LEU 3 1.915 -10.385 1.227 119 HD23 LEU 3 HD23 LEU 3 1.326 -11.847 0.429 120 HA PRO 4 HA PRO 4 5.260 -14.672 5.291 121 HB2 PRO 4 HB3 PRO 4 6.449 -12.125 4.296 122 HB3 PRO 4 HB2 PRO 4 7.243 -13.646 4.728 123 HG2 PRO 4 HG3 PRO 4 6.932 -12.997 2.179 124 HG3 PRO 4 HG2 PRO 4 6.669 -14.667 2.714 125 HD2 PRO 4 HD3 PRO 4 4.656 -12.551 2.053 126 HD3 PRO 4 HD2 PRO 4 4.629 -14.287 1.682 127 H ASP 5 H ASP 5 4.712 -14.181 7.257 128 HA ASP 5 HA ASP 5 2.836 -12.321 8.014 129 HB2 ASP 5 HB3 ASP 5 5.002 -13.485 9.770 130 HB3 ASP 5 HB2 ASP 5 3.478 -12.799 10.320 131 H LYS 6 H LYS 6 6.230 -11.798 7.567 132 HA LYS 6 HA LYS 6 6.635 -9.571 9.179 133 HB2 LYS 6 HB3 LYS 6 8.440 -8.960 7.575 134 HB3 LYS 6 HB2 LYS 6 8.506 -10.628 8.119 135 HG2 LYS 6 HG3 LYS 6 7.584 -11.399 6.033 136 HG3 LYS 6 HG2 LYS 6 7.337 -9.739 5.491 137 HD2 LYS 6 HD3 LYS 6 9.330 -10.705 4.467 138 HD3 LYS 6 HD2 LYS 6 9.755 -9.363 5.529 139 HE2 LYS 6 HE3 LYS 6 11.317 -11.189 5.830 140 HE3 LYS 6 HE2 LYS 6 10.357 -10.973 7.290 141 HZ1 LYS 6 HZ1 LYS 6 10.597 -13.307 6.717 142 HZ2 LYS 6 HZ2 LYS 6 9.886 -13.038 5.209 143 HZ3 LYS 6 HZ3 LYS 6 8.979 -12.836 6.616 144 H PHE 7 H PHE 7 4.842 -9.823 6.173 145 HA PHE 7 HA PHE 7 4.885 -6.955 5.711 146 HB2 PHE 7 HB3 PHE 7 3.329 -9.170 4.356 147 HB3 PHE 7 HB2 PHE 7 3.360 -7.493 3.830 148 HD1 PHE 7 HD1 PHE 7 5.929 -6.599 3.630 149 HD2 PHE 7 HD2 PHE 7 4.584 -10.601 3.107 150 HE1 PHE 7 HE1 PHE 7 7.897 -7.075 2.238 151 HE2 PHE 7 HE2 PHE 7 6.552 -11.081 1.715 152 HZ PHE 7 HZ PHE 7 8.187 -9.329 1.251 153 H LEU 8 H LEU 8 3.278 -8.936 7.826 154 HA LEU 8 HA LEU 8 0.656 -7.733 7.378 155 HB2 LEU 8 HB3 LEU 8 1.446 -10.171 8.969 156 HB3 LEU 8 HB2 LEU 8 -0.197 -9.586 8.759 157 HG LEU 8 HG LEU 8 1.590 -10.493 6.499 158 HD11 LEU 8 HD11 LEU 8 0.931 -12.331 8.032 159 HD12 LEU 8 HD12 LEU 8 0.315 -12.492 6.387 160 HD13 LEU 8 HD13 LEU 8 -0.756 -11.952 7.684 161 HD21 LEU 8 HD21 LEU 8 -0.669 -10.558 5.326 162 HD22 LEU 8 HD22 LEU 8 0.068 -8.984 5.611 163 HD23 LEU 8 HD23 LEU 8 -1.246 -9.542 6.650 164 H GLY 9 H GLY 9 -0.490 -6.774 8.994 165 HA2 GLY 9 HA3 GLY 9 -0.426 -6.391 11.546 166 HA3 GLY 9 HA2 GLY 9 1.161 -5.721 11.192 167 H THR 10 H THR 10 -0.277 -3.964 12.385 168 HA THR 10 HA THR 10 -1.528 -2.293 10.317 169 HB THR 10 HB THR 10 -1.751 -1.891 13.301 170 HG1 THR 10 HG1 THR 10 -2.555 -4.025 12.368 171 HG21 THR 10 HG21 THR 10 -3.461 -1.035 10.968 172 HG22 THR 10 HG22 THR 10 -2.372 -0.002 11.890 173 HG23 THR 10 HG23 THR 10 -3.798 -0.691 12.665 174 H PHE 11 H PHE 11 -0.430 -0.513 9.688 175 HA PHE 11 HA PHE 11 1.823 0.377 11.381 176 HB2 PHE 11 HB3 PHE 11 1.758 0.342 8.356 177 HB3 PHE 11 HB2 PHE 11 3.128 0.767 9.373 178 HD1 PHE 11 HD1 PHE 11 4.421 -0.948 10.499 179 HD2 PHE 11 HD2 PHE 11 1.111 -1.960 8.022 180 HE1 PHE 11 HE1 PHE 11 5.170 -3.290 10.457 181 HE2 PHE 11 HE2 PHE 11 1.857 -4.303 7.975 182 HZ PHE 11 HZ PHE 11 3.891 -4.971 9.195 183 H LYS 12 H LYS 12 2.008 2.570 11.779 184 HA LYS 12 HA LYS 12 0.259 4.328 10.184 185 HB2 LYS 12 HB3 LYS 12 0.561 6.002 11.922 186 HB3 LYS 12 HB2 LYS 12 -0.045 4.501 12.601 187 HG2 LYS 12 HG3 LYS 12 2.235 3.950 13.347 188 HG3 LYS 12 HG2 LYS 12 2.783 5.506 12.726 189 HD2 LYS 12 HD3 LYS 12 0.746 5.059 14.902 190 HD3 LYS 12 HD2 LYS 12 2.394 5.648 15.118 191 HE2 LYS 12 HE3 LYS 12 0.198 7.047 13.591 192 HE3 LYS 12 HE2 LYS 12 0.759 7.472 15.206 193 HZ1 LYS 12 HZ1 LYS 12 2.407 7.564 12.736 194 HZ2 LYS 12 HZ2 LYS 12 2.924 8.005 14.281 195 HZ3 LYS 12 HZ3 LYS 12 1.719 8.902 13.503 196 H LEU 13 H LEU 13 1.077 5.754 8.796 197 HA LEU 13 HA LEU 13 3.595 5.625 7.722 198 HB2 LEU 13 HB3 LEU 13 1.443 6.811 6.928 199 HB3 LEU 13 HB2 LEU 13 2.035 8.191 7.823 200 HG LEU 13 HG LEU 13 3.604 6.887 5.600 201 HD11 LEU 13 HD11 LEU 13 1.493 7.675 4.713 202 HD12 LEU 13 HD12 LEU 13 2.804 8.736 4.198 203 HD13 LEU 13 HD13 LEU 13 1.719 9.237 5.497 204 HD21 LEU 13 HD21 LEU 13 4.788 9.023 5.560 205 HD22 LEU 13 HD22 LEU 13 4.918 8.256 7.143 206 HD23 LEU 13 HD23 LEU 13 3.804 9.602 6.903 207 H GLU 14 H GLU 14 5.583 6.166 8.423 208 HA GLU 14 HA GLU 14 5.865 7.839 10.773 209 HB2 GLU 14 HB3 GLU 14 7.084 5.656 10.464 210 HB3 GLU 14 HB2 GLU 14 8.000 6.419 9.174 211 HG2 GLU 14 HG3 GLU 14 9.336 6.465 11.131 212 HG3 GLU 14 HG2 GLU 14 8.779 8.111 10.834 213 H ARG 15 H ARG 15 7.229 7.711 7.478 214 HA ARG 15 HA ARG 15 7.181 10.574 7.243 215 HB2 ARG 15 HB3 ARG 15 9.513 11.001 7.154 216 HB3 ARG 15 HB2 ARG 15 9.261 10.062 8.618 217 HG2 ARG 15 HG3 ARG 15 9.941 8.032 7.349 218 HG3 ARG 15 HG2 ARG 15 10.349 9.084 5.991 219 HD2 ARG 15 HD3 ARG 15 11.826 10.345 7.656 220 HD3 ARG 15 HD2 ARG 15 11.613 8.955 8.716 221 HE ARG 15 HE ARG 15 12.870 8.856 6.047 222 HH11 ARG 15 HH11 ARG 15 12.528 7.621 9.314 223 HH12 ARG 15 HH12 ARG 15 13.842 6.501 9.164 224 HH21 ARG 15 HH21 ARG 15 14.607 7.393 5.859 225 HH22 ARG 15 HH22 ARG 15 15.023 6.374 7.200 226 H ASP 16 H ASP 16 8.544 11.135 5.108 227 HA ASP 16 HA ASP 16 8.131 8.994 3.146 228 HB2 ASP 16 HB3 ASP 16 6.864 10.336 1.679 229 HB3 ASP 16 HB2 ASP 16 6.150 10.608 3.265 230 H GLU 17 H GLU 17 9.001 9.755 0.940 231 HA GLU 17 HA GLU 17 11.207 11.619 1.064 232 HB2 GLU 17 HB3 GLU 17 12.170 9.548 2.014 233 HB3 GLU 17 HB2 GLU 17 11.706 8.678 0.560 234 HG2 GLU 17 HG3 GLU 17 13.171 10.223 -0.737 235 HG3 GLU 17 HG2 GLU 17 13.730 10.887 0.797 236 H ASN 18 H ASN 18 10.736 12.748 -0.726 237 HA ASN 18 HA ASN 18 10.682 13.267 -2.948 238 HB2 ASN 18 HB3 ASN 18 12.403 11.395 -3.098 239 HB3 ASN 18 HB2 ASN 18 11.079 10.337 -3.566 240 HD21 ASN 18 HD21 ASN 18 11.877 9.922 -5.581 241 HD22 ASN 18 HD22 ASN 18 11.933 11.116 -6.837 242 H PHE 19 H PHE 19 8.395 12.244 -1.336 243 HA PHE 19 HA PHE 19 6.702 10.751 -3.104 244 HB2 PHE 19 HB3 PHE 19 6.546 10.583 -0.625 245 HB3 PHE 19 HB2 PHE 19 5.918 12.227 -0.585 246 HD1 PHE 19 HD1 PHE 19 5.247 8.918 -2.150 247 HD2 PHE 19 HD2 PHE 19 3.632 12.555 -0.646 248 HE1 PHE 19 HE1 PHE 19 2.973 8.045 -2.494 249 HE2 PHE 19 HE2 PHE 19 1.357 11.690 -0.987 250 HZ PHE 19 HZ PHE 19 1.020 9.429 -1.917 251 H ASP 20 H ASP 20 6.925 14.150 -2.128 252 HA ASP 20 HA ASP 20 4.663 15.113 -3.421 253 HB2 ASP 20 HB3 ASP 20 6.041 16.446 -1.873 254 HB3 ASP 20 HB2 ASP 20 7.326 16.504 -3.074 255 H GLU 21 H GLU 21 7.994 14.941 -4.676 256 HA GLU 21 HA GLU 21 7.561 15.808 -7.259 257 HB2 GLU 21 HB3 GLU 21 9.440 13.649 -6.322 258 HB3 GLU 21 HB2 GLU 21 9.506 14.414 -7.904 259 HG2 GLU 21 HG3 GLU 21 9.877 15.770 -5.256 260 HG3 GLU 21 HG2 GLU 21 11.137 15.365 -6.410 261 H TYR 22 H TYR 22 7.200 12.548 -5.940 262 HA TYR 22 HA TYR 22 6.517 11.222 -8.301 263 HB2 TYR 22 HB3 TYR 22 7.046 10.013 -6.269 264 HB3 TYR 22 HB2 TYR 22 5.644 10.699 -5.454 265 HD1 TYR 22 HD1 TYR 22 3.532 9.670 -5.612 266 HD2 TYR 22 HD2 TYR 22 6.670 8.440 -8.203 267 HE1 TYR 22 HE1 TYR 22 2.167 7.767 -6.354 268 HE2 TYR 22 HE2 TYR 22 5.314 6.529 -8.945 269 HH TYR 22 HH TYR 22 1.956 6.172 -7.972 270 H LEU 23 H LEU 23 4.524 13.067 -6.041 271 HA LEU 23 HA LEU 23 2.015 12.319 -7.103 272 HB2 LEU 23 HB3 LEU 23 2.878 14.796 -5.612 273 HB3 LEU 23 HB2 LEU 23 1.209 14.430 -6.009 274 HG LEU 23 HG LEU 23 3.006 12.791 -4.221 275 HD11 LEU 23 HD11 LEU 23 1.497 13.506 -2.451 276 HD12 LEU 23 HD12 LEU 23 0.588 14.479 -3.605 277 HD13 LEU 23 HD13 LEU 23 2.258 14.896 -3.225 278 HD21 LEU 23 HD21 LEU 23 0.115 12.402 -4.992 279 HD22 LEU 23 HD22 LEU 23 0.984 11.482 -3.765 280 HD23 LEU 23 HD23 LEU 23 1.468 11.368 -5.454 281 H LYS 24 H LYS 24 4.252 14.945 -7.854 282 HA LYS 24 HA LYS 24 2.634 16.364 -9.666 283 HB2 LYS 24 HB3 LYS 24 5.640 16.029 -9.634 284 HB3 LYS 24 HB2 LYS 24 4.767 17.240 -10.561 285 HG2 LYS 24 HG3 LYS 24 4.017 18.316 -8.557 286 HG3 LYS 24 HG2 LYS 24 4.704 17.027 -7.563 287 HD2 LYS 24 HD3 LYS 24 6.938 17.609 -8.327 288 HD3 LYS 24 HD2 LYS 24 6.267 18.867 -9.364 289 HE2 LYS 24 HE3 LYS 24 5.507 20.111 -7.466 290 HE3 LYS 24 HE2 LYS 24 5.942 18.798 -6.372 291 HZ1 LYS 24 HZ1 LYS 24 7.874 20.321 -8.030 292 HZ2 LYS 24 HZ2 LYS 24 8.249 19.133 -6.880 293 HZ3 LYS 24 HZ3 LYS 24 7.573 20.608 -6.393 294 H ALA 25 H ALA 25 5.015 13.823 -10.149 295 HA ALA 25 HA ALA 25 4.823 13.541 -12.921 296 HB1 ALA 25 HB1 ALA 25 5.402 11.394 -10.881 297 HB2 ALA 25 HB2 ALA 25 6.586 12.493 -11.589 298 HB3 ALA 25 HB3 ALA 25 5.765 11.309 -12.605 299 H ARG 26 H ARG 26 2.856 12.217 -10.345 300 HA ARG 26 HA ARG 26 1.352 10.452 -12.020 301 HB2 ARG 26 HB3 ARG 26 0.984 11.451 -9.209 302 HB3 ARG 26 HB2 ARG 26 -0.221 10.435 -9.989 303 HG2 ARG 26 HG3 ARG 26 2.666 9.640 -9.776 304 HG3 ARG 26 HG2 ARG 26 1.475 9.266 -8.528 305 HD2 ARG 26 HD3 ARG 26 1.019 8.536 -11.402 306 HD3 ARG 26 HD2 ARG 26 1.939 7.492 -10.321 307 HE ARG 26 HE ARG 26 -0.099 7.472 -8.884 308 HH11 ARG 26 HH11 ARG 26 -0.406 8.115 -12.330 309 HH12 ARG 26 HH12 ARG 26 -2.000 7.429 -12.435 310 HH21 ARG 26 HH21 ARG 26 -2.182 6.573 -9.036 311 HH22 ARG 26 HH22 ARG 26 -3.005 6.565 -10.573 312 H GLY 27 H GLY 27 1.304 13.791 -11.678 313 HA2 GLY 27 HA3 GLY 27 -0.042 14.951 -13.345 314 HA3 GLY 27 HA2 GLY 27 -1.354 13.845 -12.962 315 H TYR 28 H TYR 28 -0.104 14.405 -10.054 316 HA TYR 28 HA TYR 28 -2.160 16.291 -9.367 317 HB2 TYR 28 HB3 TYR 28 0.023 15.140 -7.616 318 HB3 TYR 28 HB2 TYR 28 -1.476 15.885 -7.079 319 HD1 TYR 28 HD1 TYR 28 0.097 12.849 -7.449 320 HD2 TYR 28 HD2 TYR 28 -3.646 14.690 -8.263 321 HE1 TYR 28 HE1 TYR 28 -0.978 10.642 -7.462 322 HE2 TYR 28 HE2 TYR 28 -4.733 12.487 -8.274 323 HH TYR 28 HH TYR 28 -3.172 9.662 -7.151 324 H GLY 29 H GLY 29 -1.774 18.318 -10.032 325 HA2 GLY 29 HA3 GLY 29 0.829 19.373 -10.427 326 HA3 GLY 29 HA2 GLY 29 -0.678 20.266 -10.534 327 H TRP 30 H TRP 30 -1.695 20.312 -8.076 328 HA TRP 30 HA TRP 30 0.349 20.984 -6.142 329 HB2 TRP 30 HB3 TRP 30 0.339 23.023 -7.443 330 HB3 TRP 30 HB2 TRP 30 -1.415 23.120 -7.354 331 HD1 TRP 30 HD1 TRP 30 1.702 23.542 -5.114 332 HE1 TRP 30 HE1 TRP 30 1.059 25.060 -3.132 333 HE3 TRP 30 HE3 TRP 30 -3.305 23.962 -6.012 334 HZ2 TRP 30 HZ2 TRP 30 -1.276 26.271 -2.093 335 HZ3 TRP 30 HZ3 TRP 30 -4.673 25.316 -4.485 336 HH2 TRP 30 HH2 TRP 30 -3.681 26.442 -2.569 337 H ILE 31 H ILE 31 -3.102 21.497 -6.905 338 HA ILE 31 HA ILE 31 -4.054 21.703 -4.322 339 HB ILE 31 HB ILE 31 -5.272 20.971 -6.918 340 HG12 ILE 31 HG13 ILE 31 -5.076 23.301 -6.087 341 HG13 ILE 31 HG12 ILE 31 -6.746 22.819 -6.379 342 HG21 ILE 31 HG21 ILE 31 -7.452 20.468 -5.914 343 HG22 ILE 31 HG22 ILE 31 -6.705 20.474 -4.315 344 HG23 ILE 31 HG23 ILE 31 -6.242 19.253 -5.500 345 HD11 ILE 31 HD11 ILE 31 -6.560 24.066 -4.319 346 HD12 ILE 31 HD12 ILE 31 -5.363 22.920 -3.717 347 HD13 ILE 31 HD13 ILE 31 -7.019 22.394 -3.992 348 H MET 32 H MET 32 -4.001 18.741 -6.290 349 HA MET 32 HA MET 32 -4.894 17.050 -4.273 350 HB2 MET 32 HB3 MET 32 -3.222 16.502 -6.709 351 HB3 MET 32 HB2 MET 32 -3.770 15.224 -5.632 352 HG2 MET 32 HG3 MET 32 -5.409 17.050 -7.351 353 HG3 MET 32 HG2 MET 32 -5.306 15.297 -7.412 354 HE1 MET 32 HE1 MET 32 -5.285 14.903 -4.152 355 HE2 MET 32 HE2 MET 32 -6.112 13.777 -5.232 356 HE3 MET 32 HE3 MET 32 -6.976 14.490 -3.865 357 H ARG 33 H ARG 33 -1.628 18.139 -5.055 358 HA ARG 33 HA ARG 33 -0.283 16.383 -3.306 359 HB2 ARG 33 HB3 ARG 33 0.470 19.110 -4.349 360 HB3 ARG 33 HB2 ARG 33 1.527 18.161 -3.313 361 HG2 ARG 33 HG3 ARG 33 1.387 16.328 -5.019 362 HG3 ARG 33 HG2 ARG 33 0.563 17.477 -6.076 363 HD2 ARG 33 HD3 ARG 33 3.295 17.897 -4.872 364 HD3 ARG 33 HD2 ARG 33 2.999 17.301 -6.502 365 HE ARG 33 HE ARG 33 2.019 19.444 -7.035 366 HH11 ARG 33 HH11 ARG 33 3.924 19.301 -4.083 367 HH12 ARG 33 HH12 ARG 33 4.154 21.025 -4.023 368 HH21 ARG 33 HH21 ARG 33 2.373 21.681 -6.968 369 HH22 ARG 33 HH22 ARG 33 3.295 22.368 -5.668 370 H GLN 34 H GLN 34 -1.997 19.388 -2.791 371 HA GLN 34 HA GLN 34 -1.021 19.881 -0.168 372 HB2 GLN 34 HB3 GLN 34 -3.624 20.733 -1.461 373 HB3 GLN 34 HB2 GLN 34 -2.989 21.366 0.050 374 HG2 GLN 34 HG3 GLN 34 -1.800 21.674 -2.694 375 HG3 GLN 34 HG2 GLN 34 -2.540 22.928 -1.701 376 HE21 GLN 34 HE21 GLN 34 0.264 20.996 -2.251 377 HE22 GLN 34 HE22 GLN 34 1.317 21.821 -1.156 378 H VAL 35 H VAL 35 -3.584 17.894 -1.494 379 HA VAL 35 HA VAL 35 -4.707 17.303 1.096 380 HB VAL 35 HB VAL 35 -5.268 16.147 -1.644 381 HG11 VAL 35 HG11 VAL 35 -6.924 15.917 0.856 382 HG12 VAL 35 HG12 VAL 35 -5.902 14.638 0.200 383 HG13 VAL 35 HG13 VAL 35 -7.284 15.224 -0.729 384 HG21 VAL 35 HG21 VAL 35 -6.743 18.250 -0.065 385 HG22 VAL 35 HG22 VAL 35 -7.262 17.569 -1.608 386 HG23 VAL 35 HG23 VAL 35 -5.779 18.520 -1.518 387 H ILE 36 H ILE 36 -3.451 15.246 -1.506 388 HA ILE 36 HA ILE 36 -3.236 12.822 -0.339 389 HB ILE 36 HB ILE 36 -1.199 13.999 -2.211 390 HG12 ILE 36 HG13 ILE 36 -3.796 12.549 -2.784 391 HG13 ILE 36 HG12 ILE 36 -3.589 14.290 -2.911 392 HG21 ILE 36 HG21 ILE 36 -0.898 11.701 -2.907 393 HG22 ILE 36 HG22 ILE 36 -2.123 11.175 -1.747 394 HG23 ILE 36 HG23 ILE 36 -0.595 11.847 -1.174 395 HD11 ILE 36 HD11 ILE 36 -3.487 13.216 -5.078 396 HD12 ILE 36 HD12 ILE 36 -2.135 12.221 -4.530 397 HD13 ILE 36 HD13 ILE 36 -1.944 13.969 -4.673 398 H LYS 37 H LYS 37 -0.729 15.384 -0.033 399 HA LYS 37 HA LYS 37 1.074 13.630 1.343 400 HB2 LYS 37 HB3 LYS 37 1.089 16.630 1.042 401 HB3 LYS 37 HB2 LYS 37 2.371 15.712 1.818 402 HG2 LYS 37 HG3 LYS 37 2.670 14.474 -0.327 403 HG3 LYS 37 HG2 LYS 37 1.530 15.602 -1.063 404 HD2 LYS 37 HD3 LYS 37 4.177 16.280 0.217 405 HD3 LYS 37 HD2 LYS 37 3.788 16.343 -1.502 406 HE2 LYS 37 HE3 LYS 37 2.084 18.075 -1.001 407 HE3 LYS 37 HE2 LYS 37 2.611 18.057 0.681 408 HZ1 LYS 37 HZ1 LYS 37 4.311 18.749 -1.653 409 HZ2 LYS 37 HZ2 LYS 37 4.807 18.748 -0.034 410 HZ3 LYS 37 HZ3 LYS 37 3.641 19.857 -0.557 411 H LEU 38 H LEU 38 -1.483 15.739 2.328 412 HA LEU 38 HA LEU 38 -0.486 15.899 5.063 413 HB2 LEU 38 HB3 LEU 38 -2.728 17.223 3.581 414 HB3 LEU 38 HB2 LEU 38 -2.724 17.211 5.331 415 HG LEU 38 HG LEU 38 -1.827 19.306 4.454 416 HD11 LEU 38 HD11 LEU 38 0.265 17.597 5.782 417 HD12 LEU 38 HD12 LEU 38 -1.008 18.510 6.592 418 HD13 LEU 38 HD13 LEU 38 0.263 19.358 5.712 419 HD21 LEU 38 HD21 LEU 38 -0.925 18.495 2.343 420 HD22 LEU 38 HD22 LEU 38 0.326 17.602 3.209 421 HD23 LEU 38 HD23 LEU 38 0.305 19.365 3.263 422 H ALA 39 H ALA 39 -2.418 13.913 3.204 423 HA ALA 39 HA ALA 39 -4.271 13.103 5.232 424 HB1 ALA 39 HB1 ALA 39 -3.539 11.775 2.625 425 HB2 ALA 39 HB2 ALA 39 -4.836 12.949 2.853 426 HB3 ALA 39 HB3 ALA 39 -4.924 11.374 3.642 427 H GLY 40 H GLY 40 -3.607 12.019 6.958 428 HA2 GLY 40 HA3 GLY 40 -1.232 10.455 7.075 429 HA3 GLY 40 HA2 GLY 40 -2.522 10.471 8.276 430 H VAL 41 H VAL 41 -0.962 8.230 6.985 431 HA VAL 41 HA VAL 41 -3.253 6.768 5.857 432 HB VAL 41 HB VAL 41 -0.389 6.472 4.956 433 HG11 VAL 41 HG11 VAL 41 -2.945 5.259 3.910 434 HG12 VAL 41 HG12 VAL 41 -1.647 4.411 4.753 435 HG13 VAL 41 HG13 VAL 41 -1.357 5.101 3.156 436 HG21 VAL 41 HG21 VAL 41 -1.152 7.495 2.846 437 HG22 VAL 41 HG22 VAL 41 -1.232 8.604 4.213 438 HG23 VAL 41 HG23 VAL 41 -2.702 7.848 3.603 439 H THR 42 H THR 42 -3.770 5.036 6.962 440 HA THR 42 HA THR 42 -1.706 3.710 8.596 441 HB THR 42 HB THR 42 -4.710 3.521 8.911 442 HG1 THR 42 HG1 THR 42 -3.227 5.560 9.503 443 HG21 THR 42 HG21 THR 42 -4.141 2.542 11.108 444 HG22 THR 42 HG22 THR 42 -2.433 2.599 10.671 445 HG23 THR 42 HG23 THR 42 -3.543 1.569 9.765 446 H LYS 43 H LYS 43 -0.945 1.919 7.684 447 HA LYS 43 HA LYS 43 -2.500 0.502 5.675 448 HB2 LYS 43 HB3 LYS 43 0.312 0.085 6.712 449 HB3 LYS 43 HB2 LYS 43 -0.423 -0.868 5.434 450 HG2 LYS 43 HG3 LYS 43 -0.054 2.113 5.280 451 HG3 LYS 43 HG2 LYS 43 1.119 0.946 4.668 452 HD2 LYS 43 HD3 LYS 43 -0.589 0.026 3.167 453 HD3 LYS 43 HD2 LYS 43 -1.756 1.199 3.779 454 HE2 LYS 43 HE3 LYS 43 -0.398 3.028 2.942 455 HE3 LYS 43 HE2 LYS 43 0.831 1.891 2.395 456 HZ1 LYS 43 HZ1 LYS 43 -0.637 1.037 0.751 457 HZ2 LYS 43 HZ2 LYS 43 -0.710 2.734 0.628 458 HZ3 LYS 43 HZ3 LYS 43 -1.960 1.877 1.390 459 H LYS 44 H LYS 44 -3.514 -1.403 5.995 460 HA LYS 44 HA LYS 44 -3.030 -2.808 8.542 461 HB2 LYS 44 HB3 LYS 44 -5.630 -2.386 7.069 462 HB3 LYS 44 HB2 LYS 44 -5.435 -3.552 8.366 463 HG2 LYS 44 HG3 LYS 44 -4.959 -1.794 9.938 464 HG3 LYS 44 HG2 LYS 44 -4.990 -0.588 8.649 465 HD2 LYS 44 HD3 LYS 44 -7.332 -1.002 8.258 466 HD3 LYS 44 HD2 LYS 44 -7.327 -2.335 9.413 467 HE2 LYS 44 HE3 LYS 44 -6.699 0.522 10.124 468 HE3 LYS 44 HE2 LYS 44 -8.300 -0.197 10.272 469 HZ1 LYS 44 HZ1 LYS 44 -7.050 -0.210 12.362 470 HZ2 LYS 44 HZ2 LYS 44 -5.869 -1.191 11.656 471 HZ3 LYS 44 HZ3 LYS 44 -7.442 -1.774 11.851 472 H PHE 45 H PHE 45 -2.044 -4.659 8.129 473 HA PHE 45 HA PHE 45 -2.960 -6.242 5.815 474 HB2 PHE 45 HB3 PHE 45 -0.219 -5.988 7.036 475 HB3 PHE 45 HB2 PHE 45 -0.662 -7.332 5.994 476 HD1 PHE 45 HD1 PHE 45 -0.153 -3.691 6.131 477 HD2 PHE 45 HD2 PHE 45 -0.800 -7.089 3.654 478 HE1 PHE 45 HE1 PHE 45 0.434 -2.356 4.151 479 HE2 PHE 45 HE2 PHE 45 -0.216 -5.759 1.672 480 HZ PHE 45 HZ PHE 45 0.400 -3.391 1.918 481 H ARG 46 H ARG 46 -3.488 -8.373 6.180 482 HA ARG 46 HA ARG 46 -2.948 -9.771 8.601 483 HB2 ARG 46 HB3 ARG 46 -5.270 -9.745 9.489 484 HB3 ARG 46 HB2 ARG 46 -4.510 -8.159 9.548 485 HG2 ARG 46 HG3 ARG 46 -5.664 -7.622 7.400 486 HG3 ARG 46 HG2 ARG 46 -6.543 -9.140 7.568 487 HD2 ARG 46 HD3 ARG 46 -7.570 -8.389 9.598 488 HD3 ARG 46 HD2 ARG 46 -6.564 -6.937 9.620 489 HE ARG 46 HE ARG 46 -8.252 -7.319 7.283 490 HH11 ARG 46 HH11 ARG 46 -7.881 -5.759 10.398 491 HH12 ARG 46 HH12 ARG 46 -8.958 -4.459 10.003 492 HH21 ARG 46 HH21 ARG 46 -9.622 -5.644 6.756 493 HH22 ARG 46 HH22 ARG 46 -9.942 -4.367 7.907 494 H ASN 47 H ASN 47 -4.302 -11.751 8.751 495 HA ASN 47 HA ASN 47 -4.814 -13.065 6.283 496 HB2 ASN 47 HB3 ASN 47 -5.758 -13.661 9.093 497 HB3 ASN 47 HB2 ASN 47 -6.089 -14.718 7.723 498 HD21 ASN 47 HD21 ASN 47 -4.369 -15.838 6.759 499 HD22 ASN 47 HD22 ASN 47 -2.863 -16.062 7.581 500 H ALA 48 H ALA 48 -7.113 -13.838 5.599 501 HA ALA 48 HA ALA 48 -8.588 -11.584 4.963 502 HB1 ALA 48 HB1 ALA 48 -9.598 -14.414 5.079 503 HB2 ALA 48 HB2 ALA 48 -8.708 -13.699 3.731 504 HB3 ALA 48 HB3 ALA 48 -10.307 -13.083 4.166 505 H ALA 49 H ALA 49 -10.187 -10.494 5.811 506 HA ALA 49 HA ALA 49 -10.354 -10.530 8.633 507 HB1 ALA 49 HB1 ALA 49 -11.991 -8.912 6.703 508 HB2 ALA 49 HB2 ALA 49 -10.357 -8.498 7.221 509 HB3 ALA 49 HB3 ALA 49 -11.672 -8.548 8.399 510 H SER 50 H SER 50 -12.693 -11.340 6.057 511 HA SER 50 HA SER 50 -14.749 -11.946 7.955 512 HB2 SER 50 HB3 SER 50 -15.144 -11.058 5.640 513 HB3 SER 50 HB2 SER 50 -14.608 -12.608 5.005 514 HG SER 50 HG SER 50 -16.711 -12.430 6.889 515 H GLY 51 H GLY 51 -12.043 -13.454 7.782 516 HA2 GLY 51 HA3 GLY 51 -11.424 -15.554 8.483 517 HA3 GLY 51 HA2 GLY 51 -13.125 -15.952 8.628 518 H LYS 52 H LYS 52 -12.038 -14.783 5.586 519 HA LYS 52 HA LYS 52 -12.650 -17.187 4.235 520 HB2 LYS 52 HB3 LYS 52 -12.799 -14.815 3.359 521 HB3 LYS 52 HB2 LYS 52 -11.048 -14.828 3.242 522 HG2 LYS 52 HG3 LYS 52 -11.813 -15.300 1.103 523 HG3 LYS 52 HG2 LYS 52 -11.301 -16.850 1.766 524 HD2 LYS 52 HD3 LYS 52 -13.417 -17.079 0.575 525 HD3 LYS 52 HD2 LYS 52 -13.633 -17.390 2.299 526 HE2 LYS 52 HE3 LYS 52 -14.549 -15.181 2.625 527 HE3 LYS 52 HE2 LYS 52 -14.212 -14.755 0.949 528 HZ1 LYS 52 HZ1 LYS 52 -16.085 -16.884 1.824 529 HZ2 LYS 52 HZ2 LYS 52 -15.801 -16.398 0.228 530 HZ3 LYS 52 HZ3 LYS 52 -16.539 -15.338 1.319 531 HA PRO 53 HA PRO 53 -8.633 -19.011 5.041 532 HB2 PRO 53 HB3 PRO 53 -8.997 -21.321 3.706 533 HB3 PRO 53 HB2 PRO 53 -9.781 -21.003 5.259 534 HG2 PRO 53 HG3 PRO 53 -10.891 -20.731 2.494 535 HG3 PRO 53 HG2 PRO 53 -11.629 -21.484 3.919 536 HD2 PRO 53 HD3 PRO 53 -12.252 -18.974 3.117 537 HD3 PRO 53 HD2 PRO 53 -12.239 -19.447 4.830 538 H ASP 54 H ASP 54 -6.746 -18.933 4.009 539 HA ASP 54 HA ASP 54 -5.170 -19.186 2.363 540 HB2 ASP 54 HB3 ASP 54 -6.377 -20.600 0.896 541 HB3 ASP 54 HB2 ASP 54 -7.564 -19.353 0.534 542 H ARG 55 H ARG 55 -7.819 -17.123 1.285 543 HA ARG 55 HA ARG 55 -6.184 -15.000 0.464 544 HB2 ARG 55 HB3 ARG 55 -9.100 -15.157 1.139 545 HB3 ARG 55 HB2 ARG 55 -8.346 -13.647 0.641 546 HG2 ARG 55 HG3 ARG 55 -7.625 -14.692 -1.444 547 HG3 ARG 55 HG2 ARG 55 -8.386 -16.203 -0.948 548 HD2 ARG 55 HD3 ARG 55 -10.559 -15.185 -0.993 549 HD3 ARG 55 HD2 ARG 55 -9.852 -13.596 -1.285 550 HE ARG 55 HE ARG 55 -9.053 -14.537 -3.451 551 HH11 ARG 55 HH11 ARG 55 -11.879 -15.864 -1.850 552 HH12 ARG 55 HH12 ARG 55 -12.570 -16.490 -3.311 553 HH21 ARG 55 HH21 ARG 55 -9.948 -15.361 -5.363 554 HH22 ARG 55 HH22 ARG 55 -11.480 -16.189 -5.317 555 H TYR 56 H TYR 56 -5.974 -12.901 1.274 556 HA TYR 56 HA TYR 56 -5.972 -12.729 4.219 557 HB2 TYR 56 HB3 TYR 56 -4.030 -11.358 2.340 558 HB3 TYR 56 HB2 TYR 56 -3.931 -11.448 4.095 559 HD1 TYR 56 HD1 TYR 56 -3.393 -13.282 0.953 560 HD2 TYR 56 HD2 TYR 56 -3.152 -13.460 5.196 561 HE1 TYR 56 HE1 TYR 56 -1.990 -15.288 0.785 562 HE2 TYR 56 HE2 TYR 56 -1.749 -15.466 5.034 563 HH TYR 56 HH TYR 56 -0.313 -16.475 2.146 564 H ASP 57 H ASP 57 -5.722 -10.193 4.774 565 HA ASP 57 HA ASP 57 -7.601 -8.718 3.047 566 HB2 ASP 57 HB3 ASP 57 -8.755 -9.793 5.037 567 HB3 ASP 57 HB2 ASP 57 -7.802 -8.733 6.060 568 H MET 58 H MET 58 -7.347 -6.468 3.063 569 HA MET 58 HA MET 58 -5.164 -5.341 4.630 570 HB2 MET 58 HB3 MET 58 -4.127 -6.340 2.599 571 HB3 MET 58 HB2 MET 58 -5.149 -5.323 1.603 572 HG2 MET 58 HG3 MET 58 -3.273 -4.148 3.611 573 HG3 MET 58 HG2 MET 58 -2.725 -4.613 2.000 574 HE1 MET 58 HE1 MET 58 -2.594 -1.693 3.369 575 HE2 MET 58 HE2 MET 58 -2.947 -0.703 1.954 576 HE3 MET 58 HE3 MET 58 -1.879 -2.105 1.806 577 H GLU 59 H GLU 59 -5.384 -3.140 4.957 578 HA GLU 59 HA GLU 59 -7.485 -1.763 3.448 579 HB2 GLU 59 HB3 GLU 59 -7.316 -1.776 6.459 580 HB3 GLU 59 HB2 GLU 59 -8.318 -0.676 5.534 581 HG2 GLU 59 HG3 GLU 59 -9.420 -2.759 4.576 582 HG3 GLU 59 HG2 GLU 59 -8.604 -3.637 5.868 583 H ASN 60 H ASN 60 -7.449 0.498 3.503 584 HA ASN 60 HA ASN 60 -4.986 1.739 4.541 585 HB2 ASN 60 HB3 ASN 60 -6.302 2.429 1.901 586 HB3 ASN 60 HB2 ASN 60 -4.876 3.196 2.584 587 HD21 ASN 60 HD21 ASN 60 -6.123 0.487 0.870 588 HD22 ASN 60 HD22 ASN 60 -4.599 -0.253 0.518 589 H LEU 61 H LEU 61 -5.720 2.965 6.164 590 HA LEU 61 HA LEU 61 -8.191 4.501 5.749 591 HB2 LEU 61 HB3 LEU 61 -6.656 3.869 8.267 592 HB3 LEU 61 HB2 LEU 61 -8.037 4.945 8.211 593 HG LEU 61 HG LEU 61 -8.056 1.996 7.569 594 HD11 LEU 61 HD11 LEU 61 -7.844 2.479 9.948 595 HD12 LEU 61 HD12 LEU 61 -9.438 1.823 9.574 596 HD13 LEU 61 HD13 LEU 61 -9.242 3.553 9.862 597 HD21 LEU 61 HD21 LEU 61 -9.645 3.136 6.158 598 HD22 LEU 61 HD22 LEU 61 -10.272 4.042 7.532 599 HD23 LEU 61 HD23 LEU 61 -10.512 2.298 7.443 600 H THR 62 H THR 62 -8.127 6.638 5.449 601 HA THR 62 HA THR 62 -5.684 8.076 6.152 602 HB THR 62 HB THR 62 -5.689 9.308 4.051 603 HG1 THR 62 HG1 THR 62 -7.195 8.069 2.411 604 HG21 THR 62 HG21 THR 62 -4.976 7.573 2.530 605 HG22 THR 62 HG22 THR 62 -5.835 6.353 3.467 606 HG23 THR 62 HG23 THR 62 -4.436 7.171 4.158 607 H THR 63 H THR 63 -6.416 10.578 5.302 608 HA THR 63 HA THR 63 -8.545 11.160 7.184 609 HB THR 63 HB THR 63 -7.805 13.477 6.983 610 HG1 THR 63 HG1 THR 63 -6.670 14.112 5.291 611 HG21 THR 63 HG21 THR 63 -5.581 11.451 7.231 612 HG22 THR 63 HG22 THR 63 -6.572 12.113 8.533 613 HG23 THR 63 HG23 THR 63 -5.422 13.149 7.686 614 H LYS 64 H LYS 64 -8.095 10.898 3.800 615 HA LYS 64 HA LYS 64 -10.532 12.468 3.284 616 HB2 LYS 64 HB3 LYS 64 -8.168 11.899 1.490 617 HB3 LYS 64 HB2 LYS 64 -9.613 12.751 0.973 618 HG2 LYS 64 HG3 LYS 64 -7.761 13.651 3.168 619 HG3 LYS 64 HG2 LYS 64 -7.746 14.251 1.513 620 HD2 LYS 64 HD3 LYS 64 -10.093 14.451 3.400 621 HD3 LYS 64 HD2 LYS 64 -8.939 15.746 3.088 622 HE2 LYS 64 HE3 LYS 64 -9.565 15.639 0.680 623 HE3 LYS 64 HE2 LYS 64 -10.813 14.466 1.102 624 HZ1 LYS 64 HZ1 LYS 64 -11.659 16.749 0.920 625 HZ2 LYS 64 HZ2 LYS 64 -10.650 17.221 2.191 626 HZ3 LYS 64 HZ3 LYS 64 -11.888 16.106 2.468 627 H LYS 65 H LYS 65 -9.088 9.378 3.125 628 HA LYS 65 HA LYS 65 -11.315 8.387 1.494 629 HB2 LYS 65 HB3 LYS 65 -8.378 7.822 1.147 630 HB3 LYS 65 HB2 LYS 65 -9.601 6.735 0.519 631 HG2 LYS 65 HG3 LYS 65 -9.265 9.627 -0.221 632 HG3 LYS 65 HG2 LYS 65 -8.792 8.238 -1.198 633 HD2 LYS 65 HD3 LYS 65 -11.608 8.916 -0.344 634 HD3 LYS 65 HD2 LYS 65 -10.923 9.179 -1.940 635 HE2 LYS 65 HE3 LYS 65 -10.618 6.789 -2.239 636 HE3 LYS 65 HE2 LYS 65 -11.229 6.493 -0.612 637 HZ1 LYS 65 HZ1 LYS 65 -13.358 7.423 -1.284 638 HZ2 LYS 65 HZ2 LYS 65 -12.944 6.102 -2.261 639 HZ3 LYS 65 HZ3 LYS 65 -12.777 7.687 -2.853 640 H ASP 66 H ASP 66 -10.095 5.763 1.544 641 HA ASP 66 HA ASP 66 -9.784 4.391 3.743 642 HB2 ASP 66 HB3 ASP 66 -11.825 3.903 4.878 643 HB3 ASP 66 HB2 ASP 66 -11.706 5.650 4.800 644 H THR 67 H THR 67 -9.491 2.440 2.983 645 HA THR 67 HA THR 67 -11.210 1.469 0.817 646 HB THR 67 HB THR 67 -9.260 0.742 -0.490 647 HG1 THR 67 HG1 THR 67 -7.882 1.896 1.690 648 HG21 THR 67 HG21 THR 67 -8.472 2.939 -1.268 649 HG22 THR 67 HG22 THR 67 -9.142 3.688 0.183 650 HG23 THR 67 HG23 THR 67 -10.217 2.943 -0.998 651 H HIS 68 H HIS 68 -11.335 -0.812 0.701 652 HA HIS 68 HA HIS 68 -9.952 -2.249 2.840 653 HB2 HIS 68 HB3 HIS 68 -12.269 -1.651 3.585 654 HB3 HIS 68 HB2 HIS 68 -12.902 -2.564 2.221 655 HD1 HIS 68 HD1 HIS 68 -13.540 -3.264 5.215 656 HD2 HIS 68 HD2 HIS 68 -10.609 -5.089 2.901 657 HE1 HIS 68 HE1 HIS 68 -13.176 -5.534 6.241 658 HE2 HIS 68 HE2 HIS 68 -11.338 -6.592 4.865 659 H HIS 69 H HIS 69 -8.593 -3.233 1.399 660 HA HIS 69 HA HIS 69 -9.530 -4.650 -0.916 661 HB2 HIS 69 HB3 HIS 69 -6.903 -4.856 0.583 662 HB3 HIS 69 HB2 HIS 69 -7.236 -5.594 -0.976 663 HD1 HIS 69 HD1 HIS 69 -8.768 -2.807 -1.909 664 HD2 HIS 69 HD2 HIS 69 -4.855 -3.336 -0.596 665 HE1 HIS 69 HE1 HIS 69 -7.456 -0.918 -2.908 666 HE2 HIS 69 HE2 HIS 69 -5.046 -1.401 -2.303 667 H LYS 70 H LYS 70 -11.192 -5.952 -0.051 668 HA LYS 70 HA LYS 70 -10.608 -7.729 2.136 669 HB2 LYS 70 HB3 LYS 70 -13.007 -8.435 1.707 670 HB3 LYS 70 HB2 LYS 70 -12.745 -6.764 2.184 671 HG2 LYS 70 HG3 LYS 70 -12.890 -6.100 -0.188 672 HG3 LYS 70 HG2 LYS 70 -13.260 -7.775 -0.608 673 HD2 LYS 70 HD3 LYS 70 -15.335 -6.660 -0.462 674 HD3 LYS 70 HD2 LYS 70 -15.168 -7.604 1.014 675 HE2 LYS 70 HE3 LYS 70 -14.358 -5.586 2.179 676 HE3 LYS 70 HE2 LYS 70 -14.648 -4.658 0.711 677 HZ1 LYS 70 HZ1 LYS 70 -16.990 -5.244 0.858 678 HZ2 LYS 70 HZ2 LYS 70 -16.479 -4.426 2.243 679 HZ3 LYS 70 HZ3 LYS 70 -16.707 -6.102 2.289 680 H ASP 71 H ASP 71 -9.680 -9.589 1.893 681 HA ASP 71 HA ASP 71 -9.389 -11.761 1.335 682 HB2 ASP 71 HB3 ASP 71 -11.788 -11.412 -0.471 683 HB3 ASP 71 HB2 ASP 71 -11.080 -12.941 0.028 684 H TRP 72 H TRP 72 -7.414 -10.953 0.331 685 HA TRP 72 HA TRP 72 -7.465 -11.511 -2.563 686 HB2 TRP 72 HB3 TRP 72 -5.287 -10.179 -2.611 687 HB3 TRP 72 HB2 TRP 72 -6.771 -9.263 -2.393 688 HD1 TRP 72 HD1 TRP 72 -7.149 -8.062 -0.069 689 HE1 TRP 72 HE1 TRP 72 -5.560 -7.454 1.852 690 HE3 TRP 72 HE3 TRP 72 -3.146 -11.027 -1.302 691 HZ2 TRP 72 HZ2 TRP 72 -2.965 -8.137 2.715 692 HZ3 TRP 72 HZ3 TRP 72 -1.167 -10.944 0.177 693 HH2 TRP 72 HH2 TRP 72 -1.088 -9.538 2.120 694 H ALA 73 H ALA 73 -6.110 -13.036 -3.346 695 HA ALA 73 HA ALA 73 -4.270 -14.320 -1.440 696 HB1 ALA 73 HB1 ALA 73 -4.264 -16.209 -3.039 697 HB2 ALA 73 HB2 ALA 73 -5.421 -15.333 -4.044 698 HB3 ALA 73 HB3 ALA 73 -5.878 -15.852 -2.422 699 H LEU 74 H LEU 74 -2.078 -14.654 -2.096 700 HA LEU 74 HA LEU 74 -0.863 -12.775 -3.689 701 HB2 LEU 74 HB3 LEU 74 -0.010 -15.530 -2.905 702 HB3 LEU 74 HB2 LEU 74 0.991 -14.532 -3.942 703 HG LEU 74 HG LEU 74 0.589 -12.790 -1.963 704 HD11 LEU 74 HD11 LEU 74 0.772 -13.993 0.182 705 HD12 LEU 74 HD12 LEU 74 0.423 -15.498 -0.664 706 HD13 LEU 74 HD13 LEU 74 -0.785 -14.214 -0.612 707 HD21 LEU 74 HD21 LEU 74 2.710 -13.491 -2.891 708 HD22 LEU 74 HD22 LEU 74 2.630 -15.001 -1.976 709 HD23 LEU 74 HD23 LEU 74 2.773 -13.461 -1.127 710 H GLY 75 H GLY 75 -0.336 -12.543 -5.734 711 HA2 GLY 75 HA3 GLY 75 -0.321 -12.866 -8.008 712 HA3 GLY 75 HA2 GLY 75 -0.584 -14.578 -7.719 713 H GLU 76 H GLU 76 -2.863 -12.506 -6.230 714 HA GLU 76 HA GLU 76 -4.813 -13.298 -8.274 715 HB2 GLU 76 HB3 GLU 76 -5.243 -14.271 -6.086 716 HB3 GLU 76 HB2 GLU 76 -5.253 -12.672 -5.356 717 HG2 GLU 76 HG3 GLU 76 -7.271 -12.091 -6.419 718 HG3 GLU 76 HG2 GLU 76 -7.187 -13.479 -7.504 719 H GLU 77 H GLU 77 -5.698 -11.852 -9.467 720 HA GLU 77 HA GLU 77 -5.597 -9.013 -8.751 721 HB2 GLU 77 HB3 GLU 77 -4.854 -9.710 -11.001 722 HB3 GLU 77 HB2 GLU 77 -6.436 -10.401 -11.315 723 HG2 GLU 77 HG3 GLU 77 -7.428 -8.162 -11.116 724 HG3 GLU 77 HG2 GLU 77 -5.816 -7.490 -10.866 725 H PHE 78 H PHE 78 -7.307 -8.082 -7.866 726 HA PHE 78 HA PHE 78 -9.988 -9.169 -8.397 727 HB2 PHE 78 HB3 PHE 78 -10.590 -8.822 -6.035 728 HB3 PHE 78 HB2 PHE 78 -9.272 -9.977 -6.189 729 HD1 PHE 78 HD1 PHE 78 -6.934 -9.230 -5.682 730 HD2 PHE 78 HD2 PHE 78 -10.345 -6.851 -4.789 731 HE1 PHE 78 HE1 PHE 78 -5.593 -7.909 -4.101 732 HE2 PHE 78 HE2 PHE 78 -9.010 -5.526 -3.211 733 HZ PHE 78 HZ PHE 78 -6.621 -6.047 -2.876 734 H GLN 79 H GLN 79 -11.699 -7.570 -8.051 735 HA GLN 79 HA GLN 79 -10.765 -4.892 -8.704 736 HB2 GLN 79 HB3 GLN 79 -12.654 -6.052 -9.947 737 HB3 GLN 79 HB2 GLN 79 -13.625 -5.834 -8.498 738 HG2 GLN 79 HG3 GLN 79 -13.445 -3.444 -8.674 739 HG3 GLN 79 HG2 GLN 79 -12.330 -3.593 -10.031 740 HE21 GLN 79 HE21 GLN 79 -13.115 -4.256 -12.031 741 HE22 GLN 79 HE22 GLN 79 -14.796 -4.170 -12.426 742 H ASP 80 H ASP 80 -11.152 -3.096 -7.440 743 HA ASP 80 HA ASP 80 -12.580 -3.168 -4.978 744 HB2 ASP 80 HB3 ASP 80 -10.389 -4.567 -4.592 745 HB3 ASP 80 HB2 ASP 80 -9.613 -2.994 -4.559 746 H GLU 81 H GLU 81 -12.118 -1.129 -3.680 747 HA GLU 81 HA GLU 81 -11.533 1.038 -5.570 748 HB2 GLU 81 HB3 GLU 81 -13.740 1.121 -4.406 749 HB3 GLU 81 HB2 GLU 81 -12.888 1.215 -2.869 750 HG2 GLU 81 HG3 GLU 81 -11.794 3.305 -3.695 751 HG3 GLU 81 HG2 GLU 81 -12.858 3.236 -5.099 752 H ALA 82 H ALA 82 -9.667 1.887 -5.494 753 HA ALA 82 HA ALA 82 -7.975 1.503 -3.155 754 HB1 ALA 82 HB1 ALA 82 -7.214 0.900 -5.429 755 HB2 ALA 82 HB2 ALA 82 -6.137 2.016 -4.582 756 HB3 ALA 82 HB3 ALA 82 -7.225 2.613 -5.840 757 H LEU 83 H LEU 83 -6.270 3.484 -3.004 758 HA LEU 83 HA LEU 83 -7.618 5.482 -1.645 759 HB2 LEU 83 HB3 LEU 83 -4.849 5.435 -2.820 760 HB3 LEU 83 HB2 LEU 83 -5.441 6.790 -1.884 761 HG LEU 83 HG LEU 83 -4.134 5.456 -0.426 762 HD11 LEU 83 HD11 LEU 83 -7.012 4.779 0.138 763 HD12 LEU 83 HD12 LEU 83 -6.250 6.328 0.490 764 HD13 LEU 83 HD13 LEU 83 -5.693 4.866 1.304 765 HD21 LEU 83 HD21 LEU 83 -5.788 3.080 -1.267 766 HD22 LEU 83 HD22 LEU 83 -4.514 3.081 -0.048 767 HD23 LEU 83 HD23 LEU 83 -4.118 3.396 -1.738 768 H ASP 84 H ASP 84 -6.969 5.223 -5.019 769 HA ASP 84 HA ASP 84 -7.174 8.040 -5.540 770 HB2 ASP 84 HB3 ASP 84 -7.058 7.403 -7.928 771 HB3 ASP 84 HB2 ASP 84 -5.729 6.783 -6.967 772 H SER 85 H SER 85 -9.436 6.226 -4.449 773 HA SER 85 HA SER 85 -11.643 6.611 -4.186 774 HB2 SER 85 HB3 SER 85 -10.683 9.031 -4.421 775 HB3 SER 85 HB2 SER 85 -11.519 9.012 -5.972 776 HG SER 85 HG SER 85 -13.409 9.010 -4.989 777 H THR 86 H THR 86 -10.620 5.111 -6.513 778 HA THR 86 HA THR 86 -13.221 4.884 -7.817 779 HB THR 86 HB THR 86 -11.943 4.289 -9.967 780 HG1 THR 86 HG1 THR 86 -9.945 5.887 -8.702 781 HG21 THR 86 HG21 THR 86 -11.851 6.641 -10.695 782 HG22 THR 86 HG22 THR 86 -12.007 7.150 -9.012 783 HG23 THR 86 HG23 THR 86 -13.323 6.273 -9.798 784 H GLN 87 H GLN 87 -13.426 2.693 -8.897 785 HA GLN 87 HA GLN 87 -11.793 0.780 -7.396 786 HB2 GLN 87 HB3 GLN 87 -13.702 -0.837 -7.824 787 HB3 GLN 87 HB2 GLN 87 -13.951 0.398 -6.594 788 HG2 GLN 87 HG3 GLN 87 -15.218 1.722 -8.257 789 HG3 GLN 87 HG2 GLN 87 -15.036 0.388 -9.399 790 HE21 GLN 87 HE21 GLN 87 -15.451 -0.077 -5.977 791 HE22 GLN 87 HE22 GLN 87 -17.029 -0.761 -6.058 792 H HIS 88 H HIS 88 -10.677 -0.638 -8.445 793 HA HIS 88 HA HIS 88 -11.095 -1.090 -11.262 794 HB2 HIS 88 HB3 HIS 88 -8.612 -0.327 -11.631 795 HB3 HIS 88 HB2 HIS 88 -9.918 0.853 -11.665 796 HD1 HIS 88 HD1 HIS 88 -7.572 -0.574 -9.020 797 HD2 HIS 88 HD2 HIS 88 -9.386 2.996 -10.132 798 HE1 HIS 88 HE1 HIS 88 -6.776 1.141 -7.365 799 HE2 HIS 88 HE2 HIS 88 -7.780 3.324 -8.131 800 H LYS 89 H LYS 89 -8.912 -2.359 -12.049 801 HA LYS 89 HA LYS 89 -9.004 -4.697 -10.418 802 HB2 LYS 89 HB3 LYS 89 -7.492 -5.704 -12.042 803 HB3 LYS 89 HB2 LYS 89 -8.817 -4.888 -12.852 804 HG2 LYS 89 HG3 LYS 89 -7.428 -3.106 -13.536 805 HG3 LYS 89 HG2 LYS 89 -6.123 -3.622 -12.469 806 HD2 LYS 89 HD3 LYS 89 -5.491 -4.269 -14.657 807 HD3 LYS 89 HD2 LYS 89 -5.995 -5.740 -13.831 808 HE2 LYS 89 HE3 LYS 89 -7.817 -4.157 -15.631 809 HE3 LYS 89 HE2 LYS 89 -6.785 -5.456 -16.218 810 HZ1 LYS 89 HZ1 LYS 89 -7.927 -6.891 -14.490 811 HZ2 LYS 89 HZ2 LYS 89 -8.859 -6.426 -15.831 812 HZ3 LYS 89 HZ3 LYS 89 -9.069 -5.645 -14.350 813 H ILE 90 H ILE 90 -7.571 -5.496 -9.041 814 HA ILE 90 HA ILE 90 -5.080 -4.016 -8.571 815 HB ILE 90 HB ILE 90 -7.110 -4.834 -6.494 816 HG12 ILE 90 HG13 ILE 90 -5.946 -2.159 -7.294 817 HG13 ILE 90 HG12 ILE 90 -7.595 -2.706 -7.568 818 HG21 ILE 90 HG21 ILE 90 -4.320 -3.777 -6.071 819 HG22 ILE 90 HG22 ILE 90 -4.873 -5.422 -5.742 820 HG23 ILE 90 HG23 ILE 90 -5.521 -4.068 -4.811 821 HD11 ILE 90 HD11 ILE 90 -6.293 -2.039 -4.950 822 HD12 ILE 90 HD12 ILE 90 -7.858 -2.831 -5.090 823 HD13 ILE 90 HD13 ILE 90 -7.634 -1.210 -5.743 824 H THR 91 H THR 91 -3.392 -5.323 -8.479 825 HA THR 91 HA THR 91 -3.876 -8.176 -7.950 826 HB THR 91 HB THR 91 -1.538 -6.988 -9.443 827 HG1 THR 91 HG1 THR 91 -4.112 -7.598 -10.253 828 HG21 THR 91 HG21 THR 91 -1.145 -9.207 -8.463 829 HG22 THR 91 HG22 THR 91 -1.196 -9.279 -10.225 830 HG23 THR 91 HG23 THR 91 -2.585 -9.816 -9.281 831 H PHE 92 H PHE 92 -3.016 -9.004 -6.186 832 HA PHE 92 HA PHE 92 -0.809 -7.561 -4.872 833 HB2 PHE 92 HB3 PHE 92 -2.988 -9.298 -3.814 834 HB3 PHE 92 HB2 PHE 92 -1.418 -9.398 -3.021 835 HD1 PHE 92 HD1 PHE 92 -3.966 -6.919 -4.123 836 HD2 PHE 92 HD2 PHE 92 -0.881 -7.880 -1.357 837 HE1 PHE 92 HE1 PHE 92 -4.504 -4.897 -2.828 838 HE2 PHE 92 HE2 PHE 92 -1.412 -5.858 -0.060 839 HZ PHE 92 HZ PHE 92 -3.191 -4.365 -0.786 840 H ASP 93 H ASP 93 1.161 -8.430 -4.947 841 HA ASP 93 HA ASP 93 1.584 -11.220 -5.492 842 HB2 ASP 93 HB3 ASP 93 0.970 -10.414 -7.737 843 HB3 ASP 93 HB2 ASP 93 2.194 -9.154 -7.629 844 H LEU 94 H LEU 94 3.891 -11.710 -5.480 845 HA LEU 94 HA LEU 94 5.324 -9.686 -3.911 846 HB2 LEU 94 HB3 LEU 94 5.115 -12.549 -3.711 847 HB3 LEU 94 HB2 LEU 94 6.793 -12.036 -3.792 848 HG LEU 94 HG LEU 94 6.341 -10.433 -1.940 849 HD11 LEU 94 HD11 LEU 94 3.691 -11.859 -1.831 850 HD12 LEU 94 HD12 LEU 94 3.957 -10.160 -2.216 851 HD13 LEU 94 HD13 LEU 94 4.313 -10.766 -0.597 852 HD21 LEU 94 HD21 LEU 94 7.375 -12.546 -1.484 853 HD22 LEU 94 HD22 LEU 94 5.803 -13.338 -1.399 854 HD23 LEU 94 HD23 LEU 94 6.254 -12.142 -0.184 855 H LYS 95 H LYS 95 7.199 -8.863 -4.518 856 HA LYS 95 HA LYS 95 8.057 -9.409 -7.265 857 HB2 LYS 95 HB3 LYS 95 7.556 -7.068 -6.504 858 HB3 LYS 95 HB2 LYS 95 8.901 -7.195 -5.383 859 HG2 LYS 95 HG3 LYS 95 10.400 -7.575 -7.330 860 HG3 LYS 95 HG2 LYS 95 9.025 -7.249 -8.389 861 HD2 LYS 95 HD3 LYS 95 8.774 -5.039 -7.282 862 HD3 LYS 95 HD2 LYS 95 10.246 -5.369 -6.370 863 HE2 LYS 95 HE3 LYS 95 10.801 -3.987 -8.250 864 HE3 LYS 95 HE2 LYS 95 11.459 -5.597 -8.524 865 HZ1 LYS 95 HZ1 LYS 95 10.380 -4.648 -10.496 866 HZ2 LYS 95 HZ2 LYS 95 8.908 -4.606 -9.669 867 HZ3 LYS 95 HZ3 LYS 95 9.650 -6.089 -9.998 868 H ASP 96 H ASP 96 9.474 -8.811 -4.076 869 HA ASP 96 HA ASP 96 11.533 -10.834 -4.649 870 HB2 ASP 96 HB3 ASP 96 11.725 -8.333 -2.947 871 HB3 ASP 96 HB2 ASP 96 12.962 -9.577 -3.017 872 HA PRO 97 HA PRO 97 10.133 -12.940 -1.001 873 HB2 PRO 97 HB3 PRO 97 12.851 -13.190 0.081 874 HB3 PRO 97 HB2 PRO 97 11.773 -14.445 -0.533 875 HG2 PRO 97 HG3 PRO 97 13.972 -13.708 -1.881 876 HG3 PRO 97 HG2 PRO 97 12.476 -14.164 -2.721 877 HD2 PRO 97 HD3 PRO 97 13.539 -11.421 -2.114 878 HD3 PRO 97 HD2 PRO 97 12.860 -12.045 -3.633 879 H ASN 98 H ASN 98 11.065 -9.928 -0.849 880 HA ASN 98 HA ASN 98 10.322 -9.652 1.944 881 HB2 ASN 98 HB3 ASN 98 12.132 -7.977 2.348 882 HB3 ASN 98 HB2 ASN 98 12.734 -9.614 2.120 883 HD21 ASN 98 HD21 ASN 98 14.771 -8.854 1.557 884 HD22 ASN 98 HD22 ASN 98 15.087 -8.136 0.015 885 H THR 99 H THR 99 9.413 -9.064 -0.955 886 HA THR 99 HA THR 99 8.551 -6.320 -0.431 887 HB THR 99 HB THR 99 9.785 -7.159 -3.061 888 HG1 THR 99 HG1 THR 99 11.286 -6.750 -1.279 889 HG21 THR 99 HG21 THR 99 8.727 -4.483 -2.141 890 HG22 THR 99 HG22 THR 99 7.965 -5.540 -3.329 891 HG23 THR 99 HG23 THR 99 9.529 -4.802 -3.678 892 H LEU 100 H LEU 100 6.429 -6.532 -0.355 893 HA LEU 100 HA LEU 100 4.909 -8.180 -2.207 894 HB2 LEU 100 HB3 LEU 100 4.451 -7.126 0.314 895 HB3 LEU 100 HB2 LEU 100 3.515 -6.063 -0.710 896 HG LEU 100 HG LEU 100 3.174 -9.054 -0.510 897 HD11 LEU 100 HD11 LEU 100 1.052 -8.478 0.576 898 HD12 LEU 100 HD12 LEU 100 1.495 -6.772 0.517 899 HD13 LEU 100 HD13 LEU 100 2.444 -7.895 1.490 900 HD21 LEU 100 HD21 LEU 100 2.604 -8.262 -2.736 901 HD22 LEU 100 HD22 LEU 100 1.588 -6.996 -2.044 902 HD23 LEU 100 HD23 LEU 100 1.146 -8.693 -1.843 903 H THR 101 H THR 101 3.455 -7.202 -3.866 904 HA THR 101 HA THR 101 3.874 -4.333 -4.281 905 HB THR 101 HB THR 101 3.718 -4.816 -6.787 906 HG1 THR 101 HG1 THR 101 3.741 -7.362 -5.786 907 HG21 THR 101 HG21 THR 101 5.765 -4.102 -5.565 908 HG22 THR 101 HG22 THR 101 6.089 -5.071 -7.000 909 HG23 THR 101 HG23 THR 101 6.205 -5.800 -5.398 910 H GLU 102 H GLU 102 2.111 -3.195 -4.699 911 HA GLU 102 HA GLU 102 -0.406 -4.651 -5.209 912 HB2 GLU 102 HB3 GLU 102 -0.363 -3.516 -3.012 913 HB3 GLU 102 HB2 GLU 102 -0.018 -1.987 -3.809 914 HG2 GLU 102 HG3 GLU 102 -2.181 -2.128 -4.968 915 HG3 GLU 102 HG2 GLU 102 -2.527 -3.628 -4.112 916 H THR 103 H THR 103 -0.809 -4.490 -7.338 917 HA THR 103 HA THR 103 -0.180 -1.964 -8.705 918 HB THR 103 HB THR 103 -0.757 -4.686 -9.902 919 HG1 THR 103 HG1 THR 103 1.722 -3.304 -9.576 920 HG21 THR 103 HG21 THR 103 0.286 -2.150 -11.169 921 HG22 THR 103 HG22 THR 103 -1.321 -2.838 -11.403 922 HG23 THR 103 HG23 THR 103 0.104 -3.704 -11.980 923 H HIS 104 H HIS 104 -1.874 -0.650 -9.090 924 HA HIS 104 HA HIS 104 -4.484 -1.946 -9.452 925 HB2 HIS 104 HB3 HIS 104 -5.570 0.008 -8.431 926 HB3 HIS 104 HB2 HIS 104 -4.514 -0.836 -7.317 927 HD1 HIS 104 HD1 HIS 104 -4.837 2.407 -9.192 928 HD2 HIS 104 HD2 HIS 104 -2.449 0.689 -6.257 929 HE1 HIS 104 HE1 HIS 104 -3.588 4.311 -8.144 930 HE2 HIS 104 HE2 HIS 104 -2.294 3.278 -6.250 931 H ILE 105 H ILE 105 -5.299 -1.741 -11.365 932 HA ILE 105 HA ILE 105 -4.517 0.568 -13.037 933 HB ILE 105 HB ILE 105 -5.116 -2.257 -13.933 934 HG12 ILE 105 HG13 ILE 105 -2.523 -0.702 -13.844 935 HG13 ILE 105 HG12 ILE 105 -2.939 -2.095 -12.850 936 HG21 ILE 105 HG21 ILE 105 -5.863 -0.622 -15.571 937 HG22 ILE 105 HG22 ILE 105 -4.444 -1.485 -16.162 938 HG23 ILE 105 HG23 ILE 105 -4.282 0.157 -15.538 939 HD11 ILE 105 HD11 ILE 105 -1.430 -2.692 -14.664 940 HD12 ILE 105 HD12 ILE 105 -2.611 -2.109 -15.839 941 HD13 ILE 105 HD13 ILE 105 -2.989 -3.502 -14.827 942 H LYS 106 H LYS 106 -6.097 1.736 -13.892 943 HA LYS 106 HA LYS 106 -8.745 1.602 -13.072 944 HB2 LYS 106 HB3 LYS 106 -7.511 2.904 -15.496 945 HB3 LYS 106 HB2 LYS 106 -9.177 3.158 -15.012 946 HG2 LYS 106 HG3 LYS 106 -6.849 3.762 -13.209 947 HG3 LYS 106 HG2 LYS 106 -7.535 4.935 -14.337 948 HD2 LYS 106 HD3 LYS 106 -9.773 4.356 -13.215 949 HD3 LYS 106 HD2 LYS 106 -8.781 3.699 -11.916 950 HE2 LYS 106 HE3 LYS 106 -8.615 6.517 -12.980 951 HE3 LYS 106 HE2 LYS 106 -9.472 6.042 -11.519 952 HZ1 LYS 106 HZ1 LYS 106 -6.558 5.609 -11.918 953 HZ2 LYS 106 HZ2 LYS 106 -7.443 5.448 -10.474 954 HZ3 LYS 106 HZ3 LYS 106 -7.215 6.972 -11.163 955 H VAL 107 H VAL 107 -10.241 0.157 -13.489 956 HA VAL 107 HA VAL 107 -10.425 -1.596 -15.646 957 HB VAL 107 HB VAL 107 -12.561 -0.486 -13.818 958 HG11 VAL 107 HG11 VAL 107 -12.645 -2.872 -15.634 959 HG12 VAL 107 HG12 VAL 107 -13.542 -1.369 -15.835 960 HG13 VAL 107 HG13 VAL 107 -13.884 -2.422 -14.463 961 HG21 VAL 107 HG21 VAL 107 -12.202 -2.330 -12.434 962 HG22 VAL 107 HG22 VAL 107 -10.578 -1.785 -12.876 963 HG23 VAL 107 HG23 VAL 107 -11.285 -3.191 -13.672 964 H ASP 108 H ASP 108 -11.704 1.607 -15.080 965 HA ASP 108 HA ASP 108 -13.496 1.767 -17.244 966 HB2 ASP 108 HB3 ASP 108 -11.985 4.027 -15.916 967 HB3 ASP 108 HB2 ASP 108 -13.445 4.182 -16.886 968 H ASP 109 H ASP 109 -10.079 2.397 -16.945 969 HA ASP 109 HA ASP 109 -9.571 2.263 -19.709 970 HB2 ASP 109 HB3 ASP 109 -10.566 4.499 -19.761 971 HB3 ASP 109 HB2 ASP 109 -9.495 5.029 -18.469 972 HA PRO 110 HA PRO 110 -6.244 1.010 -17.016 973 HB2 PRO 110 HB3 PRO 110 -5.024 -0.608 -18.774 974 HB3 PRO 110 HB2 PRO 110 -6.558 -1.036 -18.007 975 HG2 PRO 110 HG3 PRO 110 -6.084 0.184 -20.711 976 HG3 PRO 110 HG2 PRO 110 -7.088 -1.215 -20.275 977 HD2 PRO 110 HD3 PRO 110 -8.156 1.207 -20.635 978 HD3 PRO 110 HD2 PRO 110 -8.768 0.099 -19.389 979 H THR 111 H THR 111 -6.028 3.482 -18.890 980 HA THR 111 HA THR 111 -3.250 3.441 -19.606 981 HB THR 111 HB THR 111 -3.536 5.836 -20.094 982 HG1 THR 111 HG1 THR 111 -6.289 5.772 -19.616 983 HG21 THR 111 HG21 THR 111 -4.128 4.310 -21.844 984 HG22 THR 111 HG22 THR 111 -5.350 5.581 -21.811 985 HG23 THR 111 HG23 THR 111 -5.704 3.998 -21.113 986 H ASP 112 H ASP 112 -5.191 4.387 -16.849 987 HA ASP 112 HA ASP 112 -2.863 5.480 -15.489 988 HB2 ASP 112 HB3 ASP 112 -5.034 6.598 -15.193 989 HB3 ASP 112 HB2 ASP 112 -5.704 5.113 -14.535 990 H VAL 113 H VAL 113 -1.485 4.071 -14.690 991 HA VAL 113 HA VAL 113 -2.485 1.746 -13.251 992 HB VAL 113 HB VAL 113 -1.727 0.640 -15.134 993 HG11 VAL 113 HG11 VAL 113 -1.041 2.638 -16.352 994 HG12 VAL 113 HG12 VAL 113 0.166 1.361 -16.513 995 HG13 VAL 113 HG13 VAL 113 0.450 2.711 -15.413 996 HG21 VAL 113 HG21 VAL 113 0.534 -0.222 -14.704 997 HG22 VAL 113 HG22 VAL 113 -0.451 -0.171 -13.240 998 HG23 VAL 113 HG23 VAL 113 0.771 1.068 -13.526 999 H GLU 114 H GLU 114 -1.656 1.670 -11.231 1000 HA GLU 114 HA GLU 114 0.907 2.984 -10.742 1001 HB2 GLU 114 HB3 GLU 114 -0.702 4.675 -10.228 1002 HB3 GLU 114 HB2 GLU 114 -1.654 3.553 -9.264 1003 HG2 GLU 114 HG3 GLU 114 0.032 3.473 -7.572 1004 HG3 GLU 114 HG2 GLU 114 1.150 4.398 -8.577 1005 H THR 115 H THR 115 2.123 2.110 -9.122 1006 HA THR 115 HA THR 115 1.046 -0.290 -7.824 1007 HB THR 115 HB THR 115 3.714 -0.145 -9.251 1008 HG1 THR 115 HG1 THR 115 2.274 -0.414 -10.856 1009 HG21 THR 115 HG21 THR 115 3.760 -1.620 -7.302 1010 HG22 THR 115 HG22 THR 115 3.834 -2.554 -8.797 1011 HG23 THR 115 HG23 THR 115 2.324 -2.457 -7.890 1012 H TYR 116 H TYR 116 1.580 -0.454 -5.763 1013 HA TYR 116 HA TYR 116 3.803 1.194 -4.724 1014 HB2 TYR 116 HB3 TYR 116 1.848 -0.240 -2.949 1015 HB3 TYR 116 HB2 TYR 116 2.826 1.176 -2.599 1016 HD1 TYR 116 HD1 TYR 116 2.109 2.985 -4.824 1017 HD2 TYR 116 HD2 TYR 116 -0.306 0.372 -2.493 1018 HE1 TYR 116 HE1 TYR 116 0.152 4.410 -5.255 1019 HE2 TYR 116 HE2 TYR 116 -2.267 1.784 -2.922 1020 HH TYR 116 HH TYR 116 -2.640 4.265 -3.516 1021 H GLU 117 H GLU 117 5.242 0.001 -3.074 1022 HA GLU 117 HA GLU 117 5.199 -2.869 -3.556 1023 HB2 GLU 117 HB3 GLU 117 7.686 -1.137 -3.484 1024 HB3 GLU 117 HB2 GLU 117 7.613 -2.863 -3.805 1025 HG2 GLU 117 HG3 GLU 117 6.461 -2.443 -5.903 1026 HG3 GLU 117 HG2 GLU 117 6.458 -0.715 -5.571 1027 H TYR 118 H TYR 118 4.840 -3.704 -1.590 1028 HA TYR 118 HA TYR 118 5.525 -2.172 0.783 1029 HB2 TYR 118 HB3 TYR 118 3.989 -4.752 0.442 1030 HB3 TYR 118 HB2 TYR 118 4.259 -3.963 1.984 1031 HD1 TYR 118 HD1 TYR 118 3.278 -1.626 2.324 1032 HD2 TYR 118 HD2 TYR 118 2.210 -4.105 -0.959 1033 HE1 TYR 118 HE1 TYR 118 1.271 -0.295 1.986 1034 HE2 TYR 118 HE2 TYR 118 0.179 -2.769 -1.295 1035 HH TYR 118 HH TYR 118 -0.384 0.135 0.654 1036 H ARG 119 H ARG 119 7.765 -2.343 0.723 1037 HA ARG 119 HA ARG 119 8.951 -5.005 0.919 1038 HB2 ARG 119 HB3 ARG 119 9.983 -3.361 -0.592 1039 HB3 ARG 119 HB2 ARG 119 10.226 -2.266 0.761 1040 HG2 ARG 119 HG3 ARG 119 11.840 -3.684 1.741 1041 HG3 ARG 119 HG2 ARG 119 11.442 -5.010 0.643 1042 HD2 ARG 119 HD3 ARG 119 12.201 -3.554 -1.243 1043 HD3 ARG 119 HD2 ARG 119 12.764 -2.395 -0.042 1044 HE ARG 119 HE ARG 119 14.301 -4.128 0.748 1045 HH11 ARG 119 HH11 ARG 119 12.853 -4.589 -2.402 1046 HH12 ARG 119 HH12 ARG 119 14.166 -5.545 -3.006 1047 HH21 ARG 119 HH21 ARG 119 16.030 -5.402 -0.039 1048 HH22 ARG 119 HH22 ARG 119 15.963 -6.021 -1.661 1049 H ARG 120 H ARG 120 10.336 -5.557 2.699 1050 HA ARG 120 HA ARG 120 9.603 -4.105 5.147 1051 HB2 ARG 120 HB3 ARG 120 10.174 -6.993 4.607 1052 HB3 ARG 120 HB2 ARG 120 10.374 -6.336 6.224 1053 HG2 ARG 120 HG3 ARG 120 7.830 -6.131 4.635 1054 HG3 ARG 120 HG2 ARG 120 8.169 -7.404 5.810 1055 HD2 ARG 120 HD3 ARG 120 8.117 -4.445 6.399 1056 HD3 ARG 120 HD2 ARG 120 6.830 -5.588 6.778 1057 HE ARG 120 HE ARG 120 9.361 -6.351 7.889 1058 HH11 ARG 120 HH11 ARG 120 6.542 -4.341 8.388 1059 HH12 ARG 120 HH12 ARG 120 6.706 -4.319 10.114 1060 HH21 ARG 120 HH21 ARG 120 9.574 -6.324 10.159 1061 HH22 ARG 120 HH22 ARG 120 8.418 -5.457 11.119 1062 H ASP 121 H ASP 121 11.107 -2.947 6.084 1063 HA ASP 121 HA ASP 121 13.901 -3.848 5.877 1064 HB2 ASP 121 HB3 ASP 121 13.547 -1.757 4.598 1065 HB3 ASP 121 HB2 ASP 121 12.946 -0.983 6.063 1066 H GLY 122 H GLY 122 14.192 -4.850 7.760 1067 HA2 GLY 122 HA3 GLY 122 14.482 -5.094 10.027 1068 HA3 GLY 122 HA2 GLY 122 14.239 -3.360 10.185 1069 H ASP 123 H ASP 123 12.484 -2.732 11.221 1070 HA ASP 123 HA ASP 123 10.215 -4.600 11.354 1071 HB2 ASP 123 HB3 ASP 123 11.325 -4.095 13.522 1072 HB3 ASP 123 HB2 ASP 123 10.932 -2.395 13.298 1073 H TYR 124 H TYR 124 11.161 -2.073 9.629 1074 HA TYR 124 HA TYR 124 8.653 -0.561 9.820 1075 HB2 TYR 124 HB3 TYR 124 11.317 0.064 8.545 1076 HB3 TYR 124 HB2 TYR 124 9.876 1.027 8.242 1077 HD1 TYR 124 HD1 TYR 124 12.326 0.019 10.804 1078 HD2 TYR 124 HD2 TYR 124 9.051 2.565 9.867 1079 HE1 TYR 124 HE1 TYR 124 12.789 1.348 12.815 1080 HE2 TYR 124 HE2 TYR 124 9.500 3.901 11.885 1081 HH TYR 124 HH TYR 124 12.374 3.662 13.630 1082 H LEU 125 H LEU 125 7.212 -0.457 8.156 1083 HA LEU 125 HA LEU 125 7.619 -2.221 5.891 1084 HB2 LEU 125 HB3 LEU 125 5.407 -1.602 7.308 1085 HB3 LEU 125 HB2 LEU 125 5.297 -0.362 6.083 1086 HG LEU 125 HG LEU 125 5.106 -3.340 5.745 1087 HD11 LEU 125 HD11 LEU 125 3.012 -2.767 4.638 1088 HD12 LEU 125 HD12 LEU 125 3.341 -1.053 4.893 1089 HD13 LEU 125 HD13 LEU 125 3.069 -2.113 6.276 1090 HD21 LEU 125 HD21 LEU 125 5.425 -1.341 3.516 1091 HD22 LEU 125 HD22 LEU 125 5.117 -3.070 3.352 1092 HD23 LEU 125 HD23 LEU 125 6.646 -2.509 4.020 1093 H VAL 126 H VAL 126 8.403 -1.480 3.991 1094 HA VAL 126 HA VAL 126 8.648 1.437 3.701 1095 HB VAL 126 HB VAL 126 10.490 -0.686 2.584 1096 HG11 VAL 126 HG11 VAL 126 10.266 1.220 1.081 1097 HG12 VAL 126 HG12 VAL 126 11.861 1.209 1.836 1098 HG13 VAL 126 HG13 VAL 126 10.621 2.327 2.408 1099 HG21 VAL 126 HG21 VAL 126 10.769 -0.379 4.988 1100 HG22 VAL 126 HG22 VAL 126 10.941 1.360 4.755 1101 HG23 VAL 126 HG23 VAL 126 12.156 0.260 4.108 1102 H MET 127 H MET 127 7.279 2.163 2.292 1103 HA MET 127 HA MET 127 6.334 0.467 0.117 1104 HB2 MET 127 HB3 MET 127 4.550 1.618 1.118 1105 HB3 MET 127 HB2 MET 127 5.472 3.110 1.248 1106 HG2 MET 127 HG3 MET 127 5.285 3.526 -1.084 1107 HG3 MET 127 HG2 MET 127 4.616 1.922 -1.376 1108 HE1 MET 127 HE1 MET 127 1.050 2.087 -0.113 1109 HE2 MET 127 HE2 MET 127 2.387 1.572 0.916 1110 HE3 MET 127 HE3 MET 127 2.372 1.134 -0.790 1111 H LYS 128 H LYS 128 6.773 0.834 -2.012 1112 HA LYS 128 HA LYS 128 8.255 3.260 -2.683 1113 HB2 LYS 128 HB3 LYS 128 9.957 1.554 -2.541 1114 HB3 LYS 128 HB2 LYS 128 9.002 0.457 -3.526 1115 HG2 LYS 128 HG3 LYS 128 9.336 1.759 -5.472 1116 HG3 LYS 128 HG2 LYS 128 9.994 3.106 -4.540 1117 HD2 LYS 128 HD3 LYS 128 11.301 0.403 -4.576 1118 HD3 LYS 128 HD2 LYS 128 11.651 1.626 -5.799 1119 HE2 LYS 128 HE3 LYS 128 12.373 3.175 -4.085 1120 HE3 LYS 128 HE2 LYS 128 11.947 2.016 -2.826 1121 HZ1 LYS 128 HZ1 LYS 128 13.622 0.510 -3.698 1122 HZ2 LYS 128 HZ2 LYS 128 14.314 1.994 -3.272 1123 HZ3 LYS 128 HZ3 LYS 128 14.034 1.629 -4.898 1124 H MET 129 H MET 129 7.638 4.191 -4.513 1125 HA MET 129 HA MET 129 5.970 2.768 -6.419 1126 HB2 MET 129 HB3 MET 129 4.319 4.761 -6.298 1127 HB3 MET 129 HB2 MET 129 4.211 3.528 -5.050 1128 HG2 MET 129 HG3 MET 129 5.934 5.193 -3.869 1129 HG3 MET 129 HG2 MET 129 5.058 6.343 -4.872 1130 HE1 MET 129 HE1 MET 129 2.101 5.520 -4.953 1131 HE2 MET 129 HE2 MET 129 2.656 7.124 -4.476 1132 HE3 MET 129 HE3 MET 129 1.474 6.272 -3.484 1133 H SER 130 H SER 130 6.221 3.569 -8.482 1134 HA SER 130 HA SER 130 7.975 5.908 -8.744 1135 HB2 SER 130 HB3 SER 130 9.142 4.543 -10.594 1136 HB3 SER 130 HB2 SER 130 9.511 4.142 -8.917 1137 HG SER 130 HG SER 130 8.458 2.579 -10.829 1138 H TRP 131 H TRP 131 7.539 7.257 -10.361 1139 HA TRP 131 HA TRP 131 6.078 6.351 -12.709 1140 HB2 TRP 131 HB3 TRP 131 4.402 7.145 -10.922 1141 HB3 TRP 131 HB2 TRP 131 5.056 8.758 -11.210 1142 HD1 TRP 131 HD1 TRP 131 3.975 10.083 -13.124 1143 HE1 TRP 131 HE1 TRP 131 2.369 9.539 -15.058 1144 HE3 TRP 131 HE3 TRP 131 3.770 5.012 -12.595 1145 HZ2 TRP 131 HZ2 TRP 131 1.177 7.257 -16.213 1146 HZ3 TRP 131 HZ3 TRP 131 2.372 3.722 -14.150 1147 HH2 TRP 131 HH2 TRP 131 1.106 4.820 -15.924 1148 H LYS 132 H LYS 132 6.757 7.338 -14.482 1149 HA LYS 132 HA LYS 132 8.115 8.523 -15.833 1150 HB2 LYS 132 HB3 LYS 132 7.400 10.800 -13.979 1151 HB3 LYS 132 HB2 LYS 132 8.035 10.959 -15.610 1152 HG2 LYS 132 HG3 LYS 132 5.374 9.780 -14.841 1153 HG3 LYS 132 HG2 LYS 132 5.648 11.358 -15.575 1154 HD2 LYS 132 HD3 LYS 132 6.569 10.261 -17.569 1155 HD3 LYS 132 HD2 LYS 132 6.276 8.685 -16.830 1156 HE2 LYS 132 HE3 LYS 132 3.869 9.211 -16.726 1157 HE3 LYS 132 HE2 LYS 132 4.188 10.742 -17.537 1158 HZ1 LYS 132 HZ1 LYS 132 3.437 9.128 -19.121 1159 HZ2 LYS 132 HZ2 LYS 132 4.631 8.030 -18.654 1160 HZ3 LYS 132 HZ3 LYS 132 5.065 9.467 -19.429 1161 H GLY 133 H GLY 133 9.462 7.137 -13.807 1162 HA2 GLY 133 HA3 GLY 133 11.730 6.935 -13.319 1163 HA3 GLY 133 HA2 GLY 133 11.961 8.600 -13.822 1164 H VAL 134 H VAL 134 9.517 9.037 -11.838 1165 HA VAL 134 HA VAL 134 11.274 9.787 -9.659 1166 HB VAL 134 HB VAL 134 8.283 10.109 -9.632 1167 HG11 VAL 134 HG11 VAL 134 8.788 12.004 -8.180 1168 HG12 VAL 134 HG12 VAL 134 10.515 11.707 -8.378 1169 HG13 VAL 134 HG13 VAL 134 9.506 10.519 -7.554 1170 HG21 VAL 134 HG21 VAL 134 8.971 11.041 -11.736 1171 HG22 VAL 134 HG22 VAL 134 10.292 11.921 -10.963 1172 HG23 VAL 134 HG23 VAL 134 8.618 12.356 -10.614 1173 H SER 135 H SER 135 11.856 8.131 -8.398 1174 HA SER 135 HA SER 135 9.804 6.291 -7.445 1175 HB2 SER 135 HB3 SER 135 12.279 5.549 -6.375 1176 HB3 SER 135 HB2 SER 135 11.437 4.799 -7.722 1177 HG SER 135 HG SER 135 13.375 6.870 -7.826 1178 H THR 136 H THR 136 9.020 6.427 -5.490 1179 HA THR 136 HA THR 136 10.454 8.065 -3.510 1180 HB THR 136 HB THR 136 8.564 9.370 -4.161 1181 HG1 THR 136 HG1 THR 136 8.930 9.160 -1.869 1182 HG21 THR 136 HG21 THR 136 6.277 8.551 -4.134 1183 HG22 THR 136 HG22 THR 136 6.840 6.954 -3.644 1184 HG23 THR 136 HG23 THR 136 7.261 7.587 -5.234 1185 H SER 137 H SER 137 10.735 7.200 -1.538 1186 HA SER 137 HA SER 137 9.453 4.613 -1.003 1187 HB2 SER 137 HB3 SER 137 11.928 5.762 0.310 1188 HB3 SER 137 HB2 SER 137 11.290 4.132 0.502 1189 HG SER 137 HG SER 137 12.152 5.216 -1.976 1190 H ARG 138 H ARG 138 7.720 4.838 0.217 1191 HA ARG 138 HA ARG 138 7.615 6.997 2.193 1192 HB2 ARG 138 HB3 ARG 138 5.732 6.051 0.409 1193 HB3 ARG 138 HB2 ARG 138 5.247 5.297 1.921 1194 HG2 ARG 138 HG3 ARG 138 5.109 7.459 2.998 1195 HG3 ARG 138 HG2 ARG 138 5.694 8.247 1.531 1196 HD2 ARG 138 HD3 ARG 138 3.713 7.345 0.332 1197 HD3 ARG 138 HD2 ARG 138 3.113 6.734 1.873 1198 HE ARG 138 HE ARG 138 3.699 9.575 1.776 1199 HH11 ARG 138 HH11 ARG 138 1.308 7.035 1.596 1200 HH12 ARG 138 HH12 ARG 138 -0.035 8.113 1.783 1201 HH21 ARG 138 HH21 ARG 138 1.928 11.007 2.066 1202 HH22 ARG 138 HH22 ARG 138 0.314 10.375 2.064 1203 H TYR 139 H TYR 139 7.979 6.573 4.266 1204 HA TYR 139 HA TYR 139 8.502 3.790 4.958 1205 HB2 TYR 139 HB3 TYR 139 9.247 6.347 6.388 1206 HB3 TYR 139 HB2 TYR 139 9.734 4.728 6.878 1207 HD1 TYR 139 HD1 TYR 139 10.313 7.461 4.546 1208 HD2 TYR 139 HD2 TYR 139 11.356 3.458 5.531 1209 HE1 TYR 139 HE1 TYR 139 12.293 7.626 3.099 1210 HE2 TYR 139 HE2 TYR 139 13.338 3.611 4.087 1211 HH TYR 139 HH TYR 139 14.105 4.923 2.148 1212 H TYR 140 H TYR 140 6.901 2.715 5.819 1213 HA TYR 140 HA TYR 140 5.034 4.094 7.614 1214 HB2 TYR 140 HB3 TYR 140 4.806 1.505 6.074 1215 HB3 TYR 140 HB2 TYR 140 3.624 2.022 7.270 1216 HD1 TYR 140 HD1 TYR 140 2.123 3.905 6.803 1217 HD2 TYR 140 HD2 TYR 140 4.981 2.589 3.933 1218 HE1 TYR 140 HE1 TYR 140 0.960 5.189 5.051 1219 HE2 TYR 140 HE2 TYR 140 3.825 3.863 2.189 1220 HH TYR 140 HH TYR 140 1.648 6.254 2.744 1221 H LYS 141 H LYS 141 5.225 3.767 9.722 1222 HA LYS 141 HA LYS 141 6.846 1.529 10.661 1223 HB2 LYS 141 HB3 LYS 141 7.620 3.768 11.275 1224 HB3 LYS 141 HB2 LYS 141 6.045 4.151 11.941 1225 HG2 LYS 141 HG3 LYS 141 7.542 1.839 13.052 1226 HG3 LYS 141 HG2 LYS 141 8.050 3.474 13.475 1227 HD2 LYS 141 HD3 LYS 141 5.234 2.461 13.756 1228 HD3 LYS 141 HD2 LYS 141 6.417 2.447 15.047 1229 HE2 LYS 141 HE3 LYS 141 5.609 4.914 13.558 1230 HE3 LYS 141 HE2 LYS 141 4.853 4.400 15.070 1231 HZ1 LYS 141 HZ1 LYS 141 7.211 4.444 15.995 1232 HZ2 LYS 141 HZ2 LYS 141 6.489 5.939 15.677 1233 HZ3 LYS 141 HZ3 LYS 141 7.634 5.313 14.599 1234 H LYS 142 H LYS 142 5.946 0.241 12.403 1235 HA LYS 142 HA LYS 142 3.333 -0.539 12.162 1236 HB2 LYS 142 HB3 LYS 142 5.240 -1.658 13.397 1237 HB3 LYS 142 HB2 LYS 142 4.857 -0.624 14.762 1238 HG2 LYS 142 HG3 LYS 142 2.703 -1.636 15.005 1239 HG3 LYS 142 HG2 LYS 142 2.919 -2.554 13.511 1240 HD2 LYS 142 HD3 LYS 142 4.791 -3.758 14.507 1241 HD3 LYS 142 HD2 LYS 142 4.618 -2.825 15.992 1242 HE2 LYS 142 HE3 LYS 142 2.396 -3.764 16.333 1243 HE3 LYS 142 HE2 LYS 142 2.538 -4.668 14.828 1244 HZ1 LYS 142 HZ1 LYS 142 4.367 -5.907 15.758 1245 HZ2 LYS 142 HZ2 LYS 142 3.027 -6.028 16.781 1246 HZ3 LYS 142 HZ3 LYS 142 4.306 -5.004 17.185 1247 H GLN 143 H GLN 143 1.390 -0.237 13.542 1248 HA GLN 143 HA GLN 143 1.068 2.249 14.846 1249 HB2 GLN 143 HB3 GLN 143 -0.466 -0.332 14.864 1250 HB3 GLN 143 HB2 GLN 143 -0.915 0.975 15.948 1251 HG2 GLN 143 HG3 GLN 143 -0.668 1.338 12.986 1252 HG3 GLN 143 HG2 GLN 143 -2.156 0.800 13.761 1253 HE21 GLN 143 HE21 GLN 143 -1.604 3.199 12.252 1254 HE22 GLN 143 HE22 GLN 143 -2.023 4.523 13.283 1255 H21 OLA1001 H21 OLA1001 -0.727 6.024 -1.849 1256 H22 OLA1001 H22 OLA1001 0.384 6.509 -0.566 1257 H31 OLA1001 H31 OLA1001 -1.717 6.764 0.883 1258 H32 OLA1001 H32 OLA1001 -2.604 6.717 -0.642 1259 H41 OLA1001 H41 OLA1001 -1.404 8.641 -1.457 1260 H42 OLA1001 H42 OLA1001 -0.380 8.651 -0.020 1261 H51 OLA1001 H51 OLA1001 -1.990 10.310 0.382 1262 H52 OLA1001 H52 OLA1001 -2.541 8.914 1.311 1263 H61 OLA1001 H61 OLA1001 -4.005 8.323 -0.641 1264 H62 OLA1001 H62 OLA1001 -3.583 9.886 -1.340 1265 H71 OLA1001 H71 OLA1001 -4.370 10.867 0.901 1266 H72 OLA1001 H72 OLA1001 -5.142 9.299 1.151 1267 H81 OLA1001 H81 OLA1001 -6.819 10.532 0.173 1268 H82 OLA1001 H82 OLA1001 -6.128 9.663 -1.188 1269 H9 OLA1001 H9 OLA1001 -4.848 12.249 -0.933 1270 H10 OLA1001 H10 OLA1001 -6.351 13.160 -2.531 1271 H111 OLA1001 H111 OLA1001 -8.669 12.236 -2.223 1272 H112 OLA1001 H112 OLA1001 -7.980 10.643 -1.977 1273 H121 OLA1001 H121 OLA1001 -7.730 12.201 -4.548 1274 H122 OLA1001 H122 OLA1001 -8.996 11.015 -4.229 1275 H131 OLA1001 H131 OLA1001 -7.332 9.871 -5.466 1276 H132 OLA1001 H132 OLA1001 -7.150 9.338 -3.793 1277 H141 OLA1001 H141 OLA1001 -5.383 11.159 -3.576 1278 H142 OLA1001 H142 OLA1001 -5.432 11.252 -5.336 1279 H151 OLA1001 H151 OLA1001 -4.737 8.977 -5.552 1280 H152 OLA1001 H152 OLA1001 -4.895 8.712 -3.811 1281 H161 OLA1001 H161 OLA1001 -3.144 10.423 -3.435 1282 H162 OLA1001 H162 OLA1001 -2.952 10.558 -5.186 1283 H171 OLA1001 H171 OLA1001 -2.188 8.302 -5.351 1284 H172 OLA1001 H172 OLA1001 -2.566 8.002 -3.654 1285 H181 OLA1001 H181 OLA1001 -0.905 9.874 -3.148 1286 H182 OLA1001 H182 OLA1001 -0.360 9.663 -4.824 1287 H183 OLA1001 H183 OLA1001 -0.257 8.312 -3.682 Start of MODEL 16 1 H1 MET -11 H1 MET -11 6.523 -19.953 -16.140 2 H2 MET -11 H2 MET -11 7.811 -18.888 -16.405 3 H3 MET -11 H3 MET -11 7.391 -19.330 -14.829 4 HA MET -11 HA MET -11 8.021 -21.600 -15.244 5 HB2 MET -11 HB3 MET -11 8.649 -20.510 -17.983 6 HB3 MET -11 HB2 MET -11 9.390 -21.980 -17.378 7 HG2 MET -11 HG3 MET -11 7.534 -22.559 -18.758 8 HG3 MET -11 HG2 MET -11 7.141 -22.951 -17.088 9 HE1 MET -11 HE1 MET -11 3.688 -21.941 -18.648 10 HE2 MET -11 HE2 MET -11 4.584 -23.193 -17.791 11 HE3 MET -11 HE3 MET -11 5.009 -22.785 -19.453 12 H ARG -10 H ARG -10 9.651 -21.736 -13.886 13 HA ARG -10 HA ARG -10 12.143 -20.335 -14.557 14 HB2 ARG -10 HB3 ARG -10 10.765 -20.433 -11.887 15 HB3 ARG -10 HB2 ARG -10 12.501 -20.195 -12.003 16 HG2 ARG -10 HG3 ARG -10 10.455 -18.426 -13.325 17 HG3 ARG -10 HG2 ARG -10 11.197 -18.098 -11.759 18 HD2 ARG -10 HD3 ARG -10 12.384 -16.837 -13.398 19 HD3 ARG -10 HD2 ARG -10 13.425 -18.162 -12.889 20 HE ARG -10 HE ARG -10 11.827 -18.584 -15.291 21 HH11 ARG -10 HH11 ARG -10 14.941 -17.741 -13.920 22 HH12 ARG -10 HH12 ARG -10 15.823 -18.137 -15.360 23 HH21 ARG -10 HH21 ARG -10 12.988 -19.094 -17.187 24 HH22 ARG -10 HH22 ARG -10 14.713 -18.910 -17.218 25 H GLY -9 H GLY -9 10.924 -23.143 -14.719 26 HA2 GLY -9 HA3 GLY -9 12.424 -25.029 -14.980 27 HA3 GLY -9 HA2 GLY -9 13.252 -24.497 -13.522 28 H SER -8 H SER -8 12.949 -26.684 -12.774 29 HA SER -8 HA SER -8 10.557 -26.904 -11.180 30 HB2 SER -8 HB3 SER -8 11.228 -29.033 -13.233 31 HB3 SER -8 HB2 SER -8 10.019 -29.200 -11.962 32 HG SER -8 HG SER -8 9.618 -26.924 -13.353 33 H HIS -7 H HIS -7 10.752 -28.505 -9.521 34 HA HIS -7 HA HIS -7 11.825 -29.658 -7.905 35 HB2 HIS -7 HB3 HIS -7 13.324 -30.594 -10.332 36 HB3 HIS -7 HB2 HIS -7 13.752 -31.168 -8.725 37 HD1 HIS -7 HD1 HIS -7 12.131 -32.481 -11.406 38 HD2 HIS -7 HD2 HIS -7 10.880 -31.872 -7.488 39 HE1 HIS -7 HE1 HIS -7 10.261 -34.121 -11.025 40 HE2 HIS -7 HE2 HIS -7 9.438 -33.646 -8.694 41 H HIS -6 H HIS -6 12.499 -27.135 -7.687 42 HA HIS -6 HA HIS -6 15.398 -26.974 -7.367 43 HB2 HIS -6 HB3 HIS -6 13.161 -25.019 -6.801 44 HB3 HIS -6 HB2 HIS -6 14.829 -24.712 -6.340 45 HD1 HIS -6 HD1 HIS -6 12.491 -24.376 -9.115 46 HD2 HIS -6 HD2 HIS -6 16.615 -24.507 -8.626 47 HE1 HIS -6 HE1 HIS -6 13.451 -23.427 -11.229 48 HE2 HIS -6 HE2 HIS -6 15.935 -23.333 -10.826 49 H HIS -5 H HIS -5 12.498 -26.672 -5.391 50 HA HIS -5 HA HIS -5 13.292 -28.382 -3.341 51 HB2 HIS -5 HB3 HIS -5 13.659 -26.727 -1.505 52 HB3 HIS -5 HB2 HIS -5 14.948 -26.732 -2.695 53 HD1 HIS -5 HD1 HIS -5 15.533 -24.537 -3.724 54 HD2 HIS -5 HD2 HIS -5 11.889 -24.422 -1.733 55 HE1 HIS -5 HE1 HIS -5 14.842 -22.123 -3.719 56 HE2 HIS -5 HE2 HIS -5 12.751 -22.058 -2.322 57 H HIS -4 H HIS -4 11.867 -27.131 -1.185 58 HA HIS -4 HA HIS -4 9.186 -27.384 -2.116 59 HB2 HIS -4 HB3 HIS -4 10.445 -26.669 0.496 60 HB3 HIS -4 HB2 HIS -4 8.732 -26.341 0.256 61 HD1 HIS -4 HD1 HIS -4 11.050 -28.997 1.166 62 HD2 HIS -4 HD2 HIS -4 7.215 -28.741 -0.409 63 HE1 HIS -4 HE1 HIS -4 10.033 -31.273 1.488 64 HE2 HIS -4 HE2 HIS -4 7.646 -31.019 0.729 65 H HIS -3 H HIS -3 9.112 -25.875 -3.802 66 HA HIS -3 HA HIS -3 9.175 -23.044 -3.047 67 HB2 HIS -3 HB3 HIS -3 10.509 -23.635 -5.003 68 HB3 HIS -3 HB2 HIS -3 9.111 -24.382 -5.764 69 HD1 HIS -3 HD1 HIS -3 10.443 -20.981 -4.789 70 HD2 HIS -3 HD2 HIS -3 7.513 -22.669 -7.205 71 HE1 HIS -3 HE1 HIS -3 9.517 -19.083 -6.153 72 HE2 HIS -3 HE2 HIS -3 7.677 -20.108 -7.537 73 H HIS -2 H HIS -2 7.325 -22.191 -2.457 74 HA HIS -2 HA HIS -2 4.798 -23.408 -2.923 75 HB2 HIS -2 HB3 HIS -2 5.548 -20.650 -1.928 76 HB3 HIS -2 HB2 HIS -2 3.893 -21.245 -1.997 77 HD1 HIS -2 HD1 HIS -2 3.082 -22.483 0.003 78 HD2 HIS -2 HD2 HIS -2 7.228 -22.220 -0.109 79 HE1 HIS -2 HE1 HIS -2 3.878 -23.427 2.190 80 HE2 HIS -2 HE2 HIS -2 6.391 -23.427 2.017 81 H GLY -1 H GLY -1 3.509 -23.257 -4.631 82 HA2 GLY -1 HA3 GLY -1 4.181 -21.850 -6.976 83 HA3 GLY -1 HA2 GLY -1 2.601 -22.543 -6.622 84 H SER 0 H SER 0 1.798 -21.166 -4.466 85 HA SER 0 HA SER 0 1.823 -18.353 -5.292 86 HB2 SER 0 HB3 SER 0 -0.028 -19.711 -3.317 87 HB3 SER 0 HB2 SER 0 -0.197 -18.091 -3.993 88 HG SER 0 HG SER 0 -0.508 -19.046 -6.042 89 H LYS 1 H LYS 1 3.130 -17.065 -4.176 90 HA LYS 1 HA LYS 1 4.581 -18.045 -1.916 91 HB2 LYS 1 HB3 LYS 1 4.455 -15.267 -3.081 92 HB3 LYS 1 HB2 LYS 1 5.682 -15.861 -1.970 93 HG2 LYS 1 HG3 LYS 1 6.545 -17.358 -3.616 94 HG3 LYS 1 HG2 LYS 1 5.196 -17.021 -4.703 95 HD2 LYS 1 HD3 LYS 1 5.952 -14.635 -4.755 96 HD3 LYS 1 HD2 LYS 1 7.390 -15.136 -3.864 97 HE2 LYS 1 HE3 LYS 1 8.031 -16.615 -5.663 98 HE3 LYS 1 HE2 LYS 1 6.543 -16.250 -6.534 99 HZ1 LYS 1 HZ1 LYS 1 8.345 -14.980 -7.447 100 HZ2 LYS 1 HZ2 LYS 1 8.741 -14.353 -5.928 101 HZ3 LYS 1 HZ3 LYS 1 7.279 -13.926 -6.661 102 H THR 2 H THR 2 3.224 -18.378 -0.197 103 HA THR 2 HA THR 2 1.018 -16.759 0.480 104 HB THR 2 HB THR 2 2.522 -18.456 2.466 105 HG1 THR 2 HG1 THR 2 0.858 -19.277 0.294 106 HG21 THR 2 HG21 THR 2 0.257 -18.927 3.295 107 HG22 THR 2 HG22 THR 2 -0.419 -17.903 2.029 108 HG23 THR 2 HG23 THR 2 0.590 -17.195 3.291 109 H LEU 3 H LEU 3 0.792 -15.135 2.047 110 HA LEU 3 HA LEU 3 2.851 -13.264 1.972 111 HB2 LEU 3 HB3 LEU 3 0.174 -13.341 2.834 112 HB3 LEU 3 HB2 LEU 3 1.114 -12.738 4.184 113 HG LEU 3 HG LEU 3 0.700 -11.511 1.483 114 HD11 LEU 3 HD11 LEU 3 0.634 -10.450 4.291 115 HD12 LEU 3 HD12 LEU 3 -0.771 -10.894 3.319 116 HD13 LEU 3 HD13 LEU 3 0.249 -9.539 2.835 117 HD21 LEU 3 HD21 LEU 3 2.459 -9.842 2.145 118 HD22 LEU 3 HD22 LEU 3 3.056 -11.411 1.621 119 HD23 LEU 3 HD23 LEU 3 3.008 -11.017 3.342 120 HA PRO 4 HA PRO 4 5.453 -14.666 5.377 121 HB2 PRO 4 HB3 PRO 4 6.667 -12.025 4.841 122 HB3 PRO 4 HB2 PRO 4 7.426 -13.618 4.885 123 HG2 PRO 4 HG3 PRO 4 7.018 -12.295 2.577 124 HG3 PRO 4 HG2 PRO 4 6.936 -14.062 2.683 125 HD2 PRO 4 HD3 PRO 4 4.722 -12.069 2.489 126 HD3 PRO 4 HD2 PRO 4 4.837 -13.711 1.823 127 H ASP 5 H ASP 5 5.021 -14.316 7.456 128 HA ASP 5 HA ASP 5 3.159 -12.491 8.392 129 HB2 ASP 5 HB3 ASP 5 3.919 -13.110 10.652 130 HB3 ASP 5 HB2 ASP 5 3.739 -14.522 9.615 131 H LYS 6 H LYS 6 6.545 -12.064 7.848 132 HA LYS 6 HA LYS 6 7.120 -9.859 9.409 133 HB2 LYS 6 HB3 LYS 6 8.647 -11.249 7.929 134 HB3 LYS 6 HB2 LYS 6 8.090 -10.269 6.584 135 HG2 LYS 6 HG3 LYS 6 8.909 -8.258 7.815 136 HG3 LYS 6 HG2 LYS 6 9.622 -9.352 9.003 137 HD2 LYS 6 HD3 LYS 6 10.260 -9.251 6.056 138 HD3 LYS 6 HD2 LYS 6 11.288 -8.673 7.365 139 HE2 LYS 6 HE3 LYS 6 11.562 -10.906 8.210 140 HE3 LYS 6 HE2 LYS 6 10.395 -11.534 7.047 141 HZ1 LYS 6 HZ1 LYS 6 12.681 -11.946 6.362 142 HZ2 LYS 6 HZ2 LYS 6 12.997 -10.286 6.351 143 HZ3 LYS 6 HZ3 LYS 6 11.887 -10.942 5.260 144 H PHE 7 H PHE 7 5.029 -10.039 6.615 145 HA PHE 7 HA PHE 7 5.095 -7.124 6.313 146 HB2 PHE 7 HB3 PHE 7 3.857 -9.297 4.619 147 HB3 PHE 7 HB2 PHE 7 3.600 -7.584 4.327 148 HD1 PHE 7 HD1 PHE 7 6.273 -6.475 4.773 149 HD2 PHE 7 HD2 PHE 7 5.081 -10.064 2.820 150 HE1 PHE 7 HE1 PHE 7 8.318 -6.409 3.410 151 HE2 PHE 7 HE2 PHE 7 7.127 -10.005 1.458 152 HZ PHE 7 HZ PHE 7 8.722 -8.159 1.721 153 H LEU 8 H LEU 8 3.560 -9.115 8.337 154 HA LEU 8 HA LEU 8 0.862 -8.140 7.793 155 HB2 LEU 8 HB3 LEU 8 1.839 -10.330 9.619 156 HB3 LEU 8 HB2 LEU 8 0.158 -9.865 9.425 157 HG LEU 8 HG LEU 8 1.916 -10.943 7.220 158 HD11 LEU 8 HD11 LEU 8 0.683 -12.978 7.400 159 HD12 LEU 8 HD12 LEU 8 -0.354 -12.299 8.656 160 HD13 LEU 8 HD13 LEU 8 1.353 -12.593 8.987 161 HD21 LEU 8 HD21 LEU 8 -0.231 -11.137 6.004 162 HD22 LEU 8 HD22 LEU 8 0.237 -9.470 6.345 163 HD23 LEU 8 HD23 LEU 8 -1.014 -10.249 7.313 164 H GLY 9 H GLY 9 -0.424 -7.268 9.399 165 HA2 GLY 9 HA3 GLY 9 -0.585 -6.543 11.770 166 HA3 GLY 9 HA2 GLY 9 1.074 -5.986 11.595 167 H THR 10 H THR 10 -0.663 -4.173 12.471 168 HA THR 10 HA THR 10 -1.434 -2.556 10.165 169 HB THR 10 HB THR 10 -1.930 -1.943 13.082 170 HG1 THR 10 HG1 THR 10 -2.915 -3.949 12.515 171 HG21 THR 10 HG21 THR 10 -3.259 -1.007 10.540 172 HG22 THR 10 HG22 THR 10 -2.168 -0.061 11.549 173 HG23 THR 10 HG23 THR 10 -3.740 -0.555 12.175 174 H PHE 11 H PHE 11 -0.182 -0.935 9.510 175 HA PHE 11 HA PHE 11 2.003 -0.036 11.282 176 HB2 PHE 11 HB3 PHE 11 1.997 -0.102 8.255 177 HB3 PHE 11 HB2 PHE 11 3.353 0.309 9.294 178 HD1 PHE 11 HD1 PHE 11 4.456 -1.452 10.633 179 HD2 PHE 11 HD2 PHE 11 1.464 -2.352 7.745 180 HE1 PHE 11 HE1 PHE 11 5.173 -3.805 10.629 181 HE2 PHE 11 HE2 PHE 11 2.178 -4.705 7.735 182 HZ PHE 11 HZ PHE 11 4.062 -5.426 9.121 183 H LYS 12 H LYS 12 2.005 2.135 11.802 184 HA LYS 12 HA LYS 12 0.383 3.893 10.086 185 HB2 LYS 12 HB3 LYS 12 0.650 5.579 11.831 186 HB3 LYS 12 HB2 LYS 12 -0.020 4.090 12.475 187 HG2 LYS 12 HG3 LYS 12 2.175 3.484 13.359 188 HG3 LYS 12 HG2 LYS 12 2.841 4.986 12.715 189 HD2 LYS 12 HD3 LYS 12 0.629 4.779 14.749 190 HD3 LYS 12 HD2 LYS 12 2.314 5.160 15.105 191 HE2 LYS 12 HE3 LYS 12 2.151 7.172 13.718 192 HE3 LYS 12 HE2 LYS 12 0.469 6.789 13.360 193 HZ1 LYS 12 HZ1 LYS 12 -0.039 7.001 15.711 194 HZ2 LYS 12 HZ2 LYS 12 0.633 8.430 15.109 195 HZ3 LYS 12 HZ3 LYS 12 1.573 7.385 16.048 196 H LEU 13 H LEU 13 1.243 5.386 8.753 197 HA LEU 13 HA LEU 13 3.886 5.316 7.919 198 HB2 LEU 13 HB3 LEU 13 1.840 6.330 6.767 199 HB3 LEU 13 HB2 LEU 13 2.137 7.761 7.728 200 HG LEU 13 HG LEU 13 4.263 6.640 5.919 201 HD11 LEU 13 HD11 LEU 13 2.303 6.978 4.531 202 HD12 LEU 13 HD12 LEU 13 3.504 8.229 4.208 203 HD13 LEU 13 HD13 LEU 13 2.089 8.599 5.193 204 HD21 LEU 13 HD21 LEU 13 4.937 8.311 7.578 205 HD22 LEU 13 HD22 LEU 13 3.711 9.417 6.959 206 HD23 LEU 13 HD23 LEU 13 5.065 8.938 5.936 207 H GLU 14 H GLU 14 5.706 5.945 8.833 208 HA GLU 14 HA GLU 14 5.617 7.646 11.191 209 HB2 GLU 14 HB3 GLU 14 6.891 5.517 11.209 210 HB3 GLU 14 HB2 GLU 14 7.931 6.148 9.940 211 HG2 GLU 14 HG3 GLU 14 9.082 6.377 12.002 212 HG3 GLU 14 HG2 GLU 14 8.585 7.987 11.486 213 H ARG 15 H ARG 15 7.414 7.491 8.105 214 HA ARG 15 HA ARG 15 7.429 10.397 8.054 215 HB2 ARG 15 HB3 ARG 15 9.742 10.669 7.773 216 HB3 ARG 15 HB2 ARG 15 9.589 9.559 9.127 217 HG2 ARG 15 HG3 ARG 15 10.091 7.683 7.680 218 HG3 ARG 15 HG2 ARG 15 10.172 8.767 6.283 219 HD2 ARG 15 HD3 ARG 15 12.025 9.970 7.361 220 HD3 ARG 15 HD2 ARG 15 11.960 8.841 8.711 221 HE ARG 15 HE ARG 15 12.895 8.272 5.985 222 HH11 ARG 15 HH11 ARG 15 12.333 7.190 9.274 223 HH12 ARG 15 HH12 ARG 15 13.423 5.846 9.160 224 HH21 ARG 15 HH21 ARG 15 14.345 6.503 5.834 225 HH22 ARG 15 HH22 ARG 15 14.562 5.446 7.197 226 H ASP 16 H ASP 16 8.133 11.223 5.935 227 HA ASP 16 HA ASP 16 7.434 9.353 3.778 228 HB2 ASP 16 HB3 ASP 16 5.430 10.562 4.532 229 HB3 ASP 16 HB2 ASP 16 6.255 12.093 4.276 230 H GLU 17 H GLU 17 8.491 9.754 1.822 231 HA GLU 17 HA GLU 17 10.282 12.060 1.718 232 HB2 GLU 17 HB3 GLU 17 11.193 9.181 1.563 233 HB3 GLU 17 HB2 GLU 17 12.186 10.552 1.084 234 HG2 GLU 17 HG3 GLU 17 12.019 11.438 3.380 235 HG3 GLU 17 HG2 GLU 17 11.095 10.009 3.837 236 H ASN 18 H ASN 18 10.142 12.979 -0.190 237 HA ASN 18 HA ASN 18 10.200 13.331 -2.431 238 HB2 ASN 18 HB3 ASN 18 11.818 11.243 -2.160 239 HB3 ASN 18 HB2 ASN 18 10.542 10.434 -3.061 240 HD21 ASN 18 HD21 ASN 18 10.176 10.994 -5.196 241 HD22 ASN 18 HD22 ASN 18 11.292 11.958 -6.105 242 H PHE 19 H PHE 19 7.773 12.399 -0.966 243 HA PHE 19 HA PHE 19 6.235 10.845 -2.829 244 HB2 PHE 19 HB3 PHE 19 5.852 10.746 -0.383 245 HB3 PHE 19 HB2 PHE 19 5.264 12.404 -0.431 246 HD1 PHE 19 HD1 PHE 19 4.626 9.490 -2.658 247 HD2 PHE 19 HD2 PHE 19 3.011 12.366 0.027 248 HE1 PHE 19 HE1 PHE 19 2.368 8.650 -3.129 249 HE2 PHE 19 HE2 PHE 19 0.747 11.528 -0.436 250 HZ PHE 19 HZ PHE 19 0.423 9.665 -2.020 251 H ASP 20 H ASP 20 6.425 14.272 -1.954 252 HA ASP 20 HA ASP 20 4.283 15.111 -3.569 253 HB2 ASP 20 HB3 ASP 20 5.112 17.341 -3.296 254 HB3 ASP 20 HB2 ASP 20 5.369 16.489 -1.780 255 H GLU 21 H GLU 21 7.757 14.832 -4.228 256 HA GLU 21 HA GLU 21 7.860 15.657 -6.853 257 HB2 GLU 21 HB3 GLU 21 9.286 13.364 -5.521 258 HB3 GLU 21 HB2 GLU 21 9.663 13.924 -7.144 259 HG2 GLU 21 HG3 GLU 21 9.838 15.554 -4.638 260 HG3 GLU 21 HG2 GLU 21 11.188 14.840 -5.506 261 H TYR 22 H TYR 22 6.979 12.463 -5.608 262 HA TYR 22 HA TYR 22 6.414 11.238 -8.052 263 HB2 TYR 22 HB3 TYR 22 6.537 9.852 -6.122 264 HB3 TYR 22 HB2 TYR 22 5.300 10.785 -5.284 265 HD1 TYR 22 HD1 TYR 22 2.995 10.290 -5.562 266 HD2 TYR 22 HD2 TYR 22 5.882 8.418 -8.066 267 HE1 TYR 22 HE1 TYR 22 1.285 8.717 -6.356 268 HE2 TYR 22 HE2 TYR 22 4.176 6.840 -8.863 269 HH TYR 22 HH TYR 22 0.796 7.132 -7.861 270 H LEU 23 H LEU 23 4.380 13.267 -5.976 271 HA LEU 23 HA LEU 23 1.940 12.733 -7.306 272 HB2 LEU 23 HB3 LEU 23 2.791 15.127 -5.677 273 HB3 LEU 23 HB2 LEU 23 1.148 14.823 -6.209 274 HG LEU 23 HG LEU 23 2.749 13.098 -4.321 275 HD11 LEU 23 HD11 LEU 23 0.352 14.867 -3.873 276 HD12 LEU 23 HD12 LEU 23 1.997 15.179 -3.316 277 HD13 LEU 23 HD13 LEU 23 1.092 13.809 -2.672 278 HD21 LEU 23 HD21 LEU 23 1.272 11.760 -5.728 279 HD22 LEU 23 HD22 LEU 23 -0.087 12.802 -5.302 280 HD23 LEU 23 HD23 LEU 23 0.692 11.815 -4.065 281 H LYS 24 H LYS 24 4.399 15.218 -7.728 282 HA LYS 24 HA LYS 24 3.079 16.778 -9.668 283 HB2 LYS 24 HB3 LYS 24 6.052 16.292 -9.386 284 HB3 LYS 24 HB2 LYS 24 5.288 17.657 -10.187 285 HG2 LYS 24 HG3 LYS 24 4.474 18.514 -8.121 286 HG3 LYS 24 HG2 LYS 24 4.960 17.051 -7.262 287 HD2 LYS 24 HD3 LYS 24 7.320 17.565 -7.823 288 HD3 LYS 24 HD2 LYS 24 6.782 19.078 -8.554 289 HE2 LYS 24 HE3 LYS 24 5.914 19.839 -6.430 290 HE3 LYS 24 HE2 LYS 24 6.313 18.295 -5.680 291 HZ1 LYS 24 HZ1 LYS 24 7.967 19.949 -5.152 292 HZ2 LYS 24 HZ2 LYS 24 8.253 20.246 -6.789 293 HZ3 LYS 24 HZ3 LYS 24 8.659 18.742 -6.121 294 H ALA 25 H ALA 25 5.466 14.208 -9.981 295 HA ALA 25 HA ALA 25 5.471 13.969 -12.770 296 HB1 ALA 25 HB1 ALA 25 6.395 11.718 -12.398 297 HB2 ALA 25 HB2 ALA 25 5.994 11.853 -10.687 298 HB3 ALA 25 HB3 ALA 25 7.183 12.941 -11.402 299 H ARG 26 H ARG 26 3.381 12.538 -10.345 300 HA ARG 26 HA ARG 26 2.117 10.699 -12.118 301 HB2 ARG 26 HB3 ARG 26 2.272 10.389 -9.655 302 HB3 ARG 26 HB2 ARG 26 1.141 11.717 -9.447 303 HG2 ARG 26 HG3 ARG 26 -0.028 9.651 -9.229 304 HG3 ARG 26 HG2 ARG 26 -0.540 10.436 -10.721 305 HD2 ARG 26 HD3 ARG 26 1.414 8.956 -11.726 306 HD3 ARG 26 HD2 ARG 26 1.058 7.966 -10.311 307 HE ARG 26 HE ARG 26 -1.234 8.722 -11.905 308 HH11 ARG 26 HH11 ARG 26 1.194 6.293 -11.218 309 HH12 ARG 26 HH12 ARG 26 0.348 5.039 -12.075 310 HH21 ARG 26 HH21 ARG 26 -2.340 7.062 -13.029 311 HH22 ARG 26 HH22 ARG 26 -1.654 5.467 -13.067 312 H GLY 27 H GLY 27 1.824 14.037 -11.798 313 HA2 GLY 27 HA3 GLY 27 0.574 15.262 -13.395 314 HA3 GLY 27 HA2 GLY 27 -0.539 13.911 -13.521 315 H TYR 28 H TYR 28 0.365 15.028 -10.361 316 HA TYR 28 HA TYR 28 -2.297 16.205 -10.058 317 HB2 TYR 28 HB3 TYR 28 -0.202 15.507 -7.985 318 HB3 TYR 28 HB2 TYR 28 -1.785 16.192 -7.626 319 HD1 TYR 28 HD1 TYR 28 0.062 13.193 -8.071 320 HD2 TYR 28 HD2 TYR 28 -3.836 14.844 -8.465 321 HE1 TYR 28 HE1 TYR 28 -0.894 10.933 -7.971 322 HE2 TYR 28 HE2 TYR 28 -4.804 12.588 -8.370 323 HH TYR 28 HH TYR 28 -4.117 10.257 -8.769 324 H GLY 29 H GLY 29 -2.503 18.276 -10.384 325 HA2 GLY 29 HA3 GLY 29 -0.227 19.879 -10.972 326 HA3 GLY 29 HA2 GLY 29 -1.900 20.399 -11.008 327 H TRP 30 H TRP 30 -2.815 20.400 -8.550 328 HA TRP 30 HA TRP 30 -0.845 21.424 -6.709 329 HB2 TRP 30 HB3 TRP 30 -1.158 23.438 -7.976 330 HB3 TRP 30 HB2 TRP 30 -2.912 23.270 -7.911 331 HD1 TRP 30 HD1 TRP 30 0.054 23.934 -5.509 332 HE1 TRP 30 HE1 TRP 30 -0.824 25.319 -3.524 333 HE3 TRP 30 HE3 TRP 30 -4.899 24.047 -6.737 334 HZ2 TRP 30 HZ2 TRP 30 -3.305 26.309 -2.610 335 HZ3 TRP 30 HZ3 TRP 30 -6.457 25.233 -5.255 336 HH2 TRP 30 HH2 TRP 30 -5.672 26.343 -3.235 337 H ILE 31 H ILE 31 -4.375 21.390 -7.316 338 HA ILE 31 HA ILE 31 -5.165 21.685 -4.662 339 HB ILE 31 HB ILE 31 -6.662 20.095 -6.750 340 HG12 ILE 31 HG13 ILE 31 -8.021 22.272 -6.868 341 HG13 ILE 31 HG12 ILE 31 -6.626 23.033 -6.112 342 HG21 ILE 31 HG21 ILE 31 -7.464 19.637 -4.524 343 HG22 ILE 31 HG22 ILE 31 -8.641 20.632 -5.382 344 HG23 ILE 31 HG23 ILE 31 -7.580 21.364 -4.176 345 HD11 ILE 31 HD11 ILE 31 -6.753 23.145 -8.624 346 HD12 ILE 31 HD12 ILE 31 -6.411 21.409 -8.608 347 HD13 ILE 31 HD13 ILE 31 -5.249 22.546 -7.930 348 H MET 32 H MET 32 -4.735 18.759 -6.581 349 HA MET 32 HA MET 32 -5.444 17.015 -4.548 350 HB2 MET 32 HB3 MET 32 -3.806 16.608 -7.041 351 HB3 MET 32 HB2 MET 32 -4.214 15.289 -5.953 352 HG2 MET 32 HG3 MET 32 -6.039 16.956 -7.631 353 HG3 MET 32 HG2 MET 32 -5.809 15.214 -7.666 354 HE1 MET 32 HE1 MET 32 -5.565 14.496 -4.940 355 HE2 MET 32 HE2 MET 32 -7.034 13.586 -5.304 356 HE3 MET 32 HE3 MET 32 -6.966 14.635 -3.873 357 H ARG 33 H ARG 33 -2.400 18.548 -5.328 358 HA ARG 33 HA ARG 33 -0.800 16.794 -3.752 359 HB2 ARG 33 HB3 ARG 33 -0.194 19.652 -4.536 360 HB3 ARG 33 HB2 ARG 33 0.966 18.454 -3.969 361 HG2 ARG 33 HG3 ARG 33 0.065 17.096 -6.035 362 HG3 ARG 33 HG2 ARG 33 -0.374 18.705 -6.610 363 HD2 ARG 33 HD3 ARG 33 2.371 17.743 -5.818 364 HD3 ARG 33 HD2 ARG 33 1.808 18.116 -7.444 365 HE ARG 33 HE ARG 33 2.052 20.164 -5.332 366 HH11 ARG 33 HH11 ARG 33 2.424 19.121 -8.649 367 HH12 ARG 33 HH12 ARG 33 3.230 20.569 -9.149 368 HH21 ARG 33 HH21 ARG 33 3.105 22.089 -5.998 369 HH22 ARG 33 HH22 ARG 33 3.614 22.256 -7.649 370 H GLN 34 H GLN 34 -2.880 19.455 -3.054 371 HA GLN 34 HA GLN 34 -1.766 19.968 -0.452 372 HB2 GLN 34 HB3 GLN 34 -4.426 20.825 -1.610 373 HB3 GLN 34 HB2 GLN 34 -3.703 21.439 -0.132 374 HG2 GLN 34 HG3 GLN 34 -2.799 21.868 -2.960 375 HG3 GLN 34 HG2 GLN 34 -3.327 23.069 -1.785 376 HE21 GLN 34 HE21 GLN 34 -0.723 21.126 -2.913 377 HE22 GLN 34 HE22 GLN 34 0.515 21.804 -1.916 378 H VAL 35 H VAL 35 -4.324 17.942 -1.786 379 HA VAL 35 HA VAL 35 -5.320 17.307 0.844 380 HB VAL 35 HB VAL 35 -6.791 15.679 -0.524 381 HG11 VAL 35 HG11 VAL 35 -8.318 17.424 -1.105 382 HG12 VAL 35 HG12 VAL 35 -7.007 18.596 -1.214 383 HG13 VAL 35 HG13 VAL 35 -7.471 17.934 0.358 384 HG21 VAL 35 HG21 VAL 35 -5.495 15.570 -2.522 385 HG22 VAL 35 HG22 VAL 35 -5.632 17.315 -2.736 386 HG23 VAL 35 HG23 VAL 35 -7.066 16.295 -2.861 387 H ILE 36 H ILE 36 -3.910 15.414 -1.849 388 HA ILE 36 HA ILE 36 -3.655 12.976 -0.721 389 HB ILE 36 HB ILE 36 -1.596 14.290 -2.479 390 HG12 ILE 36 HG13 ILE 36 -4.031 12.621 -3.144 391 HG13 ILE 36 HG12 ILE 36 -3.920 14.362 -3.348 392 HG21 ILE 36 HG21 ILE 36 -2.225 11.386 -1.966 393 HG22 ILE 36 HG22 ILE 36 -0.788 12.248 -1.412 394 HG23 ILE 36 HG23 ILE 36 -1.054 11.999 -3.136 395 HD11 ILE 36 HD11 ILE 36 -2.050 13.968 -4.946 396 HD12 ILE 36 HD12 ILE 36 -3.621 13.358 -5.465 397 HD13 ILE 36 HD13 ILE 36 -2.403 12.241 -4.834 398 H LYS 37 H LYS 37 -1.305 15.642 -0.283 399 HA LYS 37 HA LYS 37 0.518 13.978 1.166 400 HB2 LYS 37 HB3 LYS 37 0.418 16.970 0.827 401 HB3 LYS 37 HB2 LYS 37 1.708 16.119 1.659 402 HG2 LYS 37 HG3 LYS 37 2.035 14.823 -0.502 403 HG3 LYS 37 HG2 LYS 37 0.994 16.036 -1.250 404 HD2 LYS 37 HD3 LYS 37 3.589 16.559 0.201 405 HD3 LYS 37 HD2 LYS 37 3.338 16.620 -1.544 406 HE2 LYS 37 HE3 LYS 37 1.838 18.492 -1.309 407 HE3 LYS 37 HE2 LYS 37 1.912 18.376 0.449 408 HZ1 LYS 37 HZ1 LYS 37 4.282 18.903 0.328 409 HZ2 LYS 37 HZ2 LYS 37 3.337 20.133 -0.339 410 HZ3 LYS 37 HZ3 LYS 37 4.170 19.069 -1.350 411 H LEU 38 H LEU 38 -2.230 15.842 2.074 412 HA LEU 38 HA LEU 38 -1.327 16.088 4.832 413 HB2 LEU 38 HB3 LEU 38 -3.574 17.238 3.257 414 HB3 LEU 38 HB2 LEU 38 -3.776 17.088 4.989 415 HG LEU 38 HG LEU 38 -3.006 19.324 4.398 416 HD11 LEU 38 HD11 LEU 38 -1.097 19.470 5.889 417 HD12 LEU 38 HD12 LEU 38 -0.853 17.730 5.777 418 HD13 LEU 38 HD13 LEU 38 -2.310 18.369 6.535 419 HD21 LEU 38 HD21 LEU 38 -0.780 19.687 3.453 420 HD22 LEU 38 HD22 LEU 38 -1.819 18.800 2.336 421 HD23 LEU 38 HD23 LEU 38 -0.579 17.946 3.255 422 H ALA 39 H ALA 39 -2.872 13.844 2.956 423 HA ALA 39 HA ALA 39 -4.599 12.786 4.992 424 HB1 ALA 39 HB1 ALA 39 -5.080 11.032 3.417 425 HB2 ALA 39 HB2 ALA 39 -3.732 11.528 2.394 426 HB3 ALA 39 HB3 ALA 39 -5.131 12.585 2.585 427 H GLY 40 H GLY 40 -3.685 11.909 6.712 428 HA2 GLY 40 HA3 GLY 40 -1.149 10.638 6.773 429 HA3 GLY 40 HA2 GLY 40 -2.395 10.506 8.009 430 H VAL 41 H VAL 41 -0.600 8.465 6.669 431 HA VAL 41 HA VAL 41 -2.718 6.806 5.476 432 HB VAL 41 HB VAL 41 0.212 6.659 4.775 433 HG11 VAL 41 HG11 VAL 41 -2.234 5.421 3.526 434 HG12 VAL 41 HG12 VAL 41 -0.988 4.578 4.449 435 HG13 VAL 41 HG13 VAL 41 -0.592 5.305 2.890 436 HG21 VAL 41 HG21 VAL 41 -2.040 7.978 3.264 437 HG22 VAL 41 HG22 VAL 41 -0.409 7.725 2.648 438 HG23 VAL 41 HG23 VAL 41 -0.675 8.793 4.026 439 H THR 42 H THR 42 -3.206 5.063 6.559 440 HA THR 42 HA THR 42 -1.123 3.760 8.187 441 HB THR 42 HB THR 42 -4.124 3.661 8.582 442 HG1 THR 42 HG1 THR 42 -2.670 5.642 9.149 443 HG21 THR 42 HG21 THR 42 -3.594 2.542 10.693 444 HG22 THR 42 HG22 THR 42 -1.878 2.587 10.295 445 HG23 THR 42 HG23 THR 42 -2.983 1.618 9.322 446 H LYS 43 H LYS 43 -0.426 1.922 7.319 447 HA LYS 43 HA LYS 43 -2.112 0.541 5.348 448 HB2 LYS 43 HB3 LYS 43 0.856 0.486 5.889 449 HB3 LYS 43 HB2 LYS 43 0.072 -0.693 4.850 450 HG2 LYS 43 HG3 LYS 43 0.127 2.290 4.420 451 HG3 LYS 43 HG2 LYS 43 1.078 1.088 3.543 452 HD2 LYS 43 HD3 LYS 43 -1.200 0.031 2.979 453 HD3 LYS 43 HD2 LYS 43 -1.876 1.585 3.459 454 HE2 LYS 43 HE3 LYS 43 0.211 1.172 1.324 455 HE3 LYS 43 HE2 LYS 43 -1.507 1.411 1.029 456 HZ1 LYS 43 HZ1 LYS 43 0.458 3.354 2.092 457 HZ2 LYS 43 HZ2 LYS 43 -1.208 3.582 2.262 458 HZ3 LYS 43 HZ3 LYS 43 -0.528 3.495 0.715 459 H LYS 44 H LYS 44 -2.923 -1.463 5.758 460 HA LYS 44 HA LYS 44 -1.969 -2.812 8.190 461 HB2 LYS 44 HB3 LYS 44 -4.037 -1.599 8.676 462 HB3 LYS 44 HB2 LYS 44 -4.835 -2.403 7.334 463 HG2 LYS 44 HG3 LYS 44 -4.339 -4.580 8.532 464 HG3 LYS 44 HG2 LYS 44 -3.917 -3.588 9.932 465 HD2 LYS 44 HD3 LYS 44 -6.544 -3.481 8.465 466 HD3 LYS 44 HD2 LYS 44 -6.269 -4.363 9.971 467 HE2 LYS 44 HE3 LYS 44 -5.776 -2.314 11.134 468 HE3 LYS 44 HE2 LYS 44 -5.836 -1.398 9.629 469 HZ1 LYS 44 HZ1 LYS 44 -7.874 -1.075 10.773 470 HZ2 LYS 44 HZ2 LYS 44 -8.096 -2.734 11.000 471 HZ3 LYS 44 HZ3 LYS 44 -8.202 -2.075 9.443 472 H PHE 45 H PHE 45 -1.471 -4.864 7.876 473 HA PHE 45 HA PHE 45 -2.745 -6.328 5.646 474 HB2 PHE 45 HB3 PHE 45 0.091 -6.596 6.669 475 HB3 PHE 45 HB2 PHE 45 -0.652 -7.684 5.506 476 HD1 PHE 45 HD1 PHE 45 0.460 -4.205 6.060 477 HD2 PHE 45 HD2 PHE 45 -0.743 -7.145 3.222 478 HE1 PHE 45 HE1 PHE 45 1.185 -2.734 4.227 479 HE2 PHE 45 HE2 PHE 45 -0.016 -5.678 1.388 480 HZ PHE 45 HZ PHE 45 0.982 -3.479 1.897 481 H ARG 46 H ARG 46 -3.716 -8.230 6.210 482 HA ARG 46 HA ARG 46 -2.909 -9.687 8.552 483 HB2 ARG 46 HB3 ARG 46 -5.076 -9.456 9.729 484 HB3 ARG 46 HB2 ARG 46 -4.178 -7.945 9.655 485 HG2 ARG 46 HG3 ARG 46 -5.584 -7.161 7.851 486 HG3 ARG 46 HG2 ARG 46 -6.440 -8.703 7.821 487 HD2 ARG 46 HD3 ARG 46 -6.366 -6.774 10.134 488 HD3 ARG 46 HD2 ARG 46 -7.707 -6.980 9.008 489 HE ARG 46 HE ARG 46 -6.928 -9.415 10.318 490 HH11 ARG 46 HH11 ARG 46 -8.881 -6.526 10.565 491 HH12 ARG 46 HH12 ARG 46 -10.011 -7.229 11.679 492 HH21 ARG 46 HH21 ARG 46 -8.401 -10.353 11.777 493 HH22 ARG 46 HH22 ARG 46 -9.726 -9.411 12.384 494 H ASN 47 H ASN 47 -4.440 -11.473 9.004 495 HA ASN 47 HA ASN 47 -5.164 -12.934 6.662 496 HB2 ASN 47 HB3 ASN 47 -5.850 -13.332 9.584 497 HB3 ASN 47 HB2 ASN 47 -6.290 -14.475 8.322 498 HD21 ASN 47 HD21 ASN 47 -4.537 -14.668 10.701 499 HD22 ASN 47 HD22 ASN 47 -3.024 -15.256 10.100 500 H ALA 48 H ALA 48 -7.273 -13.356 5.820 501 HA ALA 48 HA ALA 48 -9.043 -11.228 5.731 502 HB1 ALA 48 HB1 ALA 48 -9.787 -14.118 5.313 503 HB2 ALA 48 HB2 ALA 48 -8.923 -13.139 4.122 504 HB3 ALA 48 HB3 ALA 48 -10.563 -12.695 4.611 505 H ALA 49 H ALA 49 -10.952 -10.774 6.614 506 HA ALA 49 HA ALA 49 -10.905 -10.875 9.390 507 HB1 ALA 49 HB1 ALA 49 -13.242 -10.138 7.668 508 HB2 ALA 49 HB2 ALA 49 -11.844 -9.100 7.940 509 HB3 ALA 49 HB3 ALA 49 -12.880 -9.562 9.296 510 H SER 50 H SER 50 -12.740 -12.820 7.091 511 HA SER 50 HA SER 50 -14.400 -14.003 9.083 512 HB2 SER 50 HB3 SER 50 -14.767 -15.637 7.059 513 HB3 SER 50 HB2 SER 50 -15.392 -13.987 6.993 514 HG SER 50 HG SER 50 -14.185 -13.725 5.307 515 H GLY 51 H GLY 51 -11.276 -14.251 9.085 516 HA2 GLY 51 HA3 GLY 51 -9.817 -15.781 9.951 517 HA3 GLY 51 HA2 GLY 51 -11.218 -16.718 10.438 518 H LYS 52 H LYS 52 -10.108 -15.844 7.190 519 HA LYS 52 HA LYS 52 -9.954 -18.722 6.594 520 HB2 LYS 52 HB3 LYS 52 -10.576 -16.382 4.791 521 HB3 LYS 52 HB2 LYS 52 -10.313 -18.020 4.211 522 HG2 LYS 52 HG3 LYS 52 -12.231 -18.781 5.535 523 HG3 LYS 52 HG2 LYS 52 -12.496 -17.125 6.082 524 HD2 LYS 52 HD3 LYS 52 -12.634 -18.118 3.235 525 HD3 LYS 52 HD2 LYS 52 -14.000 -17.656 4.253 526 HE2 LYS 52 HE3 LYS 52 -13.023 -15.370 4.405 527 HE3 LYS 52 HE2 LYS 52 -11.798 -15.865 3.240 528 HZ1 LYS 52 HZ1 LYS 52 -13.608 -14.686 2.182 529 HZ2 LYS 52 HZ2 LYS 52 -14.724 -15.826 2.757 530 HZ3 LYS 52 HZ3 LYS 52 -13.547 -16.290 1.636 531 HA PRO 53 HA PRO 53 -5.618 -17.966 5.856 532 HB2 PRO 53 HB3 PRO 53 -4.962 -20.439 5.036 533 HB3 PRO 53 HB2 PRO 53 -5.322 -20.085 6.729 534 HG2 PRO 53 HG3 PRO 53 -7.073 -21.316 4.640 535 HG3 PRO 53 HG2 PRO 53 -6.864 -21.777 6.337 536 HD2 PRO 53 HD3 PRO 53 -8.963 -20.284 5.427 537 HD3 PRO 53 HD2 PRO 53 -8.329 -20.179 7.079 538 H ASP 54 H ASP 54 -4.185 -17.850 4.060 539 HA ASP 54 HA ASP 54 -3.498 -17.708 1.878 540 HB2 ASP 54 HB3 ASP 54 -5.798 -19.608 1.378 541 HB3 ASP 54 HB2 ASP 54 -4.674 -19.084 0.132 542 H ARG 55 H ARG 55 -6.075 -16.415 3.145 543 HA ARG 55 HA ARG 55 -6.487 -14.600 0.901 544 HB2 ARG 55 HB3 ARG 55 -8.653 -15.956 2.500 545 HB3 ARG 55 HB2 ARG 55 -8.929 -14.408 1.714 546 HG2 ARG 55 HG3 ARG 55 -8.019 -16.891 0.277 547 HG3 ARG 55 HG2 ARG 55 -9.700 -16.372 0.409 548 HD2 ARG 55 HD3 ARG 55 -9.247 -14.358 -0.792 549 HD3 ARG 55 HD2 ARG 55 -7.512 -14.658 -0.753 550 HE ARG 55 HE ARG 55 -8.437 -16.813 -2.068 551 HH11 ARG 55 HH11 ARG 55 -9.129 -13.400 -2.475 552 HH12 ARG 55 HH12 ARG 55 -9.271 -13.506 -4.201 553 HH21 ARG 55 HH21 ARG 55 -8.617 -16.956 -4.337 554 HH22 ARG 55 HH22 ARG 55 -8.936 -15.523 -5.278 555 H TYR 56 H TYR 56 -6.101 -12.584 1.534 556 HA TYR 56 HA TYR 56 -5.973 -12.131 4.438 557 HB2 TYR 56 HB3 TYR 56 -4.234 -11.006 2.237 558 HB3 TYR 56 HB2 TYR 56 -4.134 -10.548 3.933 559 HD1 TYR 56 HD1 TYR 56 -3.375 -13.142 1.469 560 HD2 TYR 56 HD2 TYR 56 -3.245 -12.101 5.593 561 HE1 TYR 56 HE1 TYR 56 -1.825 -15.002 1.883 562 HE2 TYR 56 HE2 TYR 56 -1.692 -13.957 6.016 563 HH TYR 56 HH TYR 56 -1.141 -16.176 4.929 564 H ASP 57 H ASP 57 -6.075 -9.870 5.086 565 HA ASP 57 HA ASP 57 -7.874 -8.258 3.398 566 HB2 ASP 57 HB3 ASP 57 -9.068 -9.233 5.343 567 HB3 ASP 57 HB2 ASP 57 -7.893 -8.495 6.422 568 H MET 58 H MET 58 -7.211 -6.181 3.083 569 HA MET 58 HA MET 58 -4.989 -5.164 4.697 570 HB2 MET 58 HB3 MET 58 -3.997 -6.388 2.788 571 HB3 MET 58 HB2 MET 58 -4.907 -5.382 1.676 572 HG2 MET 58 HG3 MET 58 -2.960 -4.209 3.624 573 HG3 MET 58 HG2 MET 58 -2.448 -4.836 2.056 574 HE1 MET 58 HE1 MET 58 -2.374 -0.915 1.716 575 HE2 MET 58 HE2 MET 58 -1.398 -2.386 1.800 576 HE3 MET 58 HE3 MET 58 -2.180 -1.754 3.253 577 H GLU 59 H GLU 59 -4.984 -2.937 4.894 578 HA GLU 59 HA GLU 59 -7.020 -1.504 3.351 579 HB2 GLU 59 HB3 GLU 59 -6.698 -1.289 6.349 580 HB3 GLU 59 HB2 GLU 59 -7.834 -0.374 5.367 581 HG2 GLU 59 HG3 GLU 59 -8.981 -2.449 4.763 582 HG3 GLU 59 HG2 GLU 59 -7.847 -3.359 5.761 583 H ASN 60 H ASN 60 -6.684 0.624 2.952 584 HA ASN 60 HA ASN 60 -4.105 1.757 3.828 585 HB2 ASN 60 HB3 ASN 60 -5.540 2.670 1.335 586 HB3 ASN 60 HB2 ASN 60 -3.857 2.900 1.769 587 HD21 ASN 60 HD21 ASN 60 -2.984 2.104 -0.055 588 HD22 ASN 60 HD22 ASN 60 -3.088 0.445 -0.538 589 H LEU 61 H LEU 61 -5.411 2.472 5.712 590 HA LEU 61 HA LEU 61 -7.647 4.186 5.328 591 HB2 LEU 61 HB3 LEU 61 -7.159 2.673 7.291 592 HB3 LEU 61 HB2 LEU 61 -5.938 3.822 7.783 593 HG LEU 61 HG LEU 61 -8.174 3.911 8.959 594 HD11 LEU 61 HD11 LEU 61 -7.158 6.439 7.679 595 HD12 LEU 61 HD12 LEU 61 -6.522 5.691 9.145 596 HD13 LEU 61 HD13 LEU 61 -8.161 6.341 9.126 597 HD21 LEU 61 HD21 LEU 61 -9.590 3.694 6.983 598 HD22 LEU 61 HD22 LEU 61 -9.006 5.250 6.393 599 HD23 LEU 61 HD23 LEU 61 -9.952 5.168 7.879 600 H THR 62 H THR 62 -7.677 6.339 5.046 601 HA THR 62 HA THR 62 -5.311 7.908 5.745 602 HB THR 62 HB THR 62 -5.403 9.164 3.669 603 HG1 THR 62 HG1 THR 62 -6.835 7.988 1.987 604 HG21 THR 62 HG21 THR 62 -5.318 6.192 3.167 605 HG22 THR 62 HG22 THR 62 -3.963 7.213 3.649 606 HG23 THR 62 HG23 THR 62 -4.710 7.425 2.068 607 H THR 63 H THR 63 -6.038 10.385 5.196 608 HA THR 63 HA THR 63 -8.462 10.772 6.775 609 HB THR 63 HB THR 63 -7.710 13.020 7.135 610 HG1 THR 63 HG1 THR 63 -6.510 14.012 5.690 611 HG21 THR 63 HG21 THR 63 -6.526 11.328 8.443 612 HG22 THR 63 HG22 THR 63 -5.449 12.670 8.044 613 HG23 THR 63 HG23 THR 63 -5.337 11.154 7.150 614 H LYS 64 H LYS 64 -7.421 10.851 3.540 615 HA LYS 64 HA LYS 64 -9.564 12.692 2.741 616 HB2 LYS 64 HB3 LYS 64 -7.313 13.302 1.997 617 HB3 LYS 64 HB2 LYS 64 -7.117 11.731 1.241 618 HG2 LYS 64 HG3 LYS 64 -7.577 13.233 -0.497 619 HG3 LYS 64 HG2 LYS 64 -9.074 12.336 -0.236 620 HD2 LYS 64 HD3 LYS 64 -9.879 14.242 1.166 621 HD3 LYS 64 HD2 LYS 64 -8.427 15.130 0.694 622 HE2 LYS 64 HE3 LYS 64 -10.319 15.769 -0.695 623 HE3 LYS 64 HE2 LYS 64 -9.077 14.962 -1.650 624 HZ1 LYS 64 HZ1 LYS 64 -10.387 12.915 -1.504 625 HZ2 LYS 64 HZ2 LYS 64 -11.246 14.159 -2.257 626 HZ3 LYS 64 HZ3 LYS 64 -11.595 13.743 -0.659 627 H LYS 65 H LYS 65 -8.588 9.401 2.726 628 HA LYS 65 HA LYS 65 -10.917 8.694 1.142 629 HB2 LYS 65 HB3 LYS 65 -8.832 8.880 -0.338 630 HB3 LYS 65 HB2 LYS 65 -8.267 7.442 0.495 631 HG2 LYS 65 HG3 LYS 65 -9.349 7.023 -1.715 632 HG3 LYS 65 HG2 LYS 65 -10.070 6.134 -0.379 633 HD2 LYS 65 HD3 LYS 65 -11.799 7.963 -0.251 634 HD3 LYS 65 HD2 LYS 65 -11.135 8.586 -1.760 635 HE2 LYS 65 HE3 LYS 65 -11.653 6.514 -2.882 636 HE3 LYS 65 HE2 LYS 65 -12.188 5.791 -1.368 637 HZ1 LYS 65 HZ1 LYS 65 -14.105 6.446 -2.549 638 HZ2 LYS 65 HZ2 LYS 65 -13.490 7.991 -2.869 639 HZ3 LYS 65 HZ3 LYS 65 -13.923 7.567 -1.290 640 H ASP 66 H ASP 66 -9.532 5.995 1.063 641 HA ASP 66 HA ASP 66 -9.434 4.575 3.293 642 HB2 ASP 66 HB3 ASP 66 -11.363 5.649 4.287 643 HB3 ASP 66 HB2 ASP 66 -12.326 5.309 2.859 644 H THR 67 H THR 67 -8.924 2.715 2.409 645 HA THR 67 HA THR 67 -10.653 1.620 0.292 646 HB THR 67 HB THR 67 -8.644 0.373 -0.508 647 HG1 THR 67 HG1 THR 67 -6.798 0.554 0.544 648 HG21 THR 67 HG21 THR 67 -7.558 2.290 -1.601 649 HG22 THR 67 HG22 THR 67 -8.363 3.379 -0.473 650 HG23 THR 67 HG23 THR 67 -9.314 2.440 -1.620 651 H HIS 68 H HIS 68 -10.765 -0.765 0.273 652 HA HIS 68 HA HIS 68 -9.904 -2.046 2.746 653 HB2 HIS 68 HB3 HIS 68 -12.316 -1.153 2.919 654 HB3 HIS 68 HB2 HIS 68 -12.728 -2.434 1.785 655 HD1 HIS 68 HD1 HIS 68 -13.732 -2.251 4.782 656 HD2 HIS 68 HD2 HIS 68 -10.607 -4.612 3.392 657 HE1 HIS 68 HE1 HIS 68 -13.499 -4.120 6.446 658 HE2 HIS 68 HE2 HIS 68 -11.497 -5.439 5.666 659 H HIS 69 H HIS 69 -8.428 -3.162 1.482 660 HA HIS 69 HA HIS 69 -9.268 -4.746 -0.774 661 HB2 HIS 69 HB3 HIS 69 -6.698 -4.853 0.825 662 HB3 HIS 69 HB2 HIS 69 -6.976 -5.639 -0.720 663 HD1 HIS 69 HD1 HIS 69 -8.407 -2.968 -1.953 664 HD2 HIS 69 HD2 HIS 69 -4.668 -3.269 -0.149 665 HE1 HIS 69 HE1 HIS 69 -7.032 -1.089 -2.899 666 HE2 HIS 69 HE2 HIS 69 -4.707 -1.466 -1.992 667 H LYS 70 H LYS 70 -10.938 -5.999 0.134 668 HA LYS 70 HA LYS 70 -10.295 -7.723 2.380 669 HB2 LYS 70 HB3 LYS 70 -12.756 -8.397 2.047 670 HB3 LYS 70 HB2 LYS 70 -12.396 -6.795 2.670 671 HG2 LYS 70 HG3 LYS 70 -12.876 -5.779 0.590 672 HG3 LYS 70 HG2 LYS 70 -12.914 -7.334 -0.239 673 HD2 LYS 70 HD3 LYS 70 -15.155 -6.307 0.198 674 HD3 LYS 70 HD2 LYS 70 -14.960 -7.940 0.823 675 HE2 LYS 70 HE3 LYS 70 -14.436 -5.573 2.566 676 HE3 LYS 70 HE2 LYS 70 -16.089 -6.103 2.277 677 HZ1 LYS 70 HZ1 LYS 70 -13.901 -7.702 3.492 678 HZ2 LYS 70 HZ2 LYS 70 -15.418 -8.322 3.091 679 HZ3 LYS 70 HZ3 LYS 70 -15.284 -7.119 4.271 680 H ASP 71 H ASP 71 -9.733 -9.743 2.222 681 HA ASP 71 HA ASP 71 -9.700 -11.939 1.632 682 HB2 ASP 71 HB3 ASP 71 -12.097 -11.047 0.052 683 HB3 ASP 71 HB2 ASP 71 -11.519 -12.706 -0.011 684 H TRP 72 H TRP 72 -7.772 -10.485 0.431 685 HA TRP 72 HA TRP 72 -7.800 -11.345 -2.382 686 HB2 TRP 72 HB3 TRP 72 -5.884 -9.808 -2.686 687 HB3 TRP 72 HB2 TRP 72 -7.325 -8.976 -2.110 688 HD1 TRP 72 HD1 TRP 72 -7.224 -7.849 0.254 689 HE1 TRP 72 HE1 TRP 72 -5.313 -7.349 1.890 690 HE3 TRP 72 HE3 TRP 72 -3.563 -10.785 -1.805 691 HZ2 TRP 72 HZ2 TRP 72 -2.612 -8.099 2.244 692 HZ3 TRP 72 HZ3 TRP 72 -1.353 -10.800 -0.704 693 HH2 TRP 72 HH2 TRP 72 -0.902 -9.490 1.256 694 H ALA 73 H ALA 73 -5.909 -12.370 -3.244 695 HA ALA 73 HA ALA 73 -3.977 -13.346 -1.262 696 HB1 ALA 73 HB1 ALA 73 -3.903 -15.493 -2.480 697 HB2 ALA 73 HB2 ALA 73 -5.232 -14.940 -3.499 698 HB3 ALA 73 HB3 ALA 73 -5.487 -15.179 -1.771 699 H LEU 74 H LEU 74 -1.857 -13.698 -2.153 700 HA LEU 74 HA LEU 74 -1.165 -12.008 -4.293 701 HB2 LEU 74 HB3 LEU 74 1.039 -13.462 -4.216 702 HB3 LEU 74 HB2 LEU 74 0.690 -12.233 -3.026 703 HG LEU 74 HG LEU 74 1.646 -14.459 -2.223 704 HD11 LEU 74 HD11 LEU 74 -0.852 -13.332 -0.975 705 HD12 LEU 74 HD12 LEU 74 0.813 -12.851 -0.657 706 HD13 LEU 74 HD13 LEU 74 0.252 -14.451 -0.180 707 HD21 LEU 74 HD21 LEU 74 0.115 -16.269 -1.850 708 HD22 LEU 74 HD22 LEU 74 0.143 -15.868 -3.573 709 HD23 LEU 74 HD23 LEU 74 -1.205 -15.341 -2.565 710 H GLY 75 H GLY 75 -0.485 -12.464 -6.322 711 HA2 GLY 75 HA3 GLY 75 -0.660 -13.464 -8.406 712 HA3 GLY 75 HA2 GLY 75 -1.051 -14.978 -7.601 713 H GLU 76 H GLU 76 -3.031 -12.616 -6.365 714 HA GLU 76 HA GLU 76 -5.205 -13.375 -8.198 715 HB2 GLU 76 HB3 GLU 76 -5.459 -14.294 -5.952 716 HB3 GLU 76 HB2 GLU 76 -5.260 -12.698 -5.249 717 HG2 GLU 76 HG3 GLU 76 -7.556 -13.286 -5.193 718 HG3 GLU 76 HG2 GLU 76 -7.343 -11.993 -6.368 719 H GLU 77 H GLU 77 -6.888 -11.783 -8.518 720 HA GLU 77 HA GLU 77 -6.075 -8.985 -8.077 721 HB2 GLU 77 HB3 GLU 77 -6.460 -8.380 -10.351 722 HB3 GLU 77 HB2 GLU 77 -5.409 -9.790 -10.396 723 HG2 GLU 77 HG3 GLU 77 -7.894 -10.912 -10.495 724 HG3 GLU 77 HG2 GLU 77 -8.114 -9.427 -11.414 725 H PHE 78 H PHE 78 -7.819 -7.668 -7.613 726 HA PHE 78 HA PHE 78 -10.516 -8.682 -8.137 727 HB2 PHE 78 HB3 PHE 78 -11.229 -8.264 -5.844 728 HB3 PHE 78 HB2 PHE 78 -9.903 -9.417 -5.854 729 HD1 PHE 78 HD1 PHE 78 -7.587 -8.590 -5.296 730 HD2 PHE 78 HD2 PHE 78 -11.098 -6.287 -4.609 731 HE1 PHE 78 HE1 PHE 78 -6.354 -7.194 -3.690 732 HE2 PHE 78 HE2 PHE 78 -9.869 -4.890 -3.005 733 HZ PHE 78 HZ PHE 78 -7.497 -5.327 -2.560 734 H GLN 79 H GLN 79 -12.164 -7.018 -7.974 735 HA GLN 79 HA GLN 79 -11.117 -4.409 -8.707 736 HB2 GLN 79 HB3 GLN 79 -13.019 -5.580 -9.932 737 HB3 GLN 79 HB2 GLN 79 -14.017 -5.229 -8.528 738 HG2 GLN 79 HG3 GLN 79 -13.651 -2.846 -8.849 739 HG3 GLN 79 HG2 GLN 79 -12.621 -3.184 -10.238 740 HE21 GLN 79 HE21 GLN 79 -13.554 -3.994 -12.127 741 HE22 GLN 79 HE22 GLN 79 -15.245 -3.824 -12.448 742 H ASP 80 H ASP 80 -11.428 -2.549 -7.545 743 HA ASP 80 HA ASP 80 -12.855 -2.534 -5.043 744 HB2 ASP 80 HB3 ASP 80 -10.766 -3.820 -4.496 745 HB3 ASP 80 HB2 ASP 80 -9.832 -2.399 -4.932 746 H GLU 81 H GLU 81 -12.456 -0.432 -3.865 747 HA GLU 81 HA GLU 81 -12.104 1.695 -5.863 748 HB2 GLU 81 HB3 GLU 81 -14.308 1.631 -4.710 749 HB3 GLU 81 HB2 GLU 81 -13.483 1.826 -3.169 750 HG2 GLU 81 HG3 GLU 81 -12.624 3.998 -3.919 751 HG3 GLU 81 HG2 GLU 81 -13.496 3.806 -5.439 752 H ALA 82 H ALA 82 -10.144 2.326 -5.854 753 HA ALA 82 HA ALA 82 -8.445 1.961 -3.563 754 HB1 ALA 82 HB1 ALA 82 -7.901 1.445 -5.974 755 HB2 ALA 82 HB2 ALA 82 -6.662 2.293 -5.041 756 HB3 ALA 82 HB3 ALA 82 -7.671 3.180 -6.185 757 H LEU 83 H LEU 83 -6.675 3.804 -3.311 758 HA LEU 83 HA LEU 83 -7.824 5.977 -2.042 759 HB2 LEU 83 HB3 LEU 83 -5.082 5.772 -3.293 760 HB3 LEU 83 HB2 LEU 83 -5.584 7.080 -2.248 761 HG LEU 83 HG LEU 83 -4.310 5.668 -0.887 762 HD11 LEU 83 HD11 LEU 83 -6.351 6.368 0.195 763 HD12 LEU 83 HD12 LEU 83 -5.875 4.765 0.751 764 HD13 LEU 83 HD13 LEU 83 -7.187 4.941 -0.411 765 HD21 LEU 83 HD21 LEU 83 -4.237 3.743 -2.397 766 HD22 LEU 83 HD22 LEU 83 -5.873 3.308 -1.909 767 HD23 LEU 83 HD23 LEU 83 -4.563 3.268 -0.732 768 H ASP 84 H ASP 84 -7.070 5.448 -5.336 769 HA ASP 84 HA ASP 84 -7.035 8.129 -6.247 770 HB2 ASP 84 HB3 ASP 84 -7.332 7.035 -8.517 771 HB3 ASP 84 HB2 ASP 84 -5.923 6.540 -7.591 772 H SER 85 H SER 85 -9.549 6.504 -4.978 773 HA SER 85 HA SER 85 -11.727 7.051 -4.748 774 HB2 SER 85 HB3 SER 85 -11.089 9.387 -6.557 775 HB3 SER 85 HB2 SER 85 -12.517 9.222 -5.537 776 HG SER 85 HG SER 85 -9.914 9.074 -4.445 777 H THR 86 H THR 86 -10.601 5.538 -7.175 778 HA THR 86 HA THR 86 -13.223 5.400 -8.495 779 HB THR 86 HB THR 86 -11.950 4.597 -10.560 780 HG1 THR 86 HG1 THR 86 -9.860 5.088 -8.920 781 HG21 THR 86 HG21 THR 86 -11.650 7.478 -9.724 782 HG22 THR 86 HG22 THR 86 -13.082 6.755 -10.456 783 HG23 THR 86 HG23 THR 86 -11.583 6.869 -11.376 784 H GLN 87 H GLN 87 -13.516 3.211 -9.608 785 HA GLN 87 HA GLN 87 -12.377 1.157 -7.841 786 HB2 GLN 87 HB3 GLN 87 -14.533 -0.112 -8.833 787 HB3 GLN 87 HB2 GLN 87 -14.572 0.801 -7.334 788 HG2 GLN 87 HG3 GLN 87 -15.235 2.127 -9.926 789 HG3 GLN 87 HG2 GLN 87 -16.432 1.138 -9.096 790 HE21 GLN 87 HE21 GLN 87 -15.525 1.815 -6.455 791 HE22 GLN 87 HE22 GLN 87 -16.007 3.445 -6.150 792 H HIS 88 H HIS 88 -11.143 -0.259 -8.772 793 HA HIS 88 HA HIS 88 -11.419 -0.913 -11.577 794 HB2 HIS 88 HB3 HIS 88 -9.010 -0.307 -12.018 795 HB3 HIS 88 HB2 HIS 88 -10.121 1.051 -11.868 796 HD1 HIS 88 HD1 HIS 88 -7.494 -0.797 -9.852 797 HD2 HIS 88 HD2 HIS 88 -9.432 2.882 -9.985 798 HE1 HIS 88 HE1 HIS 88 -6.367 0.637 -8.118 799 HE2 HIS 88 HE2 HIS 88 -7.432 2.916 -8.349 800 H LYS 89 H LYS 89 -9.270 -2.280 -12.123 801 HA LYS 89 HA LYS 89 -9.414 -4.517 -10.359 802 HB2 LYS 89 HB3 LYS 89 -9.126 -4.692 -12.841 803 HB3 LYS 89 HB2 LYS 89 -7.514 -4.024 -12.649 804 HG2 LYS 89 HG3 LYS 89 -6.874 -5.938 -11.269 805 HG3 LYS 89 HG2 LYS 89 -8.490 -6.616 -11.467 806 HD2 LYS 89 HD3 LYS 89 -6.975 -7.694 -13.001 807 HD3 LYS 89 HD2 LYS 89 -8.111 -6.700 -13.912 808 HE2 LYS 89 HE3 LYS 89 -6.427 -4.950 -14.122 809 HE3 LYS 89 HE2 LYS 89 -5.296 -5.906 -13.165 810 HZ1 LYS 89 HZ1 LYS 89 -6.421 -6.688 -15.800 811 HZ2 LYS 89 HZ2 LYS 89 -5.329 -7.597 -14.885 812 HZ3 LYS 89 HZ3 LYS 89 -4.857 -6.111 -15.530 813 H ILE 90 H ILE 90 -7.934 -5.231 -8.935 814 HA ILE 90 HA ILE 90 -5.397 -3.816 -8.676 815 HB ILE 90 HB ILE 90 -7.407 -4.191 -6.464 816 HG12 ILE 90 HG13 ILE 90 -5.833 -1.805 -7.461 817 HG13 ILE 90 HG12 ILE 90 -7.536 -2.118 -7.780 818 HG21 ILE 90 HG21 ILE 90 -5.689 -3.551 -4.875 819 HG22 ILE 90 HG22 ILE 90 -4.489 -3.493 -6.166 820 HG23 ILE 90 HG23 ILE 90 -5.230 -5.037 -5.714 821 HD11 ILE 90 HD11 ILE 90 -7.205 -0.440 -6.055 822 HD12 ILE 90 HD12 ILE 90 -6.327 -1.615 -5.077 823 HD13 ILE 90 HD13 ILE 90 -8.036 -1.863 -5.433 824 H THR 91 H THR 91 -3.843 -5.234 -8.726 825 HA THR 91 HA THR 91 -4.449 -8.020 -8.032 826 HB THR 91 HB THR 91 -2.191 -7.030 -9.759 827 HG1 THR 91 HG1 THR 91 -3.736 -7.936 -11.453 828 HG21 THR 91 HG21 THR 91 -2.198 -9.346 -10.603 829 HG22 THR 91 HG22 THR 91 -3.467 -9.745 -9.443 830 HG23 THR 91 HG23 THR 91 -1.868 -9.268 -8.873 831 H PHE 92 H PHE 92 -3.243 -9.093 -6.597 832 HA PHE 92 HA PHE 92 -0.995 -7.662 -5.324 833 HB2 PHE 92 HB3 PHE 92 -3.075 -9.506 -4.181 834 HB3 PHE 92 HB2 PHE 92 -1.494 -9.383 -3.419 835 HD1 PHE 92 HD1 PHE 92 -4.492 -7.463 -4.390 836 HD2 PHE 92 HD2 PHE 92 -0.957 -7.567 -2.030 837 HE1 PHE 92 HE1 PHE 92 -5.245 -5.455 -3.188 838 HE2 PHE 92 HE2 PHE 92 -1.705 -5.560 -0.820 839 HZ PHE 92 HZ PHE 92 -3.842 -4.533 -1.351 840 H ASP 93 H ASP 93 0.922 -8.794 -5.055 841 HA ASP 93 HA ASP 93 1.108 -11.601 -5.559 842 HB2 ASP 93 HB3 ASP 93 0.839 -10.864 -7.872 843 HB3 ASP 93 HB2 ASP 93 2.144 -9.701 -7.678 844 H LEU 94 H LEU 94 3.220 -12.417 -5.175 845 HA LEU 94 HA LEU 94 4.903 -10.537 -3.694 846 HB2 LEU 94 HB3 LEU 94 4.354 -13.393 -3.517 847 HB3 LEU 94 HB2 LEU 94 6.064 -13.029 -3.444 848 HG LEU 94 HG LEU 94 5.015 -13.206 -1.212 849 HD11 LEU 94 HD11 LEU 94 5.958 -11.157 -0.287 850 HD12 LEU 94 HD12 LEU 94 6.020 -10.450 -1.901 851 HD13 LEU 94 HD13 LEU 94 7.016 -11.852 -1.514 852 HD21 LEU 94 HD21 LEU 94 3.459 -10.795 -2.124 853 HD22 LEU 94 HD22 LEU 94 3.558 -11.356 -0.453 854 HD23 LEU 94 HD23 LEU 94 2.808 -12.375 -1.686 855 H LYS 95 H LYS 95 6.539 -9.656 -4.678 856 HA LYS 95 HA LYS 95 7.288 -10.629 -7.317 857 HB2 LYS 95 HB3 LYS 95 6.829 -8.267 -7.138 858 HB3 LYS 95 HB2 LYS 95 7.958 -8.103 -5.800 859 HG2 LYS 95 HG3 LYS 95 9.820 -8.556 -7.259 860 HG3 LYS 95 HG2 LYS 95 8.724 -8.866 -8.607 861 HD2 LYS 95 HD3 LYS 95 8.021 -6.590 -8.658 862 HD3 LYS 95 HD2 LYS 95 8.846 -6.241 -7.136 863 HE2 LYS 95 HE3 LYS 95 10.257 -7.128 -9.643 864 HE3 LYS 95 HE2 LYS 95 10.027 -5.438 -9.194 865 HZ1 LYS 95 HZ1 LYS 95 12.208 -6.432 -8.540 866 HZ2 LYS 95 HZ2 LYS 95 11.380 -7.410 -7.429 867 HZ3 LYS 95 HZ3 LYS 95 11.344 -5.725 -7.273 868 H ASP 96 H ASP 96 8.795 -9.774 -4.247 869 HA ASP 96 HA ASP 96 10.888 -11.754 -4.775 870 HB2 ASP 96 HB3 ASP 96 11.297 -8.951 -3.698 871 HB3 ASP 96 HB2 ASP 96 12.517 -10.211 -3.630 872 HA PRO 97 HA PRO 97 10.029 -13.244 -0.739 873 HB2 PRO 97 HB3 PRO 97 12.832 -12.991 0.153 874 HB3 PRO 97 HB2 PRO 97 11.843 -14.441 -0.046 875 HG2 PRO 97 HG3 PRO 97 13.830 -13.889 -1.744 876 HG3 PRO 97 HG2 PRO 97 12.309 -14.609 -2.311 877 HD2 PRO 97 HD3 PRO 97 13.214 -11.752 -2.439 878 HD3 PRO 97 HD2 PRO 97 12.424 -12.730 -3.692 879 H ASN 98 H ASN 98 11.146 -10.155 -1.128 880 HA ASN 98 HA ASN 98 10.221 -9.413 1.531 881 HB2 ASN 98 HB3 ASN 98 12.748 -9.567 1.569 882 HB3 ASN 98 HB2 ASN 98 12.776 -8.260 0.391 883 HD21 ASN 98 HD21 ASN 98 13.849 -6.859 1.763 884 HD22 ASN 98 HD22 ASN 98 13.086 -6.137 3.142 885 H THR 99 H THR 99 9.050 -9.280 -1.124 886 HA THR 99 HA THR 99 8.391 -6.461 -1.100 887 HB THR 99 HB THR 99 9.529 -7.681 -3.625 888 HG1 THR 99 HG1 THR 99 10.695 -6.395 -1.555 889 HG21 THR 99 HG21 THR 99 7.693 -6.125 -4.072 890 HG22 THR 99 HG22 THR 99 9.237 -5.429 -4.563 891 HG23 THR 99 HG23 THR 99 8.471 -4.906 -3.062 892 H LEU 100 H LEU 100 6.286 -6.580 -0.951 893 HA LEU 100 HA LEU 100 4.700 -8.454 -2.559 894 HB2 LEU 100 HB3 LEU 100 4.415 -7.667 -0.012 895 HB3 LEU 100 HB2 LEU 100 3.528 -6.368 -0.771 896 HG LEU 100 HG LEU 100 2.858 -9.305 -0.909 897 HD11 LEU 100 HD11 LEU 100 1.370 -7.015 0.351 898 HD12 LEU 100 HD12 LEU 100 2.414 -8.129 1.229 899 HD13 LEU 100 HD13 LEU 100 0.960 -8.729 0.429 900 HD21 LEU 100 HD21 LEU 100 1.393 -6.958 -2.112 901 HD22 LEU 100 HD22 LEU 100 0.843 -8.634 -2.098 902 HD23 LEU 100 HD23 LEU 100 2.284 -8.186 -3.012 903 H THR 101 H THR 101 3.535 -7.707 -4.418 904 HA THR 101 HA THR 101 3.798 -4.822 -4.908 905 HB THR 101 HB THR 101 3.336 -5.502 -7.339 906 HG1 THR 101 HG1 THR 101 2.734 -7.676 -6.898 907 HG21 THR 101 HG21 THR 101 5.486 -4.693 -6.544 908 HG22 THR 101 HG22 THR 101 5.706 -5.980 -7.731 909 HG23 THR 101 HG23 THR 101 5.918 -6.318 -6.012 910 H GLU 102 H GLU 102 2.061 -3.632 -4.989 911 HA GLU 102 HA GLU 102 -0.564 -4.938 -5.318 912 HB2 GLU 102 HB3 GLU 102 -0.169 -3.755 -3.139 913 HB3 GLU 102 HB2 GLU 102 0.014 -2.256 -4.037 914 HG2 GLU 102 HG3 GLU 102 -2.284 -2.477 -4.858 915 HG3 GLU 102 HG2 GLU 102 -2.464 -3.964 -3.930 916 H THR 103 H THR 103 -1.104 -4.780 -7.420 917 HA THR 103 HA THR 103 -0.216 -2.434 -8.926 918 HB THR 103 HB THR 103 -1.398 -5.016 -9.965 919 HG1 THR 103 HG1 THR 103 1.256 -4.678 -10.418 920 HG21 THR 103 HG21 THR 103 0.198 -2.855 -11.350 921 HG22 THR 103 HG22 THR 103 -1.538 -3.116 -11.520 922 HG23 THR 103 HG23 THR 103 -0.403 -4.338 -12.090 923 H HIS 104 H HIS 104 -1.626 -0.821 -9.006 924 HA HIS 104 HA HIS 104 -4.499 -1.346 -8.938 925 HB2 HIS 104 HB3 HIS 104 -2.953 1.254 -8.945 926 HB3 HIS 104 HB2 HIS 104 -4.701 1.132 -8.871 927 HD1 HIS 104 HD1 HIS 104 -4.617 2.454 -6.646 928 HD2 HIS 104 HD2 HIS 104 -2.740 -1.255 -6.536 929 HE1 HIS 104 HE1 HIS 104 -4.268 1.945 -4.209 930 HE2 HIS 104 HE2 HIS 104 -3.235 -0.357 -4.156 931 H ILE 105 H ILE 105 -5.056 -2.127 -10.975 932 HA ILE 105 HA ILE 105 -4.284 -0.450 -13.247 933 HB ILE 105 HB ILE 105 -5.504 -3.203 -13.214 934 HG12 ILE 105 HG13 ILE 105 -2.768 -2.092 -13.828 935 HG13 ILE 105 HG12 ILE 105 -3.207 -3.332 -12.659 936 HG21 ILE 105 HG21 ILE 105 -4.783 -1.438 -15.565 937 HG22 ILE 105 HG22 ILE 105 -6.404 -1.968 -15.104 938 HG23 ILE 105 HG23 ILE 105 -5.220 -3.145 -15.677 939 HD11 ILE 105 HD11 ILE 105 -2.068 -4.262 -14.590 940 HD12 ILE 105 HD12 ILE 105 -3.331 -3.619 -15.640 941 HD13 ILE 105 HD13 ILE 105 -3.719 -4.865 -14.457 942 H LYS 106 H LYS 106 -5.577 1.152 -13.570 943 HA LYS 106 HA LYS 106 -8.287 1.297 -12.874 944 HB2 LYS 106 HB3 LYS 106 -6.735 2.874 -14.940 945 HB3 LYS 106 HB2 LYS 106 -8.320 3.313 -14.314 946 HG2 LYS 106 HG3 LYS 106 -7.395 3.566 -12.084 947 HG3 LYS 106 HG2 LYS 106 -5.808 3.065 -12.669 948 HD2 LYS 106 HD3 LYS 106 -5.714 5.012 -14.125 949 HD3 LYS 106 HD2 LYS 106 -7.324 5.503 -13.597 950 HE2 LYS 106 HE3 LYS 106 -6.475 5.708 -11.291 951 HE3 LYS 106 HE2 LYS 106 -4.865 5.278 -11.864 952 HZ1 LYS 106 HZ1 LYS 106 -6.416 7.654 -12.730 953 HZ2 LYS 106 HZ2 LYS 106 -4.853 7.249 -13.248 954 HZ3 LYS 106 HZ3 LYS 106 -5.133 7.667 -11.629 955 H VAL 107 H VAL 107 -9.820 0.132 -13.639 956 HA VAL 107 HA VAL 107 -9.838 -1.314 -16.010 957 HB VAL 107 HB VAL 107 -12.297 -1.542 -15.680 958 HG11 VAL 107 HG11 VAL 107 -10.554 -2.037 -13.272 959 HG12 VAL 107 HG12 VAL 107 -10.718 -3.104 -14.666 960 HG13 VAL 107 HG13 VAL 107 -12.098 -2.821 -13.605 961 HG21 VAL 107 HG21 VAL 107 -11.681 0.257 -13.371 962 HG22 VAL 107 HG22 VAL 107 -13.188 -0.639 -13.563 963 HG23 VAL 107 HG23 VAL 107 -12.739 0.604 -14.732 964 H ASP 108 H ASP 108 -10.554 1.978 -15.412 965 HA ASP 108 HA ASP 108 -12.051 2.384 -17.837 966 HB2 ASP 108 HB3 ASP 108 -11.868 4.807 -17.217 967 HB3 ASP 108 HB2 ASP 108 -12.602 3.802 -15.975 968 H ASP 109 H ASP 109 -8.786 3.111 -16.663 969 HA ASP 109 HA ASP 109 -7.867 3.016 -19.433 970 HB2 ASP 109 HB3 ASP 109 -7.530 5.357 -17.593 971 HB3 ASP 109 HB2 ASP 109 -6.225 4.958 -18.703 972 HA PRO 110 HA PRO 110 -5.221 0.394 -16.862 973 HB2 PRO 110 HB3 PRO 110 -4.711 -1.387 -18.822 974 HB3 PRO 110 HB2 PRO 110 -6.209 -1.405 -17.890 975 HG2 PRO 110 HG3 PRO 110 -5.699 -0.291 -20.616 976 HG3 PRO 110 HG2 PRO 110 -7.067 -1.247 -20.031 977 HD2 PRO 110 HD3 PRO 110 -7.170 1.432 -20.300 978 HD3 PRO 110 HD2 PRO 110 -8.098 0.547 -19.079 979 H THR 111 H THR 111 -4.644 2.583 -19.227 980 HA THR 111 HA THR 111 -1.811 1.964 -19.517 981 HB THR 111 HB THR 111 -1.809 4.067 -20.910 982 HG1 THR 111 HG1 THR 111 -3.588 5.176 -20.192 983 HG21 THR 111 HG21 THR 111 -3.016 3.042 -22.789 984 HG22 THR 111 HG22 THR 111 -3.775 1.910 -21.668 985 HG23 THR 111 HG23 THR 111 -2.031 1.859 -21.927 986 H ASP 112 H ASP 112 -3.898 3.618 -17.457 987 HA ASP 112 HA ASP 112 -1.749 5.394 -16.489 988 HB2 ASP 112 HB3 ASP 112 -4.028 6.356 -17.269 989 HB3 ASP 112 HB2 ASP 112 -4.674 5.663 -15.789 990 H VAL 113 H VAL 113 -1.626 2.732 -15.861 991 HA VAL 113 HA VAL 113 -2.897 2.178 -13.361 992 HB VAL 113 HB VAL 113 -1.647 0.111 -13.383 993 HG11 VAL 113 HG11 VAL 113 -2.626 0.752 -16.148 994 HG12 VAL 113 HG12 VAL 113 -3.663 0.357 -14.783 995 HG13 VAL 113 HG13 VAL 113 -2.528 -0.843 -15.401 996 HG21 VAL 113 HG21 VAL 113 -0.055 -0.406 -15.162 997 HG22 VAL 113 HG22 VAL 113 0.486 0.963 -14.190 998 HG23 VAL 113 HG23 VAL 113 -0.221 1.238 -15.780 999 H GLU 114 H GLU 114 -1.346 1.178 -11.621 1000 HA GLU 114 HA GLU 114 1.220 2.443 -11.344 1001 HB2 GLU 114 HB3 GLU 114 -0.370 4.217 -10.567 1002 HB3 GLU 114 HB2 GLU 114 -0.924 3.112 -9.317 1003 HG2 GLU 114 HG3 GLU 114 0.727 4.800 -8.555 1004 HG3 GLU 114 HG2 GLU 114 1.203 3.131 -8.247 1005 H THR 115 H THR 115 2.416 1.575 -9.529 1006 HA THR 115 HA THR 115 1.192 -0.799 -8.305 1007 HB THR 115 HB THR 115 3.941 -0.831 -9.569 1008 HG1 THR 115 HG1 THR 115 1.587 -0.988 -10.758 1009 HG21 THR 115 HG21 THR 115 2.220 -3.046 -8.440 1010 HG22 THR 115 HG22 THR 115 3.669 -2.378 -7.687 1011 HG23 THR 115 HG23 THR 115 3.791 -3.256 -9.212 1012 H TYR 116 H TYR 116 1.664 -1.031 -6.232 1013 HA TYR 116 HA TYR 116 3.735 0.683 -5.016 1014 HB2 TYR 116 HB3 TYR 116 1.651 -1.027 -3.632 1015 HB3 TYR 116 HB2 TYR 116 2.720 0.135 -2.869 1016 HD1 TYR 116 HD1 TYR 116 2.150 2.167 -5.325 1017 HD2 TYR 116 HD2 TYR 116 -0.222 0.042 -2.508 1018 HE1 TYR 116 HE1 TYR 116 0.403 3.894 -5.496 1019 HE2 TYR 116 HE2 TYR 116 -1.971 1.754 -2.673 1020 HH TYR 116 HH TYR 116 -2.030 4.251 -3.295 1021 H GLU 117 H GLU 117 5.357 -0.413 -3.529 1022 HA GLU 117 HA GLU 117 5.371 -3.313 -3.837 1023 HB2 GLU 117 HB3 GLU 117 7.847 -1.584 -3.971 1024 HB3 GLU 117 HB2 GLU 117 7.773 -3.327 -4.123 1025 HG2 GLU 117 HG3 GLU 117 6.472 -3.026 -6.218 1026 HG3 GLU 117 HG2 GLU 117 6.751 -1.290 -6.080 1027 H TYR 118 H TYR 118 5.136 -4.048 -1.831 1028 HA TYR 118 HA TYR 118 5.919 -2.393 0.426 1029 HB2 TYR 118 HB3 TYR 118 4.425 -5.024 0.328 1030 HB3 TYR 118 HB2 TYR 118 4.716 -4.076 1.781 1031 HD1 TYR 118 HD1 TYR 118 3.804 -1.665 1.798 1032 HD2 TYR 118 HD2 TYR 118 2.481 -4.625 -0.943 1033 HE1 TYR 118 HE1 TYR 118 1.751 -0.391 1.408 1034 HE2 TYR 118 HE2 TYR 118 0.436 -3.364 -1.334 1035 HH TYR 118 HH TYR 118 -0.810 -1.716 -0.627 1036 H ARG 119 H ARG 119 7.998 -2.492 0.825 1037 HA ARG 119 HA ARG 119 9.292 -5.133 1.024 1038 HB2 ARG 119 HB3 ARG 119 10.362 -3.726 -0.639 1039 HB3 ARG 119 HB2 ARG 119 10.450 -2.385 0.495 1040 HG2 ARG 119 HG3 ARG 119 12.059 -3.562 1.837 1041 HG3 ARG 119 HG2 ARG 119 11.902 -5.001 0.828 1042 HD2 ARG 119 HD3 ARG 119 13.908 -3.783 0.237 1043 HD3 ARG 119 HD2 ARG 119 12.755 -3.727 -1.090 1044 HE ARG 119 HE ARG 119 12.194 -1.438 -0.280 1045 HH11 ARG 119 HH11 ARG 119 15.305 -2.860 0.465 1046 HH12 ARG 119 HH12 ARG 119 16.117 -1.333 0.588 1047 HH21 ARG 119 HH21 ARG 119 13.272 0.586 -0.122 1048 HH22 ARG 119 HH22 ARG 119 14.962 0.620 0.263 1049 H ARG 120 H ARG 120 10.411 -5.621 2.954 1050 HA ARG 120 HA ARG 120 9.649 -3.894 5.195 1051 HB2 ARG 120 HB3 ARG 120 9.069 -6.283 5.366 1052 HB3 ARG 120 HB2 ARG 120 10.764 -6.708 5.183 1053 HG2 ARG 120 HG3 ARG 120 10.412 -6.864 7.465 1054 HG3 ARG 120 HG2 ARG 120 11.140 -5.271 7.277 1055 HD2 ARG 120 HD3 ARG 120 8.877 -4.270 7.326 1056 HD3 ARG 120 HD2 ARG 120 8.204 -5.878 7.606 1057 HE ARG 120 HE ARG 120 10.215 -4.868 9.481 1058 HH11 ARG 120 HH11 ARG 120 6.882 -5.773 8.853 1059 HH12 ARG 120 HH12 ARG 120 6.426 -5.712 10.526 1060 HH21 ARG 120 HH21 ARG 120 9.616 -4.821 11.667 1061 HH22 ARG 120 HH22 ARG 120 7.978 -5.158 12.125 1062 H ASP 121 H ASP 121 11.127 -2.780 6.362 1063 HA ASP 121 HA ASP 121 13.956 -3.461 5.984 1064 HB2 ASP 121 HB3 ASP 121 13.352 -1.420 4.649 1065 HB3 ASP 121 HB2 ASP 121 12.934 -0.621 6.162 1066 H GLY 122 H GLY 122 13.855 -4.588 7.909 1067 HA2 GLY 122 HA3 GLY 122 14.312 -4.785 10.148 1068 HA3 GLY 122 HA2 GLY 122 14.480 -3.035 10.206 1069 H ASP 123 H ASP 123 13.004 -1.940 11.304 1070 HA ASP 123 HA ASP 123 10.687 -3.425 12.294 1071 HB2 ASP 123 HB3 ASP 123 11.937 -0.833 13.227 1072 HB3 ASP 123 HB2 ASP 123 10.495 -1.550 13.938 1073 H TYR 124 H TYR 124 11.260 -1.592 9.692 1074 HA TYR 124 HA TYR 124 8.630 -0.281 9.850 1075 HB2 TYR 124 HB3 TYR 124 11.073 0.631 8.325 1076 HB3 TYR 124 HB2 TYR 124 9.494 1.407 8.270 1077 HD1 TYR 124 HD1 TYR 124 12.595 1.076 10.082 1078 HD2 TYR 124 HD2 TYR 124 8.589 2.472 10.343 1079 HE1 TYR 124 HE1 TYR 124 13.216 2.463 12.016 1080 HE2 TYR 124 HE2 TYR 124 9.189 3.856 12.274 1081 HH TYR 124 HH TYR 124 10.913 3.897 14.050 1082 H LEU 125 H LEU 125 7.245 -0.455 8.170 1083 HA LEU 125 HA LEU 125 7.926 -2.314 6.021 1084 HB2 LEU 125 HB3 LEU 125 5.844 -2.636 7.367 1085 HB3 LEU 125 HB2 LEU 125 5.284 -1.068 6.841 1086 HG LEU 125 HG LEU 125 4.320 -3.197 5.738 1087 HD11 LEU 125 HD11 LEU 125 5.327 -1.004 3.940 1088 HD12 LEU 125 HD12 LEU 125 3.915 -0.878 4.990 1089 HD13 LEU 125 HD13 LEU 125 3.929 -2.049 3.675 1090 HD21 LEU 125 HD21 LEU 125 5.515 -4.028 3.810 1091 HD22 LEU 125 HD22 LEU 125 6.488 -4.251 5.265 1092 HD23 LEU 125 HD23 LEU 125 6.863 -2.940 4.146 1093 H VAL 126 H VAL 126 8.264 -1.526 3.967 1094 HA VAL 126 HA VAL 126 8.098 1.405 3.726 1095 HB VAL 126 HB VAL 126 10.254 -0.377 2.573 1096 HG11 VAL 126 HG11 VAL 126 11.338 1.694 1.890 1097 HG12 VAL 126 HG12 VAL 126 10.001 2.634 2.557 1098 HG13 VAL 126 HG13 VAL 126 9.728 1.576 1.172 1099 HG21 VAL 126 HG21 VAL 126 10.385 1.605 4.847 1100 HG22 VAL 126 HG22 VAL 126 11.753 0.726 4.163 1101 HG23 VAL 126 HG23 VAL 126 10.468 -0.151 4.995 1102 H MET 127 H MET 127 6.990 2.122 2.092 1103 HA MET 127 HA MET 127 6.173 0.263 -0.019 1104 HB2 MET 127 HB3 MET 127 4.251 1.285 0.754 1105 HB3 MET 127 HB2 MET 127 5.069 2.807 1.074 1106 HG2 MET 127 HG3 MET 127 5.152 3.299 -1.293 1107 HG3 MET 127 HG2 MET 127 4.422 1.739 -1.664 1108 HE1 MET 127 HE1 MET 127 0.819 2.065 -0.488 1109 HE2 MET 127 HE2 MET 127 2.147 1.398 0.459 1110 HE3 MET 127 HE3 MET 127 2.060 1.088 -1.274 1111 H LYS 128 H LYS 128 6.598 0.623 -2.151 1112 HA LYS 128 HA LYS 128 8.254 2.964 -2.793 1113 HB2 LYS 128 HB3 LYS 128 9.586 0.937 -2.997 1114 HB3 LYS 128 HB2 LYS 128 8.347 0.191 -3.991 1115 HG2 LYS 128 HG3 LYS 128 10.071 0.887 -5.447 1116 HG3 LYS 128 HG2 LYS 128 8.725 2.002 -5.676 1117 HD2 LYS 128 HD3 LYS 128 10.687 3.326 -5.606 1118 HD3 LYS 128 HD2 LYS 128 9.888 3.545 -4.049 1119 HE2 LYS 128 HE3 LYS 128 12.311 3.257 -3.810 1120 HE3 LYS 128 HE2 LYS 128 11.413 1.962 -3.017 1121 HZ1 LYS 128 HZ1 LYS 128 13.325 1.146 -4.288 1122 HZ2 LYS 128 HZ2 LYS 128 12.656 1.768 -5.707 1123 HZ3 LYS 128 HZ3 LYS 128 11.869 0.520 -4.879 1124 H MET 129 H MET 129 7.342 4.311 -4.140 1125 HA MET 129 HA MET 129 5.451 3.301 -6.165 1126 HB2 MET 129 HB3 MET 129 5.292 6.000 -4.793 1127 HB3 MET 129 HB2 MET 129 4.158 5.352 -5.967 1128 HG2 MET 129 HG3 MET 129 3.283 3.810 -4.445 1129 HG3 MET 129 HG2 MET 129 4.646 3.996 -3.342 1130 HE1 MET 129 HE1 MET 129 1.286 7.109 -3.932 1131 HE2 MET 129 HE2 MET 129 1.349 5.540 -4.735 1132 HE3 MET 129 HE3 MET 129 2.502 6.800 -5.174 1133 H SER 130 H SER 130 5.910 4.038 -8.245 1134 HA SER 130 HA SER 130 7.838 6.193 -8.531 1135 HB2 SER 130 HB3 SER 130 9.139 4.645 -10.162 1136 HB3 SER 130 HB2 SER 130 9.421 4.505 -8.430 1137 HG SER 130 HG SER 130 7.374 2.936 -9.427 1138 H TRP 131 H TRP 131 7.239 7.474 -10.048 1139 HA TRP 131 HA TRP 131 6.002 6.423 -12.484 1140 HB2 TRP 131 HB3 TRP 131 4.208 7.176 -10.865 1141 HB3 TRP 131 HB2 TRP 131 4.870 8.802 -10.995 1142 HD1 TRP 131 HD1 TRP 131 4.033 10.246 -12.962 1143 HE1 TRP 131 HE1 TRP 131 2.499 9.843 -14.985 1144 HE3 TRP 131 HE3 TRP 131 3.532 5.178 -12.579 1145 HZ2 TRP 131 HZ2 TRP 131 1.251 7.649 -16.264 1146 HZ3 TRP 131 HZ3 TRP 131 2.161 4.002 -14.246 1147 HH2 TRP 131 HH2 TRP 131 1.038 5.212 -16.046 1148 H LYS 132 H LYS 132 6.710 7.382 -14.265 1149 HA LYS 132 HA LYS 132 8.057 8.569 -15.620 1150 HB2 LYS 132 HB3 LYS 132 7.499 10.839 -13.709 1151 HB3 LYS 132 HB2 LYS 132 8.127 10.999 -15.340 1152 HG2 LYS 132 HG3 LYS 132 5.417 9.914 -14.611 1153 HG3 LYS 132 HG2 LYS 132 5.749 11.541 -15.204 1154 HD2 LYS 132 HD3 LYS 132 6.602 10.600 -17.296 1155 HD3 LYS 132 HD2 LYS 132 6.274 8.972 -16.698 1156 HE2 LYS 132 HE3 LYS 132 3.887 9.542 -16.522 1157 HE3 LYS 132 HE2 LYS 132 4.235 11.143 -17.174 1158 HZ1 LYS 132 HZ1 LYS 132 5.071 10.042 -19.194 1159 HZ2 LYS 132 HZ2 LYS 132 3.435 9.731 -18.913 1160 HZ3 LYS 132 HZ3 LYS 132 4.591 8.547 -18.567 1161 H GLY 133 H GLY 133 9.306 7.084 -13.545 1162 HA2 GLY 133 HA3 GLY 133 11.487 6.730 -12.889 1163 HA3 GLY 133 HA2 GLY 133 11.923 8.231 -13.685 1164 H VAL 134 H VAL 134 9.432 8.860 -11.569 1165 HA VAL 134 HA VAL 134 11.335 9.784 -9.529 1166 HB VAL 134 HB VAL 134 8.443 10.596 -9.895 1167 HG11 VAL 134 HG11 VAL 134 9.236 10.791 -7.585 1168 HG12 VAL 134 HG12 VAL 134 8.958 12.376 -8.305 1169 HG13 VAL 134 HG13 VAL 134 10.601 11.761 -8.135 1170 HG21 VAL 134 HG21 VAL 134 9.352 12.724 -10.725 1171 HG22 VAL 134 HG22 VAL 134 9.793 11.367 -11.761 1172 HG23 VAL 134 HG23 VAL 134 10.979 12.047 -10.647 1173 H SER 135 H SER 135 11.618 8.277 -8.009 1174 HA SER 135 HA SER 135 9.393 6.626 -7.171 1175 HB2 SER 135 HB3 SER 135 12.262 6.504 -6.271 1176 HB3 SER 135 HB2 SER 135 11.041 5.263 -6.149 1177 HG SER 135 HG SER 135 12.292 6.219 -8.493 1178 H THR 136 H THR 136 8.791 6.435 -5.040 1179 HA THR 136 HA THR 136 9.904 8.325 -3.100 1180 HB THR 136 HB THR 136 7.892 9.431 -3.784 1181 HG1 THR 136 HG1 THR 136 8.231 9.285 -1.487 1182 HG21 THR 136 HG21 THR 136 6.816 7.499 -4.874 1183 HG22 THR 136 HG22 THR 136 5.710 8.375 -3.820 1184 HG23 THR 136 HG23 THR 136 6.413 6.848 -3.286 1185 H SER 137 H SER 137 10.199 7.485 -1.105 1186 HA SER 137 HA SER 137 9.271 4.729 -0.688 1187 HB2 SER 137 HB3 SER 137 11.573 6.180 0.642 1188 HB3 SER 137 HB2 SER 137 11.126 4.499 0.895 1189 HG SER 137 HG SER 137 11.860 5.596 -1.620 1190 H ARG 138 H ARG 138 7.586 4.576 0.576 1191 HA ARG 138 HA ARG 138 7.037 6.693 2.535 1192 HB2 ARG 138 HB3 ARG 138 5.149 4.442 1.971 1193 HB3 ARG 138 HB2 ARG 138 4.796 6.102 2.415 1194 HG2 ARG 138 HG3 ARG 138 5.957 5.378 -0.254 1195 HG3 ARG 138 HG2 ARG 138 4.224 5.383 0.053 1196 HD2 ARG 138 HD3 ARG 138 6.081 7.738 0.387 1197 HD3 ARG 138 HD2 ARG 138 4.986 7.480 -0.969 1198 HE ARG 138 HE ARG 138 4.333 8.735 1.426 1199 HH11 ARG 138 HH11 ARG 138 3.001 6.240 -0.675 1200 HH12 ARG 138 HH12 ARG 138 1.374 6.439 -0.100 1201 HH21 ARG 138 HH21 ARG 138 2.168 9.056 2.096 1202 HH22 ARG 138 HH22 ARG 138 0.902 8.081 1.424 1203 H TYR 139 H TYR 139 7.740 6.308 4.542 1204 HA TYR 139 HA TYR 139 8.371 3.558 5.285 1205 HB2 TYR 139 HB3 TYR 139 9.125 6.195 6.550 1206 HB3 TYR 139 HB2 TYR 139 9.604 4.620 7.178 1207 HD1 TYR 139 HD1 TYR 139 10.038 7.013 4.420 1208 HD2 TYR 139 HD2 TYR 139 11.333 3.337 6.120 1209 HE1 TYR 139 HE1 TYR 139 12.003 7.030 2.947 1210 HE2 TYR 139 HE2 TYR 139 13.300 3.343 4.649 1211 HH TYR 139 HH TYR 139 14.241 6.088 2.848 1212 H TYR 140 H TYR 140 6.874 2.450 6.272 1213 HA TYR 140 HA TYR 140 5.061 3.827 8.129 1214 HB2 TYR 140 HB3 TYR 140 4.785 1.068 6.918 1215 HB3 TYR 140 HB2 TYR 140 3.590 1.895 7.908 1216 HD1 TYR 140 HD1 TYR 140 2.547 4.028 6.975 1217 HD2 TYR 140 HD2 TYR 140 4.786 1.306 4.596 1218 HE1 TYR 140 HE1 TYR 140 1.494 4.938 4.953 1219 HE2 TYR 140 HE2 TYR 140 3.741 2.215 2.565 1220 HH TYR 140 HH TYR 140 2.082 5.081 2.454 1221 H LYS 141 H LYS 141 5.242 3.437 10.248 1222 HA LYS 141 HA LYS 141 6.941 1.212 11.115 1223 HB2 LYS 141 HB3 LYS 141 7.112 2.250 13.214 1224 HB3 LYS 141 HB2 LYS 141 7.292 3.541 12.041 1225 HG2 LYS 141 HG3 LYS 141 5.360 4.541 12.625 1226 HG3 LYS 141 HG2 LYS 141 4.565 3.015 13.030 1227 HD2 LYS 141 HD3 LYS 141 6.765 4.240 14.644 1228 HD3 LYS 141 HD2 LYS 141 5.053 4.487 14.985 1229 HE2 LYS 141 HE3 LYS 141 4.814 2.023 15.202 1230 HE3 LYS 141 HE2 LYS 141 6.559 1.880 15.003 1231 HZ1 LYS 141 HZ1 LYS 141 6.888 3.143 17.006 1232 HZ2 LYS 141 HZ2 LYS 141 5.863 1.843 17.341 1233 HZ3 LYS 141 HZ3 LYS 141 5.228 3.397 17.177 1234 H LYS 142 H LYS 142 5.999 -0.179 12.854 1235 HA LYS 142 HA LYS 142 3.439 -1.085 12.463 1236 HB2 LYS 142 HB3 LYS 142 5.318 -2.058 13.896 1237 HB3 LYS 142 HB2 LYS 142 4.748 -1.005 15.180 1238 HG2 LYS 142 HG3 LYS 142 3.829 -3.157 15.553 1239 HG3 LYS 142 HG2 LYS 142 2.519 -2.117 14.992 1240 HD2 LYS 142 HD3 LYS 142 2.692 -3.046 12.763 1241 HD3 LYS 142 HD2 LYS 142 4.082 -4.019 13.248 1242 HE2 LYS 142 HE3 LYS 142 1.289 -4.253 14.362 1243 HE3 LYS 142 HE2 LYS 142 2.016 -5.338 13.182 1244 HZ1 LYS 142 HZ1 LYS 142 2.902 -4.925 15.985 1245 HZ2 LYS 142 HZ2 LYS 142 3.724 -5.878 14.854 1246 HZ3 LYS 142 HZ3 LYS 142 2.167 -6.308 15.347 1247 H GLN 143 H GLN 143 1.404 -0.785 13.829 1248 HA GLN 143 HA GLN 143 1.114 1.733 15.122 1249 HB2 GLN 143 HB3 GLN 143 -0.493 -0.816 15.137 1250 HB3 GLN 143 HB2 GLN 143 -0.933 0.542 16.160 1251 HG2 GLN 143 HG3 GLN 143 -0.597 0.784 13.194 1252 HG3 GLN 143 HG2 GLN 143 -2.121 0.323 13.945 1253 HE21 GLN 143 HE21 GLN 143 -1.537 2.625 12.360 1254 HE22 GLN 143 HE22 GLN 143 -1.884 4.011 13.336 1255 H21 OLA1001 H21 OLA1001 -0.844 5.638 -2.685 1256 H22 OLA1001 H22 OLA1001 0.277 6.682 -1.811 1257 H31 OLA1001 H31 OLA1001 -2.707 6.622 -1.425 1258 H32 OLA1001 H32 OLA1001 -1.824 7.824 -2.366 1259 H41 OLA1001 H41 OLA1001 -1.000 8.870 -0.518 1260 H42 OLA1001 H42 OLA1001 -0.957 7.385 0.435 1261 H51 OLA1001 H51 OLA1001 -2.653 8.963 1.257 1262 H52 OLA1001 H52 OLA1001 -3.363 7.448 0.695 1263 H61 OLA1001 H61 OLA1001 -3.778 8.595 -1.508 1264 H62 OLA1001 H62 OLA1001 -3.335 10.104 -0.708 1265 H71 OLA1001 H71 OLA1001 -5.130 9.803 0.902 1266 H72 OLA1001 H72 OLA1001 -5.557 8.261 0.156 1267 H81 OLA1001 H81 OLA1001 -7.052 9.981 -0.616 1268 H82 OLA1001 H82 OLA1001 -6.040 9.419 -1.939 1269 H9 OLA1001 H9 OLA1001 -4.817 11.728 -0.717 1270 H10 OLA1001 H10 OLA1001 -5.835 13.163 -2.303 1271 H111 OLA1001 H111 OLA1001 -7.719 12.693 -3.524 1272 H112 OLA1001 H112 OLA1001 -8.147 11.380 -2.443 1273 H121 OLA1001 H121 OLA1001 -7.830 10.789 -4.874 1274 H122 OLA1001 H122 OLA1001 -6.944 9.804 -3.710 1275 H131 OLA1001 H131 OLA1001 -4.954 11.257 -4.103 1276 H132 OLA1001 H132 OLA1001 -5.858 12.062 -5.387 1277 H141 OLA1001 H141 OLA1001 -4.491 10.438 -6.440 1278 H142 OLA1001 H142 OLA1001 -6.141 9.819 -6.477 1279 H151 OLA1001 H151 OLA1001 -4.646 8.028 -5.883 1280 H152 OLA1001 H152 OLA1001 -5.629 8.444 -4.482 1281 H161 OLA1001 H161 OLA1001 -3.348 8.089 -3.787 1282 H162 OLA1001 H162 OLA1001 -3.759 9.793 -3.602 1283 H171 OLA1001 H171 OLA1001 -2.633 10.300 -5.707 1284 H172 OLA1001 H172 OLA1001 -2.229 8.598 -5.905 1285 H181 OLA1001 H181 OLA1001 -0.692 8.639 -4.150 1286 H182 OLA1001 H182 OLA1001 -1.343 10.154 -3.510 1287 H183 OLA1001 H183 OLA1001 -0.421 10.157 -5.022 Start of MODEL 17 1 H1 MET -11 H1 MET -11 -5.102 -20.327 -16.897 2 H2 MET -11 H2 MET -11 -4.136 -20.625 -18.250 3 H3 MET -11 H3 MET -11 -4.767 -19.081 -17.986 4 HA MET -11 HA MET -11 -2.799 -20.467 -16.264 5 HB2 MET -11 HB3 MET -11 -1.853 -19.742 -18.418 6 HB3 MET -11 HB2 MET -11 -2.453 -18.115 -18.134 7 HG2 MET -11 HG3 MET -11 -1.010 -17.918 -16.178 8 HG3 MET -11 HG2 MET -11 -0.411 -19.550 -16.455 9 HE1 MET -11 HE1 MET -11 -0.527 -15.864 -17.769 10 HE2 MET -11 HE2 MET -11 -1.225 -16.753 -19.122 11 HE3 MET -11 HE3 MET -11 0.355 -15.992 -19.291 12 H ARG -10 H ARG -10 -4.734 -17.564 -16.886 13 HA ARG -10 HA ARG -10 -3.850 -16.387 -14.373 14 HB2 ARG -10 HB3 ARG -10 -5.745 -15.348 -16.484 15 HB3 ARG -10 HB2 ARG -10 -5.224 -14.452 -15.068 16 HG2 ARG -10 HG3 ARG -10 -3.446 -15.419 -17.293 17 HG3 ARG -10 HG2 ARG -10 -4.013 -13.765 -17.056 18 HD2 ARG -10 HD3 ARG -10 -2.879 -13.769 -14.839 19 HD3 ARG -10 HD2 ARG -10 -2.205 -15.348 -15.236 20 HE ARG -10 HE ARG -10 -1.664 -13.366 -17.233 21 HH11 ARG -10 HH11 ARG -10 -0.597 -14.674 -14.166 22 HH12 ARG -10 HH12 ARG -10 1.032 -14.109 -14.345 23 HH21 ARG -10 HH21 ARG -10 0.478 -12.628 -17.479 24 HH22 ARG -10 HH22 ARG -10 1.645 -12.948 -16.239 25 H GLY -9 H GLY -9 -4.877 -18.260 -13.211 26 HA2 GLY -9 HA3 GLY -9 -6.709 -17.794 -11.485 27 HA3 GLY -9 HA2 GLY -9 -7.772 -17.826 -12.882 28 H SER -8 H SER -8 -6.662 -19.593 -10.367 29 HA SER -8 HA SER -8 -7.865 -21.986 -11.388 30 HB2 SER -8 HB3 SER -8 -5.580 -22.245 -12.291 31 HB3 SER -8 HB2 SER -8 -4.920 -22.043 -10.670 32 HG SER -8 HG SER -8 -5.358 -24.283 -11.616 33 H HIS -7 H HIS -7 -8.684 -23.191 -9.759 34 HA HIS -7 HA HIS -7 -8.421 -22.154 -7.064 35 HB2 HIS -7 HB3 HIS -7 -10.614 -22.898 -8.171 36 HB3 HIS -7 HB2 HIS -7 -10.048 -24.545 -7.934 37 HD1 HIS -7 HD1 HIS -7 -11.527 -21.648 -6.154 38 HD2 HIS -7 HD2 HIS -7 -10.004 -25.403 -5.222 39 HE1 HIS -7 HE1 HIS -7 -12.278 -22.117 -3.804 40 HE2 HIS -7 HE2 HIS -7 -11.228 -24.327 -3.211 41 H HIS -6 H HIS -6 -6.771 -24.274 -8.961 42 HA HIS -6 HA HIS -6 -6.173 -26.208 -6.862 43 HB2 HIS -6 HB3 HIS -6 -5.290 -26.058 -9.753 44 HB3 HIS -6 HB2 HIS -6 -4.802 -27.324 -8.631 45 HD1 HIS -6 HD1 HIS -6 -6.412 -29.228 -8.260 46 HD2 HIS -6 HD2 HIS -6 -8.075 -26.113 -10.442 47 HE1 HIS -6 HE1 HIS -6 -8.616 -30.094 -9.093 48 HE2 HIS -6 HE2 HIS -6 -9.662 -28.148 -10.301 49 H HIS -5 H HIS -5 -4.591 -25.856 -5.503 50 HA HIS -5 HA HIS -5 -2.173 -24.496 -6.366 51 HB2 HIS -5 HB3 HIS -5 -2.227 -22.951 -4.397 52 HB3 HIS -5 HB2 HIS -5 -3.448 -22.610 -5.611 53 HD1 HIS -5 HD1 HIS -5 -3.256 -22.220 -2.264 54 HD2 HIS -5 HD2 HIS -5 -5.903 -24.432 -4.586 55 HE1 HIS -5 HE1 HIS -5 -5.296 -22.555 -0.836 56 HE2 HIS -5 HE2 HIS -5 -6.944 -23.730 -2.330 57 H HIS -4 H HIS -4 -1.396 -26.648 -6.109 58 HA HIS -4 HA HIS -4 -1.049 -27.498 -3.314 59 HB2 HIS -4 HB3 HIS -4 -0.821 -29.008 -5.918 60 HB3 HIS -4 HB2 HIS -4 -0.226 -29.658 -4.396 61 HD1 HIS -4 HD1 HIS -4 -1.846 -31.077 -3.192 62 HD2 HIS -4 HD2 HIS -4 -3.739 -28.340 -5.682 63 HE1 HIS -4 HE1 HIS -4 -4.301 -31.583 -3.011 64 HE2 HIS -4 HE2 HIS -4 -5.434 -29.836 -4.426 65 H HIS -3 H HIS -3 1.222 -28.999 -3.506 66 HA HIS -3 HA HIS -3 3.488 -28.929 -3.463 67 HB2 HIS -3 HB3 HIS -3 3.208 -26.754 -5.551 68 HB3 HIS -3 HB2 HIS -3 4.725 -27.505 -5.079 69 HD1 HIS -3 HD1 HIS -3 5.260 -29.807 -6.072 70 HD2 HIS -3 HD2 HIS -3 1.493 -28.384 -7.099 71 HE1 HIS -3 HE1 HIS -3 4.425 -31.341 -7.880 72 HE2 HIS -3 HE2 HIS -3 2.082 -30.560 -8.362 73 H HIS -2 H HIS -2 2.747 -25.490 -4.023 74 HA HIS -2 HA HIS -2 4.162 -24.794 -1.567 75 HB2 HIS -2 HB3 HIS -2 2.976 -23.131 -3.791 76 HB3 HIS -2 HB2 HIS -2 3.607 -22.420 -2.314 77 HD1 HIS -2 HD1 HIS -2 6.102 -22.115 -2.142 78 HD2 HIS -2 HD2 HIS -2 4.968 -24.336 -5.463 79 HE1 HIS -2 HE1 HIS -2 8.162 -22.291 -3.572 80 HE2 HIS -2 HE2 HIS -2 7.392 -23.464 -5.662 81 H GLY -1 H GLY -1 0.939 -24.818 -2.951 82 HA2 GLY -1 HA3 GLY -1 -1.129 -24.489 -2.011 83 HA3 GLY -1 HA2 GLY -1 -0.370 -24.710 -0.437 84 H SER 0 H SER 0 -0.328 -22.403 -3.080 85 HA SER 0 HA SER 0 -0.541 -20.169 -3.199 86 HB2 SER 0 HB3 SER 0 -1.305 -20.135 -0.276 87 HB3 SER 0 HB2 SER 0 -1.639 -18.895 -1.482 88 HG SER 0 HG SER 0 -3.246 -20.760 -0.787 89 H LYS 1 H LYS 1 0.809 -18.348 -2.835 90 HA LYS 1 HA LYS 1 3.238 -18.900 -1.363 91 HB2 LYS 1 HB3 LYS 1 2.351 -16.365 -2.766 92 HB3 LYS 1 HB2 LYS 1 3.961 -16.682 -2.137 93 HG2 LYS 1 HG3 LYS 1 4.224 -18.514 -3.734 94 HG3 LYS 1 HG2 LYS 1 2.610 -18.184 -4.365 95 HD2 LYS 1 HD3 LYS 1 4.333 -17.189 -5.784 96 HD3 LYS 1 HD2 LYS 1 3.319 -15.949 -5.044 97 HE2 LYS 1 HE3 LYS 1 5.691 -15.336 -4.994 98 HE3 LYS 1 HE2 LYS 1 5.032 -15.520 -3.369 99 HZ1 LYS 1 HZ1 LYS 1 6.691 -17.507 -4.825 100 HZ2 LYS 1 HZ2 LYS 1 6.013 -17.749 -3.298 101 HZ3 LYS 1 HZ3 LYS 1 7.185 -16.554 -3.521 102 H THR 2 H THR 2 2.778 -18.958 0.807 103 HA THR 2 HA THR 2 0.724 -17.468 2.012 104 HB THR 2 HB THR 2 3.110 -18.484 3.530 105 HG1 THR 2 HG1 THR 2 1.486 -20.433 3.576 106 HG21 THR 2 HG21 THR 2 1.399 -18.962 5.240 107 HG22 THR 2 HG22 THR 2 0.164 -18.299 4.169 108 HG23 THR 2 HG23 THR 2 1.437 -17.255 4.801 109 H LEU 3 H LEU 3 0.652 -15.499 2.832 110 HA LEU 3 HA LEU 3 2.513 -13.558 2.102 111 HB2 LEU 3 HB3 LEU 3 -0.024 -13.613 3.323 112 HB3 LEU 3 HB2 LEU 3 1.019 -12.706 4.398 113 HG LEU 3 HG LEU 3 0.168 -12.052 1.602 114 HD11 LEU 3 HD11 LEU 3 -0.333 -9.914 2.590 115 HD12 LEU 3 HD12 LEU 3 0.411 -10.413 4.108 116 HD13 LEU 3 HD13 LEU 3 -1.069 -11.198 3.552 117 HD21 LEU 3 HD21 LEU 3 2.512 -11.806 1.386 118 HD22 LEU 3 HD22 LEU 3 2.650 -11.084 2.989 119 HD23 LEU 3 HD23 LEU 3 1.865 -10.194 1.685 120 HA PRO 4 HA PRO 4 5.726 -14.141 5.201 121 HB2 PRO 4 HB3 PRO 4 6.258 -11.375 4.225 122 HB3 PRO 4 HB2 PRO 4 7.381 -12.720 4.458 123 HG2 PRO 4 HG3 PRO 4 6.576 -12.041 2.017 124 HG3 PRO 4 HG2 PRO 4 6.774 -13.746 2.468 125 HD2 PRO 4 HD3 PRO 4 4.273 -12.150 2.141 126 HD3 PRO 4 HD2 PRO 4 4.579 -13.861 1.785 127 H ASP 5 H ASP 5 5.204 -13.914 7.244 128 HA ASP 5 HA ASP 5 3.319 -12.267 8.365 129 HB2 ASP 5 HB3 ASP 5 4.190 -14.198 9.529 130 HB3 ASP 5 HB2 ASP 5 5.782 -13.459 9.643 131 H LYS 6 H LYS 6 6.640 -11.516 7.634 132 HA LYS 6 HA LYS 6 7.031 -9.251 9.184 133 HB2 LYS 6 HB3 LYS 6 8.011 -9.897 6.408 134 HB3 LYS 6 HB2 LYS 6 8.561 -8.506 7.327 135 HG2 LYS 6 HG3 LYS 6 8.873 -11.383 8.148 136 HG3 LYS 6 HG2 LYS 6 10.135 -10.359 7.462 137 HD2 LYS 6 HD3 LYS 6 9.695 -8.791 9.423 138 HD3 LYS 6 HD2 LYS 6 8.775 -10.119 10.133 139 HE2 LYS 6 HE3 LYS 6 11.680 -10.192 9.324 140 HE3 LYS 6 HE2 LYS 6 11.063 -10.098 10.971 141 HZ1 LYS 6 HZ1 LYS 6 11.709 -12.346 10.377 142 HZ2 LYS 6 HZ2 LYS 6 10.612 -12.348 9.092 143 HZ3 LYS 6 HZ3 LYS 6 10.050 -12.261 10.682 144 H PHE 7 H PHE 7 5.025 -9.617 6.290 145 HA PHE 7 HA PHE 7 4.871 -6.745 5.909 146 HB2 PHE 7 HB3 PHE 7 3.430 -9.028 4.541 147 HB3 PHE 7 HB2 PHE 7 3.232 -7.334 4.113 148 HD1 PHE 7 HD1 PHE 7 6.035 -6.400 4.250 149 HD2 PHE 7 HD2 PHE 7 4.376 -9.978 2.651 150 HE1 PHE 7 HE1 PHE 7 7.924 -6.575 2.686 151 HE2 PHE 7 HE2 PHE 7 6.267 -10.158 1.091 152 HZ PHE 7 HZ PHE 7 8.041 -8.459 1.107 153 H LEU 8 H LEU 8 3.487 -8.855 8.058 154 HA LEU 8 HA LEU 8 0.762 -7.863 7.743 155 HB2 LEU 8 HB3 LEU 8 1.879 -10.074 9.461 156 HB3 LEU 8 HB2 LEU 8 0.182 -9.644 9.356 157 HG LEU 8 HG LEU 8 1.855 -10.656 7.056 158 HD11 LEU 8 HD11 LEU 8 -0.298 -12.080 8.602 159 HD12 LEU 8 HD12 LEU 8 1.430 -12.339 8.825 160 HD13 LEU 8 HD13 LEU 8 0.674 -12.727 7.279 161 HD21 LEU 8 HD21 LEU 8 0.088 -9.215 6.287 162 HD22 LEU 8 HD22 LEU 8 -1.085 -10.054 7.300 163 HD23 LEU 8 HD23 LEU 8 -0.337 -10.891 5.941 164 H GLY 9 H GLY 9 -0.197 -6.570 9.129 165 HA2 GLY 9 HA3 GLY 9 -0.078 -6.104 11.730 166 HA3 GLY 9 HA2 GLY 9 1.435 -5.360 11.229 167 H THR 10 H THR 10 -0.235 -3.724 12.434 168 HA THR 10 HA THR 10 -1.538 -2.192 10.292 169 HB THR 10 HB THR 10 -1.971 -1.789 13.251 170 HG1 THR 10 HG1 THR 10 -2.609 -3.898 12.920 171 HG21 THR 10 HG21 THR 10 -3.675 -1.201 10.831 172 HG22 THR 10 HG22 THR 10 -2.713 -0.021 11.717 173 HG23 THR 10 HG23 THR 10 -4.076 -0.812 12.504 174 H PHE 11 H PHE 11 -0.390 -0.467 9.630 175 HA PHE 11 HA PHE 11 1.771 0.461 11.406 176 HB2 PHE 11 HB3 PHE 11 1.753 0.410 8.385 177 HB3 PHE 11 HB2 PHE 11 3.102 0.868 9.415 178 HD1 PHE 11 HD1 PHE 11 3.987 -0.938 11.030 179 HD2 PHE 11 HD2 PHE 11 1.545 -1.776 7.646 180 HE1 PHE 11 HE1 PHE 11 4.773 -3.266 11.041 181 HE2 PHE 11 HE2 PHE 11 2.323 -4.106 7.656 182 HZ PHE 11 HZ PHE 11 3.942 -4.855 9.354 183 H LYS 12 H LYS 12 1.806 2.546 11.998 184 HA LYS 12 HA LYS 12 0.254 4.567 10.631 185 HB2 LYS 12 HB3 LYS 12 2.021 4.417 13.018 186 HB3 LYS 12 HB2 LYS 12 1.855 5.984 12.247 187 HG2 LYS 12 HG3 LYS 12 -0.475 4.318 13.144 188 HG3 LYS 12 HG2 LYS 12 0.303 5.545 14.149 189 HD2 LYS 12 HD3 LYS 12 -0.192 7.247 12.472 190 HD3 LYS 12 HD2 LYS 12 -0.945 6.024 11.446 191 HE2 LYS 12 HE3 LYS 12 -2.604 7.311 12.683 192 HE3 LYS 12 HE2 LYS 12 -2.624 5.609 13.137 193 HZ1 LYS 12 HZ1 LYS 12 -1.373 6.142 15.117 194 HZ2 LYS 12 HZ2 LYS 12 -2.785 7.068 15.062 195 HZ3 LYS 12 HZ3 LYS 12 -1.299 7.774 14.677 196 H LEU 13 H LEU 13 0.943 5.666 8.880 197 HA LEU 13 HA LEU 13 3.441 5.605 7.700 198 HB2 LEU 13 HB3 LEU 13 1.227 6.614 6.865 199 HB3 LEU 13 HB2 LEU 13 1.693 8.062 7.729 200 HG LEU 13 HG LEU 13 3.360 6.831 5.528 201 HD11 LEU 13 HD11 LEU 13 1.309 9.030 5.414 202 HD12 LEU 13 HD12 LEU 13 1.260 7.478 4.579 203 HD13 LEU 13 HD13 LEU 13 2.474 8.677 4.139 204 HD21 LEU 13 HD21 LEU 13 3.419 9.575 6.784 205 HD22 LEU 13 HD22 LEU 13 4.436 9.016 5.455 206 HD23 LEU 13 HD23 LEU 13 4.599 8.291 7.055 207 H GLU 14 H GLU 14 5.395 6.271 8.388 208 HA GLU 14 HA GLU 14 5.543 8.150 10.604 209 HB2 GLU 14 HB3 GLU 14 6.824 6.013 10.637 210 HB3 GLU 14 HB2 GLU 14 7.738 6.572 9.246 211 HG2 GLU 14 HG3 GLU 14 9.050 6.908 11.204 212 HG3 GLU 14 HG2 GLU 14 8.534 8.482 10.605 213 H ARG 15 H ARG 15 7.010 7.755 7.351 214 HA ARG 15 HA ARG 15 7.054 10.617 6.966 215 HB2 ARG 15 HB3 ARG 15 9.483 10.789 6.751 216 HB3 ARG 15 HB2 ARG 15 9.037 10.273 8.374 217 HG2 ARG 15 HG3 ARG 15 9.513 7.946 7.741 218 HG3 ARG 15 HG2 ARG 15 10.021 8.510 6.144 219 HD2 ARG 15 HD3 ARG 15 11.914 8.112 7.662 220 HD3 ARG 15 HD2 ARG 15 11.811 9.791 7.137 221 HE ARG 15 HE ARG 15 10.518 9.943 9.441 222 HH11 ARG 15 HH11 ARG 15 13.465 8.207 8.701 223 HH12 ARG 15 HH12 ARG 15 14.148 8.436 10.277 224 HH21 ARG 15 HH21 ARG 15 11.404 10.251 11.513 225 HH22 ARG 15 HH22 ARG 15 12.977 9.609 11.878 226 H ASP 16 H ASP 16 8.471 11.082 4.913 227 HA ASP 16 HA ASP 16 8.442 8.891 2.990 228 HB2 ASP 16 HB3 ASP 16 7.160 10.075 1.352 229 HB3 ASP 16 HB2 ASP 16 6.229 10.056 2.843 230 H GLU 17 H GLU 17 9.687 9.356 1.085 231 HA GLU 17 HA GLU 17 11.928 11.089 1.761 232 HB2 GLU 17 HB3 GLU 17 11.609 8.792 -0.161 233 HB3 GLU 17 HB2 GLU 17 13.050 9.803 -0.133 234 HG2 GLU 17 HG3 GLU 17 11.985 8.216 2.193 235 HG3 GLU 17 HG2 GLU 17 13.321 7.733 1.148 236 H ASN 18 H ASN 18 9.887 10.424 -1.111 237 HA ASN 18 HA ASN 18 10.319 13.176 -1.977 238 HB2 ASN 18 HB3 ASN 18 12.164 11.794 -2.973 239 HB3 ASN 18 HB2 ASN 18 10.938 10.854 -3.817 240 HD21 ASN 18 HD21 ASN 18 11.780 11.462 -5.816 241 HD22 ASN 18 HD22 ASN 18 11.542 13.049 -6.460 242 H PHE 19 H PHE 19 8.039 12.506 -1.032 243 HA PHE 19 HA PHE 19 6.356 11.045 -2.861 244 HB2 PHE 19 HB3 PHE 19 6.127 11.016 -0.332 245 HB3 PHE 19 HB2 PHE 19 5.413 12.618 -0.470 246 HD1 PHE 19 HD1 PHE 19 5.020 9.476 -2.449 247 HD2 PHE 19 HD2 PHE 19 3.170 12.506 -0.104 248 HE1 PHE 19 HE1 PHE 19 2.818 8.473 -2.883 249 HE2 PHE 19 HE2 PHE 19 0.972 11.504 -0.532 250 HZ PHE 19 HZ PHE 19 0.820 9.437 -1.955 251 H ASP 20 H ASP 20 6.819 14.426 -1.959 252 HA ASP 20 HA ASP 20 4.677 15.559 -3.284 253 HB2 ASP 20 HB3 ASP 20 6.213 16.783 -1.787 254 HB3 ASP 20 HB2 ASP 20 7.467 16.694 -3.021 255 H GLU 21 H GLU 21 7.995 15.215 -4.591 256 HA GLU 21 HA GLU 21 7.360 15.981 -7.196 257 HB2 GLU 21 HB3 GLU 21 9.548 14.175 -6.183 258 HB3 GLU 21 HB2 GLU 21 9.404 14.646 -7.873 259 HG2 GLU 21 HG3 GLU 21 9.465 17.032 -7.076 260 HG3 GLU 21 HG2 GLU 21 9.938 16.396 -5.503 261 H TYR 22 H TYR 22 7.207 12.783 -5.677 262 HA TYR 22 HA TYR 22 6.591 11.271 -7.932 263 HB2 TYR 22 HB3 TYR 22 6.962 10.267 -5.721 264 HB3 TYR 22 HB2 TYR 22 5.464 10.978 -5.137 265 HD1 TYR 22 HD1 TYR 22 3.351 9.991 -5.642 266 HD2 TYR 22 HD2 TYR 22 6.903 8.419 -7.375 267 HE1 TYR 22 HE1 TYR 22 2.111 8.000 -6.366 268 HE2 TYR 22 HE2 TYR 22 5.668 6.420 -8.104 269 HH TYR 22 HH TYR 22 3.661 5.183 -7.571 270 H LEU 23 H LEU 23 4.520 13.301 -5.920 271 HA LEU 23 HA LEU 23 2.080 12.569 -7.169 272 HB2 LEU 23 HB3 LEU 23 2.835 15.026 -5.586 273 HB3 LEU 23 HB2 LEU 23 1.199 14.633 -6.081 274 HG LEU 23 HG LEU 23 2.920 12.962 -4.247 275 HD11 LEU 23 HD11 LEU 23 0.527 14.691 -3.656 276 HD12 LEU 23 HD12 LEU 23 2.193 15.032 -3.193 277 HD13 LEU 23 HD13 LEU 23 1.353 13.643 -2.506 278 HD21 LEU 23 HD21 LEU 23 0.042 12.636 -5.087 279 HD22 LEU 23 HD22 LEU 23 0.888 11.659 -3.888 280 HD23 LEU 23 HD23 LEU 23 1.390 11.608 -5.575 281 H LYS 24 H LYS 24 4.437 15.141 -7.744 282 HA LYS 24 HA LYS 24 2.943 16.566 -9.672 283 HB2 LYS 24 HB3 LYS 24 5.922 16.310 -9.248 284 HB3 LYS 24 HB2 LYS 24 5.212 17.364 -10.456 285 HG2 LYS 24 HG3 LYS 24 3.916 18.396 -8.484 286 HG3 LYS 24 HG2 LYS 24 5.126 17.593 -7.478 287 HD2 LYS 24 HD3 LYS 24 6.909 18.741 -8.661 288 HD3 LYS 24 HD2 LYS 24 5.737 19.492 -9.743 289 HE2 LYS 24 HE3 LYS 24 6.084 21.195 -8.253 290 HE3 LYS 24 HE2 LYS 24 4.708 20.387 -7.507 291 HZ1 LYS 24 HZ1 LYS 24 7.548 19.977 -6.750 292 HZ2 LYS 24 HZ2 LYS 24 6.213 19.257 -5.998 293 HZ3 LYS 24 HZ3 LYS 24 6.441 20.931 -5.905 294 H ALA 25 H ALA 25 5.502 14.150 -10.037 295 HA ALA 25 HA ALA 25 5.372 13.872 -12.821 296 HB1 ALA 25 HB1 ALA 25 6.527 11.752 -12.516 297 HB2 ALA 25 HB2 ALA 25 6.126 11.765 -10.800 298 HB3 ALA 25 HB3 ALA 25 7.207 12.991 -11.463 299 H ARG 26 H ARG 26 3.551 12.315 -10.268 300 HA ARG 26 HA ARG 26 2.287 10.330 -11.839 301 HB2 ARG 26 HB3 ARG 26 2.413 10.908 -9.169 302 HB3 ARG 26 HB2 ARG 26 0.760 11.359 -9.544 303 HG2 ARG 26 HG3 ARG 26 1.984 8.667 -10.108 304 HG3 ARG 26 HG2 ARG 26 0.965 9.051 -8.721 305 HD2 ARG 26 HD3 ARG 26 -0.807 9.743 -10.388 306 HD3 ARG 26 HD2 ARG 26 0.207 9.015 -11.633 307 HE ARG 26 HE ARG 26 -0.247 7.184 -9.508 308 HH11 ARG 26 HH11 ARG 26 -1.739 8.601 -12.345 309 HH12 ARG 26 HH12 ARG 26 -2.883 7.302 -12.547 310 HH21 ARG 26 HH21 ARG 26 -1.793 5.503 -9.750 311 HH22 ARG 26 HH22 ARG 26 -2.916 5.564 -11.084 312 H GLY 27 H GLY 27 1.872 13.682 -11.791 313 HA2 GLY 27 HA3 GLY 27 0.506 14.842 -13.304 314 HA3 GLY 27 HA2 GLY 27 -0.508 13.417 -13.451 315 H TYR 28 H TYR 28 0.319 14.420 -10.273 316 HA TYR 28 HA TYR 28 -2.436 15.282 -9.850 317 HB2 TYR 28 HB3 TYR 28 -0.216 14.578 -7.931 318 HB3 TYR 28 HB2 TYR 28 -1.754 15.262 -7.408 319 HD1 TYR 28 HD1 TYR 28 -0.011 12.278 -7.917 320 HD2 TYR 28 HD2 TYR 28 -3.875 13.987 -8.382 321 HE1 TYR 28 HE1 TYR 28 -1.001 10.028 -7.909 322 HE2 TYR 28 HE2 TYR 28 -4.880 11.745 -8.368 323 HH TYR 28 HH TYR 28 -3.148 8.953 -7.466 324 H GLY 29 H GLY 29 -3.001 17.324 -9.653 325 HA2 GLY 29 HA3 GLY 29 -1.000 19.358 -10.025 326 HA3 GLY 29 HA2 GLY 29 -2.740 19.601 -9.939 327 H TRP 30 H TRP 30 -1.641 21.481 -8.692 328 HA TRP 30 HA TRP 30 -0.418 21.207 -6.241 329 HB2 TRP 30 HB3 TRP 30 -0.590 23.345 -7.365 330 HB3 TRP 30 HB2 TRP 30 -2.341 23.342 -7.188 331 HD1 TRP 30 HD1 TRP 30 0.868 23.887 -5.155 332 HE1 TRP 30 HE1 TRP 30 0.249 25.111 -2.973 333 HE3 TRP 30 HE3 TRP 30 -4.209 23.740 -5.578 334 HZ2 TRP 30 HZ2 TRP 30 -2.108 25.915 -1.620 335 HZ3 TRP 30 HZ3 TRP 30 -5.577 24.755 -3.810 336 HH2 TRP 30 HH2 TRP 30 -4.553 25.811 -1.879 337 H ILE 31 H ILE 31 -3.937 21.431 -6.848 338 HA ILE 31 HA ILE 31 -4.757 21.381 -4.198 339 HB ILE 31 HB ILE 31 -6.063 20.758 -6.780 340 HG12 ILE 31 HG13 ILE 31 -5.965 23.026 -5.742 341 HG13 ILE 31 HG12 ILE 31 -7.608 22.460 -6.044 342 HG21 ILE 31 HG21 ILE 31 -6.816 18.866 -5.452 343 HG22 ILE 31 HG22 ILE 31 -8.135 20.012 -5.697 344 HG23 ILE 31 HG23 ILE 31 -7.291 19.955 -4.148 345 HD11 ILE 31 HD11 ILE 31 -7.817 21.838 -3.712 346 HD12 ILE 31 HD12 ILE 31 -7.405 23.545 -3.881 347 HD13 ILE 31 HD13 ILE 31 -6.168 22.375 -3.414 348 H MET 32 H MET 32 -4.610 18.581 -6.409 349 HA MET 32 HA MET 32 -5.195 16.674 -4.455 350 HB2 MET 32 HB3 MET 32 -3.657 16.404 -7.034 351 HB3 MET 32 HB2 MET 32 -4.065 15.036 -6.008 352 HG2 MET 32 HG3 MET 32 -5.887 16.819 -7.554 353 HG3 MET 32 HG2 MET 32 -5.707 15.077 -7.662 354 HE1 MET 32 HE1 MET 32 -5.551 14.580 -4.395 355 HE2 MET 32 HE2 MET 32 -6.287 13.484 -5.564 356 HE3 MET 32 HE3 MET 32 -7.207 14.018 -4.154 357 H ARG 33 H ARG 33 -2.155 18.104 -5.445 358 HA ARG 33 HA ARG 33 -0.503 16.304 -4.010 359 HB2 ARG 33 HB3 ARG 33 0.211 17.729 -5.933 360 HB3 ARG 33 HB2 ARG 33 0.108 19.130 -4.878 361 HG2 ARG 33 HG3 ARG 33 1.871 18.318 -3.508 362 HG3 ARG 33 HG2 ARG 33 1.890 16.767 -4.352 363 HD2 ARG 33 HD3 ARG 33 3.714 18.112 -5.153 364 HD3 ARG 33 HD2 ARG 33 2.509 17.966 -6.429 365 HE ARG 33 HE ARG 33 2.837 20.355 -4.726 366 HH11 ARG 33 HH11 ARG 33 1.985 18.872 -7.789 367 HH12 ARG 33 HH12 ARG 33 1.770 20.386 -8.604 368 HH21 ARG 33 HH21 ARG 33 2.535 22.341 -5.788 369 HH22 ARG 33 HH22 ARG 33 2.090 22.365 -7.466 370 H GLN 34 H GLN 34 -2.392 19.038 -3.120 371 HA GLN 34 HA GLN 34 -1.046 19.443 -0.593 372 HB2 GLN 34 HB3 GLN 34 -3.609 20.534 -1.764 373 HB3 GLN 34 HB2 GLN 34 -3.070 20.917 -0.131 374 HG2 GLN 34 HG3 GLN 34 -1.555 21.509 -2.664 375 HG3 GLN 34 HG2 GLN 34 -2.506 22.667 -1.737 376 HE21 GLN 34 HE21 GLN 34 0.397 20.777 -1.846 377 HE22 GLN 34 HE22 GLN 34 1.221 21.590 -0.563 378 H VAL 35 H VAL 35 -3.859 17.741 -1.822 379 HA VAL 35 HA VAL 35 -4.935 17.083 0.740 380 HB VAL 35 HB VAL 35 -5.443 15.998 -2.038 381 HG11 VAL 35 HG11 VAL 35 -7.082 15.543 0.444 382 HG12 VAL 35 HG12 VAL 35 -6.034 14.345 -0.316 383 HG13 VAL 35 HG13 VAL 35 -7.444 14.960 -1.180 384 HG21 VAL 35 HG21 VAL 35 -6.046 18.332 -1.774 385 HG22 VAL 35 HG22 VAL 35 -7.000 17.940 -0.343 386 HG23 VAL 35 HG23 VAL 35 -7.490 17.331 -1.923 387 H ILE 36 H ILE 36 -3.732 15.011 -1.845 388 HA ILE 36 HA ILE 36 -3.571 12.606 -0.770 389 HB ILE 36 HB ILE 36 -1.582 13.903 -2.593 390 HG12 ILE 36 HG13 ILE 36 -3.899 12.037 -3.112 391 HG13 ILE 36 HG12 ILE 36 -4.012 13.787 -3.230 392 HG21 ILE 36 HG21 ILE 36 -0.555 11.969 -1.582 393 HG22 ILE 36 HG22 ILE 36 -0.998 11.612 -3.251 394 HG23 ILE 36 HG23 ILE 36 -1.990 10.998 -1.924 395 HD11 ILE 36 HD11 ILE 36 -3.776 12.803 -5.404 396 HD12 ILE 36 HD12 ILE 36 -2.294 11.983 -4.903 397 HD13 ILE 36 HD13 ILE 36 -2.336 13.746 -5.013 398 H LYS 37 H LYS 37 -0.742 14.839 -0.443 399 HA LYS 37 HA LYS 37 0.554 12.761 1.111 400 HB2 LYS 37 HB3 LYS 37 2.530 14.164 1.069 401 HB3 LYS 37 HB2 LYS 37 1.850 14.019 -0.545 402 HG2 LYS 37 HG3 LYS 37 0.907 16.212 -0.404 403 HG3 LYS 37 HG2 LYS 37 1.410 16.358 1.282 404 HD2 LYS 37 HD3 LYS 37 3.776 16.086 0.515 405 HD3 LYS 37 HD2 LYS 37 3.186 16.182 -1.145 406 HE2 LYS 37 HE3 LYS 37 2.342 18.405 -0.766 407 HE3 LYS 37 HE2 LYS 37 2.749 18.308 0.947 408 HZ1 LYS 37 HZ1 LYS 37 4.644 18.361 -1.339 409 HZ2 LYS 37 HZ2 LYS 37 5.100 18.077 0.268 410 HZ3 LYS 37 HZ3 LYS 37 4.423 19.560 -0.165 411 H LEU 38 H LEU 38 -1.641 15.047 1.920 412 HA LEU 38 HA LEU 38 -0.437 15.738 4.472 413 HB2 LEU 38 HB3 LEU 38 -1.476 17.542 3.339 414 HB3 LEU 38 HB2 LEU 38 -2.891 16.591 2.956 415 HG LEU 38 HG LEU 38 -3.143 18.413 4.691 416 HD11 LEU 38 HD11 LEU 38 -4.638 17.019 6.078 417 HD12 LEU 38 HD12 LEU 38 -3.929 15.587 5.321 418 HD13 LEU 38 HD13 LEU 38 -4.822 16.746 4.342 419 HD21 LEU 38 HD21 LEU 38 -1.698 16.407 6.404 420 HD22 LEU 38 HD22 LEU 38 -2.520 17.857 6.979 421 HD23 LEU 38 HD23 LEU 38 -1.100 18.001 5.944 422 H ALA 39 H ALA 39 -3.010 13.847 3.043 423 HA ALA 39 HA ALA 39 -4.410 13.091 5.326 424 HB1 ALA 39 HB1 ALA 39 -5.295 11.284 3.979 425 HB2 ALA 39 HB2 ALA 39 -3.993 11.487 2.807 426 HB3 ALA 39 HB3 ALA 39 -5.198 12.759 3.015 427 H GLY 40 H GLY 40 -3.855 11.883 7.002 428 HA2 GLY 40 HA3 GLY 40 -1.437 10.394 7.141 429 HA3 GLY 40 HA2 GLY 40 -2.748 10.354 8.315 430 H VAL 41 H VAL 41 -1.082 8.200 6.970 431 HA VAL 41 HA VAL 41 -3.317 6.680 5.806 432 HB VAL 41 HB VAL 41 -0.430 6.523 4.935 433 HG11 VAL 41 HG11 VAL 41 -1.558 4.385 4.747 434 HG12 VAL 41 HG12 VAL 41 -1.288 5.076 3.146 435 HG13 VAL 41 HG13 VAL 41 -2.891 5.142 3.877 436 HG21 VAL 41 HG21 VAL 41 -1.223 7.495 2.822 437 HG22 VAL 41 HG22 VAL 41 -1.453 8.594 4.182 438 HG23 VAL 41 HG23 VAL 41 -2.825 7.699 3.530 439 H THR 42 H THR 42 -3.775 4.877 6.791 440 HA THR 42 HA THR 42 -1.760 3.598 8.501 441 HB THR 42 HB THR 42 -4.773 3.395 8.468 442 HG1 THR 42 HG1 THR 42 -3.865 5.224 9.534 443 HG21 THR 42 HG21 THR 42 -4.554 1.884 10.399 444 HG22 THR 42 HG22 THR 42 -2.805 1.868 10.176 445 HG23 THR 42 HG23 THR 42 -3.857 1.185 8.938 446 H LYS 43 H LYS 43 -0.637 2.189 7.277 447 HA LYS 43 HA LYS 43 -1.908 0.539 5.274 448 HB2 LYS 43 HB3 LYS 43 0.886 0.739 6.382 449 HB3 LYS 43 HB2 LYS 43 0.424 -0.583 5.319 450 HG2 LYS 43 HG3 LYS 43 0.042 2.292 4.550 451 HG3 LYS 43 HG2 LYS 43 1.550 1.424 4.254 452 HD2 LYS 43 HD3 LYS 43 0.374 -0.219 2.916 453 HD3 LYS 43 HD2 LYS 43 -1.169 0.559 3.274 454 HE2 LYS 43 HE3 LYS 43 1.112 1.933 1.862 455 HE3 LYS 43 HE2 LYS 43 -0.194 1.097 1.024 456 HZ1 LYS 43 HZ1 LYS 43 -0.469 3.449 2.809 457 HZ2 LYS 43 HZ2 LYS 43 -1.764 2.597 2.131 458 HZ3 LYS 43 HZ3 LYS 43 -0.682 3.428 1.126 459 H LYS 44 H LYS 44 -2.869 -1.364 5.672 460 HA LYS 44 HA LYS 44 -2.311 -2.649 8.254 461 HB2 LYS 44 HB3 LYS 44 -4.330 -1.264 8.362 462 HB3 LYS 44 HB2 LYS 44 -4.996 -2.123 6.984 463 HG2 LYS 44 HG3 LYS 44 -4.968 -4.195 8.329 464 HG3 LYS 44 HG2 LYS 44 -4.440 -3.235 9.716 465 HD2 LYS 44 HD3 LYS 44 -6.427 -1.902 9.624 466 HD3 LYS 44 HD2 LYS 44 -6.931 -2.683 8.126 467 HE2 LYS 44 HE3 LYS 44 -7.127 -4.816 9.335 468 HE3 LYS 44 HE2 LYS 44 -6.676 -3.993 10.828 469 HZ1 LYS 44 HZ1 LYS 44 -9.073 -4.231 10.624 470 HZ2 LYS 44 HZ2 LYS 44 -9.054 -3.368 9.166 471 HZ3 LYS 44 HZ3 LYS 44 -8.628 -2.600 10.615 472 H PHE 45 H PHE 45 -1.600 -4.629 7.900 473 HA PHE 45 HA PHE 45 -2.784 -6.211 5.703 474 HB2 PHE 45 HB3 PHE 45 0.045 -6.327 6.773 475 HB3 PHE 45 HB2 PHE 45 -0.622 -7.429 5.579 476 HD1 PHE 45 HD1 PHE 45 0.241 -3.884 6.195 477 HD2 PHE 45 HD2 PHE 45 -0.581 -6.892 3.299 478 HE1 PHE 45 HE1 PHE 45 0.939 -2.348 4.405 479 HE2 PHE 45 HE2 PHE 45 0.119 -5.363 1.505 480 HZ PHE 45 HZ PHE 45 0.973 -3.132 2.059 481 H ARG 46 H ARG 46 -3.705 -8.105 6.315 482 HA ARG 46 HA ARG 46 -2.820 -9.481 8.704 483 HB2 ARG 46 HB3 ARG 46 -5.044 -9.437 9.781 484 HB3 ARG 46 HB2 ARG 46 -4.327 -7.833 9.675 485 HG2 ARG 46 HG3 ARG 46 -5.700 -7.366 7.698 486 HG3 ARG 46 HG2 ARG 46 -6.433 -8.960 7.854 487 HD2 ARG 46 HD3 ARG 46 -7.334 -8.353 10.027 488 HD3 ARG 46 HD2 ARG 46 -6.566 -6.767 9.915 489 HE ARG 46 HE ARG 46 -8.096 -6.958 7.647 490 HH11 ARG 46 HH11 ARG 46 -8.726 -7.114 11.095 491 HH12 ARG 46 HH12 ARG 46 -10.371 -6.588 10.939 492 HH21 ARG 46 HH21 ARG 46 -10.211 -6.250 7.438 493 HH22 ARG 46 HH22 ARG 46 -11.225 -6.074 8.844 494 H ASN 47 H ASN 47 -4.161 -11.447 9.080 495 HA ASN 47 HA ASN 47 -4.677 -12.984 6.763 496 HB2 ASN 47 HB3 ASN 47 -5.525 -13.316 9.643 497 HB3 ASN 47 HB2 ASN 47 -5.948 -14.492 8.401 498 HD21 ASN 47 HD21 ASN 47 -4.385 -15.841 7.590 499 HD22 ASN 47 HD22 ASN 47 -2.803 -15.970 8.282 500 H ALA 48 H ALA 48 -6.891 -13.847 6.075 501 HA ALA 48 HA ALA 48 -8.540 -11.754 5.339 502 HB1 ALA 48 HB1 ALA 48 -8.480 -13.994 4.287 503 HB2 ALA 48 HB2 ALA 48 -10.114 -13.414 4.618 504 HB3 ALA 48 HB3 ALA 48 -9.382 -14.626 5.668 505 H ALA 49 H ALA 49 -10.466 -10.939 6.032 506 HA ALA 49 HA ALA 49 -10.792 -10.299 8.645 507 HB1 ALA 49 HB1 ALA 49 -11.935 -9.239 6.743 508 HB2 ALA 49 HB2 ALA 49 -13.025 -9.580 8.089 509 HB3 ALA 49 HB3 ALA 49 -13.027 -10.624 6.668 510 H SER 50 H SER 50 -12.871 -12.680 7.016 511 HA SER 50 HA SER 50 -14.149 -13.630 9.309 512 HB2 SER 50 HB3 SER 50 -13.556 -15.011 6.684 513 HB3 SER 50 HB2 SER 50 -14.685 -15.620 7.890 514 HG SER 50 HG SER 50 -15.911 -13.722 7.612 515 H GLY 51 H GLY 51 -11.279 -14.725 7.638 516 HA2 GLY 51 HA3 GLY 51 -9.369 -15.412 9.061 517 HA3 GLY 51 HA2 GLY 51 -10.539 -16.295 10.034 518 H LYS 52 H LYS 52 -10.575 -16.125 6.557 519 HA LYS 52 HA LYS 52 -10.524 -19.017 6.424 520 HB2 LYS 52 HB3 LYS 52 -11.011 -16.907 4.310 521 HB3 LYS 52 HB2 LYS 52 -11.116 -18.641 4.032 522 HG2 LYS 52 HG3 LYS 52 -12.955 -18.821 5.587 523 HG3 LYS 52 HG2 LYS 52 -12.807 -17.115 6.002 524 HD2 LYS 52 HD3 LYS 52 -13.396 -18.088 3.213 525 HD3 LYS 52 HD2 LYS 52 -14.655 -17.697 4.386 526 HE2 LYS 52 HE3 LYS 52 -13.801 -15.422 4.558 527 HE3 LYS 52 HE2 LYS 52 -12.513 -15.806 3.419 528 HZ1 LYS 52 HZ1 LYS 52 -14.199 -16.243 1.737 529 HZ2 LYS 52 HZ2 LYS 52 -14.317 -14.663 2.322 530 HZ3 LYS 52 HZ3 LYS 52 -15.423 -15.836 2.831 531 HA PRO 53 HA PRO 53 -6.174 -19.073 5.738 532 HB2 PRO 53 HB3 PRO 53 -6.024 -21.543 4.543 533 HB3 PRO 53 HB2 PRO 53 -6.141 -21.285 6.287 534 HG2 PRO 53 HG3 PRO 53 -8.296 -21.939 4.321 535 HG3 PRO 53 HG2 PRO 53 -8.022 -22.603 5.943 536 HD2 PRO 53 HD3 PRO 53 -9.887 -20.736 5.518 537 HD3 PRO 53 HD2 PRO 53 -8.899 -20.721 6.995 538 H ASP 54 H ASP 54 -4.723 -18.757 4.178 539 HA ASP 54 HA ASP 54 -3.703 -18.681 2.120 540 HB2 ASP 54 HB3 ASP 54 -6.431 -19.311 0.953 541 HB3 ASP 54 HB2 ASP 54 -4.974 -19.046 0.007 542 H ARG 55 H ARG 55 -6.995 -17.467 1.916 543 HA ARG 55 HA ARG 55 -6.301 -14.992 0.782 544 HB2 ARG 55 HB3 ARG 55 -8.779 -15.942 2.190 545 HB3 ARG 55 HB2 ARG 55 -8.628 -14.289 1.608 546 HG2 ARG 55 HG3 ARG 55 -9.784 -15.481 -0.061 547 HG3 ARG 55 HG2 ARG 55 -8.145 -15.251 -0.667 548 HD2 ARG 55 HD3 ARG 55 -7.599 -17.545 0.123 549 HD3 ARG 55 HD2 ARG 55 -9.296 -17.754 0.553 550 HE ARG 55 HE ARG 55 -8.445 -17.178 -2.211 551 HH11 ARG 55 HH11 ARG 55 -10.257 -19.099 0.095 552 HH12 ARG 55 HH12 ARG 55 -11.020 -20.064 -1.124 553 HH21 ARG 55 HH21 ARG 55 -9.438 -18.448 -3.806 554 HH22 ARG 55 HH22 ARG 55 -10.567 -19.685 -3.350 555 H TYR 56 H TYR 56 -5.846 -13.056 1.552 556 HA TYR 56 HA TYR 56 -5.771 -12.713 4.473 557 HB2 TYR 56 HB3 TYR 56 -3.795 -11.885 2.364 558 HB3 TYR 56 HB2 TYR 56 -3.902 -11.011 3.886 559 HD1 TYR 56 HD1 TYR 56 -3.225 -14.321 2.397 560 HD2 TYR 56 HD2 TYR 56 -2.911 -11.895 5.874 561 HE1 TYR 56 HE1 TYR 56 -1.760 -16.000 3.425 562 HE2 TYR 56 HE2 TYR 56 -1.441 -13.570 6.914 563 HH TYR 56 HH TYR 56 -0.967 -15.986 6.715 564 H ASP 57 H ASP 57 -5.576 -10.224 4.943 565 HA ASP 57 HA ASP 57 -7.553 -8.793 3.292 566 HB2 ASP 57 HB3 ASP 57 -8.603 -9.794 5.334 567 HB3 ASP 57 HB2 ASP 57 -7.488 -8.864 6.320 568 H MET 58 H MET 58 -7.071 -6.639 2.965 569 HA MET 58 HA MET 58 -4.886 -5.457 4.497 570 HB2 MET 58 HB3 MET 58 -3.814 -6.644 2.598 571 HB3 MET 58 HB2 MET 58 -4.782 -5.695 1.480 572 HG2 MET 58 HG3 MET 58 -2.978 -4.370 3.464 573 HG3 MET 58 HG2 MET 58 -2.354 -4.995 1.941 574 HE1 MET 58 HE1 MET 58 -2.444 -1.881 3.182 575 HE2 MET 58 HE2 MET 58 -2.592 -1.019 1.652 576 HE3 MET 58 HE3 MET 58 -1.478 -2.383 1.790 577 H GLU 59 H GLU 59 -5.181 -3.330 4.807 578 HA GLU 59 HA GLU 59 -7.207 -1.993 3.166 579 HB2 GLU 59 HB3 GLU 59 -7.205 -1.950 6.190 580 HB3 GLU 59 HB2 GLU 59 -8.329 -1.097 5.144 581 HG2 GLU 59 HG3 GLU 59 -9.183 -3.234 4.312 582 HG3 GLU 59 HG2 GLU 59 -8.056 -4.090 5.364 583 H ASN 60 H ASN 60 -7.217 0.286 3.236 584 HA ASN 60 HA ASN 60 -4.775 1.526 4.325 585 HB2 ASN 60 HB3 ASN 60 -6.031 2.079 1.626 586 HB3 ASN 60 HB2 ASN 60 -4.728 3.021 2.337 587 HD21 ASN 60 HD21 ASN 60 -5.601 0.157 0.670 588 HD22 ASN 60 HD22 ASN 60 -4.000 -0.454 0.436 589 H LEU 61 H LEU 61 -5.799 2.452 6.057 590 HA LEU 61 HA LEU 61 -8.224 4.003 5.602 591 HB2 LEU 61 HB3 LEU 61 -8.151 2.626 7.589 592 HB3 LEU 61 HB2 LEU 61 -6.652 3.375 8.099 593 HG LEU 61 HG LEU 61 -7.861 5.524 8.378 594 HD11 LEU 61 HD11 LEU 61 -9.682 5.143 6.816 595 HD12 LEU 61 HD12 LEU 61 -10.307 5.500 8.426 596 HD13 LEU 61 HD13 LEU 61 -10.297 3.838 7.830 597 HD21 LEU 61 HD21 LEU 61 -8.965 3.187 9.924 598 HD22 LEU 61 HD22 LEU 61 -9.023 4.876 10.428 599 HD23 LEU 61 HD23 LEU 61 -7.471 4.054 10.274 600 H THR 62 H THR 62 -8.218 6.158 5.273 601 HA THR 62 HA THR 62 -5.868 7.694 6.093 602 HB THR 62 HB THR 62 -5.664 8.838 4.011 603 HG1 THR 62 HG1 THR 62 -7.516 7.444 2.548 604 HG21 THR 62 HG21 THR 62 -4.574 6.651 4.029 605 HG22 THR 62 HG22 THR 62 -5.160 7.039 2.412 606 HG23 THR 62 HG23 THR 62 -6.049 5.901 3.423 607 H THR 63 H THR 63 -6.560 10.170 5.321 608 HA THR 63 HA THR 63 -8.900 10.651 6.974 609 HB THR 63 HB THR 63 -8.138 12.900 7.166 610 HG1 THR 63 HG1 THR 63 -7.175 13.843 5.538 611 HG21 THR 63 HG21 THR 63 -6.786 11.298 8.417 612 HG22 THR 63 HG22 THR 63 -5.786 12.639 7.850 613 HG23 THR 63 HG23 THR 63 -5.732 11.084 7.019 614 H LYS 64 H LYS 64 -8.054 10.556 3.652 615 HA LYS 64 HA LYS 64 -10.275 12.349 2.941 616 HB2 LYS 64 HB3 LYS 64 -7.881 11.486 1.310 617 HB3 LYS 64 HB2 LYS 64 -9.152 12.562 0.747 618 HG2 LYS 64 HG3 LYS 64 -7.324 13.113 3.076 619 HG3 LYS 64 HG2 LYS 64 -7.119 13.755 1.447 620 HD2 LYS 64 HD3 LYS 64 -9.315 14.862 1.634 621 HD3 LYS 64 HD2 LYS 64 -9.461 14.254 3.284 622 HE2 LYS 64 HE3 LYS 64 -7.426 15.489 3.899 623 HE3 LYS 64 HE2 LYS 64 -7.328 16.125 2.260 624 HZ1 LYS 64 HZ1 LYS 64 -9.549 16.595 4.172 625 HZ2 LYS 64 HZ2 LYS 64 -9.471 17.202 2.596 626 HZ3 LYS 64 HZ3 LYS 64 -8.351 17.712 3.756 627 H LYS 65 H LYS 65 -8.925 9.166 2.473 628 HA LYS 65 HA LYS 65 -11.432 8.292 1.271 629 HB2 LYS 65 HB3 LYS 65 -9.692 8.816 -0.526 630 HB3 LYS 65 HB2 LYS 65 -8.798 7.442 0.102 631 HG2 LYS 65 HG3 LYS 65 -10.180 6.945 -1.910 632 HG3 LYS 65 HG2 LYS 65 -10.543 5.922 -0.525 633 HD2 LYS 65 HD3 LYS 65 -12.478 7.388 -0.018 634 HD3 LYS 65 HD2 LYS 65 -12.130 8.299 -1.488 635 HE2 LYS 65 HE3 LYS 65 -13.874 6.702 -1.947 636 HE3 LYS 65 HE2 LYS 65 -12.411 6.213 -2.794 637 HZ1 LYS 65 HZ1 LYS 65 -13.271 5.085 -0.184 638 HZ2 LYS 65 HZ2 LYS 65 -12.003 4.534 -1.157 639 HZ3 LYS 65 HZ3 LYS 65 -13.601 4.370 -1.675 640 H ASP 66 H ASP 66 -9.679 5.828 0.767 641 HA ASP 66 HA ASP 66 -9.113 4.328 2.871 642 HB2 ASP 66 HB3 ASP 66 -11.089 5.139 4.080 643 HB3 ASP 66 HB2 ASP 66 -12.125 4.575 2.777 644 H THR 67 H THR 67 -8.585 2.452 1.981 645 HA THR 67 HA THR 67 -10.512 1.202 0.149 646 HB THR 67 HB THR 67 -8.501 -0.065 -0.802 647 HG1 THR 67 HG1 THR 67 -6.719 1.874 -0.537 648 HG21 THR 67 HG21 THR 67 -8.026 1.638 -2.473 649 HG22 THR 67 HG22 THR 67 -8.682 2.888 -1.420 650 HG23 THR 67 HG23 THR 67 -9.741 1.641 -2.073 651 H HIS 68 H HIS 68 -10.433 -1.175 0.252 652 HA HIS 68 HA HIS 68 -9.221 -2.308 2.596 653 HB2 HIS 68 HB3 HIS 68 -11.405 -3.114 3.557 654 HB3 HIS 68 HB2 HIS 68 -11.106 -1.393 3.733 655 HD1 HIS 68 HD1 HIS 68 -13.863 -1.716 4.122 656 HD2 HIS 68 HD2 HIS 68 -12.353 -1.854 0.263 657 HE1 HIS 68 HE1 HIS 68 -15.833 -1.294 2.625 658 HE2 HIS 68 HE2 HIS 68 -14.822 -1.044 0.330 659 H HIS 69 H HIS 69 -8.248 -3.465 0.980 660 HA HIS 69 HA HIS 69 -9.590 -5.151 -0.867 661 HB2 HIS 69 HB3 HIS 69 -6.840 -5.686 0.246 662 HB3 HIS 69 HB2 HIS 69 -7.462 -6.085 -1.345 663 HD1 HIS 69 HD1 HIS 69 -8.535 -2.919 -1.612 664 HD2 HIS 69 HD2 HIS 69 -4.690 -4.385 -0.989 665 HE1 HIS 69 HE1 HIS 69 -6.977 -1.134 -2.446 666 HE2 HIS 69 HE2 HIS 69 -4.670 -2.156 -2.299 667 H LYS 70 H LYS 70 -11.168 -6.251 0.399 668 HA LYS 70 HA LYS 70 -10.260 -7.887 2.586 669 HB2 LYS 70 HB3 LYS 70 -12.978 -7.439 1.398 670 HB3 LYS 70 HB2 LYS 70 -12.669 -8.496 2.775 671 HG2 LYS 70 HG3 LYS 70 -11.756 -6.655 4.021 672 HG3 LYS 70 HG2 LYS 70 -11.966 -5.586 2.637 673 HD2 LYS 70 HD3 LYS 70 -14.408 -6.002 2.770 674 HD3 LYS 70 HD2 LYS 70 -14.120 -6.911 4.265 675 HE2 LYS 70 HE3 LYS 70 -13.130 -4.142 3.802 676 HE3 LYS 70 HE2 LYS 70 -14.706 -4.464 4.540 677 HZ1 LYS 70 HZ1 LYS 70 -13.038 -4.102 6.231 678 HZ2 LYS 70 HZ2 LYS 70 -12.051 -5.308 5.578 679 HZ3 LYS 70 HZ3 LYS 70 -13.533 -5.718 6.281 680 H ASP 71 H ASP 71 -9.649 -9.881 2.462 681 HA ASP 71 HA ASP 71 -9.557 -12.098 1.969 682 HB2 ASP 71 HB3 ASP 71 -12.044 -11.826 2.231 683 HB3 ASP 71 HB2 ASP 71 -12.152 -11.644 0.490 684 H TRP 72 H TRP 72 -7.760 -11.166 0.593 685 HA TRP 72 HA TRP 72 -8.226 -11.858 -2.237 686 HB2 TRP 72 HB3 TRP 72 -6.321 -10.342 -2.756 687 HB3 TRP 72 HB2 TRP 72 -7.705 -9.502 -2.057 688 HD1 TRP 72 HD1 TRP 72 -7.389 -8.391 0.324 689 HE1 TRP 72 HE1 TRP 72 -5.320 -7.870 1.759 690 HE3 TRP 72 HE3 TRP 72 -3.924 -11.230 -2.149 691 HZ2 TRP 72 HZ2 TRP 72 -2.581 -8.578 1.812 692 HZ3 TRP 72 HZ3 TRP 72 -1.615 -11.216 -1.300 693 HH2 TRP 72 HH2 TRP 72 -0.965 -9.929 0.620 694 H ALA 73 H ALA 73 -6.412 -12.834 -3.371 695 HA ALA 73 HA ALA 73 -4.372 -14.001 -1.591 696 HB1 ALA 73 HB1 ALA 73 -5.638 -15.156 -4.076 697 HB2 ALA 73 HB2 ALA 73 -5.888 -15.713 -2.420 698 HB3 ALA 73 HB3 ALA 73 -4.307 -15.891 -3.182 699 H LEU 74 H LEU 74 -2.222 -13.838 -2.352 700 HA LEU 74 HA LEU 74 -1.665 -11.947 -4.319 701 HB2 LEU 74 HB3 LEU 74 0.670 -13.093 -4.389 702 HB3 LEU 74 HB2 LEU 74 0.171 -12.164 -3.001 703 HG LEU 74 HG LEU 74 1.436 -14.323 -2.581 704 HD11 LEU 74 HD11 LEU 74 0.185 -13.084 -0.852 705 HD12 LEU 74 HD12 LEU 74 0.231 -14.823 -0.575 706 HD13 LEU 74 HD13 LEU 74 -1.231 -14.074 -1.204 707 HD21 LEU 74 HD21 LEU 74 -1.225 -15.530 -3.298 708 HD22 LEU 74 HD22 LEU 74 0.127 -16.384 -2.548 709 HD23 LEU 74 HD23 LEU 74 0.288 -15.731 -4.180 710 H GLY 75 H GLY 75 -1.010 -12.081 -6.394 711 HA2 GLY 75 HA3 GLY 75 -1.060 -12.922 -8.561 712 HA3 GLY 75 HA2 GLY 75 -1.425 -14.512 -7.906 713 H GLU 76 H GLU 76 -3.469 -12.201 -6.557 714 HA GLU 76 HA GLU 76 -5.552 -12.878 -8.519 715 HB2 GLU 76 HB3 GLU 76 -5.758 -13.922 -6.220 716 HB3 GLU 76 HB2 GLU 76 -6.069 -12.301 -5.615 717 HG2 GLU 76 HG3 GLU 76 -8.006 -12.121 -7.079 718 HG3 GLU 76 HG2 GLU 76 -7.694 -13.742 -7.695 719 H GLU 77 H GLU 77 -6.336 -11.268 -9.596 720 HA GLU 77 HA GLU 77 -6.134 -8.517 -8.673 721 HB2 GLU 77 HB3 GLU 77 -5.692 -9.074 -11.026 722 HB3 GLU 77 HB2 GLU 77 -7.320 -9.711 -11.194 723 HG2 GLU 77 HG3 GLU 77 -8.217 -7.468 -10.742 724 HG3 GLU 77 HG2 GLU 77 -6.567 -6.849 -10.656 725 H PHE 78 H PHE 78 -7.690 -7.438 -7.679 726 HA PHE 78 HA PHE 78 -10.463 -8.422 -7.780 727 HB2 PHE 78 HB3 PHE 78 -10.577 -7.761 -5.322 728 HB3 PHE 78 HB2 PHE 78 -9.659 -9.216 -5.685 729 HD1 PHE 78 HD1 PHE 78 -7.343 -9.356 -5.204 730 HD2 PHE 78 HD2 PHE 78 -9.400 -5.655 -4.803 731 HE1 PHE 78 HE1 PHE 78 -5.410 -8.414 -4.017 732 HE2 PHE 78 HE2 PHE 78 -7.469 -4.707 -3.621 733 HZ PHE 78 HZ PHE 78 -5.436 -6.096 -3.271 734 H GLN 79 H GLN 79 -12.066 -6.779 -7.393 735 HA GLN 79 HA GLN 79 -11.114 -4.104 -8.076 736 HB2 GLN 79 HB3 GLN 79 -12.967 -5.074 -9.388 737 HB3 GLN 79 HB2 GLN 79 -13.935 -5.188 -7.925 738 HG2 GLN 79 HG3 GLN 79 -14.001 -2.795 -7.719 739 HG3 GLN 79 HG2 GLN 79 -12.890 -2.611 -9.073 740 HE21 GLN 79 HE21 GLN 79 -15.627 -1.620 -8.663 741 HE22 GLN 79 HE22 GLN 79 -16.534 -2.188 -10.022 742 H ASP 80 H ASP 80 -11.634 -2.265 -6.837 743 HA ASP 80 HA ASP 80 -12.816 -2.602 -4.220 744 HB2 ASP 80 HB3 ASP 80 -10.374 -3.317 -4.005 745 HB3 ASP 80 HB2 ASP 80 -9.949 -1.644 -4.349 746 H GLU 81 H GLU 81 -12.698 -0.467 -2.988 747 HA GLU 81 HA GLU 81 -13.537 1.606 -4.840 748 HB2 GLU 81 HB3 GLU 81 -14.276 2.794 -2.764 749 HB3 GLU 81 HB2 GLU 81 -15.034 1.227 -3.011 750 HG2 GLU 81 HG3 GLU 81 -13.576 0.228 -1.359 751 HG3 GLU 81 HG2 GLU 81 -12.726 1.760 -1.154 752 H ALA 82 H ALA 82 -11.786 2.382 -5.716 753 HA ALA 82 HA ALA 82 -9.217 2.441 -4.817 754 HB1 ALA 82 HB1 ALA 82 -8.853 4.057 -6.635 755 HB2 ALA 82 HB2 ALA 82 -10.604 4.253 -6.770 756 HB3 ALA 82 HB3 ALA 82 -9.862 2.690 -7.109 757 H LEU 83 H LEU 83 -7.836 3.865 -3.859 758 HA LEU 83 HA LEU 83 -8.630 5.889 -2.117 759 HB2 LEU 83 HB3 LEU 83 -6.032 5.644 -3.650 760 HB3 LEU 83 HB2 LEU 83 -6.306 6.812 -2.379 761 HG LEU 83 HG LEU 83 -5.067 5.153 -1.348 762 HD11 LEU 83 HD11 LEU 83 -6.595 3.964 0.193 763 HD12 LEU 83 HD12 LEU 83 -7.953 4.529 -0.782 764 HD13 LEU 83 HD13 LEU 83 -6.920 5.692 0.048 765 HD21 LEU 83 HD21 LEU 83 -5.499 2.744 -1.562 766 HD22 LEU 83 HD22 LEU 83 -5.097 3.505 -3.103 767 HD23 LEU 83 HD23 LEU 83 -6.770 3.096 -2.731 768 H ASP 84 H ASP 84 -7.892 5.875 -5.503 769 HA ASP 84 HA ASP 84 -8.018 8.724 -5.826 770 HB2 ASP 84 HB3 ASP 84 -7.852 8.190 -8.278 771 HB3 ASP 84 HB2 ASP 84 -6.538 7.570 -7.286 772 H SER 85 H SER 85 -10.400 7.147 -4.848 773 HA SER 85 HA SER 85 -12.612 7.572 -4.763 774 HB2 SER 85 HB3 SER 85 -11.896 9.938 -6.504 775 HB3 SER 85 HB2 SER 85 -13.413 9.730 -5.629 776 HG SER 85 HG SER 85 -10.885 10.397 -4.692 777 H THR 86 H THR 86 -11.536 5.895 -6.938 778 HA THR 86 HA THR 86 -13.969 5.949 -8.586 779 HB THR 86 HB THR 86 -12.680 4.941 -10.444 780 HG1 THR 86 HG1 THR 86 -10.250 5.755 -9.296 781 HG21 THR 86 HG21 THR 86 -11.514 6.971 -11.162 782 HG22 THR 86 HG22 THR 86 -11.621 7.608 -9.522 783 HG23 THR 86 HG23 THR 86 -13.090 7.333 -10.459 784 H GLN 87 H GLN 87 -13.946 3.620 -9.777 785 HA GLN 87 HA GLN 87 -13.365 1.597 -7.709 786 HB2 GLN 87 HB3 GLN 87 -15.436 1.476 -9.912 787 HB3 GLN 87 HB2 GLN 87 -15.163 0.260 -8.673 788 HG2 GLN 87 HG3 GLN 87 -16.010 3.072 -8.088 789 HG3 GLN 87 HG2 GLN 87 -17.143 1.740 -8.324 790 HE21 GLN 87 HE21 GLN 87 -14.872 3.237 -6.219 791 HE22 GLN 87 HE22 GLN 87 -15.192 2.245 -4.840 792 H HIS 88 H HIS 88 -11.668 0.306 -8.322 793 HA HIS 88 HA HIS 88 -11.639 -0.524 -11.072 794 HB2 HIS 88 HB3 HIS 88 -9.344 0.178 -11.583 795 HB3 HIS 88 HB2 HIS 88 -10.465 1.514 -11.394 796 HD1 HIS 88 HD1 HIS 88 -7.841 -0.279 -9.263 797 HD2 HIS 88 HD2 HIS 88 -9.486 3.481 -9.911 798 HE1 HIS 88 HE1 HIS 88 -6.485 1.311 -7.850 799 HE2 HIS 88 HE2 HIS 88 -7.556 3.579 -8.187 800 H LYS 89 H LYS 89 -9.660 -1.869 -11.589 801 HA LYS 89 HA LYS 89 -9.775 -4.006 -9.668 802 HB2 LYS 89 HB3 LYS 89 -8.603 -5.295 -11.434 803 HB3 LYS 89 HB2 LYS 89 -10.085 -4.541 -12.004 804 HG2 LYS 89 HG3 LYS 89 -8.676 -2.686 -12.929 805 HG3 LYS 89 HG2 LYS 89 -7.261 -3.663 -12.536 806 HD2 LYS 89 HD3 LYS 89 -8.112 -5.460 -13.966 807 HD3 LYS 89 HD2 LYS 89 -9.519 -4.470 -14.363 808 HE2 LYS 89 HE3 LYS 89 -7.972 -2.753 -15.281 809 HE3 LYS 89 HE2 LYS 89 -6.635 -3.868 -15.003 810 HZ1 LYS 89 HZ1 LYS 89 -7.366 -4.009 -17.272 811 HZ2 LYS 89 HZ2 LYS 89 -8.954 -4.318 -16.795 812 HZ3 LYS 89 HZ3 LYS 89 -7.745 -5.454 -16.483 813 H ILE 90 H ILE 90 -7.957 -5.097 -8.885 814 HA ILE 90 HA ILE 90 -5.430 -3.651 -8.812 815 HB ILE 90 HB ILE 90 -6.962 -4.402 -6.318 816 HG12 ILE 90 HG13 ILE 90 -6.222 -1.660 -7.376 817 HG13 ILE 90 HG12 ILE 90 -7.838 -2.352 -7.391 818 HG21 ILE 90 HG21 ILE 90 -4.266 -3.101 -6.661 819 HG22 ILE 90 HG22 ILE 90 -4.573 -4.769 -6.148 820 HG23 ILE 90 HG23 ILE 90 -5.084 -3.423 -5.123 821 HD11 ILE 90 HD11 ILE 90 -7.576 -0.766 -5.580 822 HD12 ILE 90 HD12 ILE 90 -6.218 -1.697 -4.943 823 HD13 ILE 90 HD13 ILE 90 -7.839 -2.393 -4.953 824 H THR 91 H THR 91 -3.908 -5.141 -9.181 825 HA THR 91 HA THR 91 -4.404 -7.901 -8.346 826 HB THR 91 HB THR 91 -2.095 -6.876 -9.997 827 HG1 THR 91 HG1 THR 91 -4.562 -6.833 -10.737 828 HG21 THR 91 HG21 THR 91 -1.925 -9.221 -10.701 829 HG22 THR 91 HG22 THR 91 -3.261 -9.638 -9.632 830 HG23 THR 91 HG23 THR 91 -1.738 -9.058 -8.956 831 H PHE 92 H PHE 92 -3.529 -8.667 -6.568 832 HA PHE 92 HA PHE 92 -1.239 -7.235 -5.381 833 HB2 PHE 92 HB3 PHE 92 -3.553 -8.553 -4.213 834 HB3 PHE 92 HB2 PHE 92 -2.048 -9.187 -3.556 835 HD1 PHE 92 HD1 PHE 92 -3.349 -5.817 -4.515 836 HD2 PHE 92 HD2 PHE 92 -1.427 -8.224 -1.585 837 HE1 PHE 92 HE1 PHE 92 -3.156 -3.862 -3.039 838 HE2 PHE 92 HE2 PHE 92 -1.236 -6.275 -0.099 839 HZ PHE 92 HZ PHE 92 -2.100 -4.087 -0.824 840 H ASP 93 H ASP 93 0.714 -8.203 -5.450 841 HA ASP 93 HA ASP 93 0.822 -11.049 -6.083 842 HB2 ASP 93 HB3 ASP 93 0.639 -9.832 -8.252 843 HB3 ASP 93 HB2 ASP 93 2.111 -8.957 -7.849 844 H LEU 94 H LEU 94 2.613 -12.029 -5.301 845 HA LEU 94 HA LEU 94 4.464 -10.397 -3.777 846 HB2 LEU 94 HB3 LEU 94 3.622 -13.190 -3.768 847 HB3 LEU 94 HB2 LEU 94 5.359 -13.010 -3.615 848 HG LEU 94 HG LEU 94 4.241 -13.158 -1.427 849 HD11 LEU 94 HD11 LEU 94 5.446 -10.451 -1.975 850 HD12 LEU 94 HD12 LEU 94 6.340 -11.931 -1.627 851 HD13 LEU 94 HD13 LEU 94 5.293 -11.222 -0.398 852 HD21 LEU 94 HD21 LEU 94 2.878 -10.629 -2.332 853 HD22 LEU 94 HD22 LEU 94 2.899 -11.208 -0.664 854 HD23 LEU 94 HD23 LEU 94 2.112 -12.166 -1.922 855 H LYS 95 H LYS 95 6.244 -9.642 -4.618 856 HA LYS 95 HA LYS 95 7.142 -10.644 -7.209 857 HB2 LYS 95 HB3 LYS 95 6.848 -8.252 -7.050 858 HB3 LYS 95 HB2 LYS 95 7.821 -8.179 -5.589 859 HG2 LYS 95 HG3 LYS 95 9.804 -8.768 -6.851 860 HG3 LYS 95 HG2 LYS 95 8.840 -8.921 -8.322 861 HD2 LYS 95 HD3 LYS 95 8.301 -6.582 -8.284 862 HD3 LYS 95 HD2 LYS 95 9.061 -6.386 -6.704 863 HE2 LYS 95 HE3 LYS 95 10.534 -7.263 -9.179 864 HE3 LYS 95 HE2 LYS 95 10.430 -5.588 -8.647 865 HZ1 LYS 95 HZ1 LYS 95 12.477 -6.771 -7.935 866 HZ2 LYS 95 HZ2 LYS 95 11.523 -7.781 -6.960 867 HZ3 LYS 95 HZ3 LYS 95 11.586 -6.116 -6.658 868 H ASP 96 H ASP 96 8.505 -9.741 -4.072 869 HA ASP 96 HA ASP 96 10.327 -12.036 -4.244 870 HB2 ASP 96 HB3 ASP 96 11.032 -9.267 -3.228 871 HB3 ASP 96 HB2 ASP 96 12.074 -10.675 -3.120 872 HA PRO 97 HA PRO 97 8.861 -12.813 -0.126 873 HB2 PRO 97 HB3 PRO 97 11.560 -13.363 0.885 874 HB3 PRO 97 HB2 PRO 97 10.215 -14.479 0.638 875 HG2 PRO 97 HG3 PRO 97 12.407 -14.549 -0.914 876 HG3 PRO 97 HG2 PRO 97 10.794 -14.898 -1.562 877 HD2 PRO 97 HD3 PRO 97 12.384 -12.353 -1.718 878 HD3 PRO 97 HD2 PRO 97 11.484 -13.187 -3.002 879 H ASN 98 H ASN 98 10.703 -10.238 -0.840 880 HA ASN 98 HA ASN 98 10.469 -9.107 1.863 881 HB2 ASN 98 HB3 ASN 98 12.855 -9.556 1.178 882 HB3 ASN 98 HB2 ASN 98 12.628 -8.433 -0.155 883 HD21 ASN 98 HD21 ASN 98 11.444 -8.146 3.171 884 HD22 ASN 98 HD22 ASN 98 12.354 -6.721 3.549 885 H THR 99 H THR 99 9.207 -9.109 -1.127 886 HA THR 99 HA THR 99 8.456 -6.292 -1.012 887 HB THR 99 HB THR 99 9.503 -7.514 -3.572 888 HG1 THR 99 HG1 THR 99 11.381 -6.454 -3.189 889 HG21 THR 99 HG21 THR 99 9.369 -5.230 -4.422 890 HG22 THR 99 HG22 THR 99 8.752 -4.674 -2.867 891 HG23 THR 99 HG23 THR 99 7.789 -5.771 -3.855 892 H LEU 100 H LEU 100 6.343 -6.529 -0.765 893 HA LEU 100 HA LEU 100 4.769 -8.299 -2.492 894 HB2 LEU 100 HB3 LEU 100 4.436 -7.741 0.062 895 HB3 LEU 100 HB2 LEU 100 3.685 -6.285 -0.537 896 HG LEU 100 HG LEU 100 2.740 -9.095 -1.115 897 HD11 LEU 100 HD11 LEU 100 0.931 -8.603 0.400 898 HD12 LEU 100 HD12 LEU 100 1.561 -6.981 0.676 899 HD13 LEU 100 HD13 LEU 100 2.473 -8.385 1.231 900 HD21 LEU 100 HD21 LEU 100 1.459 -6.438 -1.744 901 HD22 LEU 100 HD22 LEU 100 0.740 -8.026 -2.008 902 HD23 LEU 100 HD23 LEU 100 2.172 -7.544 -2.918 903 H THR 101 H THR 101 3.363 -7.391 -4.182 904 HA THR 101 HA THR 101 3.755 -4.499 -4.549 905 HB THR 101 HB THR 101 3.688 -4.913 -7.028 906 HG1 THR 101 HG1 THR 101 3.637 -7.549 -6.089 907 HG21 THR 101 HG21 THR 101 5.758 -4.454 -5.742 908 HG22 THR 101 HG22 THR 101 6.029 -5.432 -7.183 909 HG23 THR 101 HG23 THR 101 6.008 -6.192 -5.591 910 H GLU 102 H GLU 102 2.071 -3.291 -5.176 911 HA GLU 102 HA GLU 102 -0.485 -4.667 -5.708 912 HB2 GLU 102 HB3 GLU 102 -0.724 -3.270 -3.746 913 HB3 GLU 102 HB2 GLU 102 0.021 -1.904 -4.571 914 HG2 GLU 102 HG3 GLU 102 -1.864 -1.783 -6.119 915 HG3 GLU 102 HG2 GLU 102 -2.604 -3.179 -5.333 916 H THR 103 H THR 103 -0.773 -4.779 -7.844 917 HA THR 103 HA THR 103 -0.057 -2.445 -9.477 918 HB THR 103 HB THR 103 -0.819 -5.234 -10.374 919 HG1 THR 103 HG1 THR 103 1.197 -5.681 -9.929 920 HG21 THR 103 HG21 THR 103 0.330 -2.900 -11.914 921 HG22 THR 103 HG22 THR 103 -1.322 -3.507 -12.038 922 HG23 THR 103 HG23 THR 103 0.028 -4.513 -12.561 923 H HIS 104 H HIS 104 -1.741 -1.061 -9.451 924 HA HIS 104 HA HIS 104 -4.419 -2.249 -9.633 925 HB2 HIS 104 HB3 HIS 104 -5.255 -0.140 -8.508 926 HB3 HIS 104 HB2 HIS 104 -4.338 -1.245 -7.501 927 HD1 HIS 104 HD1 HIS 104 -3.631 0.563 -5.819 928 HD2 HIS 104 HD2 HIS 104 -2.431 1.295 -9.704 929 HE1 HIS 104 HE1 HIS 104 -2.164 2.589 -5.689 930 HE2 HIS 104 HE2 HIS 104 -1.628 3.165 -8.078 931 H ILE 105 H ILE 105 -5.841 -1.547 -11.102 932 HA ILE 105 HA ILE 105 -4.932 0.479 -13.040 933 HB ILE 105 HB ILE 105 -5.955 -2.262 -13.787 934 HG12 ILE 105 HG13 ILE 105 -3.143 -1.169 -13.930 935 HG13 ILE 105 HG12 ILE 105 -3.709 -2.388 -12.794 936 HG21 ILE 105 HG21 ILE 105 -5.255 -1.630 -16.065 937 HG22 ILE 105 HG22 ILE 105 -4.850 -0.019 -15.472 938 HG23 ILE 105 HG23 ILE 105 -6.520 -0.581 -15.430 939 HD11 ILE 105 HD11 ILE 105 -4.165 -3.905 -14.627 940 HD12 ILE 105 HD12 ILE 105 -2.482 -3.373 -14.649 941 HD13 ILE 105 HD13 ILE 105 -3.643 -2.679 -15.781 942 H LYS 106 H LYS 106 -6.536 1.724 -13.817 943 HA LYS 106 HA LYS 106 -9.167 1.694 -12.913 944 HB2 LYS 106 HB3 LYS 106 -8.041 2.822 -15.472 945 HB3 LYS 106 HB2 LYS 106 -9.648 3.171 -14.863 946 HG2 LYS 106 HG3 LYS 106 -7.292 3.713 -13.129 947 HG3 LYS 106 HG2 LYS 106 -7.676 4.817 -14.451 948 HD2 LYS 106 HD3 LYS 106 -10.015 4.894 -13.518 949 HD3 LYS 106 HD2 LYS 106 -9.374 4.090 -12.081 950 HE2 LYS 106 HE3 LYS 106 -8.405 6.714 -13.216 951 HE3 LYS 106 HE2 LYS 106 -9.467 6.539 -11.826 952 HZ1 LYS 106 HZ1 LYS 106 -7.756 5.569 -10.567 953 HZ2 LYS 106 HZ2 LYS 106 -7.052 6.901 -11.333 954 HZ3 LYS 106 HZ3 LYS 106 -6.750 5.339 -11.920 955 H VAL 107 H VAL 107 -10.751 0.311 -13.272 956 HA VAL 107 HA VAL 107 -10.896 -1.502 -15.439 957 HB VAL 107 HB VAL 107 -13.156 -1.991 -14.745 958 HG11 VAL 107 HG11 VAL 107 -12.746 -2.301 -12.244 959 HG12 VAL 107 HG12 VAL 107 -11.174 -1.555 -12.557 960 HG13 VAL 107 HG13 VAL 107 -11.614 -3.056 -13.370 961 HG21 VAL 107 HG21 VAL 107 -12.967 0.452 -12.990 962 HG22 VAL 107 HG22 VAL 107 -14.285 -0.721 -12.976 963 HG23 VAL 107 HG23 VAL 107 -13.995 0.264 -14.411 964 H ASP 108 H ASP 108 -11.922 1.753 -14.981 965 HA ASP 108 HA ASP 108 -13.643 1.935 -17.249 966 HB2 ASP 108 HB3 ASP 108 -12.166 4.064 -15.678 967 HB3 ASP 108 HB2 ASP 108 -13.340 4.404 -16.942 968 H ASP 109 H ASP 109 -10.525 3.491 -16.690 969 HA ASP 109 HA ASP 109 -9.787 2.937 -19.476 970 HB2 ASP 109 HB3 ASP 109 -8.521 5.119 -19.444 971 HB3 ASP 109 HB2 ASP 109 -10.271 5.283 -19.405 972 HA PRO 110 HA PRO 110 -6.767 0.786 -16.888 973 HB2 PRO 110 HB3 PRO 110 -6.008 -0.930 -18.851 974 HB3 PRO 110 HB2 PRO 110 -7.470 -1.148 -17.880 975 HG2 PRO 110 HG3 PRO 110 -7.183 0.047 -20.612 976 HG3 PRO 110 HG2 PRO 110 -8.363 -1.137 -20.021 977 HD2 PRO 110 HD3 PRO 110 -8.994 1.442 -20.248 978 HD3 PRO 110 HD2 PRO 110 -9.615 0.453 -18.917 979 H THR 111 H THR 111 -6.324 3.120 -19.051 980 HA THR 111 HA THR 111 -3.557 2.737 -19.671 981 HB THR 111 HB THR 111 -3.648 5.194 -20.229 982 HG1 THR 111 HG1 THR 111 -5.313 5.852 -18.834 983 HG21 THR 111 HG21 THR 111 -5.764 3.400 -21.417 984 HG22 THR 111 HG22 THR 111 -4.078 3.506 -21.923 985 HG23 THR 111 HG23 THR 111 -5.157 4.880 -22.161 986 H ASP 112 H ASP 112 -5.426 3.908 -17.014 987 HA ASP 112 HA ASP 112 -3.210 5.087 -15.605 988 HB2 ASP 112 HB3 ASP 112 -5.545 5.765 -15.179 989 HB3 ASP 112 HB2 ASP 112 -5.904 4.140 -14.619 990 H VAL 113 H VAL 113 -1.598 3.573 -15.516 991 HA VAL 113 HA VAL 113 -2.165 1.114 -14.024 992 HB VAL 113 HB VAL 113 0.130 0.456 -15.169 993 HG11 VAL 113 HG11 VAL 113 -1.915 -0.798 -15.261 994 HG12 VAL 113 HG12 VAL 113 -1.198 -0.709 -16.873 995 HG13 VAL 113 HG13 VAL 113 -2.577 0.313 -16.460 996 HG21 VAL 113 HG21 VAL 113 0.410 2.552 -16.372 997 HG22 VAL 113 HG22 VAL 113 -1.147 2.317 -17.166 998 HG23 VAL 113 HG23 VAL 113 0.189 1.216 -17.500 999 H GLU 114 H GLU 114 -1.211 0.931 -12.120 1000 HA GLU 114 HA GLU 114 1.339 2.297 -11.677 1001 HB2 GLU 114 HB3 GLU 114 -0.429 3.950 -11.163 1002 HB3 GLU 114 HB2 GLU 114 -1.079 2.851 -9.961 1003 HG2 GLU 114 HG3 GLU 114 0.997 3.016 -8.683 1004 HG3 GLU 114 HG2 GLU 114 1.649 4.123 -9.895 1005 H THR 115 H THR 115 2.540 1.512 -9.961 1006 HA THR 115 HA THR 115 1.431 -0.761 -8.483 1007 HB THR 115 HB THR 115 4.151 -0.784 -9.812 1008 HG1 THR 115 HG1 THR 115 2.078 -2.554 -10.519 1009 HG21 THR 115 HG21 THR 115 2.639 -2.940 -8.332 1010 HG22 THR 115 HG22 THR 115 4.067 -2.088 -7.744 1011 HG23 THR 115 HG23 THR 115 4.187 -3.149 -9.149 1012 H TYR 116 H TYR 116 1.805 -0.586 -6.399 1013 HA TYR 116 HA TYR 116 4.104 1.017 -5.455 1014 HB2 TYR 116 HB3 TYR 116 1.709 0.116 -3.828 1015 HB3 TYR 116 HB2 TYR 116 3.019 1.146 -3.274 1016 HD1 TYR 116 HD1 TYR 116 3.167 2.945 -5.743 1017 HD2 TYR 116 HD2 TYR 116 -0.102 1.543 -3.403 1018 HE1 TYR 116 HE1 TYR 116 1.863 4.929 -6.375 1019 HE2 TYR 116 HE2 TYR 116 -1.408 3.526 -4.029 1020 HH TYR 116 HH TYR 116 -0.587 5.539 -6.563 1021 H GLU 117 H GLU 117 5.375 -0.036 -3.586 1022 HA GLU 117 HA GLU 117 5.148 -2.940 -3.750 1023 HB2 GLU 117 HB3 GLU 117 7.769 -1.432 -3.808 1024 HB3 GLU 117 HB2 GLU 117 7.523 -3.156 -4.034 1025 HG2 GLU 117 HG3 GLU 117 6.412 -2.736 -6.156 1026 HG3 GLU 117 HG2 GLU 117 6.595 -1.001 -5.921 1027 H TYR 118 H TYR 118 5.264 -3.847 -1.782 1028 HA TYR 118 HA TYR 118 5.859 -2.104 0.499 1029 HB2 TYR 118 HB3 TYR 118 4.477 -4.798 0.506 1030 HB3 TYR 118 HB2 TYR 118 4.580 -3.657 1.842 1031 HD1 TYR 118 HD1 TYR 118 3.520 -1.292 1.384 1032 HD2 TYR 118 HD2 TYR 118 2.555 -4.789 -0.819 1033 HE1 TYR 118 HE1 TYR 118 1.418 -0.262 0.665 1034 HE2 TYR 118 HE2 TYR 118 0.472 -3.773 -1.541 1035 HH TYR 118 HH TYR 118 -1.020 -2.082 -0.842 1036 H ARG 119 H ARG 119 7.967 -2.225 0.911 1037 HA ARG 119 HA ARG 119 9.276 -4.857 0.937 1038 HB2 ARG 119 HB3 ARG 119 10.403 -2.052 0.886 1039 HB3 ARG 119 HB2 ARG 119 11.391 -3.497 1.057 1040 HG2 ARG 119 HG3 ARG 119 10.734 -4.277 -1.112 1041 HG3 ARG 119 HG2 ARG 119 9.563 -2.969 -1.273 1042 HD2 ARG 119 HD3 ARG 119 11.640 -2.569 -2.547 1043 HD3 ARG 119 HD2 ARG 119 11.326 -1.331 -1.334 1044 HE ARG 119 HE ARG 119 13.131 -2.131 -0.067 1045 HH11 ARG 119 HH11 ARG 119 12.711 -3.961 -3.026 1046 HH12 ARG 119 HH12 ARG 119 14.314 -4.620 -2.994 1047 HH21 ARG 119 HH21 ARG 119 15.243 -2.989 -0.031 1048 HH22 ARG 119 HH22 ARG 119 15.752 -4.075 -1.286 1049 H ARG 120 H ARG 120 10.644 -5.403 2.752 1050 HA ARG 120 HA ARG 120 9.840 -4.007 5.216 1051 HB2 ARG 120 HB3 ARG 120 10.165 -6.899 4.611 1052 HB3 ARG 120 HB2 ARG 120 10.559 -6.343 6.231 1053 HG2 ARG 120 HG3 ARG 120 7.934 -5.812 4.872 1054 HG3 ARG 120 HG2 ARG 120 8.230 -7.175 5.948 1055 HD2 ARG 120 HD3 ARG 120 8.478 -4.256 6.669 1056 HD3 ARG 120 HD2 ARG 120 7.159 -5.329 7.133 1057 HE ARG 120 HE ARG 120 9.861 -6.074 7.963 1058 HH11 ARG 120 HH11 ARG 120 6.727 -4.780 8.813 1059 HH12 ARG 120 HH12 ARG 120 6.970 -4.957 10.519 1060 HH21 ARG 120 HH21 ARG 120 10.195 -6.302 10.211 1061 HH22 ARG 120 HH22 ARG 120 8.947 -5.819 11.324 1062 H ASP 121 H ASP 121 11.367 -2.873 6.106 1063 HA ASP 121 HA ASP 121 14.062 -4.021 6.276 1064 HB2 ASP 121 HB3 ASP 121 14.150 -2.239 4.595 1065 HB3 ASP 121 HB2 ASP 121 13.413 -1.115 5.733 1066 H GLY 122 H GLY 122 14.619 -4.312 8.314 1067 HA2 GLY 122 HA3 GLY 122 14.702 -4.078 10.602 1068 HA3 GLY 122 HA2 GLY 122 14.081 -2.441 10.397 1069 H ASP 123 H ASP 123 12.199 -2.119 11.371 1070 HA ASP 123 HA ASP 123 10.213 -4.288 11.219 1071 HB2 ASP 123 HB3 ASP 123 11.061 -3.734 13.554 1072 HB3 ASP 123 HB2 ASP 123 10.272 -2.169 13.372 1073 H TYR 124 H TYR 124 10.943 -1.929 9.485 1074 HA TYR 124 HA TYR 124 8.441 -0.408 9.643 1075 HB2 TYR 124 HB3 TYR 124 11.061 0.166 8.261 1076 HB3 TYR 124 HB2 TYR 124 9.608 1.126 8.002 1077 HD1 TYR 124 HD1 TYR 124 12.315 0.325 10.299 1078 HD2 TYR 124 HD2 TYR 124 8.715 2.532 9.804 1079 HE1 TYR 124 HE1 TYR 124 12.897 1.688 12.262 1080 HE2 TYR 124 HE2 TYR 124 9.279 3.899 11.765 1081 HH TYR 124 HH TYR 124 10.707 3.614 13.859 1082 H LEU 125 H LEU 125 6.901 -0.606 8.156 1083 HA LEU 125 HA LEU 125 7.263 -2.323 5.874 1084 HB2 LEU 125 HB3 LEU 125 5.150 -2.091 7.293 1085 HB3 LEU 125 HB2 LEU 125 4.934 -0.518 6.569 1086 HG LEU 125 HG LEU 125 3.529 -2.391 5.631 1087 HD11 LEU 125 HD11 LEU 125 3.880 -0.278 4.434 1088 HD12 LEU 125 HD12 LEU 125 3.693 -1.653 3.347 1089 HD13 LEU 125 HD13 LEU 125 5.298 -0.978 3.648 1090 HD21 LEU 125 HD21 LEU 125 4.545 -3.906 4.044 1091 HD22 LEU 125 HD22 LEU 125 5.263 -4.115 5.641 1092 HD23 LEU 125 HD23 LEU 125 6.139 -3.234 4.389 1093 H VAL 126 H VAL 126 8.220 -1.561 4.093 1094 HA VAL 126 HA VAL 126 8.514 1.353 3.863 1095 HB VAL 126 HB VAL 126 10.218 -0.793 2.583 1096 HG11 VAL 126 HG11 VAL 126 11.756 1.059 2.090 1097 HG12 VAL 126 HG12 VAL 126 10.592 2.199 2.768 1098 HG13 VAL 126 HG13 VAL 126 10.187 1.283 1.315 1099 HG21 VAL 126 HG21 VAL 126 10.490 -0.826 4.999 1100 HG22 VAL 126 HG22 VAL 126 10.768 0.916 5.010 1101 HG23 VAL 126 HG23 VAL 126 11.930 -0.159 4.228 1102 H MET 127 H MET 127 7.044 2.145 2.554 1103 HA MET 127 HA MET 127 6.089 0.654 0.273 1104 HB2 MET 127 HB3 MET 127 4.356 1.911 1.108 1105 HB3 MET 127 HB2 MET 127 5.405 3.245 1.566 1106 HG2 MET 127 HG3 MET 127 5.475 4.086 -0.622 1107 HG3 MET 127 HG2 MET 127 4.824 2.597 -1.302 1108 HE1 MET 127 HE1 MET 127 2.414 2.083 -1.639 1109 HE2 MET 127 HE2 MET 127 1.114 2.701 -0.621 1110 HE3 MET 127 HE3 MET 127 2.405 1.727 0.086 1111 H LYS 128 H LYS 128 6.951 0.680 -1.651 1112 HA LYS 128 HA LYS 128 8.758 2.893 -2.362 1113 HB2 LYS 128 HB3 LYS 128 10.077 0.891 -2.120 1114 HB3 LYS 128 HB2 LYS 128 8.930 -0.046 -3.060 1115 HG2 LYS 128 HG3 LYS 128 10.931 0.435 -4.346 1116 HG3 LYS 128 HG2 LYS 128 9.521 1.217 -5.061 1117 HD2 LYS 128 HD3 LYS 128 10.171 3.343 -4.088 1118 HD3 LYS 128 HD2 LYS 128 11.536 2.577 -3.271 1119 HE2 LYS 128 HE3 LYS 128 11.139 2.773 -6.256 1120 HE3 LYS 128 HE2 LYS 128 12.238 3.761 -5.296 1121 HZ1 LYS 128 HZ1 LYS 128 12.396 0.816 -5.624 1122 HZ2 LYS 128 HZ2 LYS 128 13.442 1.753 -4.687 1123 HZ3 LYS 128 HZ3 LYS 128 13.407 1.950 -6.366 1124 H MET 129 H MET 129 8.231 3.985 -4.108 1125 HA MET 129 HA MET 129 6.430 2.879 -6.098 1126 HB2 MET 129 HB3 MET 129 4.824 4.757 -5.803 1127 HB3 MET 129 HB2 MET 129 4.890 3.703 -4.395 1128 HG2 MET 129 HG3 MET 129 6.720 5.470 -3.651 1129 HG3 MET 129 HG2 MET 129 5.772 6.497 -4.720 1130 HE1 MET 129 HE1 MET 129 2.793 5.400 -4.303 1131 HE2 MET 129 HE2 MET 129 3.304 7.090 -4.396 1132 HE3 MET 129 HE3 MET 129 2.283 6.549 -3.059 1133 H SER 130 H SER 130 6.784 3.798 -8.068 1134 HA SER 130 HA SER 130 8.395 6.239 -8.188 1135 HB2 SER 130 HB3 SER 130 9.186 3.858 -9.842 1136 HB3 SER 130 HB2 SER 130 10.120 5.304 -9.468 1137 HG SER 130 HG SER 130 9.368 3.292 -7.611 1138 H TRP 131 H TRP 131 7.966 7.512 -9.886 1139 HA TRP 131 HA TRP 131 6.335 6.481 -12.096 1140 HB2 TRP 131 HB3 TRP 131 4.890 7.472 -10.220 1141 HB3 TRP 131 HB2 TRP 131 5.606 9.026 -10.643 1142 HD1 TRP 131 HD1 TRP 131 4.867 10.120 -12.970 1143 HE1 TRP 131 HE1 TRP 131 2.820 9.717 -14.483 1144 HE3 TRP 131 HE3 TRP 131 3.336 5.639 -11.065 1145 HZ2 TRP 131 HZ2 TRP 131 0.829 7.749 -14.821 1146 HZ3 TRP 131 HZ3 TRP 131 1.352 4.561 -12.037 1147 HH2 TRP 131 HH2 TRP 131 0.123 5.595 -13.875 1148 H LYS 132 H LYS 132 7.075 7.184 -13.967 1149 HA LYS 132 HA LYS 132 8.451 8.172 -15.459 1150 HB2 LYS 132 HB3 LYS 132 7.003 10.371 -14.090 1151 HB3 LYS 132 HB2 LYS 132 8.326 10.828 -15.153 1152 HG2 LYS 132 HG3 LYS 132 6.136 10.855 -16.273 1153 HG3 LYS 132 HG2 LYS 132 7.271 9.733 -17.019 1154 HD2 LYS 132 HD3 LYS 132 6.199 7.870 -15.877 1155 HD3 LYS 132 HD2 LYS 132 5.088 8.982 -15.078 1156 HE2 LYS 132 HE3 LYS 132 4.176 9.637 -17.242 1157 HE3 LYS 132 HE2 LYS 132 5.303 8.555 -18.054 1158 HZ1 LYS 132 HZ1 LYS 132 3.186 7.717 -16.152 1159 HZ2 LYS 132 HZ2 LYS 132 4.259 6.684 -16.945 1160 HZ3 LYS 132 HZ3 LYS 132 3.115 7.557 -17.832 1161 H GLY 133 H GLY 133 9.955 7.200 -13.422 1162 HA2 GLY 133 HA3 GLY 133 12.226 7.291 -12.956 1163 HA3 GLY 133 HA2 GLY 133 12.276 8.901 -13.652 1164 H VAL 134 H VAL 134 9.827 9.213 -11.566 1165 HA VAL 134 HA VAL 134 11.603 10.236 -9.482 1166 HB VAL 134 HB VAL 134 8.606 10.563 -9.619 1167 HG11 VAL 134 HG11 VAL 134 9.616 11.018 -7.452 1168 HG12 VAL 134 HG12 VAL 134 9.022 12.509 -8.190 1169 HG13 VAL 134 HG13 VAL 134 10.748 12.142 -8.201 1170 HG21 VAL 134 HG21 VAL 134 9.078 12.802 -10.596 1171 HG22 VAL 134 HG22 VAL 134 9.451 11.452 -11.668 1172 HG23 VAL 134 HG23 VAL 134 10.754 12.297 -10.826 1173 H SER 135 H SER 135 12.168 8.682 -8.083 1174 HA SER 135 HA SER 135 10.178 6.754 -7.198 1175 HB2 SER 135 HB3 SER 135 13.060 6.738 -6.397 1176 HB3 SER 135 HB2 SER 135 11.958 5.398 -6.604 1177 HG SER 135 HG SER 135 13.486 6.730 -8.488 1178 H THR 136 H THR 136 9.744 6.432 -5.020 1179 HA THR 136 HA THR 136 11.008 8.115 -3.030 1180 HB THR 136 HB THR 136 9.235 9.602 -3.723 1181 HG1 THR 136 HG1 THR 136 7.911 8.841 -1.495 1182 HG21 THR 136 HG21 THR 136 6.870 8.968 -3.582 1183 HG22 THR 136 HG22 THR 136 7.337 7.318 -3.172 1184 HG23 THR 136 HG23 THR 136 7.731 7.977 -4.758 1185 H SER 137 H SER 137 10.978 7.255 -1.027 1186 HA SER 137 HA SER 137 9.491 4.750 -0.660 1187 HB2 SER 137 HB3 SER 137 11.932 5.747 0.829 1188 HB3 SER 137 HB2 SER 137 11.146 4.192 1.057 1189 HG SER 137 HG SER 137 11.866 4.780 -1.546 1190 H ARG 138 H ARG 138 7.834 4.766 0.698 1191 HA ARG 138 HA ARG 138 7.670 6.941 2.678 1192 HB2 ARG 138 HB3 ARG 138 5.449 5.210 1.564 1193 HB3 ARG 138 HB2 ARG 138 5.246 6.497 2.745 1194 HG2 ARG 138 HG3 ARG 138 6.594 7.673 0.603 1195 HG3 ARG 138 HG2 ARG 138 5.363 6.640 -0.126 1196 HD2 ARG 138 HD3 ARG 138 4.805 8.623 2.069 1197 HD3 ARG 138 HD2 ARG 138 4.641 8.994 0.357 1198 HE ARG 138 HE ARG 138 3.122 6.727 0.800 1199 HH11 ARG 138 HH11 ARG 138 3.195 10.027 1.983 1200 HH12 ARG 138 HH12 ARG 138 1.480 10.109 2.225 1201 HH21 ARG 138 HH21 ARG 138 0.848 6.836 1.121 1202 HH22 ARG 138 HH22 ARG 138 0.158 8.313 1.739 1203 H TYR 139 H TYR 139 8.164 6.373 4.674 1204 HA TYR 139 HA TYR 139 8.406 3.533 5.261 1205 HB2 TYR 139 HB3 TYR 139 9.478 5.993 6.640 1206 HB3 TYR 139 HB2 TYR 139 9.661 4.367 7.293 1207 HD1 TYR 139 HD1 TYR 139 10.739 6.703 4.691 1208 HD2 TYR 139 HD2 TYR 139 11.108 2.743 6.201 1209 HE1 TYR 139 HE1 TYR 139 12.744 6.367 3.307 1210 HE2 TYR 139 HE2 TYR 139 13.112 2.396 4.823 1211 HH TYR 139 HH TYR 139 14.739 4.946 3.257 1212 H TYR 140 H TYR 140 6.943 2.487 6.332 1213 HA TYR 140 HA TYR 140 5.160 3.956 8.155 1214 HB2 TYR 140 HB3 TYR 140 4.743 1.377 6.631 1215 HB3 TYR 140 HB2 TYR 140 3.629 1.983 7.846 1216 HD1 TYR 140 HD1 TYR 140 1.947 3.533 7.255 1217 HD2 TYR 140 HD2 TYR 140 5.162 2.787 4.570 1218 HE1 TYR 140 HE1 TYR 140 0.796 4.845 5.518 1219 HE2 TYR 140 HE2 TYR 140 4.019 4.092 2.831 1220 HH TYR 140 HH TYR 140 1.281 6.059 3.476 1221 H LYS 141 H LYS 141 5.056 3.344 10.247 1222 HA LYS 141 HA LYS 141 6.425 0.866 11.045 1223 HB2 LYS 141 HB3 LYS 141 6.794 2.062 13.278 1224 HB3 LYS 141 HB2 LYS 141 7.831 2.514 11.937 1225 HG2 LYS 141 HG3 LYS 141 7.257 4.537 12.935 1226 HG3 LYS 141 HG2 LYS 141 6.187 4.425 11.537 1227 HD2 LYS 141 HD3 LYS 141 4.911 5.171 13.436 1228 HD3 LYS 141 HD2 LYS 141 4.428 3.535 13.010 1229 HE2 LYS 141 HE3 LYS 141 5.714 2.604 14.786 1230 HE3 LYS 141 HE2 LYS 141 6.429 4.174 15.162 1231 HZ1 LYS 141 HZ1 LYS 141 3.561 3.439 15.459 1232 HZ2 LYS 141 HZ2 LYS 141 4.216 4.967 15.782 1233 HZ3 LYS 141 HZ3 LYS 141 4.676 3.639 16.717 1234 H LYS 142 H LYS 142 5.429 -0.060 13.108 1235 HA LYS 142 HA LYS 142 2.754 -0.529 12.817 1236 HB2 LYS 142 HB3 LYS 142 4.366 -0.516 15.360 1237 HB3 LYS 142 HB2 LYS 142 2.719 -1.125 15.260 1238 HG2 LYS 142 HG3 LYS 142 3.424 -2.794 13.627 1239 HG3 LYS 142 HG2 LYS 142 5.076 -2.180 13.710 1240 HD2 LYS 142 HD3 LYS 142 5.261 -2.816 16.015 1241 HD3 LYS 142 HD2 LYS 142 3.553 -3.248 16.082 1242 HE2 LYS 142 HE3 LYS 142 4.989 -5.224 15.918 1243 HE3 LYS 142 HE2 LYS 142 3.925 -5.067 14.522 1244 HZ1 LYS 142 HZ1 LYS 142 6.254 -5.686 13.995 1245 HZ2 LYS 142 HZ2 LYS 142 6.758 -4.164 14.539 1246 HZ3 LYS 142 HZ3 LYS 142 5.723 -4.293 13.207 1247 H GLN 143 H GLN 143 0.799 0.191 13.961 1248 HA GLN 143 HA GLN 143 0.579 2.872 14.684 1249 HB2 GLN 143 HB3 GLN 143 -1.041 0.496 15.626 1250 HB3 GLN 143 HB2 GLN 143 -1.523 2.171 15.829 1251 HG2 GLN 143 HG3 GLN 143 -0.907 1.130 13.114 1252 HG3 GLN 143 HG2 GLN 143 -2.448 0.742 13.868 1253 HE21 GLN 143 HE21 GLN 143 -1.746 2.361 11.541 1254 HE22 GLN 143 HE22 GLN 143 -2.495 3.897 11.799 1255 H21 OLA1001 H21 OLA1001 -0.745 5.333 -2.365 1256 H22 OLA1001 H22 OLA1001 0.268 6.555 -1.600 1257 H31 OLA1001 H31 OLA1001 -2.693 6.356 -1.110 1258 H32 OLA1001 H32 OLA1001 -2.002 7.326 -2.410 1259 H41 OLA1001 H41 OLA1001 -0.766 8.658 -0.816 1260 H42 OLA1001 H42 OLA1001 -1.324 7.638 0.509 1261 H51 OLA1001 H51 OLA1001 -3.146 9.258 -1.265 1262 H52 OLA1001 H52 OLA1001 -2.552 9.795 0.307 1263 H61 OLA1001 H61 OLA1001 -3.583 7.802 1.337 1264 H62 OLA1001 H62 OLA1001 -4.247 7.364 -0.236 1265 H71 OLA1001 H71 OLA1001 -4.830 9.960 1.176 1266 H72 OLA1001 H72 OLA1001 -5.856 8.532 1.271 1267 H81 OLA1001 H81 OLA1001 -6.917 9.501 -0.448 1268 H82 OLA1001 H82 OLA1001 -5.641 8.741 -1.381 1269 H9 OLA1001 H9 OLA1001 -4.627 11.276 -0.702 1270 H10 OLA1001 H10 OLA1001 -5.704 12.348 -2.539 1271 H111 OLA1001 H111 OLA1001 -8.096 11.313 -2.605 1272 H112 OLA1001 H112 OLA1001 -7.286 9.760 -2.701 1273 H121 OLA1001 H121 OLA1001 -7.194 11.990 -4.715 1274 H122 OLA1001 H122 OLA1001 -7.953 10.411 -4.897 1275 H131 OLA1001 H131 OLA1001 -5.001 10.977 -4.630 1276 H132 OLA1001 H132 OLA1001 -5.843 10.434 -6.082 1277 H141 OLA1001 H141 OLA1001 -6.408 8.329 -4.992 1278 H142 OLA1001 H142 OLA1001 -5.623 8.873 -3.512 1279 H151 OLA1001 H151 OLA1001 -4.247 8.488 -6.163 1280 H152 OLA1001 H152 OLA1001 -4.207 7.345 -4.818 1281 H161 OLA1001 H161 OLA1001 -3.193 9.104 -3.405 1282 H162 OLA1001 H162 OLA1001 -3.157 10.167 -4.810 1283 H171 OLA1001 H171 OLA1001 -1.670 8.675 -5.970 1284 H172 OLA1001 H172 OLA1001 -1.777 7.499 -4.658 1285 H181 OLA1001 H181 OLA1001 -0.961 9.768 -3.365 1286 H182 OLA1001 H182 OLA1001 -0.108 9.866 -4.914 1287 H183 OLA1001 H183 OLA1001 0.084 8.439 -3.889 Start of MODEL 18 1 H1 MET -11 H1 MET -11 4.288 -9.745 -15.276 2 H2 MET -11 H2 MET -11 2.599 -9.732 -15.299 3 H3 MET -11 H3 MET -11 3.453 -10.549 -16.506 4 HA MET -11 HA MET -11 4.301 -12.114 -14.898 5 HB2 MET -11 HB3 MET -11 4.193 -10.445 -13.006 6 HB3 MET -11 HB2 MET -11 2.460 -10.711 -12.946 7 HG2 MET -11 HG3 MET -11 4.464 -12.918 -12.591 8 HG3 MET -11 HG2 MET -11 3.860 -11.949 -11.253 9 HE1 MET -11 HE1 MET -11 0.776 -11.522 -12.115 10 HE2 MET -11 HE2 MET -11 1.341 -11.897 -10.488 11 HE3 MET -11 HE3 MET -11 0.059 -12.860 -11.218 12 H ARG -10 H ARG -10 3.320 -13.936 -15.517 13 HA ARG -10 HA ARG -10 0.529 -14.386 -15.059 14 HB2 ARG -10 HB3 ARG -10 0.501 -13.051 -17.170 15 HB3 ARG -10 HB2 ARG -10 1.477 -14.298 -17.929 16 HG2 ARG -10 HG3 ARG -10 -0.306 -15.919 -17.616 17 HG3 ARG -10 HG2 ARG -10 -1.284 -14.700 -16.793 18 HD2 ARG -10 HD3 ARG -10 -1.216 -13.325 -18.847 19 HD3 ARG -10 HD2 ARG -10 -0.340 -14.620 -19.655 20 HE ARG -10 HE ARG -10 -2.555 -15.878 -18.795 21 HH11 ARG -10 HH11 ARG -10 -2.075 -12.887 -20.534 22 HH12 ARG -10 HH12 ARG -10 -3.563 -13.006 -21.414 23 HH21 ARG -10 HH21 ARG -10 -4.522 -16.044 -19.948 24 HH22 ARG -10 HH22 ARG -10 -4.962 -14.803 -21.075 25 H GLY -9 H GLY -9 0.787 -16.319 -14.134 26 HA2 GLY -9 HA3 GLY -9 2.184 -18.390 -15.708 27 HA3 GLY -9 HA2 GLY -9 2.410 -18.256 -13.969 28 H SER -8 H SER -8 -0.397 -18.217 -16.158 29 HA SER -8 HA SER -8 -2.071 -19.481 -14.241 30 HB2 SER -8 HB3 SER -8 -3.656 -19.616 -16.248 31 HB3 SER -8 HB2 SER -8 -3.133 -18.006 -15.758 32 HG SER -8 HG SER -8 -3.030 -18.677 -18.106 33 H HIS -7 H HIS -7 -0.256 -20.583 -17.036 34 HA HIS -7 HA HIS -7 -1.419 -23.204 -17.053 35 HB2 HIS -7 HB3 HIS -7 1.030 -22.067 -18.414 36 HB3 HIS -7 HB2 HIS -7 0.477 -23.723 -18.636 37 HD1 HIS -7 HD1 HIS -7 -0.812 -23.976 -20.729 38 HD2 HIS -7 HD2 HIS -7 -1.338 -20.211 -19.048 39 HE1 HIS -7 HE1 HIS -7 -2.342 -22.744 -22.293 40 HE2 HIS -7 HE2 HIS -7 -2.536 -20.431 -21.325 41 H HIS -6 H HIS -6 -1.098 -24.562 -15.446 42 HA HIS -6 HA HIS -6 -0.105 -25.909 -13.920 43 HB2 HIS -6 HB3 HIS -6 2.471 -25.162 -15.318 44 HB3 HIS -6 HB2 HIS -6 2.280 -26.472 -14.160 45 HD1 HIS -6 HD1 HIS -6 2.788 -26.211 -17.526 46 HD2 HIS -6 HD2 HIS -6 -0.197 -28.092 -15.325 47 HE1 HIS -6 HE1 HIS -6 1.822 -27.963 -19.051 48 HE2 HIS -6 HE2 HIS -6 0.149 -29.203 -17.633 49 H HIS -5 H HIS -5 -0.815 -24.226 -12.424 50 HA HIS -5 HA HIS -5 1.474 -22.862 -11.195 51 HB2 HIS -5 HB3 HIS -5 -0.134 -21.249 -10.225 52 HB3 HIS -5 HB2 HIS -5 -0.116 -21.224 -11.979 53 HD1 HIS -5 HD1 HIS -5 -2.266 -22.024 -13.202 54 HD2 HIS -5 HD2 HIS -5 -2.545 -22.033 -9.048 55 HE1 HIS -5 HE1 HIS -5 -4.714 -22.259 -12.684 56 HE2 HIS -5 HE2 HIS -5 -4.868 -22.131 -10.175 57 H HIS -4 H HIS -4 1.321 -25.422 -10.555 58 HA HIS -4 HA HIS -4 -0.261 -25.774 -8.148 59 HB2 HIS -4 HB3 HIS -4 1.722 -27.578 -9.542 60 HB3 HIS -4 HB2 HIS -4 0.930 -28.001 -8.030 61 HD1 HIS -4 HD1 HIS -4 -1.617 -28.536 -8.132 62 HD2 HIS -4 HD2 HIS -4 0.134 -27.791 -11.827 63 HE1 HIS -4 HE1 HIS -4 -3.279 -29.326 -9.842 64 HE2 HIS -4 HE2 HIS -4 -2.267 -28.718 -12.061 65 H HIS -3 H HIS -3 3.066 -25.135 -9.053 66 HA HIS -3 HA HIS -3 4.099 -25.285 -6.388 67 HB2 HIS -3 HB3 HIS -3 5.188 -23.801 -8.796 68 HB3 HIS -3 HB2 HIS -3 6.055 -24.075 -7.293 69 HD1 HIS -3 HD1 HIS -3 5.490 -25.508 -10.572 70 HD2 HIS -3 HD2 HIS -3 6.564 -26.934 -6.820 71 HE1 HIS -3 HE1 HIS -3 6.488 -27.776 -10.975 72 HE2 HIS -3 HE2 HIS -3 7.036 -28.664 -8.682 73 H HIS -2 H HIS -2 3.063 -22.670 -8.530 74 HA HIS -2 HA HIS -2 2.982 -20.841 -6.246 75 HB2 HIS -2 HB3 HIS -2 4.064 -20.122 -8.411 76 HB3 HIS -2 HB2 HIS -2 2.473 -20.203 -9.163 77 HD1 HIS -2 HD1 HIS -2 0.828 -18.294 -8.658 78 HD2 HIS -2 HD2 HIS -2 4.435 -17.967 -6.619 79 HE1 HIS -2 HE1 HIS -2 0.846 -15.980 -7.682 80 HE2 HIS -2 HE2 HIS -2 3.113 -15.746 -6.617 81 H GLY -1 H GLY -1 1.173 -22.707 -5.854 82 HA2 GLY -1 HA3 GLY -1 -1.379 -22.139 -7.008 83 HA3 GLY -1 HA2 GLY -1 -1.084 -23.105 -5.567 84 H SER 0 H SER 0 -0.227 -21.688 -3.684 85 HA SER 0 HA SER 0 -1.229 -18.972 -3.672 86 HB2 SER 0 HB3 SER 0 -2.208 -21.015 -1.665 87 HB3 SER 0 HB2 SER 0 -2.540 -19.284 -1.617 88 HG SER 0 HG SER 0 -3.217 -20.151 -4.029 89 H LYS 1 H LYS 1 0.527 -17.922 -3.020 90 HA LYS 1 HA LYS 1 2.273 -19.100 -1.023 91 HB2 LYS 1 HB3 LYS 1 2.433 -16.405 -2.380 92 HB3 LYS 1 HB2 LYS 1 3.669 -17.105 -1.350 93 HG2 LYS 1 HG3 LYS 1 2.743 -18.209 -3.992 94 HG3 LYS 1 HG2 LYS 1 4.233 -17.313 -3.711 95 HD2 LYS 1 HD3 LYS 1 3.663 -19.816 -2.167 96 HD3 LYS 1 HD2 LYS 1 4.282 -19.914 -3.812 97 HE2 LYS 1 HE3 LYS 1 6.162 -20.026 -2.381 98 HE3 LYS 1 HE2 LYS 1 6.167 -18.414 -3.083 99 HZ1 LYS 1 HZ1 LYS 1 5.164 -19.083 -0.371 100 HZ2 LYS 1 HZ2 LYS 1 5.277 -17.536 -1.038 101 HZ3 LYS 1 HZ3 LYS 1 6.677 -18.417 -0.708 102 H THR 2 H THR 2 2.384 -18.499 1.075 103 HA THR 2 HA THR 2 0.187 -16.846 2.034 104 HB THR 2 HB THR 2 2.054 -18.188 3.919 105 HG1 THR 2 HG1 THR 2 0.183 -19.574 2.243 106 HG21 THR 2 HG21 THR 2 -0.953 -18.015 3.725 107 HG22 THR 2 HG22 THR 2 0.074 -16.972 4.709 108 HG23 THR 2 HG23 THR 2 -0.046 -18.694 5.076 109 H LEU 3 H LEU 3 0.466 -14.856 2.749 110 HA LEU 3 HA LEU 3 2.717 -13.322 2.387 111 HB2 LEU 3 HB3 LEU 3 0.183 -13.006 3.783 112 HB3 LEU 3 HB2 LEU 3 1.477 -12.081 4.513 113 HG LEU 3 HG LEU 3 0.501 -11.866 1.663 114 HD11 LEU 3 HD11 LEU 3 -0.151 -9.630 2.347 115 HD12 LEU 3 HD12 LEU 3 0.461 -9.939 3.973 116 HD13 LEU 3 HD13 LEU 3 -0.930 -10.841 3.366 117 HD21 LEU 3 HD21 LEU 3 2.853 -11.512 1.598 118 HD22 LEU 3 HD22 LEU 3 2.809 -10.554 3.078 119 HD23 LEU 3 HD23 LEU 3 2.094 -9.920 1.594 120 HA PRO 4 HA PRO 4 5.333 -14.479 5.840 121 HB2 PRO 4 HB3 PRO 4 7.144 -12.448 5.443 122 HB3 PRO 4 HB2 PRO 4 7.201 -14.000 4.606 123 HG2 PRO 4 HG3 PRO 4 6.222 -11.363 3.650 124 HG3 PRO 4 HG2 PRO 4 7.037 -12.655 2.752 125 HD2 PRO 4 HD3 PRO 4 4.346 -12.164 2.629 126 HD3 PRO 4 HD2 PRO 4 5.072 -13.755 2.326 127 H ASP 5 H ASP 5 5.232 -13.821 7.899 128 HA ASP 5 HA ASP 5 3.299 -12.005 8.680 129 HB2 ASP 5 HB3 ASP 5 4.052 -12.357 10.956 130 HB3 ASP 5 HB2 ASP 5 4.095 -13.878 10.073 131 H LYS 6 H LYS 6 6.573 -11.348 7.863 132 HA LYS 6 HA LYS 6 7.089 -9.016 9.232 133 HB2 LYS 6 HB3 LYS 6 7.748 -9.598 6.344 134 HB3 LYS 6 HB2 LYS 6 8.513 -8.378 7.346 135 HG2 LYS 6 HG3 LYS 6 9.397 -10.119 8.805 136 HG3 LYS 6 HG2 LYS 6 8.627 -11.348 7.800 137 HD2 LYS 6 HD3 LYS 6 9.957 -10.610 5.882 138 HD3 LYS 6 HD2 LYS 6 10.724 -9.380 6.884 139 HE2 LYS 6 HE3 LYS 6 12.172 -11.317 6.634 140 HE3 LYS 6 HE2 LYS 6 11.663 -11.129 8.312 141 HZ1 LYS 6 HZ1 LYS 6 10.090 -12.882 8.050 142 HZ2 LYS 6 HZ2 LYS 6 11.580 -13.442 7.484 143 HZ3 LYS 6 HZ3 LYS 6 10.380 -12.984 6.387 144 H PHE 7 H PHE 7 4.824 -9.484 6.541 145 HA PHE 7 HA PHE 7 4.571 -6.583 6.239 146 HB2 PHE 7 HB3 PHE 7 3.375 -8.855 4.640 147 HB3 PHE 7 HB2 PHE 7 3.123 -7.149 4.299 148 HD1 PHE 7 HD1 PHE 7 5.539 -5.836 4.279 149 HD2 PHE 7 HD2 PHE 7 4.825 -9.893 3.221 150 HE1 PHE 7 HE1 PHE 7 7.554 -5.818 2.874 151 HE2 PHE 7 HE2 PHE 7 6.843 -9.883 1.814 152 HZ PHE 7 HZ PHE 7 8.196 -7.851 1.624 153 H LEU 8 H LEU 8 3.337 -8.711 8.333 154 HA LEU 8 HA LEU 8 0.540 -7.970 7.920 155 HB2 LEU 8 HB3 LEU 8 1.742 -10.166 9.595 156 HB3 LEU 8 HB2 LEU 8 0.023 -9.854 9.410 157 HG LEU 8 HG LEU 8 1.894 -10.631 7.170 158 HD11 LEU 8 HD11 LEU 8 -0.247 -12.271 8.502 159 HD12 LEU 8 HD12 LEU 8 1.478 -12.427 8.824 160 HD13 LEU 8 HD13 LEU 8 0.847 -12.779 7.213 161 HD21 LEU 8 HD21 LEU 8 -0.204 -10.939 5.903 162 HD22 LEU 8 HD22 LEU 8 0.086 -9.262 6.366 163 HD23 LEU 8 HD23 LEU 8 -1.092 -10.230 7.253 164 H GLY 9 H GLY 9 -0.739 -7.266 9.615 165 HA2 GLY 9 HA3 GLY 9 -0.922 -6.609 11.973 166 HA3 GLY 9 HA2 GLY 9 0.754 -6.088 11.874 167 H THR 10 H THR 10 -0.521 -4.146 12.810 168 HA THR 10 HA THR 10 -1.520 -2.482 10.614 169 HB THR 10 HB THR 10 -1.772 -2.022 13.593 170 HG1 THR 10 HG1 THR 10 -3.213 -3.567 11.808 171 HG21 THR 10 HG21 THR 10 -3.126 -0.713 11.236 172 HG22 THR 10 HG22 THR 10 -1.910 0.021 12.275 173 HG23 THR 10 HG23 THR 10 -3.493 -0.399 12.930 174 H PHE 11 H PHE 11 -0.232 -0.976 9.828 175 HA PHE 11 HA PHE 11 2.088 -0.084 11.424 176 HB2 PHE 11 HB3 PHE 11 1.779 -0.066 8.411 177 HB3 PHE 11 HB2 PHE 11 3.221 0.362 9.311 178 HD1 PHE 11 HD1 PHE 11 4.832 -1.252 9.804 179 HD2 PHE 11 HD2 PHE 11 0.952 -2.470 8.549 180 HE1 PHE 11 HE1 PHE 11 5.614 -3.579 9.661 181 HE2 PHE 11 HE2 PHE 11 1.729 -4.799 8.402 182 HZ PHE 11 HZ PHE 11 4.110 -5.331 8.839 183 H LYS 12 H LYS 12 2.132 2.111 12.005 184 HA LYS 12 HA LYS 12 0.362 3.838 10.420 185 HB2 LYS 12 HB3 LYS 12 0.596 5.497 12.205 186 HB3 LYS 12 HB2 LYS 12 -0.024 3.972 12.802 187 HG2 LYS 12 HG3 LYS 12 1.453 4.556 14.446 188 HG3 LYS 12 HG2 LYS 12 2.448 3.504 13.442 189 HD2 LYS 12 HD3 LYS 12 3.689 5.494 14.096 190 HD3 LYS 12 HD2 LYS 12 3.421 5.484 12.354 191 HE2 LYS 12 HE3 LYS 12 3.065 7.708 13.248 192 HE3 LYS 12 HE2 LYS 12 1.549 7.048 12.651 193 HZ1 LYS 12 HZ1 LYS 12 1.190 8.121 14.746 194 HZ2 LYS 12 HZ2 LYS 12 2.407 7.213 15.485 195 HZ3 LYS 12 HZ3 LYS 12 0.992 6.456 14.959 196 H LEU 13 H LEU 13 1.076 5.377 9.120 197 HA LEU 13 HA LEU 13 3.631 5.450 8.089 198 HB2 LEU 13 HB3 LEU 13 1.702 6.376 6.945 199 HB3 LEU 13 HB2 LEU 13 1.543 7.623 8.164 200 HG LEU 13 HG LEU 13 3.754 8.532 7.447 201 HD11 LEU 13 HD11 LEU 13 3.440 6.547 5.202 202 HD12 LEU 13 HD12 LEU 13 4.677 6.509 6.459 203 HD13 LEU 13 HD13 LEU 13 4.651 7.826 5.289 204 HD21 LEU 13 HD21 LEU 13 2.900 9.558 5.398 205 HD22 LEU 13 HD22 LEU 13 1.663 9.497 6.653 206 HD23 LEU 13 HD23 LEU 13 1.626 8.343 5.321 207 H GLU 14 H GLU 14 5.525 6.177 8.825 208 HA GLU 14 HA GLU 14 5.589 8.072 11.035 209 HB2 GLU 14 HB3 GLU 14 7.055 5.901 10.680 210 HB3 GLU 14 HB2 GLU 14 8.026 6.967 9.679 211 HG2 GLU 14 HG3 GLU 14 7.392 7.376 12.593 212 HG3 GLU 14 HG2 GLU 14 8.915 6.787 11.935 213 H ARG 15 H ARG 15 6.976 7.711 7.762 214 HA ARG 15 HA ARG 15 6.729 10.525 7.234 215 HB2 ARG 15 HB3 ARG 15 9.107 10.947 6.894 216 HB3 ARG 15 HB2 ARG 15 8.802 10.474 8.560 217 HG2 ARG 15 HG3 ARG 15 9.617 8.250 8.129 218 HG3 ARG 15 HG2 ARG 15 9.806 8.619 6.413 219 HD2 ARG 15 HD3 ARG 15 11.476 10.297 6.946 220 HD3 ARG 15 HD2 ARG 15 11.260 9.986 8.664 221 HE ARG 15 HE ARG 15 12.121 7.714 8.221 222 HH11 ARG 15 HH11 ARG 15 12.889 10.301 5.977 223 HH12 ARG 15 HH12 ARG 15 14.312 9.515 5.373 224 HH21 ARG 15 HH21 ARG 15 14.011 6.706 7.436 225 HH22 ARG 15 HH22 ARG 15 14.957 7.489 6.210 226 H ASP 16 H ASP 16 8.101 10.945 5.091 227 HA ASP 16 HA ASP 16 8.357 8.676 3.355 228 HB2 ASP 16 HB3 ASP 16 6.809 9.646 1.598 229 HB3 ASP 16 HB2 ASP 16 6.023 8.908 2.987 230 H GLU 17 H GLU 17 9.006 9.475 1.084 231 HA GLU 17 HA GLU 17 10.478 11.987 1.238 232 HB2 GLU 17 HB3 GLU 17 11.932 10.260 2.220 233 HB3 GLU 17 HB2 GLU 17 11.780 9.302 0.754 234 HG2 GLU 17 HG3 GLU 17 13.896 10.561 0.956 235 HG3 GLU 17 HG2 GLU 17 12.986 10.906 -0.513 236 H ASN 18 H ASN 18 10.475 13.019 -0.643 237 HA ASN 18 HA ASN 18 10.432 13.507 -2.863 238 HB2 ASN 18 HB3 ASN 18 12.054 11.443 -2.866 239 HB3 ASN 18 HB2 ASN 18 10.693 10.611 -3.608 240 HD21 ASN 18 HD21 ASN 18 11.754 10.321 -5.544 241 HD22 ASN 18 HD22 ASN 18 12.068 11.629 -6.640 242 H PHE 19 H PHE 19 8.088 12.798 -1.337 243 HA PHE 19 HA PHE 19 6.374 11.127 -2.900 244 HB2 PHE 19 HB3 PHE 19 6.247 11.524 -0.384 245 HB3 PHE 19 HB2 PHE 19 5.470 13.056 -0.768 246 HD1 PHE 19 HD1 PHE 19 5.108 9.629 -2.192 247 HD2 PHE 19 HD2 PHE 19 3.236 12.910 -0.231 248 HE1 PHE 19 HE1 PHE 19 2.946 8.469 -2.326 249 HE2 PHE 19 HE2 PHE 19 1.069 11.754 -0.362 250 HZ PHE 19 HZ PHE 19 0.921 9.525 -1.413 251 H ASP 20 H ASP 20 6.689 14.638 -2.474 252 HA ASP 20 HA ASP 20 4.502 15.444 -4.000 253 HB2 ASP 20 HB3 ASP 20 5.855 16.979 -2.625 254 HB3 ASP 20 HB2 ASP 20 7.187 16.818 -3.764 255 H GLU 21 H GLU 21 7.865 14.957 -5.053 256 HA GLU 21 HA GLU 21 7.540 15.525 -7.747 257 HB2 GLU 21 HB3 GLU 21 9.426 13.690 -6.307 258 HB3 GLU 21 HB2 GLU 21 9.474 13.865 -8.057 259 HG2 GLU 21 HG3 GLU 21 9.805 16.085 -6.060 260 HG3 GLU 21 HG2 GLU 21 11.099 15.299 -6.957 261 H TYR 22 H TYR 22 7.093 12.427 -6.056 262 HA TYR 22 HA TYR 22 6.466 10.874 -8.296 263 HB2 TYR 22 HB3 TYR 22 6.857 9.793 -6.194 264 HB3 TYR 22 HB2 TYR 22 5.540 10.674 -5.427 265 HD1 TYR 22 HD1 TYR 22 3.340 9.811 -5.450 266 HD2 TYR 22 HD2 TYR 22 6.300 8.087 -7.973 267 HE1 TYR 22 HE1 TYR 22 1.805 7.962 -5.980 268 HE2 TYR 22 HE2 TYR 22 4.777 6.237 -8.508 269 HH TYR 22 HH TYR 22 2.851 5.135 -7.675 270 H LEU 23 H LEU 23 4.460 13.026 -6.350 271 HA LEU 23 HA LEU 23 1.986 12.210 -7.484 272 HB2 LEU 23 HB3 LEU 23 2.731 14.797 -6.123 273 HB3 LEU 23 HB2 LEU 23 1.095 14.296 -6.507 274 HG LEU 23 HG LEU 23 2.972 12.972 -4.554 275 HD11 LEU 23 HD11 LEU 23 1.968 15.038 -3.756 276 HD12 LEU 23 HD12 LEU 23 1.307 13.641 -2.908 277 HD13 LEU 23 HD13 LEU 23 0.367 14.431 -4.175 278 HD21 LEU 23 HD21 LEU 23 1.658 11.287 -5.716 279 HD22 LEU 23 HD22 LEU 23 0.178 12.183 -5.373 280 HD23 LEU 23 HD23 LEU 23 1.104 11.472 -4.052 281 H LYS 24 H LYS 24 4.300 14.749 -8.236 282 HA LYS 24 HA LYS 24 2.791 16.053 -10.228 283 HB2 LYS 24 HB3 LYS 24 5.786 15.783 -9.896 284 HB3 LYS 24 HB2 LYS 24 5.009 16.871 -11.036 285 HG2 LYS 24 HG3 LYS 24 4.054 18.160 -9.272 286 HG3 LYS 24 HG2 LYS 24 4.564 16.979 -8.063 287 HD2 LYS 24 HD3 LYS 24 6.030 18.936 -8.069 288 HD3 LYS 24 HD2 LYS 24 6.903 17.481 -8.551 289 HE2 LYS 24 HE3 LYS 24 6.544 18.155 -10.933 290 HE3 LYS 24 HE2 LYS 24 5.876 19.674 -10.343 291 HZ1 LYS 24 HZ1 LYS 24 7.957 20.224 -9.350 292 HZ2 LYS 24 HZ2 LYS 24 8.259 19.778 -10.953 293 HZ3 LYS 24 HZ3 LYS 24 8.600 18.700 -9.695 294 H ALA 25 H ALA 25 5.270 13.550 -10.415 295 HA ALA 25 HA ALA 25 5.192 13.058 -13.161 296 HB1 ALA 25 HB1 ALA 25 6.918 12.167 -11.672 297 HB2 ALA 25 HB2 ALA 25 6.190 10.898 -12.655 298 HB3 ALA 25 HB3 ALA 25 5.735 11.068 -10.961 299 H ARG 26 H ARG 26 3.223 11.732 -10.560 300 HA ARG 26 HA ARG 26 1.814 9.861 -12.178 301 HB2 ARG 26 HB3 ARG 26 1.489 10.945 -9.424 302 HB3 ARG 26 HB2 ARG 26 0.121 10.122 -10.159 303 HG2 ARG 26 HG3 ARG 26 2.857 8.900 -9.959 304 HG3 ARG 26 HG2 ARG 26 1.614 8.706 -8.723 305 HD2 ARG 26 HD3 ARG 26 1.334 7.926 -11.624 306 HD3 ARG 26 HD2 ARG 26 1.674 6.817 -10.297 307 HE ARG 26 HE ARG 26 -0.547 7.534 -9.373 308 HH11 ARG 26 HH11 ARG 26 0.126 7.680 -12.815 309 HH12 ARG 26 HH12 ARG 26 -1.545 7.571 -13.279 310 HH21 ARG 26 HH21 ARG 26 -2.731 7.380 -9.979 311 HH22 ARG 26 HH22 ARG 26 -3.166 7.389 -11.661 312 H GLY 27 H GLY 27 1.603 13.228 -11.950 313 HA2 GLY 27 HA3 GLY 27 0.312 14.487 -13.468 314 HA3 GLY 27 HA2 GLY 27 -0.798 13.134 -13.613 315 H TYR 28 H TYR 28 0.151 14.100 -10.432 316 HA TYR 28 HA TYR 28 -2.548 15.103 -9.961 317 HB2 TYR 28 HB3 TYR 28 -0.299 14.461 -8.042 318 HB3 TYR 28 HB2 TYR 28 -1.889 15.036 -7.558 319 HD1 TYR 28 HD1 TYR 28 0.092 12.182 -8.082 320 HD2 TYR 28 HD2 TYR 28 -3.904 13.583 -8.438 321 HE1 TYR 28 HE1 TYR 28 -0.715 9.860 -8.028 322 HE2 TYR 28 HE2 TYR 28 -4.727 11.271 -8.388 323 HH TYR 28 HH TYR 28 -2.660 8.575 -7.650 324 H GLY 29 H GLY 29 -2.983 17.192 -9.860 325 HA2 GLY 29 HA3 GLY 29 -0.882 19.123 -10.208 326 HA3 GLY 29 HA2 GLY 29 -2.604 19.457 -10.109 327 H TRP 30 H TRP 30 -1.309 21.268 -8.901 328 HA TRP 30 HA TRP 30 -0.159 20.981 -6.424 329 HB2 TRP 30 HB3 TRP 30 -0.146 23.097 -7.566 330 HB3 TRP 30 HB2 TRP 30 -1.901 23.203 -7.506 331 HD1 TRP 30 HD1 TRP 30 1.196 23.599 -5.267 332 HE1 TRP 30 HE1 TRP 30 0.520 24.970 -3.191 333 HE3 TRP 30 HE3 TRP 30 -3.845 23.828 -6.058 334 HZ2 TRP 30 HZ2 TRP 30 -1.849 26.011 -2.049 335 HZ3 TRP 30 HZ3 TRP 30 -5.242 25.031 -4.436 336 HH2 TRP 30 HH2 TRP 30 -4.268 26.094 -2.477 337 H ILE 31 H ILE 31 -3.625 21.473 -7.098 338 HA ILE 31 HA ILE 31 -4.569 21.526 -4.507 339 HB ILE 31 HB ILE 31 -5.749 20.883 -7.134 340 HG12 ILE 31 HG13 ILE 31 -5.682 23.158 -6.164 341 HG13 ILE 31 HG12 ILE 31 -7.328 22.605 -6.473 342 HG21 ILE 31 HG21 ILE 31 -7.902 20.197 -6.165 343 HG22 ILE 31 HG22 ILE 31 -7.138 20.112 -4.577 344 HG23 ILE 31 HG23 ILE 31 -6.623 19.019 -5.861 345 HD11 ILE 31 HD11 ILE 31 -7.160 23.748 -4.339 346 HD12 ILE 31 HD12 ILE 31 -5.932 22.595 -3.814 347 HD13 ILE 31 HD13 ILE 31 -7.579 22.050 -4.120 348 H MET 32 H MET 32 -4.342 18.668 -6.607 349 HA MET 32 HA MET 32 -5.115 16.814 -4.677 350 HB2 MET 32 HB3 MET 32 -3.448 16.540 -7.160 351 HB3 MET 32 HB2 MET 32 -3.779 15.165 -6.116 352 HG2 MET 32 HG3 MET 32 -5.720 16.812 -7.681 353 HG3 MET 32 HG2 MET 32 -5.382 15.096 -7.831 354 HE1 MET 32 HE1 MET 32 -6.746 13.953 -4.235 355 HE2 MET 32 HE2 MET 32 -5.154 14.641 -4.563 356 HE3 MET 32 HE3 MET 32 -5.826 13.421 -5.650 357 H ARG 33 H ARG 33 -1.926 18.070 -5.505 358 HA ARG 33 HA ARG 33 -0.478 16.347 -3.812 359 HB2 ARG 33 HB3 ARG 33 0.179 19.109 -4.837 360 HB3 ARG 33 HB2 ARG 33 1.319 18.088 -3.969 361 HG2 ARG 33 HG3 ARG 33 1.047 16.365 -5.723 362 HG3 ARG 33 HG2 ARG 33 0.015 17.482 -6.613 363 HD2 ARG 33 HD3 ARG 33 2.861 18.063 -5.824 364 HD3 ARG 33 HD2 ARG 33 2.379 17.420 -7.389 365 HE ARG 33 HE ARG 33 1.056 19.517 -7.643 366 HH11 ARG 33 HH11 ARG 33 3.814 19.412 -5.487 367 HH12 ARG 33 HH12 ARG 33 4.174 21.102 -5.680 368 HH21 ARG 33 HH21 ARG 33 1.566 21.741 -7.926 369 HH22 ARG 33 HH22 ARG 33 2.912 22.417 -7.061 370 H GLN 34 H GLN 34 -2.244 19.299 -3.205 371 HA GLN 34 HA GLN 34 -1.233 19.723 -0.576 372 HB2 GLN 34 HB3 GLN 34 -3.759 20.661 -1.941 373 HB3 GLN 34 HB2 GLN 34 -3.296 21.147 -0.314 374 HG2 GLN 34 HG3 GLN 34 -1.743 21.664 -2.837 375 HG3 GLN 34 HG2 GLN 34 -2.682 22.843 -1.924 376 HE21 GLN 34 HE21 GLN 34 -1.844 21.784 0.657 377 HE22 GLN 34 HE22 GLN 34 -0.200 22.276 0.871 378 H VAL 35 H VAL 35 -3.729 17.690 -1.933 379 HA VAL 35 HA VAL 35 -4.801 16.975 0.643 380 HB VAL 35 HB VAL 35 -5.170 15.656 -2.059 381 HG11 VAL 35 HG11 VAL 35 -6.884 15.444 0.409 382 HG12 VAL 35 HG12 VAL 35 -5.743 14.218 -0.140 383 HG13 VAL 35 HG13 VAL 35 -7.142 14.629 -1.134 384 HG21 VAL 35 HG21 VAL 35 -6.855 17.738 -0.682 385 HG22 VAL 35 HG22 VAL 35 -7.294 16.883 -2.160 386 HG23 VAL 35 HG23 VAL 35 -5.896 17.958 -2.145 387 H ILE 36 H ILE 36 -3.297 15.087 -1.938 388 HA ILE 36 HA ILE 36 -2.925 12.715 -0.669 389 HB ILE 36 HB ILE 36 -1.028 13.820 -2.718 390 HG12 ILE 36 HG13 ILE 36 -3.706 12.458 -3.118 391 HG13 ILE 36 HG12 ILE 36 -3.446 14.187 -3.299 392 HG21 ILE 36 HG21 ILE 36 -2.018 11.056 -2.059 393 HG22 ILE 36 HG22 ILE 36 -0.404 11.687 -1.718 394 HG23 ILE 36 HG23 ILE 36 -0.931 11.463 -3.387 395 HD11 ILE 36 HD11 ILE 36 -1.877 13.733 -5.127 396 HD12 ILE 36 HD12 ILE 36 -3.501 13.125 -5.446 397 HD13 ILE 36 HD13 ILE 36 -2.218 12.010 -4.966 398 H LYS 37 H LYS 37 -0.585 15.439 -0.633 399 HA LYS 37 HA LYS 37 1.452 13.869 0.624 400 HB2 LYS 37 HB3 LYS 37 1.182 16.854 0.290 401 HB3 LYS 37 HB2 LYS 37 2.590 16.072 0.995 402 HG2 LYS 37 HG3 LYS 37 2.874 14.817 -1.130 403 HG3 LYS 37 HG2 LYS 37 1.562 15.777 -1.812 404 HD2 LYS 37 HD3 LYS 37 4.160 16.852 -0.724 405 HD3 LYS 37 HD2 LYS 37 3.744 16.687 -2.429 406 HE2 LYS 37 HE3 LYS 37 1.809 18.225 -2.009 407 HE3 LYS 37 HE2 LYS 37 2.455 18.492 -0.392 408 HZ1 LYS 37 HZ1 LYS 37 3.903 19.055 -2.924 409 HZ2 LYS 37 HZ2 LYS 37 4.471 19.360 -1.358 410 HZ3 LYS 37 HZ3 LYS 37 3.143 20.217 -1.951 411 H LEU 38 H LEU 38 -1.267 15.577 1.824 412 HA LEU 38 HA LEU 38 -0.061 15.781 4.493 413 HB2 LEU 38 HB3 LEU 38 -2.459 17.110 3.256 414 HB3 LEU 38 HB2 LEU 38 -2.198 17.111 4.988 415 HG LEU 38 HG LEU 38 -1.435 19.201 4.123 416 HD11 LEU 38 HD11 LEU 38 0.869 19.230 4.839 417 HD12 LEU 38 HD12 LEU 38 0.975 17.481 4.666 418 HD13 LEU 38 HD13 LEU 38 -0.077 18.181 5.894 419 HD21 LEU 38 HD21 LEU 38 0.292 19.396 2.415 420 HD22 LEU 38 HD22 LEU 38 -1.130 18.557 1.791 421 HD23 LEU 38 HD23 LEU 38 0.314 17.643 2.227 422 H ALA 39 H ALA 39 -1.621 13.565 2.819 423 HA ALA 39 HA ALA 39 -3.642 12.822 4.740 424 HB1 ALA 39 HB1 ALA 39 -4.121 10.983 3.212 425 HB2 ALA 39 HB2 ALA 39 -2.702 11.396 2.252 426 HB3 ALA 39 HB3 ALA 39 -4.060 12.518 2.344 427 H GLY 40 H GLY 40 -2.940 11.985 6.575 428 HA2 GLY 40 HA3 GLY 40 -0.597 10.373 6.850 429 HA3 GLY 40 HA2 GLY 40 -1.868 10.577 8.056 430 H VAL 41 H VAL 41 -0.510 8.088 7.206 431 HA VAL 41 HA VAL 41 -2.832 6.682 6.084 432 HB VAL 41 HB VAL 41 0.015 6.231 5.191 433 HG11 VAL 41 HG11 VAL 41 -1.010 4.772 3.506 434 HG12 VAL 41 HG12 VAL 41 -2.586 5.034 4.256 435 HG13 VAL 41 HG13 VAL 41 -1.311 4.208 5.151 436 HG21 VAL 41 HG21 VAL 41 -0.810 8.339 4.316 437 HG22 VAL 41 HG22 VAL 41 -2.279 7.552 3.744 438 HG23 VAL 41 HG23 VAL 41 -0.723 7.139 3.026 439 H THR 42 H THR 42 -3.349 4.850 7.052 440 HA THR 42 HA THR 42 -1.351 3.523 8.765 441 HB THR 42 HB THR 42 -4.347 3.401 9.150 442 HG1 THR 42 HG1 THR 42 -2.839 4.912 10.926 443 HG21 THR 42 HG21 THR 42 -3.745 2.645 11.401 444 HG22 THR 42 HG22 THR 42 -2.035 2.784 10.997 445 HG23 THR 42 HG23 THR 42 -3.041 1.591 10.174 446 H LYS 43 H LYS 43 -0.801 1.554 8.097 447 HA LYS 43 HA LYS 43 -2.379 0.231 6.017 448 HB2 LYS 43 HB3 LYS 43 0.398 -0.221 7.101 449 HB3 LYS 43 HB2 LYS 43 -0.360 -1.312 5.955 450 HG2 LYS 43 HG3 LYS 43 0.032 1.617 5.419 451 HG3 LYS 43 HG2 LYS 43 1.212 0.379 4.979 452 HD2 LYS 43 HD3 LYS 43 -0.519 -0.762 3.649 453 HD3 LYS 43 HD2 LYS 43 -1.651 0.531 4.047 454 HE2 LYS 43 HE3 LYS 43 0.968 0.934 2.619 455 HE3 LYS 43 HE2 LYS 43 -0.591 0.767 1.814 456 HZ1 LYS 43 HZ1 LYS 43 -1.362 2.733 2.985 457 HZ2 LYS 43 HZ2 LYS 43 0.016 3.077 2.057 458 HZ3 LYS 43 HZ3 LYS 43 0.147 2.900 3.738 459 H LYS 44 H LYS 44 -3.432 -1.698 6.321 460 HA LYS 44 HA LYS 44 -2.952 -3.104 8.853 461 HB2 LYS 44 HB3 LYS 44 -5.652 -2.428 7.684 462 HB3 LYS 44 HB2 LYS 44 -5.406 -3.562 9.002 463 HG2 LYS 44 HG3 LYS 44 -4.437 -1.761 10.351 464 HG3 LYS 44 HG2 LYS 44 -4.739 -0.626 9.035 465 HD2 LYS 44 HD3 LYS 44 -7.145 -1.098 9.208 466 HD3 LYS 44 HD2 LYS 44 -6.822 -2.199 10.549 467 HE2 LYS 44 HE3 LYS 44 -5.823 -0.314 11.801 468 HE3 LYS 44 HE2 LYS 44 -6.271 0.764 10.480 469 HZ1 LYS 44 HZ1 LYS 44 -8.146 -0.816 12.150 470 HZ2 LYS 44 HZ2 LYS 44 -8.594 0.187 10.865 471 HZ3 LYS 44 HZ3 LYS 44 -7.889 0.853 12.252 472 H PHE 45 H PHE 45 -2.120 -4.965 8.282 473 HA PHE 45 HA PHE 45 -3.388 -6.485 6.086 474 HB2 PHE 45 HB3 PHE 45 -0.553 -6.618 7.139 475 HB3 PHE 45 HB2 PHE 45 -1.234 -7.790 6.024 476 HD1 PHE 45 HD1 PHE 45 -0.507 -4.171 6.399 477 HD2 PHE 45 HD2 PHE 45 -1.093 -7.435 3.729 478 HE1 PHE 45 HE1 PHE 45 0.146 -2.739 4.510 479 HE2 PHE 45 HE2 PHE 45 -0.433 -6.007 1.836 480 HZ PHE 45 HZ PHE 45 0.312 -3.723 2.222 481 H ARG 46 H ARG 46 -4.249 -8.451 6.580 482 HA ARG 46 HA ARG 46 -3.526 -9.820 9.037 483 HB2 ARG 46 HB3 ARG 46 -5.739 -9.818 10.002 484 HB3 ARG 46 HB2 ARG 46 -5.258 -8.146 9.735 485 HG2 ARG 46 HG3 ARG 46 -6.627 -8.007 7.768 486 HG3 ARG 46 HG2 ARG 46 -7.008 -9.727 7.866 487 HD2 ARG 46 HD3 ARG 46 -8.084 -9.296 10.064 488 HD3 ARG 46 HD2 ARG 46 -7.816 -7.572 9.810 489 HE ARG 46 HE ARG 46 -9.280 -8.987 7.724 490 HH11 ARG 46 HH11 ARG 46 -9.414 -6.963 10.576 491 HH12 ARG 46 HH12 ARG 46 -11.014 -6.382 10.248 492 HH21 ARG 46 HH21 ARG 46 -11.392 -8.219 7.283 493 HH22 ARG 46 HH22 ARG 46 -12.144 -7.098 8.377 494 H ASN 47 H ASN 47 -4.474 -11.942 9.161 495 HA ASN 47 HA ASN 47 -4.878 -13.320 6.716 496 HB2 ASN 47 HB3 ASN 47 -5.612 -14.061 9.557 497 HB3 ASN 47 HB2 ASN 47 -5.876 -15.140 8.192 498 HD21 ASN 47 HD21 ASN 47 -3.534 -13.678 10.276 499 HD22 ASN 47 HD22 ASN 47 -2.186 -14.637 9.774 500 H ALA 48 H ALA 48 -6.799 -13.816 5.548 501 HA ALA 48 HA ALA 48 -8.817 -11.836 5.918 502 HB1 ALA 48 HB1 ALA 48 -7.909 -13.358 3.781 503 HB2 ALA 48 HB2 ALA 48 -9.258 -12.218 3.775 504 HB3 ALA 48 HB3 ALA 48 -9.559 -13.935 4.068 505 H ALA 49 H ALA 49 -10.543 -11.903 7.026 506 HA ALA 49 HA ALA 49 -11.356 -14.101 8.594 507 HB1 ALA 49 HB1 ALA 49 -13.182 -12.685 9.265 508 HB2 ALA 49 HB2 ALA 49 -12.891 -11.623 7.886 509 HB3 ALA 49 HB3 ALA 49 -11.691 -11.745 9.173 510 H SER 50 H SER 50 -11.917 -13.410 5.372 511 HA SER 50 HA SER 50 -14.333 -14.362 4.637 512 HB2 SER 50 HB3 SER 50 -13.258 -15.398 2.644 513 HB3 SER 50 HB2 SER 50 -12.677 -13.771 2.980 514 HG SER 50 HG SER 50 -10.868 -14.924 2.621 515 H GLY 51 H GLY 51 -11.840 -16.244 6.171 516 HA2 GLY 51 HA3 GLY 51 -12.376 -18.160 7.478 517 HA3 GLY 51 HA2 GLY 51 -13.782 -18.431 6.459 518 H LYS 52 H LYS 52 -11.278 -17.673 4.482 519 HA LYS 52 HA LYS 52 -10.804 -20.493 3.834 520 HB2 LYS 52 HB3 LYS 52 -10.225 -17.909 2.377 521 HB3 LYS 52 HB2 LYS 52 -9.757 -19.490 1.770 522 HG2 LYS 52 HG3 LYS 52 -12.099 -20.146 1.657 523 HG3 LYS 52 HG2 LYS 52 -12.578 -18.578 2.306 524 HD2 LYS 52 HD3 LYS 52 -11.071 -19.000 -0.276 525 HD3 LYS 52 HD2 LYS 52 -12.808 -18.716 -0.155 526 HE2 LYS 52 HE3 LYS 52 -12.413 -16.538 0.827 527 HE3 LYS 52 HE2 LYS 52 -10.677 -16.826 0.836 528 HZ1 LYS 52 HZ1 LYS 52 -12.369 -16.644 -1.592 529 HZ2 LYS 52 HZ2 LYS 52 -10.697 -16.886 -1.564 530 HZ3 LYS 52 HZ3 LYS 52 -11.348 -15.423 -1.011 531 HA PRO 53 HA PRO 53 -6.477 -19.794 5.032 532 HB2 PRO 53 HB3 PRO 53 -5.236 -21.765 3.705 533 HB3 PRO 53 HB2 PRO 53 -6.372 -22.094 5.016 534 HG2 PRO 53 HG3 PRO 53 -6.686 -22.506 2.128 535 HG3 PRO 53 HG2 PRO 53 -7.571 -23.243 3.468 536 HD2 PRO 53 HD3 PRO 53 -8.347 -21.014 1.796 537 HD3 PRO 53 HD2 PRO 53 -9.295 -21.844 3.047 538 H ASP 54 H ASP 54 -4.456 -18.934 4.351 539 HA ASP 54 HA ASP 54 -2.793 -18.207 3.027 540 HB2 ASP 54 HB3 ASP 54 -4.473 -19.268 0.767 541 HB3 ASP 54 HB2 ASP 54 -2.957 -18.412 0.505 542 H ARG 55 H ARG 55 -6.036 -17.299 1.955 543 HA ARG 55 HA ARG 55 -5.528 -14.830 0.885 544 HB2 ARG 55 HB3 ARG 55 -7.873 -14.312 2.009 545 HB3 ARG 55 HB2 ARG 55 -7.702 -15.365 0.618 546 HG2 ARG 55 HG3 ARG 55 -9.180 -16.409 2.139 547 HG3 ARG 55 HG2 ARG 55 -7.671 -17.303 2.166 548 HD2 ARG 55 HD3 ARG 55 -8.272 -15.195 4.211 549 HD3 ARG 55 HD2 ARG 55 -8.874 -16.833 4.393 550 HE ARG 55 HE ARG 55 -6.067 -16.786 3.927 551 HH11 ARG 55 HH11 ARG 55 -8.478 -16.247 6.418 552 HH12 ARG 55 HH12 ARG 55 -7.389 -16.610 7.720 553 HH21 ARG 55 HH21 ARG 55 -4.628 -17.226 5.664 554 HH22 ARG 55 HH22 ARG 55 -5.210 -17.154 7.295 555 H TYR 56 H TYR 56 -5.696 -12.684 1.637 556 HA TYR 56 HA TYR 56 -5.603 -12.272 4.528 557 HB2 TYR 56 HB3 TYR 56 -3.511 -11.365 2.550 558 HB3 TYR 56 HB2 TYR 56 -3.742 -10.549 4.093 559 HD1 TYR 56 HD1 TYR 56 -2.522 -13.578 2.444 560 HD2 TYR 56 HD2 TYR 56 -3.189 -11.676 6.183 561 HE1 TYR 56 HE1 TYR 56 -1.106 -15.260 3.548 562 HE2 TYR 56 HE2 TYR 56 -1.777 -13.346 7.295 563 HH TYR 56 HH TYR 56 -1.027 -15.649 6.916 564 H ASP 57 H ASP 57 -6.197 -10.189 5.191 565 HA ASP 57 HA ASP 57 -7.663 -8.606 3.192 566 HB2 ASP 57 HB3 ASP 57 -7.812 -8.678 6.213 567 HB3 ASP 57 HB2 ASP 57 -8.570 -7.413 5.260 568 H MET 58 H MET 58 -7.223 -6.402 2.964 569 HA MET 58 HA MET 58 -5.167 -5.211 4.631 570 HB2 MET 58 HB3 MET 58 -3.857 -6.266 2.860 571 HB3 MET 58 HB2 MET 58 -4.836 -5.471 1.637 572 HG2 MET 58 HG3 MET 58 -3.323 -3.866 3.650 573 HG3 MET 58 HG2 MET 58 -2.517 -4.519 2.227 574 HE1 MET 58 HE1 MET 58 -1.811 -2.017 1.661 575 HE2 MET 58 HE2 MET 58 -2.727 -1.399 3.038 576 HE3 MET 58 HE3 MET 58 -2.967 -0.701 1.437 577 H GLU 59 H GLU 59 -5.909 -3.301 5.192 578 HA GLU 59 HA GLU 59 -7.378 -1.788 3.150 579 HB2 GLU 59 HB3 GLU 59 -8.641 -0.661 4.915 580 HB3 GLU 59 HB2 GLU 59 -8.906 -2.394 4.927 581 HG2 GLU 59 HG3 GLU 59 -7.465 -2.643 6.837 582 HG3 GLU 59 HG2 GLU 59 -7.053 -0.927 6.786 583 H ASN 60 H ASN 60 -7.156 0.435 3.091 584 HA ASN 60 HA ASN 60 -4.574 1.408 4.145 585 HB2 ASN 60 HB3 ASN 60 -5.151 1.003 1.518 586 HB3 ASN 60 HB2 ASN 60 -5.720 2.649 1.709 587 HD21 ASN 60 HD21 ASN 60 -3.595 1.788 0.081 588 HD22 ASN 60 HD22 ASN 60 -2.144 2.556 0.646 589 H LEU 61 H LEU 61 -5.540 2.409 5.955 590 HA LEU 61 HA LEU 61 -7.749 4.237 5.529 591 HB2 LEU 61 HB3 LEU 61 -7.790 2.892 7.534 592 HB3 LEU 61 HB2 LEU 61 -6.195 3.454 7.994 593 HG LEU 61 HG LEU 61 -7.118 5.744 8.262 594 HD11 LEU 61 HD11 LEU 61 -9.765 4.378 7.817 595 HD12 LEU 61 HD12 LEU 61 -9.015 5.566 6.753 596 HD13 LEU 61 HD13 LEU 61 -9.542 6.037 8.368 597 HD21 LEU 61 HD21 LEU 61 -6.862 4.303 10.189 598 HD22 LEU 61 HD22 LEU 61 -8.439 3.577 9.883 599 HD23 LEU 61 HD23 LEU 61 -8.325 5.274 10.348 600 H THR 62 H THR 62 -7.492 6.337 5.118 601 HA THR 62 HA THR 62 -4.967 7.590 5.882 602 HB THR 62 HB THR 62 -4.848 8.834 3.845 603 HG1 THR 62 HG1 THR 62 -6.533 8.336 2.189 604 HG21 THR 62 HG21 THR 62 -5.581 5.989 3.120 605 HG22 THR 62 HG22 THR 62 -4.001 6.526 3.688 606 HG23 THR 62 HG23 THR 62 -4.621 7.100 2.141 607 H THR 63 H THR 63 -5.689 10.201 5.109 608 HA THR 63 HA THR 63 -7.566 10.738 7.244 609 HB THR 63 HB THR 63 -6.871 13.078 6.965 610 HG1 THR 63 HG1 THR 63 -5.544 13.675 5.324 611 HG21 THR 63 HG21 THR 63 -4.417 12.692 7.427 612 HG22 THR 63 HG22 THR 63 -4.706 10.986 7.066 613 HG23 THR 63 HG23 THR 63 -5.532 11.754 8.424 614 H LYS 64 H LYS 64 -7.331 11.104 3.766 615 HA LYS 64 HA LYS 64 -9.980 12.374 3.724 616 HB2 LYS 64 HB3 LYS 64 -7.818 12.312 1.614 617 HB3 LYS 64 HB2 LYS 64 -9.375 13.107 1.439 618 HG2 LYS 64 HG3 LYS 64 -7.299 13.806 3.505 619 HG3 LYS 64 HG2 LYS 64 -7.561 14.670 1.990 620 HD2 LYS 64 HD3 LYS 64 -9.848 15.195 2.691 621 HD3 LYS 64 HD2 LYS 64 -9.578 14.339 4.209 622 HE2 LYS 64 HE3 LYS 64 -9.327 16.712 4.561 623 HE3 LYS 64 HE2 LYS 64 -7.766 15.920 4.748 624 HZ1 LYS 64 HZ1 LYS 64 -7.138 16.648 2.561 625 HZ2 LYS 64 HZ2 LYS 64 -7.647 17.988 3.459 626 HZ3 LYS 64 HZ3 LYS 64 -8.666 17.318 2.288 627 H LYS 65 H LYS 65 -8.344 9.479 3.021 628 HA LYS 65 HA LYS 65 -10.628 8.559 1.417 629 HB2 LYS 65 HB3 LYS 65 -7.696 8.114 0.957 630 HB3 LYS 65 HB2 LYS 65 -8.878 6.972 0.350 631 HG2 LYS 65 HG3 LYS 65 -8.762 9.898 -0.324 632 HG3 LYS 65 HG2 LYS 65 -8.219 8.572 -1.354 633 HD2 LYS 65 HD3 LYS 65 -11.047 9.060 -0.412 634 HD3 LYS 65 HD2 LYS 65 -10.426 9.345 -2.033 635 HE2 LYS 65 HE3 LYS 65 -9.957 6.947 -2.268 636 HE3 LYS 65 HE2 LYS 65 -10.604 6.668 -0.653 637 HZ1 LYS 65 HZ1 LYS 65 -12.113 7.737 -2.978 638 HZ2 LYS 65 HZ2 LYS 65 -12.742 7.519 -1.420 639 HZ3 LYS 65 HZ3 LYS 65 -12.261 6.174 -2.326 640 H ASP 66 H ASP 66 -9.459 5.915 1.280 641 HA ASP 66 HA ASP 66 -9.267 4.448 3.454 642 HB2 ASP 66 HB3 ASP 66 -11.487 3.986 4.378 643 HB3 ASP 66 HB2 ASP 66 -11.069 5.677 4.588 644 H THR 67 H THR 67 -8.946 2.581 2.576 645 HA THR 67 HA THR 67 -10.827 1.561 0.574 646 HB THR 67 HB THR 67 -8.953 0.659 -0.770 647 HG1 THR 67 HG1 THR 67 -7.356 2.231 0.992 648 HG21 THR 67 HG21 THR 67 -8.192 2.800 -1.755 649 HG22 THR 67 HG22 THR 67 -8.877 3.651 -0.368 650 HG23 THR 67 HG23 THR 67 -9.932 2.764 -1.469 651 H HIS 68 H HIS 68 -10.805 -0.806 0.457 652 HA HIS 68 HA HIS 68 -9.559 -2.115 2.735 653 HB2 HIS 68 HB3 HIS 68 -11.615 -1.151 3.647 654 HB3 HIS 68 HB2 HIS 68 -12.553 -1.910 2.371 655 HD1 HIS 68 HD1 HIS 68 -13.957 -3.063 4.243 656 HD2 HIS 68 HD2 HIS 68 -9.967 -4.200 4.099 657 HE1 HIS 68 HE1 HIS 68 -13.800 -5.155 5.617 658 HE2 HIS 68 HE2 HIS 68 -11.337 -5.675 5.724 659 H HIS 69 H HIS 69 -8.480 -3.473 1.354 660 HA HIS 69 HA HIS 69 -9.825 -4.902 -0.749 661 HB2 HIS 69 HB3 HIS 69 -7.098 -5.357 0.486 662 HB3 HIS 69 HB2 HIS 69 -7.692 -6.131 -0.976 663 HD1 HIS 69 HD1 HIS 69 -8.904 -3.443 -2.220 664 HD2 HIS 69 HD2 HIS 69 -5.059 -3.989 -0.730 665 HE1 HIS 69 HE1 HIS 69 -7.461 -1.764 -3.414 666 HE2 HIS 69 HE2 HIS 69 -5.104 -2.331 -2.717 667 H LYS 70 H LYS 70 -11.534 -5.933 0.394 668 HA LYS 70 HA LYS 70 -11.087 -7.794 2.485 669 HB2 LYS 70 HB3 LYS 70 -13.347 -7.404 0.536 670 HB3 LYS 70 HB2 LYS 70 -13.378 -8.647 1.777 671 HG2 LYS 70 HG3 LYS 70 -13.805 -7.189 3.414 672 HG3 LYS 70 HG2 LYS 70 -12.707 -5.975 2.758 673 HD2 LYS 70 HD3 LYS 70 -15.392 -6.573 1.541 674 HD3 LYS 70 HD2 LYS 70 -15.151 -5.369 2.803 675 HE2 LYS 70 HE3 LYS 70 -13.535 -4.207 1.407 676 HE3 LYS 70 HE2 LYS 70 -13.790 -5.393 0.124 677 HZ1 LYS 70 HZ1 LYS 70 -16.115 -4.695 0.006 678 HZ2 LYS 70 HZ2 LYS 70 -15.068 -3.402 -0.290 679 HZ3 LYS 70 HZ3 LYS 70 -15.840 -3.534 1.207 680 H ASP 71 H ASP 71 -9.845 -9.518 2.262 681 HA ASP 71 HA ASP 71 -9.279 -11.645 1.708 682 HB2 ASP 71 HB3 ASP 71 -11.660 -12.095 1.887 683 HB3 ASP 71 HB2 ASP 71 -11.917 -11.557 0.230 684 H TRP 72 H TRP 72 -7.472 -10.811 0.506 685 HA TRP 72 HA TRP 72 -7.734 -11.476 -2.353 686 HB2 TRP 72 HB3 TRP 72 -6.003 -9.787 -2.846 687 HB3 TRP 72 HB2 TRP 72 -7.445 -9.060 -2.141 688 HD1 TRP 72 HD1 TRP 72 -7.215 -7.970 0.274 689 HE1 TRP 72 HE1 TRP 72 -5.178 -7.280 1.683 690 HE3 TRP 72 HE3 TRP 72 -3.548 -10.434 -2.301 691 HZ2 TRP 72 HZ2 TRP 72 -2.384 -7.726 1.675 692 HZ3 TRP 72 HZ3 TRP 72 -1.233 -10.217 -1.494 693 HH2 TRP 72 HH2 TRP 72 -0.671 -8.900 0.435 694 H ALA 73 H ALA 73 -5.816 -12.360 -3.343 695 HA ALA 73 HA ALA 73 -3.786 -13.312 -1.423 696 HB1 ALA 73 HB1 ALA 73 -5.164 -15.162 -2.209 697 HB2 ALA 73 HB2 ALA 73 -3.531 -15.292 -2.866 698 HB3 ALA 73 HB3 ALA 73 -4.847 -14.705 -3.883 699 H LEU 74 H LEU 74 -1.607 -13.225 -2.160 700 HA LEU 74 HA LEU 74 -1.030 -11.377 -4.195 701 HB2 LEU 74 HB3 LEU 74 1.339 -12.422 -4.087 702 HB3 LEU 74 HB2 LEU 74 0.737 -11.478 -2.751 703 HG LEU 74 HG LEU 74 2.058 -13.621 -2.254 704 HD11 LEU 74 HD11 LEU 74 0.752 -14.091 -0.257 705 HD12 LEU 74 HD12 LEU 74 -0.617 -13.209 -0.929 706 HD13 LEU 74 HD13 LEU 74 0.878 -12.357 -0.546 707 HD21 LEU 74 HD21 LEU 74 -0.590 -14.813 -3.020 708 HD22 LEU 74 HD22 LEU 74 0.650 -15.652 -2.088 709 HD23 LEU 74 HD23 LEU 74 0.981 -15.142 -3.746 710 H GLY 75 H GLY 75 -0.125 -11.682 -6.229 711 HA2 GLY 75 HA3 GLY 75 -0.051 -12.656 -8.327 712 HA3 GLY 75 HA2 GLY 75 -0.384 -14.210 -7.573 713 H GLU 76 H GLU 76 -2.675 -12.152 -6.415 714 HA GLU 76 HA GLU 76 -4.608 -13.195 -8.347 715 HB2 GLU 76 HB3 GLU 76 -4.988 -13.897 -6.056 716 HB3 GLU 76 HB2 GLU 76 -5.014 -12.223 -5.521 717 HG2 GLU 76 HG3 GLU 76 -7.061 -11.810 -6.641 718 HG3 GLU 76 HG2 GLU 76 -6.979 -13.352 -7.489 719 H GLU 77 H GLU 77 -6.232 -11.949 -9.174 720 HA GLU 77 HA GLU 77 -5.810 -9.025 -9.119 721 HB2 GLU 77 HB3 GLU 77 -5.016 -9.815 -11.234 722 HB3 GLU 77 HB2 GLU 77 -6.387 -10.896 -11.432 723 HG2 GLU 77 HG3 GLU 77 -7.846 -8.873 -11.588 724 HG3 GLU 77 HG2 GLU 77 -6.375 -7.898 -11.619 725 H PHE 78 H PHE 78 -7.555 -8.002 -8.358 726 HA PHE 78 HA PHE 78 -10.219 -9.177 -8.749 727 HB2 PHE 78 HB3 PHE 78 -10.746 -8.694 -6.360 728 HB3 PHE 78 HB2 PHE 78 -9.514 -9.935 -6.555 729 HD1 PHE 78 HD1 PHE 78 -7.159 -9.428 -6.048 730 HD2 PHE 78 HD2 PHE 78 -10.266 -6.619 -5.293 731 HE1 PHE 78 HE1 PHE 78 -5.657 -8.173 -4.561 732 HE2 PHE 78 HE2 PHE 78 -8.766 -5.356 -3.808 733 HZ PHE 78 HZ PHE 78 -6.459 -6.133 -3.441 734 H GLN 79 H GLN 79 -11.965 -7.618 -8.294 735 HA GLN 79 HA GLN 79 -11.163 -4.896 -8.989 736 HB2 GLN 79 HB3 GLN 79 -12.964 -5.959 -10.293 737 HB3 GLN 79 HB2 GLN 79 -13.910 -6.153 -8.826 738 HG2 GLN 79 HG3 GLN 79 -13.962 -3.697 -8.577 739 HG3 GLN 79 HG2 GLN 79 -13.102 -3.553 -10.109 740 HE21 GLN 79 HE21 GLN 79 -14.173 -4.034 -12.024 741 HE22 GLN 79 HE22 GLN 79 -15.895 -4.173 -12.103 742 H ASP 80 H ASP 80 -11.616 -3.118 -7.724 743 HA ASP 80 HA ASP 80 -13.066 -3.154 -5.296 744 HB2 ASP 80 HB3 ASP 80 -11.085 -4.623 -4.675 745 HB3 ASP 80 HB2 ASP 80 -10.064 -3.207 -4.898 746 H GLU 81 H GLU 81 -12.341 -1.121 -3.906 747 HA GLU 81 HA GLU 81 -11.924 1.036 -5.860 748 HB2 GLU 81 HB3 GLU 81 -13.981 1.246 -4.516 749 HB3 GLU 81 HB2 GLU 81 -13.024 1.185 -3.039 750 HG2 GLU 81 HG3 GLU 81 -11.845 3.238 -3.783 751 HG3 GLU 81 HG2 GLU 81 -12.944 3.325 -5.154 752 H ALA 82 H ALA 82 -10.086 1.920 -5.968 753 HA ALA 82 HA ALA 82 -8.150 1.557 -3.823 754 HB1 ALA 82 HB1 ALA 82 -7.583 1.121 -6.184 755 HB2 ALA 82 HB2 ALA 82 -6.503 2.273 -5.393 756 HB3 ALA 82 HB3 ALA 82 -7.753 2.845 -6.501 757 H LEU 83 H LEU 83 -6.555 3.619 -3.716 758 HA LEU 83 HA LEU 83 -7.887 5.552 -2.227 759 HB2 LEU 83 HB3 LEU 83 -5.204 5.666 -3.605 760 HB3 LEU 83 HB2 LEU 83 -5.781 6.922 -2.533 761 HG LEU 83 HG LEU 83 -4.273 5.563 -1.299 762 HD11 LEU 83 HD11 LEU 83 -6.263 6.290 -0.089 763 HD12 LEU 83 HD12 LEU 83 -5.650 4.754 0.521 764 HD13 LEU 83 HD13 LEU 83 -7.074 4.784 -0.518 765 HD21 LEU 83 HD21 LEU 83 -4.517 3.162 -1.020 766 HD22 LEU 83 HD22 LEU 83 -4.308 3.578 -2.721 767 HD23 LEU 83 HD23 LEU 83 -5.908 3.164 -2.105 768 H ASP 84 H ASP 84 -7.420 5.287 -5.612 769 HA ASP 84 HA ASP 84 -7.912 8.056 -6.219 770 HB2 ASP 84 HB3 ASP 84 -7.783 7.394 -8.531 771 HB3 ASP 84 HB2 ASP 84 -6.492 6.599 -7.642 772 H SER 85 H SER 85 -9.895 5.846 -5.008 773 HA SER 85 HA SER 85 -12.073 6.053 -4.497 774 HB2 SER 85 HB3 SER 85 -12.071 8.382 -6.415 775 HB3 SER 85 HB2 SER 85 -13.390 7.966 -5.319 776 HG SER 85 HG SER 85 -11.140 9.349 -4.812 777 H THR 86 H THR 86 -11.113 5.248 -7.681 778 HA THR 86 HA THR 86 -13.886 4.609 -8.356 779 HB THR 86 HB THR 86 -13.055 3.854 -10.556 780 HG1 THR 86 HG1 THR 86 -10.534 4.862 -9.644 781 HG21 THR 86 HG21 THR 86 -13.868 6.104 -10.280 782 HG22 THR 86 HG22 THR 86 -12.513 6.091 -11.408 783 HG23 THR 86 HG23 THR 86 -12.277 6.646 -9.751 784 H GLN 87 H GLN 87 -14.253 2.431 -9.422 785 HA GLN 87 HA GLN 87 -13.215 0.410 -7.539 786 HB2 GLN 87 HB3 GLN 87 -15.576 -0.217 -9.206 787 HB3 GLN 87 HB2 GLN 87 -15.275 -0.588 -7.518 788 HG2 GLN 87 HG3 GLN 87 -16.000 2.157 -8.465 789 HG3 GLN 87 HG2 GLN 87 -17.208 0.947 -8.042 790 HE21 GLN 87 HE21 GLN 87 -14.833 3.152 -6.860 791 HE22 GLN 87 HE22 GLN 87 -15.200 2.980 -5.178 792 H HIS 88 H HIS 88 -11.463 -0.452 -8.673 793 HA HIS 88 HA HIS 88 -11.964 -1.084 -11.485 794 HB2 HIS 88 HB3 HIS 88 -9.684 -0.227 -12.049 795 HB3 HIS 88 HB2 HIS 88 -10.881 1.003 -11.660 796 HD1 HIS 88 HD1 HIS 88 -8.177 -0.924 -9.801 797 HD2 HIS 88 HD2 HIS 88 -9.946 2.823 -9.966 798 HE1 HIS 88 HE1 HIS 88 -6.966 0.468 -8.101 799 HE2 HIS 88 HE2 HIS 88 -7.891 2.811 -8.404 800 H LYS 89 H LYS 89 -9.851 -2.162 -12.373 801 HA LYS 89 HA LYS 89 -9.652 -4.623 -10.956 802 HB2 LYS 89 HB3 LYS 89 -9.693 -4.267 -13.466 803 HB3 LYS 89 HB2 LYS 89 -8.041 -3.691 -13.328 804 HG2 LYS 89 HG3 LYS 89 -7.224 -5.794 -12.749 805 HG3 LYS 89 HG2 LYS 89 -8.826 -6.394 -12.313 806 HD2 LYS 89 HD3 LYS 89 -8.217 -7.371 -14.414 807 HD3 LYS 89 HD2 LYS 89 -9.484 -6.181 -14.710 808 HE2 LYS 89 HE3 LYS 89 -7.842 -5.934 -16.421 809 HE3 LYS 89 HE2 LYS 89 -7.694 -4.552 -15.338 810 HZ1 LYS 89 HZ1 LYS 89 -5.999 -6.970 -15.070 811 HZ2 LYS 89 HZ2 LYS 89 -5.757 -5.438 -14.387 812 HZ3 LYS 89 HZ3 LYS 89 -5.563 -5.657 -16.053 813 H ILE 90 H ILE 90 -8.056 -5.335 -9.667 814 HA ILE 90 HA ILE 90 -5.645 -3.692 -9.338 815 HB ILE 90 HB ILE 90 -7.556 -4.549 -7.164 816 HG12 ILE 90 HG13 ILE 90 -6.424 -1.864 -7.965 817 HG13 ILE 90 HG12 ILE 90 -8.051 -2.435 -8.299 818 HG21 ILE 90 HG21 ILE 90 -5.221 -5.067 -6.525 819 HG22 ILE 90 HG22 ILE 90 -5.968 -3.828 -5.510 820 HG23 ILE 90 HG23 ILE 90 -4.812 -3.360 -6.759 821 HD11 ILE 90 HD11 ILE 90 -6.903 -1.946 -5.568 822 HD12 ILE 90 HD12 ILE 90 -8.550 -2.455 -5.935 823 HD13 ILE 90 HD13 ILE 90 -7.983 -0.865 -6.446 824 H THR 91 H THR 91 -3.811 -4.856 -8.698 825 HA THR 91 HA THR 91 -4.160 -7.739 -8.349 826 HB THR 91 HB THR 91 -2.140 -6.567 -10.259 827 HG1 THR 91 HG1 THR 91 -4.784 -7.277 -10.580 828 HG21 THR 91 HG21 THR 91 -1.851 -8.900 -10.965 829 HG22 THR 91 HG22 THR 91 -3.002 -9.413 -9.731 830 HG23 THR 91 HG23 THR 91 -1.465 -8.691 -9.257 831 H PHE 92 H PHE 92 -2.876 -8.610 -6.901 832 HA PHE 92 HA PHE 92 -0.643 -7.012 -5.824 833 HB2 PHE 92 HB3 PHE 92 -2.559 -8.910 -4.509 834 HB3 PHE 92 HB2 PHE 92 -0.942 -8.717 -3.845 835 HD1 PHE 92 HD1 PHE 92 -4.046 -6.907 -4.694 836 HD2 PHE 92 HD2 PHE 92 -0.393 -6.856 -2.521 837 HE1 PHE 92 HE1 PHE 92 -4.798 -4.897 -3.498 838 HE2 PHE 92 HE2 PHE 92 -1.140 -4.848 -1.315 839 HZ PHE 92 HZ PHE 92 -3.314 -3.875 -1.775 840 H ASP 93 H ASP 93 1.338 -8.127 -5.443 841 HA ASP 93 HA ASP 93 1.531 -10.921 -6.129 842 HB2 ASP 93 HB3 ASP 93 1.523 -9.968 -8.369 843 HB3 ASP 93 HB2 ASP 93 2.817 -8.859 -7.930 844 H LEU 94 H LEU 94 3.133 -11.859 -5.071 845 HA LEU 94 HA LEU 94 5.075 -10.256 -3.623 846 HB2 LEU 94 HB3 LEU 94 3.994 -12.935 -3.438 847 HB3 LEU 94 HB2 LEU 94 5.744 -12.989 -3.446 848 HG LEU 94 HG LEU 94 4.784 -12.950 -1.167 849 HD11 LEU 94 HD11 LEU 94 6.218 -11.188 -0.274 850 HD12 LEU 94 HD12 LEU 94 6.390 -10.506 -1.892 851 HD13 LEU 94 HD13 LEU 94 7.034 -12.110 -1.537 852 HD21 LEU 94 HD21 LEU 94 3.855 -10.195 -1.946 853 HD22 LEU 94 HD22 LEU 94 3.813 -10.871 -0.317 854 HD23 LEU 94 HD23 LEU 94 2.825 -11.584 -1.593 855 H LYS 95 H LYS 95 6.705 -9.462 -4.891 856 HA LYS 95 HA LYS 95 7.388 -10.968 -7.293 857 HB2 LYS 95 HB3 LYS 95 8.443 -8.997 -8.120 858 HB3 LYS 95 HB2 LYS 95 6.923 -8.493 -7.400 859 HG2 LYS 95 HG3 LYS 95 8.155 -7.771 -5.388 860 HG3 LYS 95 HG2 LYS 95 9.667 -8.206 -6.189 861 HD2 LYS 95 HD3 LYS 95 8.879 -6.638 -8.072 862 HD3 LYS 95 HD2 LYS 95 7.722 -6.028 -6.887 863 HE2 LYS 95 HE3 LYS 95 9.639 -4.608 -6.840 864 HE3 LYS 95 HE2 LYS 95 9.630 -5.564 -5.362 865 HZ1 LYS 95 HZ1 LYS 95 11.287 -6.090 -7.762 866 HZ2 LYS 95 HZ2 LYS 95 11.261 -7.057 -6.374 867 HZ3 LYS 95 HZ3 LYS 95 11.834 -5.466 -6.293 868 H ASP 96 H ASP 96 8.873 -9.659 -4.391 869 HA ASP 96 HA ASP 96 10.906 -11.772 -4.564 870 HB2 ASP 96 HB3 ASP 96 11.314 -8.943 -3.549 871 HB3 ASP 96 HB2 ASP 96 12.496 -10.232 -3.429 872 HA PRO 97 HA PRO 97 9.376 -12.925 -0.652 873 HB2 PRO 97 HB3 PRO 97 12.029 -13.369 0.490 874 HB3 PRO 97 HB2 PRO 97 10.812 -14.550 0.006 875 HG2 PRO 97 HG3 PRO 97 13.120 -14.234 -1.355 876 HG3 PRO 97 HG2 PRO 97 11.601 -14.674 -2.160 877 HD2 PRO 97 HD3 PRO 97 12.921 -11.985 -1.951 878 HD3 PRO 97 HD2 PRO 97 12.183 -12.759 -3.368 879 H ASN 98 H ASN 98 10.683 -10.055 -0.937 880 HA ASN 98 HA ASN 98 10.057 -9.329 1.811 881 HB2 ASN 98 HB3 ASN 98 12.026 -7.871 2.011 882 HB3 ASN 98 HB2 ASN 98 12.506 -9.551 1.803 883 HD21 ASN 98 HD21 ASN 98 13.537 -10.178 -0.064 884 HD22 ASN 98 HD22 ASN 98 14.165 -9.045 -1.213 885 H THR 99 H THR 99 9.069 -9.027 -1.118 886 HA THR 99 HA THR 99 8.233 -6.274 -0.775 887 HB THR 99 HB THR 99 9.644 -7.065 -3.328 888 HG1 THR 99 HG1 THR 99 10.611 -6.134 -0.980 889 HG21 THR 99 HG21 THR 99 8.307 -4.531 -2.396 890 HG22 THR 99 HG22 THR 99 7.973 -5.468 -3.856 891 HG23 THR 99 HG23 THR 99 9.477 -4.555 -3.713 892 H LEU 100 H LEU 100 6.162 -6.382 -0.944 893 HA LEU 100 HA LEU 100 4.831 -8.113 -2.909 894 HB2 LEU 100 HB3 LEU 100 3.908 -8.346 -0.750 895 HB3 LEU 100 HB2 LEU 100 3.961 -6.630 -0.445 896 HG LEU 100 HG LEU 100 2.129 -6.343 -2.131 897 HD11 LEU 100 HD11 LEU 100 2.495 -8.415 -3.360 898 HD12 LEU 100 HD12 LEU 100 0.842 -8.293 -2.768 899 HD13 LEU 100 HD13 LEU 100 1.994 -9.340 -1.945 900 HD21 LEU 100 HD21 LEU 100 0.373 -7.132 -0.626 901 HD22 LEU 100 HD22 LEU 100 1.688 -6.367 0.266 902 HD23 LEU 100 HD23 LEU 100 1.552 -8.125 0.231 903 H THR 101 H THR 101 3.343 -7.184 -4.488 904 HA THR 101 HA THR 101 3.759 -4.293 -4.872 905 HB THR 101 HB THR 101 3.277 -4.797 -7.316 906 HG1 THR 101 HG1 THR 101 4.020 -7.448 -6.589 907 HG21 THR 101 HG21 THR 101 5.767 -5.931 -6.046 908 HG22 THR 101 HG22 THR 101 5.502 -4.260 -6.537 909 HG23 THR 101 HG23 THR 101 5.588 -5.532 -7.755 910 H GLU 102 H GLU 102 2.074 -3.009 -5.111 911 HA GLU 102 HA GLU 102 -0.604 -4.193 -5.479 912 HB2 GLU 102 HB3 GLU 102 -0.727 -3.160 -3.393 913 HB3 GLU 102 HB2 GLU 102 0.374 -1.873 -3.848 914 HG2 GLU 102 HG3 GLU 102 -1.790 -0.935 -3.568 915 HG3 GLU 102 HG2 GLU 102 -1.426 -0.930 -5.285 916 H THR 103 H THR 103 -1.306 -3.899 -7.509 917 HA THR 103 HA THR 103 -0.478 -1.445 -8.913 918 HB THR 103 HB THR 103 -1.024 -4.156 -10.142 919 HG1 THR 103 HG1 THR 103 0.958 -4.275 -9.178 920 HG21 THR 103 HG21 THR 103 -1.600 -2.304 -11.638 921 HG22 THR 103 HG22 THR 103 -0.153 -3.143 -12.204 922 HG23 THR 103 HG23 THR 103 -0.006 -1.590 -11.378 923 H HIS 104 H HIS 104 -2.081 -0.119 -9.349 924 HA HIS 104 HA HIS 104 -4.840 -1.124 -9.320 925 HB2 HIS 104 HB3 HIS 104 -3.855 1.739 -9.299 926 HB3 HIS 104 HB2 HIS 104 -5.510 1.199 -9.061 927 HD1 HIS 104 HD1 HIS 104 -3.292 2.751 -7.088 928 HD2 HIS 104 HD2 HIS 104 -5.055 -0.998 -6.732 929 HE1 HIS 104 HE1 HIS 104 -3.217 2.194 -4.638 930 HE2 HIS 104 HE2 HIS 104 -4.047 -0.190 -4.501 931 H ILE 105 H ILE 105 -5.764 -1.552 -11.242 932 HA ILE 105 HA ILE 105 -5.032 0.156 -13.531 933 HB ILE 105 HB ILE 105 -6.171 -2.633 -13.667 934 HG12 ILE 105 HG13 ILE 105 -3.344 -1.607 -13.935 935 HG13 ILE 105 HG12 ILE 105 -3.946 -2.839 -12.833 936 HG21 ILE 105 HG21 ILE 105 -5.096 -0.789 -15.804 937 HG22 ILE 105 HG22 ILE 105 -6.781 -1.255 -15.572 938 HG23 ILE 105 HG23 ILE 105 -5.590 -2.461 -16.059 939 HD11 ILE 105 HD11 ILE 105 -2.666 -3.802 -14.655 940 HD12 ILE 105 HD12 ILE 105 -3.782 -3.078 -15.815 941 HD13 ILE 105 HD13 ILE 105 -4.350 -4.321 -14.702 942 H LYS 106 H LYS 106 -6.505 1.606 -13.858 943 HA LYS 106 HA LYS 106 -9.139 1.495 -12.832 944 HB2 LYS 106 HB3 LYS 106 -7.906 3.356 -14.873 945 HB3 LYS 106 HB2 LYS 106 -9.443 3.623 -14.064 946 HG2 LYS 106 HG3 LYS 106 -8.317 3.748 -11.915 947 HG3 LYS 106 HG2 LYS 106 -6.768 3.417 -12.694 948 HD2 LYS 106 HD3 LYS 106 -6.947 5.485 -13.969 949 HD3 LYS 106 HD2 LYS 106 -8.529 5.803 -13.256 950 HE2 LYS 106 HE3 LYS 106 -7.486 5.909 -11.032 951 HE3 LYS 106 HE2 LYS 106 -5.910 5.623 -11.767 952 HZ1 LYS 106 HZ1 LYS 106 -6.387 7.986 -11.291 953 HZ2 LYS 106 HZ2 LYS 106 -7.647 7.940 -12.415 954 HZ3 LYS 106 HZ3 LYS 106 -6.047 7.692 -12.924 955 H VAL 107 H VAL 107 -11.002 1.025 -13.676 956 HA VAL 107 HA VAL 107 -11.338 -0.605 -15.918 957 HB VAL 107 HB VAL 107 -13.596 1.081 -14.904 958 HG11 VAL 107 HG11 VAL 107 -13.322 -1.773 -15.765 959 HG12 VAL 107 HG12 VAL 107 -14.032 -0.450 -16.689 960 HG13 VAL 107 HG13 VAL 107 -14.818 -1.023 -15.219 961 HG21 VAL 107 HG21 VAL 107 -12.439 0.422 -12.876 962 HG22 VAL 107 HG22 VAL 107 -12.413 -1.257 -13.419 963 HG23 VAL 107 HG23 VAL 107 -13.949 -0.473 -13.042 964 H ASP 108 H ASP 108 -11.608 2.857 -15.441 965 HA ASP 108 HA ASP 108 -12.879 3.347 -17.976 966 HB2 ASP 108 HB3 ASP 108 -11.639 5.265 -15.989 967 HB3 ASP 108 HB2 ASP 108 -12.583 5.736 -17.396 968 H ASP 109 H ASP 109 -9.681 4.007 -16.566 969 HA ASP 109 HA ASP 109 -8.563 3.945 -19.270 970 HB2 ASP 109 HB3 ASP 109 -8.796 6.318 -18.514 971 HB3 ASP 109 HB2 ASP 109 -7.763 5.944 -17.137 972 HA PRO 110 HA PRO 110 -6.318 0.967 -16.712 973 HB2 PRO 110 HB3 PRO 110 -5.676 -0.659 -18.762 974 HB3 PRO 110 HB2 PRO 110 -7.281 -0.651 -18.026 975 HG2 PRO 110 HG3 PRO 110 -6.352 0.695 -20.532 976 HG3 PRO 110 HG2 PRO 110 -7.827 -0.243 -20.242 977 HD2 PRO 110 HD3 PRO 110 -7.812 2.447 -20.218 978 HD3 PRO 110 HD2 PRO 110 -8.893 1.488 -19.196 979 H THR 111 H THR 111 -5.259 3.300 -18.842 980 HA THR 111 HA THR 111 -2.518 2.293 -18.877 981 HB THR 111 HB THR 111 -2.045 4.285 -20.330 982 HG1 THR 111 HG1 THR 111 -4.399 5.103 -19.510 983 HG21 THR 111 HG21 THR 111 -2.444 2.090 -21.275 984 HG22 THR 111 HG22 THR 111 -3.172 3.329 -22.297 985 HG23 THR 111 HG23 THR 111 -4.183 2.364 -21.221 986 H ASP 112 H ASP 112 -4.529 4.487 -17.210 987 HA ASP 112 HA ASP 112 -2.279 5.937 -16.054 988 HB2 ASP 112 HB3 ASP 112 -4.432 7.108 -16.600 989 HB3 ASP 112 HB2 ASP 112 -5.223 6.140 -15.363 990 H VAL 113 H VAL 113 -1.974 3.350 -15.598 991 HA VAL 113 HA VAL 113 -3.094 2.357 -13.223 992 HB VAL 113 HB VAL 113 -1.128 0.806 -13.218 993 HG11 VAL 113 HG11 VAL 113 -1.870 -0.415 -15.174 994 HG12 VAL 113 HG12 VAL 113 -2.653 1.038 -15.798 995 HG13 VAL 113 HG13 VAL 113 -3.236 0.289 -14.312 996 HG21 VAL 113 HG21 VAL 113 0.311 0.786 -15.203 997 HG22 VAL 113 HG22 VAL 113 0.505 2.267 -14.265 998 HG23 VAL 113 HG23 VAL 113 -0.442 2.283 -15.751 999 H GLU 114 H GLU 114 -1.649 1.695 -11.368 1000 HA GLU 114 HA GLU 114 0.417 3.592 -10.653 1001 HB2 GLU 114 HB3 GLU 114 -1.671 4.791 -10.120 1002 HB3 GLU 114 HB2 GLU 114 -2.180 3.451 -9.106 1003 HG2 GLU 114 HG3 GLU 114 -0.353 3.864 -7.584 1004 HG3 GLU 114 HG2 GLU 114 0.256 5.148 -8.632 1005 H THR 115 H THR 115 1.849 2.656 -9.242 1006 HA THR 115 HA THR 115 1.048 0.081 -8.078 1007 HB THR 115 HB THR 115 3.610 0.596 -9.603 1008 HG1 THR 115 HG1 THR 115 1.605 -1.315 -10.223 1009 HG21 THR 115 HG21 THR 115 3.957 -0.914 -7.696 1010 HG22 THR 115 HG22 THR 115 4.084 -1.776 -9.229 1011 HG23 THR 115 HG23 THR 115 2.623 -1.924 -8.253 1012 H TYR 116 H TYR 116 1.528 -0.138 -6.043 1013 HA TYR 116 HA TYR 116 3.670 1.502 -4.830 1014 HB2 TYR 116 HB3 TYR 116 1.603 -0.101 -3.314 1015 HB3 TYR 116 HB2 TYR 116 2.635 1.179 -2.701 1016 HD1 TYR 116 HD1 TYR 116 2.005 3.120 -5.083 1017 HD2 TYR 116 HD2 TYR 116 -0.407 0.799 -2.460 1018 HE1 TYR 116 HE1 TYR 116 0.159 4.721 -5.368 1019 HE2 TYR 116 HE2 TYR 116 -2.256 2.389 -2.738 1020 HH TYR 116 HH TYR 116 -2.210 4.871 -5.150 1021 H GLU 117 H GLU 117 5.154 0.256 -3.286 1022 HA GLU 117 HA GLU 117 5.072 -2.617 -3.780 1023 HB2 GLU 117 HB3 GLU 117 7.490 -0.807 -3.938 1024 HB3 GLU 117 HB2 GLU 117 7.580 -2.561 -3.867 1025 HG2 GLU 117 HG3 GLU 117 6.467 -2.763 -5.972 1026 HG3 GLU 117 HG2 GLU 117 6.141 -1.033 -6.021 1027 H TYR 118 H TYR 118 5.067 -3.676 -1.919 1028 HA TYR 118 HA TYR 118 5.561 -2.212 0.553 1029 HB2 TYR 118 HB3 TYR 118 4.380 -4.969 0.104 1030 HB3 TYR 118 HB2 TYR 118 4.469 -4.129 1.648 1031 HD1 TYR 118 HD1 TYR 118 3.076 -2.099 2.022 1032 HD2 TYR 118 HD2 TYR 118 2.644 -4.476 -1.469 1033 HE1 TYR 118 HE1 TYR 118 0.893 -1.081 1.588 1034 HE2 TYR 118 HE2 TYR 118 0.485 -3.466 -1.908 1035 HH TYR 118 HH TYR 118 -1.249 -2.392 -0.672 1036 H ARG 119 H ARG 119 7.759 -2.147 0.723 1037 HA ARG 119 HA ARG 119 9.216 -4.695 0.767 1038 HB2 ARG 119 HB3 ARG 119 10.319 -3.120 -0.623 1039 HB3 ARG 119 HB2 ARG 119 10.069 -1.812 0.521 1040 HG2 ARG 119 HG3 ARG 119 11.638 -2.946 2.076 1041 HG3 ARG 119 HG2 ARG 119 11.958 -4.136 0.813 1042 HD2 ARG 119 HD3 ARG 119 12.980 -2.556 -0.575 1043 HD3 ARG 119 HD2 ARG 119 12.288 -1.198 0.312 1044 HE ARG 119 HE ARG 119 13.937 -2.642 2.055 1045 HH11 ARG 119 HH11 ARG 119 14.257 -0.730 -0.855 1046 HH12 ARG 119 HH12 ARG 119 15.813 -0.101 -0.428 1047 HH21 ARG 119 HH21 ARG 119 15.979 -1.795 2.647 1048 HH22 ARG 119 HH22 ARG 119 16.795 -0.705 1.562 1049 H ARG 120 H ARG 120 10.515 -5.232 2.595 1050 HA ARG 120 HA ARG 120 9.802 -3.788 5.055 1051 HB2 ARG 120 HB3 ARG 120 10.582 -6.618 4.495 1052 HB3 ARG 120 HB2 ARG 120 10.978 -5.927 6.060 1053 HG2 ARG 120 HG3 ARG 120 8.207 -5.948 4.903 1054 HG3 ARG 120 HG2 ARG 120 8.837 -7.198 5.971 1055 HD2 ARG 120 HD3 ARG 120 8.530 -4.266 6.616 1056 HD3 ARG 120 HD2 ARG 120 7.540 -5.585 7.237 1057 HE ARG 120 HE ARG 120 10.427 -5.499 7.811 1058 HH11 ARG 120 HH11 ARG 120 7.105 -5.616 8.918 1059 HH12 ARG 120 HH12 ARG 120 7.536 -5.709 10.595 1060 HH21 ARG 120 HH21 ARG 120 10.994 -5.620 10.027 1061 HH22 ARG 120 HH22 ARG 120 9.740 -5.710 11.225 1062 H ASP 121 H ASP 121 11.344 -2.743 6.186 1063 HA ASP 121 HA ASP 121 14.133 -3.456 5.793 1064 HB2 ASP 121 HB3 ASP 121 13.623 -1.658 4.102 1065 HB3 ASP 121 HB2 ASP 121 13.246 -0.587 5.449 1066 H GLY 122 H GLY 122 14.793 -3.815 7.786 1067 HA2 GLY 122 HA3 GLY 122 15.149 -3.524 10.043 1068 HA3 GLY 122 HA2 GLY 122 14.530 -1.887 9.875 1069 H ASP 123 H ASP 123 13.043 -1.718 11.450 1070 HA ASP 123 HA ASP 123 10.977 -3.801 11.605 1071 HB2 ASP 123 HB3 ASP 123 11.693 -1.579 13.529 1072 HB3 ASP 123 HB2 ASP 123 10.311 -2.651 13.734 1073 H TYR 124 H TYR 124 11.198 -1.844 9.474 1074 HA TYR 124 HA TYR 124 8.648 -0.436 9.868 1075 HB2 TYR 124 HB3 TYR 124 11.052 0.555 8.321 1076 HB3 TYR 124 HB2 TYR 124 9.499 1.375 8.435 1077 HD1 TYR 124 HD1 TYR 124 12.611 0.573 10.152 1078 HD2 TYR 124 HD2 TYR 124 8.839 2.505 10.494 1079 HE1 TYR 124 HE1 TYR 124 13.405 1.750 12.149 1080 HE2 TYR 124 HE2 TYR 124 9.617 3.696 12.505 1081 HH TYR 124 HH TYR 124 11.399 3.306 14.300 1082 H LEU 125 H LEU 125 7.196 -0.562 8.223 1083 HA LEU 125 HA LEU 125 7.812 -2.167 5.898 1084 HB2 LEU 125 HB3 LEU 125 5.604 -2.389 6.879 1085 HB3 LEU 125 HB2 LEU 125 5.343 -0.661 6.789 1086 HG LEU 125 HG LEU 125 5.449 -0.881 4.272 1087 HD11 LEU 125 HD11 LEU 125 5.236 -3.810 4.939 1088 HD12 LEU 125 HD12 LEU 125 6.594 -3.016 4.143 1089 HD13 LEU 125 HD13 LEU 125 5.027 -3.101 3.338 1090 HD21 LEU 125 HD21 LEU 125 3.258 -2.368 5.715 1091 HD22 LEU 125 HD22 LEU 125 3.155 -1.701 4.086 1092 HD23 LEU 125 HD23 LEU 125 3.341 -0.623 5.469 1093 H VAL 126 H VAL 126 8.569 -1.300 4.062 1094 HA VAL 126 HA VAL 126 8.556 1.638 3.888 1095 HB VAL 126 HB VAL 126 10.717 -0.226 2.879 1096 HG11 VAL 126 HG11 VAL 126 10.439 1.737 1.453 1097 HG12 VAL 126 HG12 VAL 126 11.946 1.838 2.364 1098 HG13 VAL 126 HG13 VAL 126 10.548 2.791 2.862 1099 HG21 VAL 126 HG21 VAL 126 10.782 -0.055 5.297 1100 HG22 VAL 126 HG22 VAL 126 10.696 1.704 5.201 1101 HG23 VAL 126 HG23 VAL 126 12.121 0.858 4.599 1102 H MET 127 H MET 127 7.331 2.307 2.337 1103 HA MET 127 HA MET 127 6.634 0.476 0.172 1104 HB2 MET 127 HB3 MET 127 4.714 1.486 1.121 1105 HB3 MET 127 HB2 MET 127 5.447 3.085 1.089 1106 HG2 MET 127 HG3 MET 127 5.258 3.236 -1.253 1107 HG3 MET 127 HG2 MET 127 4.871 1.526 -1.407 1108 HE1 MET 127 HE1 MET 127 2.664 1.135 0.952 1109 HE2 MET 127 HE2 MET 127 2.756 0.439 -0.665 1110 HE3 MET 127 HE3 MET 127 1.279 1.257 -0.139 1111 H LYS 128 H LYS 128 7.189 0.756 -1.893 1112 HA LYS 128 HA LYS 128 8.717 3.182 -2.552 1113 HB2 LYS 128 HB3 LYS 128 10.145 1.153 -2.555 1114 HB3 LYS 128 HB2 LYS 128 9.072 0.416 -3.735 1115 HG2 LYS 128 HG3 LYS 128 10.926 1.242 -4.936 1116 HG3 LYS 128 HG2 LYS 128 9.591 2.346 -5.261 1117 HD2 LYS 128 HD3 LYS 128 11.439 3.741 -4.864 1118 HD3 LYS 128 HD2 LYS 128 10.530 3.767 -3.353 1119 HE2 LYS 128 HE3 LYS 128 12.042 2.052 -2.441 1120 HE3 LYS 128 HE2 LYS 128 12.952 2.080 -3.949 1121 HZ1 LYS 128 HZ1 LYS 128 13.527 4.378 -3.537 1122 HZ2 LYS 128 HZ2 LYS 128 14.004 3.417 -2.231 1123 HZ3 LYS 128 HZ3 LYS 128 12.623 4.385 -2.102 1124 H MET 129 H MET 129 7.709 4.421 -3.935 1125 HA MET 129 HA MET 129 5.859 3.193 -5.882 1126 HB2 MET 129 HB3 MET 129 5.598 5.988 -4.765 1127 HB3 MET 129 HB2 MET 129 4.402 5.076 -5.672 1128 HG2 MET 129 HG3 MET 129 3.840 3.755 -3.863 1129 HG3 MET 129 HG2 MET 129 5.358 4.074 -3.033 1130 HE1 MET 129 HE1 MET 129 1.736 6.918 -3.203 1131 HE2 MET 129 HE2 MET 129 1.745 5.251 -3.778 1132 HE3 MET 129 HE3 MET 129 2.641 6.491 -4.654 1133 H SER 130 H SER 130 6.499 3.534 -7.967 1134 HA SER 130 HA SER 130 8.305 5.798 -8.433 1135 HB2 SER 130 HB3 SER 130 9.560 4.278 -10.044 1136 HB3 SER 130 HB2 SER 130 9.791 3.973 -8.324 1137 HG SER 130 HG SER 130 8.072 2.350 -8.590 1138 H TRP 131 H TRP 131 7.832 7.024 -10.051 1139 HA TRP 131 HA TRP 131 6.479 5.995 -12.420 1140 HB2 TRP 131 HB3 TRP 131 4.765 6.863 -10.681 1141 HB3 TRP 131 HB2 TRP 131 5.403 8.461 -11.069 1142 HD1 TRP 131 HD1 TRP 131 4.637 9.555 -13.323 1143 HE1 TRP 131 HE1 TRP 131 2.910 8.912 -15.119 1144 HE3 TRP 131 HE3 TRP 131 3.723 4.745 -11.869 1145 HZ2 TRP 131 HZ2 TRP 131 1.366 6.660 -15.824 1146 HZ3 TRP 131 HZ3 TRP 131 2.102 3.415 -13.156 1147 HH2 TRP 131 HH2 TRP 131 0.951 4.353 -15.093 1148 H LYS 132 H LYS 132 7.246 6.938 -14.212 1149 HA LYS 132 HA LYS 132 8.633 8.133 -15.529 1150 HB2 LYS 132 HB3 LYS 132 7.865 10.367 -13.645 1151 HB3 LYS 132 HB2 LYS 132 8.688 10.596 -15.177 1152 HG2 LYS 132 HG3 LYS 132 5.939 9.425 -14.827 1153 HG3 LYS 132 HG2 LYS 132 6.301 11.073 -15.342 1154 HD2 LYS 132 HD3 LYS 132 7.467 10.179 -17.312 1155 HD3 LYS 132 HD2 LYS 132 7.058 8.543 -16.796 1156 HE2 LYS 132 HE3 LYS 132 4.667 9.128 -16.945 1157 HE3 LYS 132 HE2 LYS 132 5.118 10.723 -17.543 1158 HZ1 LYS 132 HZ1 LYS 132 6.209 9.637 -19.432 1159 HZ2 LYS 132 HZ2 LYS 132 4.560 9.283 -19.367 1160 HZ3 LYS 132 HZ3 LYS 132 5.686 8.127 -18.869 1161 H GLY 133 H GLY 133 9.825 6.711 -13.358 1162 HA2 GLY 133 HA3 GLY 133 12.044 6.414 -12.733 1163 HA3 GLY 133 HA2 GLY 133 12.400 8.034 -13.311 1164 H VAL 134 H VAL 134 9.875 8.714 -11.541 1165 HA VAL 134 HA VAL 134 11.489 9.607 -9.322 1166 HB VAL 134 HB VAL 134 8.496 9.867 -9.552 1167 HG11 VAL 134 HG11 VAL 134 10.572 11.539 -8.145 1168 HG12 VAL 134 HG12 VAL 134 9.476 10.387 -7.383 1169 HG13 VAL 134 HG13 VAL 134 8.833 11.838 -8.154 1170 HG21 VAL 134 HG21 VAL 134 10.603 11.663 -10.745 1171 HG22 VAL 134 HG22 VAL 134 8.895 12.075 -10.589 1172 HG23 VAL 134 HG23 VAL 134 9.384 10.726 -11.614 1173 H SER 135 H SER 135 11.987 8.106 -7.819 1174 HA SER 135 HA SER 135 9.883 6.325 -6.882 1175 HB2 SER 135 HB3 SER 135 12.148 5.813 -5.382 1176 HB3 SER 135 HB2 SER 135 11.620 4.911 -6.795 1177 HG SER 135 HG SER 135 13.627 6.838 -6.530 1178 H THR 136 H THR 136 8.865 6.609 -5.046 1179 HA THR 136 HA THR 136 10.006 8.478 -3.081 1180 HB THR 136 HB THR 136 8.014 9.506 -3.982 1181 HG1 THR 136 HG1 THR 136 8.336 9.603 -1.678 1182 HG21 THR 136 HG21 THR 136 6.937 7.495 -4.870 1183 HG22 THR 136 HG22 THR 136 5.826 8.452 -3.888 1184 HG23 THR 136 HG23 THR 136 6.547 6.983 -3.227 1185 H SER 137 H SER 137 10.194 7.751 -1.034 1186 HA SER 137 HA SER 137 9.333 4.976 -0.567 1187 HB2 SER 137 HB3 SER 137 11.616 6.365 0.839 1188 HB3 SER 137 HB2 SER 137 11.283 4.637 0.745 1189 HG SER 137 HG SER 137 12.587 6.276 -1.026 1190 H ARG 138 H ARG 138 7.635 4.903 0.739 1191 HA ARG 138 HA ARG 138 7.363 6.960 2.809 1192 HB2 ARG 138 HB3 ARG 138 5.311 4.886 2.040 1193 HB3 ARG 138 HB2 ARG 138 5.057 6.338 2.997 1194 HG2 ARG 138 HG3 ARG 138 5.847 7.558 0.830 1195 HG3 ARG 138 HG2 ARG 138 5.397 6.041 0.049 1196 HD2 ARG 138 HD3 ARG 138 3.459 7.333 -0.086 1197 HD3 ARG 138 HD2 ARG 138 3.171 6.287 1.305 1198 HE ARG 138 HE ARG 138 4.353 8.766 2.074 1199 HH11 ARG 138 HH11 ARG 138 1.320 7.253 1.221 1200 HH12 ARG 138 HH12 ARG 138 0.355 8.458 2.005 1201 HH21 ARG 138 HH21 ARG 138 3.110 10.365 3.096 1202 HH22 ARG 138 HH22 ARG 138 1.370 10.240 3.078 1203 H TYR 139 H TYR 139 7.830 6.517 4.841 1204 HA TYR 139 HA TYR 139 8.598 3.766 5.481 1205 HB2 TYR 139 HB3 TYR 139 9.274 6.398 6.807 1206 HB3 TYR 139 HB2 TYR 139 9.781 4.827 7.418 1207 HD1 TYR 139 HD1 TYR 139 10.207 7.259 4.674 1208 HD2 TYR 139 HD2 TYR 139 11.578 3.621 6.403 1209 HE1 TYR 139 HE1 TYR 139 12.205 7.335 3.235 1210 HE2 TYR 139 HE2 TYR 139 13.574 3.686 4.973 1211 HH TYR 139 HH TYR 139 14.279 4.674 2.837 1212 H TYR 140 H TYR 140 7.116 2.599 6.427 1213 HA TYR 140 HA TYR 140 5.237 3.873 8.299 1214 HB2 TYR 140 HB3 TYR 140 5.049 1.317 6.692 1215 HB3 TYR 140 HB2 TYR 140 3.902 1.748 7.954 1216 HD1 TYR 140 HD1 TYR 140 2.155 3.320 7.540 1217 HD2 TYR 140 HD2 TYR 140 5.211 2.698 4.647 1218 HE1 TYR 140 HE1 TYR 140 0.842 4.577 5.883 1219 HE2 TYR 140 HE2 TYR 140 3.908 3.950 2.990 1220 HH TYR 140 HH TYR 140 1.183 5.832 3.789 1221 H LYS 141 H LYS 141 5.303 3.315 10.399 1222 HA LYS 141 HA LYS 141 6.976 1.016 11.162 1223 HB2 LYS 141 HB3 LYS 141 7.084 1.941 13.366 1224 HB3 LYS 141 HB2 LYS 141 7.568 3.174 12.209 1225 HG2 LYS 141 HG3 LYS 141 5.677 4.424 12.543 1226 HG3 LYS 141 HG2 LYS 141 4.736 3.039 13.111 1227 HD2 LYS 141 HD3 LYS 141 5.364 4.635 14.900 1228 HD3 LYS 141 HD2 LYS 141 5.937 2.995 15.175 1229 HE2 LYS 141 HE3 LYS 141 8.123 3.605 14.274 1230 HE3 LYS 141 HE2 LYS 141 7.561 5.263 14.044 1231 HZ1 LYS 141 HZ1 LYS 141 8.848 4.994 16.091 1232 HZ2 LYS 141 HZ2 LYS 141 7.714 3.880 16.667 1233 HZ3 LYS 141 HZ3 LYS 141 7.262 5.489 16.412 1234 H LYS 142 H LYS 142 5.968 -0.320 12.992 1235 HA LYS 142 HA LYS 142 3.311 -0.988 12.570 1236 HB2 LYS 142 HB3 LYS 142 4.918 -1.250 15.108 1237 HB3 LYS 142 HB2 LYS 142 3.364 -2.018 14.838 1238 HG2 LYS 142 HG3 LYS 142 5.894 -2.523 13.289 1239 HG3 LYS 142 HG2 LYS 142 5.163 -3.577 14.497 1240 HD2 LYS 142 HD3 LYS 142 3.882 -2.780 11.887 1241 HD3 LYS 142 HD2 LYS 142 4.690 -4.315 12.196 1242 HE2 LYS 142 HE3 LYS 142 2.276 -3.288 13.685 1243 HE3 LYS 142 HE2 LYS 142 2.236 -4.470 12.381 1244 HZ1 LYS 142 HZ1 LYS 142 2.177 -5.445 14.639 1245 HZ2 LYS 142 HZ2 LYS 142 3.739 -4.856 14.909 1246 HZ3 LYS 142 HZ3 LYS 142 3.463 -5.999 13.699 1247 H GLN 143 H GLN 143 1.488 -0.745 14.211 1248 HA GLN 143 HA GLN 143 1.464 1.809 15.549 1249 HB2 GLN 143 HB3 GLN 143 -0.469 -0.523 15.586 1250 HB3 GLN 143 HB2 GLN 143 -0.724 0.954 16.501 1251 HG2 GLN 143 HG3 GLN 143 -0.281 1.083 13.554 1252 HG3 GLN 143 HG2 GLN 143 -1.858 0.633 14.196 1253 HE21 GLN 143 HE21 GLN 143 0.295 2.916 15.753 1254 HE22 GLN 143 HE22 GLN 143 -0.694 4.306 15.499 1255 H21 OLA1001 H21 OLA1001 -0.564 4.617 -1.618 1256 H22 OLA1001 H22 OLA1001 0.889 5.426 -1.030 1257 H31 OLA1001 H31 OLA1001 -0.410 6.704 0.548 1258 H32 OLA1001 H32 OLA1001 -1.878 5.835 0.087 1259 H41 OLA1001 H41 OLA1001 -1.790 6.744 -2.129 1260 H42 OLA1001 H42 OLA1001 -0.219 7.479 -1.810 1261 H51 OLA1001 H51 OLA1001 -2.009 9.128 -1.717 1262 H52 OLA1001 H52 OLA1001 -1.217 8.948 -0.155 1263 H61 OLA1001 H61 OLA1001 -3.026 7.749 0.750 1264 H62 OLA1001 H62 OLA1001 -3.735 7.462 -0.841 1265 H71 OLA1001 H71 OLA1001 -3.399 10.222 0.302 1266 H72 OLA1001 H72 OLA1001 -4.841 9.246 0.593 1267 H81 OLA1001 H81 OLA1001 -5.382 9.186 -1.702 1268 H82 OLA1001 H82 OLA1001 -3.800 9.808 -2.166 1269 H9 OLA1001 H9 OLA1001 -4.589 11.972 -0.870 1270 H10 OLA1001 H10 OLA1001 -6.492 12.694 -2.083 1271 H111 OLA1001 H111 OLA1001 -8.093 11.066 -2.812 1272 H112 OLA1001 H112 OLA1001 -6.920 9.765 -2.733 1273 H121 OLA1001 H121 OLA1001 -6.893 11.970 -4.782 1274 H122 OLA1001 H122 OLA1001 -7.579 10.364 -5.032 1275 H131 OLA1001 H131 OLA1001 -4.715 10.821 -4.233 1276 H132 OLA1001 H132 OLA1001 -5.245 10.718 -5.921 1277 H141 OLA1001 H141 OLA1001 -6.187 8.480 -5.459 1278 H142 OLA1001 H142 OLA1001 -5.554 8.582 -3.813 1279 H151 OLA1001 H151 OLA1001 -3.954 8.581 -6.361 1280 H152 OLA1001 H152 OLA1001 -4.052 7.279 -5.174 1281 H161 OLA1001 H161 OLA1001 -3.050 8.762 -3.492 1282 H162 OLA1001 H162 OLA1001 -2.922 10.031 -4.707 1283 H171 OLA1001 H171 OLA1001 -1.457 8.604 -6.040 1284 H172 OLA1001 H172 OLA1001 -1.569 7.347 -4.804 1285 H181 OLA1001 H181 OLA1001 0.241 8.265 -3.904 1286 H182 OLA1001 H182 OLA1001 -0.820 9.590 -3.392 1287 H183 OLA1001 H183 OLA1001 0.092 9.712 -4.911 Start of MODEL 19 1 H1 MET -11 H1 MET -11 11.070 -34.068 -7.780 2 H2 MET -11 H2 MET -11 10.097 -32.944 -8.584 3 H3 MET -11 H3 MET -11 11.425 -33.624 -9.371 4 HA MET -11 HA MET -11 10.414 -35.780 -9.356 5 HB2 MET -11 HB3 MET -11 8.180 -34.334 -7.922 6 HB3 MET -11 HB2 MET -11 7.992 -35.919 -8.655 7 HG2 MET -11 HG3 MET -11 9.757 -36.787 -7.179 8 HG3 MET -11 HG2 MET -11 9.873 -35.202 -6.419 9 HE1 MET -11 HE1 MET -11 7.633 -38.346 -7.044 10 HE2 MET -11 HE2 MET -11 6.591 -37.056 -7.644 11 HE3 MET -11 HE3 MET -11 6.156 -37.930 -6.177 12 H ARG -10 H ARG -10 9.439 -36.373 -11.224 13 HA ARG -10 HA ARG -10 8.755 -34.225 -13.045 14 HB2 ARG -10 HB3 ARG -10 8.666 -36.011 -14.751 15 HB3 ARG -10 HB2 ARG -10 10.189 -35.996 -13.875 16 HG2 ARG -10 HG3 ARG -10 9.526 -37.892 -12.569 17 HG3 ARG -10 HG2 ARG -10 7.901 -37.849 -13.254 18 HD2 ARG -10 HD3 ARG -10 10.437 -38.338 -14.810 19 HD3 ARG -10 HD2 ARG -10 9.322 -39.592 -14.267 20 HE ARG -10 HE ARG -10 7.882 -37.705 -15.755 21 HH11 ARG -10 HH11 ARG -10 10.334 -40.153 -16.195 22 HH12 ARG -10 HH12 ARG -10 9.910 -40.464 -17.849 23 HH21 ARG -10 HH21 ARG -10 7.305 -38.116 -17.924 24 HH22 ARG -10 HH22 ARG -10 8.182 -39.305 -18.833 25 H GLY -9 H GLY -9 6.806 -34.166 -14.260 26 HA2 GLY -9 HA3 GLY -9 4.621 -35.545 -14.477 27 HA3 GLY -9 HA2 GLY -9 4.519 -35.222 -12.752 28 H SER -8 H SER -8 5.781 -32.983 -15.134 29 HA SER -8 HA SER -8 5.222 -30.861 -15.674 30 HB2 SER -8 HB3 SER -8 2.413 -31.974 -15.464 31 HB3 SER -8 HB2 SER -8 2.857 -30.466 -16.265 32 HG SER -8 HG SER -8 4.098 -31.661 -17.733 33 H HIS -7 H HIS -7 5.903 -31.088 -13.082 34 HA HIS -7 HA HIS -7 3.896 -29.925 -11.372 35 HB2 HIS -7 HB3 HIS -7 6.799 -30.617 -10.935 36 HB3 HIS -7 HB2 HIS -7 5.813 -29.828 -9.711 37 HD1 HIS -7 HD1 HIS -7 6.873 -33.068 -10.762 38 HD2 HIS -7 HD2 HIS -7 3.402 -31.508 -9.087 39 HE1 HIS -7 HE1 HIS -7 5.650 -35.035 -9.783 40 HE2 HIS -7 HE2 HIS -7 3.672 -34.034 -8.591 41 H HIS -6 H HIS -6 3.436 -27.974 -12.415 42 HA HIS -6 HA HIS -6 5.302 -25.879 -11.671 43 HB2 HIS -6 HB3 HIS -6 4.905 -24.699 -13.886 44 HB3 HIS -6 HB2 HIS -6 5.987 -26.083 -13.919 45 HD1 HIS -6 HD1 HIS -6 5.422 -27.942 -15.498 46 HD2 HIS -6 HD2 HIS -6 2.328 -25.200 -15.095 47 HE1 HIS -6 HE1 HIS -6 3.746 -28.548 -17.270 48 HE2 HIS -6 HE2 HIS -6 1.823 -26.962 -16.917 49 H HIS -5 H HIS -5 3.653 -25.790 -10.032 50 HA HIS -5 HA HIS -5 2.056 -24.566 -8.983 51 HB2 HIS -5 HB3 HIS -5 1.872 -22.974 -11.542 52 HB3 HIS -5 HB2 HIS -5 1.275 -22.496 -9.959 53 HD1 HIS -5 HD1 HIS -5 3.683 -21.308 -11.958 54 HD2 HIS -5 HD2 HIS -5 3.946 -23.012 -8.177 55 HE1 HIS -5 HE1 HIS -5 5.839 -20.462 -10.984 56 HE2 HIS -5 HE2 HIS -5 6.058 -21.639 -8.767 57 H HIS -4 H HIS -4 0.925 -26.690 -9.299 58 HA HIS -4 HA HIS -4 -1.521 -26.346 -10.884 59 HB2 HIS -4 HB3 HIS -4 -0.154 -28.740 -9.710 60 HB3 HIS -4 HB2 HIS -4 -1.879 -28.804 -10.047 61 HD1 HIS -4 HD1 HIS -4 -2.104 -30.147 -12.093 62 HD2 HIS -4 HD2 HIS -4 1.008 -27.410 -12.379 63 HE1 HIS -4 HE1 HIS -4 -1.249 -30.341 -14.445 64 HE2 HIS -4 HE2 HIS -4 0.479 -28.532 -14.651 65 H HIS -3 H HIS -3 -0.565 -27.506 -7.651 66 HA HIS -3 HA HIS -3 -3.128 -26.487 -6.619 67 HB2 HIS -3 HB3 HIS -3 -1.266 -28.630 -5.591 68 HB3 HIS -3 HB2 HIS -3 -2.544 -27.940 -4.597 69 HD1 HIS -3 HD1 HIS -3 -1.920 -30.703 -6.769 70 HD2 HIS -3 HD2 HIS -3 -5.191 -28.258 -5.989 71 HE1 HIS -3 HE1 HIS -3 -3.929 -31.982 -7.575 72 HE2 HIS -3 HE2 HIS -3 -5.875 -30.419 -7.229 73 H HIS -2 H HIS -2 -0.386 -25.169 -7.118 74 HA HIS -2 HA HIS -2 -0.297 -23.799 -4.530 75 HB2 HIS -2 HB3 HIS -2 1.546 -25.443 -4.547 76 HB3 HIS -2 HB2 HIS -2 2.154 -24.742 -6.040 77 HD1 HIS -2 HD1 HIS -2 4.181 -23.433 -5.545 78 HD2 HIS -2 HD2 HIS -2 1.330 -23.047 -2.542 79 HE1 HIS -2 HE1 HIS -2 5.165 -21.830 -3.875 80 HE2 HIS -2 HE2 HIS -2 3.510 -21.775 -1.979 81 H GLY -1 H GLY -1 -1.482 -22.168 -5.589 82 HA2 GLY -1 HA3 GLY -1 -0.065 -20.736 -7.733 83 HA3 GLY -1 HA2 GLY -1 -1.773 -20.578 -7.356 84 H SER 0 H SER 0 -1.192 -20.416 -4.451 85 HA SER 0 HA SER 0 -0.507 -17.566 -4.472 86 HB2 SER 0 HB3 SER 0 -1.950 -19.176 -2.356 87 HB3 SER 0 HB2 SER 0 -1.699 -17.429 -2.343 88 HG SER 0 HG SER 0 -2.794 -18.030 -4.672 89 H LYS 1 H LYS 1 1.420 -16.990 -3.756 90 HA LYS 1 HA LYS 1 3.018 -18.543 -1.979 91 HB2 LYS 1 HB3 LYS 1 3.120 -15.566 -2.516 92 HB3 LYS 1 HB2 LYS 1 4.389 -16.524 -1.771 93 HG2 LYS 1 HG3 LYS 1 4.672 -17.759 -3.874 94 HG3 LYS 1 HG2 LYS 1 3.417 -16.759 -4.612 95 HD2 LYS 1 HD3 LYS 1 4.798 -14.758 -4.080 96 HD3 LYS 1 HD2 LYS 1 6.075 -15.835 -3.525 97 HE2 LYS 1 HE3 LYS 1 4.913 -15.765 -6.308 98 HE3 LYS 1 HE2 LYS 1 6.451 -15.054 -5.821 99 HZ1 LYS 1 HZ1 LYS 1 5.751 -17.938 -5.765 100 HZ2 LYS 1 HZ2 LYS 1 7.205 -17.288 -5.199 101 HZ3 LYS 1 HZ3 LYS 1 6.814 -17.181 -6.839 102 H THR 2 H THR 2 3.442 -17.975 0.273 103 HA THR 2 HA THR 2 1.069 -16.875 1.565 104 HB THR 2 HB THR 2 3.296 -18.116 3.118 105 HG1 THR 2 HG1 THR 2 1.423 -19.475 1.448 106 HG21 THR 2 HG21 THR 2 1.364 -17.178 4.273 107 HG22 THR 2 HG22 THR 2 1.394 -18.932 4.454 108 HG23 THR 2 HG23 THR 2 0.285 -18.180 3.303 109 H LEU 3 H LEU 3 1.101 -14.975 2.544 110 HA LEU 3 HA LEU 3 3.161 -13.146 2.119 111 HB2 LEU 3 HB3 LEU 3 0.647 -13.139 3.639 112 HB3 LEU 3 HB2 LEU 3 1.860 -12.003 4.195 113 HG LEU 3 HG LEU 3 0.483 -12.095 1.522 114 HD11 LEU 3 HD11 LEU 3 -0.015 -9.767 2.091 115 HD12 LEU 3 HD12 LEU 3 0.861 -9.959 3.611 116 HD13 LEU 3 HD13 LEU 3 -0.619 -10.882 3.319 117 HD21 LEU 3 HD21 LEU 3 2.995 -10.618 2.281 118 HD22 LEU 3 HD22 LEU 3 1.984 -10.199 0.896 119 HD23 LEU 3 HD23 LEU 3 2.782 -11.770 0.960 120 HA PRO 4 HA PRO 4 6.044 -14.056 5.423 121 HB2 PRO 4 HB3 PRO 4 6.914 -11.314 4.702 122 HB3 PRO 4 HB2 PRO 4 7.862 -12.800 4.806 123 HG2 PRO 4 HG3 PRO 4 7.221 -11.705 2.445 124 HG3 PRO 4 HG2 PRO 4 7.308 -13.461 2.668 125 HD2 PRO 4 HD3 PRO 4 4.913 -11.691 2.474 126 HD3 PRO 4 HD2 PRO 4 5.149 -13.351 1.888 127 H ASP 5 H ASP 5 5.533 -13.758 7.459 128 HA ASP 5 HA ASP 5 3.637 -12.142 8.563 129 HB2 ASP 5 HB3 ASP 5 4.500 -13.935 9.848 130 HB3 ASP 5 HB2 ASP 5 6.146 -13.326 9.739 131 H LYS 6 H LYS 6 6.928 -11.295 7.806 132 HA LYS 6 HA LYS 6 7.125 -8.939 9.299 133 HB2 LYS 6 HB3 LYS 6 8.500 -9.851 6.785 134 HB3 LYS 6 HB2 LYS 6 8.908 -8.351 7.603 135 HG2 LYS 6 HG3 LYS 6 9.503 -9.566 9.604 136 HG3 LYS 6 HG2 LYS 6 9.012 -11.081 8.852 137 HD2 LYS 6 HD3 LYS 6 10.757 -10.806 7.162 138 HD3 LYS 6 HD2 LYS 6 11.244 -9.284 7.913 139 HE2 LYS 6 HE3 LYS 6 12.702 -11.113 8.602 140 HE3 LYS 6 HE2 LYS 6 11.799 -10.465 9.968 141 HZ1 LYS 6 HZ1 LYS 6 11.827 -12.863 10.024 142 HZ2 LYS 6 HZ2 LYS 6 11.153 -12.948 8.475 143 HZ3 LYS 6 HZ3 LYS 6 10.248 -12.319 9.757 144 H PHE 7 H PHE 7 5.252 -9.519 6.412 145 HA PHE 7 HA PHE 7 5.142 -6.631 5.923 146 HB2 PHE 7 HB3 PHE 7 4.020 -8.960 4.351 147 HB3 PHE 7 HB2 PHE 7 3.761 -7.273 3.930 148 HD1 PHE 7 HD1 PHE 7 6.521 -6.236 4.526 149 HD2 PHE 7 HD2 PHE 7 5.187 -9.719 2.478 150 HE1 PHE 7 HE1 PHE 7 8.588 -6.240 3.197 151 HE2 PHE 7 HE2 PHE 7 7.258 -9.733 1.150 152 HZ PHE 7 HZ PHE 7 8.961 -7.992 1.509 153 H LEU 8 H LEU 8 3.743 -8.703 7.970 154 HA LEU 8 HA LEU 8 0.994 -7.842 7.471 155 HB2 LEU 8 HB3 LEU 8 2.065 -10.111 9.144 156 HB3 LEU 8 HB2 LEU 8 0.365 -9.729 8.929 157 HG LEU 8 HG LEU 8 2.242 -10.514 6.698 158 HD11 LEU 8 HD11 LEU 8 1.789 -12.357 8.271 159 HD12 LEU 8 HD12 LEU 8 1.127 -12.631 6.660 160 HD13 LEU 8 HD13 LEU 8 0.063 -12.142 7.981 161 HD21 LEU 8 HD21 LEU 8 0.119 -10.773 5.437 162 HD22 LEU 8 HD22 LEU 8 0.504 -9.112 5.882 163 HD23 LEU 8 HD23 LEU 8 -0.721 -10.003 6.785 164 H GLY 9 H GLY 9 -0.235 -6.892 9.005 165 HA2 GLY 9 HA3 GLY 9 -0.352 -6.441 11.517 166 HA3 GLY 9 HA2 GLY 9 1.243 -5.738 11.280 167 H THR 10 H THR 10 -0.481 -4.087 12.367 168 HA THR 10 HA THR 10 -1.448 -2.385 10.184 169 HB THR 10 HB THR 10 -2.133 -2.221 13.128 170 HG1 THR 10 HG1 THR 10 -2.986 -3.918 11.233 171 HG21 THR 10 HG21 THR 10 -4.000 -0.807 12.293 172 HG22 THR 10 HG22 THR 10 -3.270 -0.860 10.688 173 HG23 THR 10 HG23 THR 10 -2.410 -0.100 12.021 174 H PHE 11 H PHE 11 -0.385 -0.564 9.762 175 HA PHE 11 HA PHE 11 1.825 0.148 11.579 176 HB2 PHE 11 HB3 PHE 11 1.701 0.440 8.570 177 HB3 PHE 11 HB2 PHE 11 3.090 0.783 9.593 178 HD1 PHE 11 HD1 PHE 11 4.119 -1.142 10.886 179 HD2 PHE 11 HD2 PHE 11 1.359 -1.702 7.698 180 HE1 PHE 11 HE1 PHE 11 4.889 -3.462 10.632 181 HE2 PHE 11 HE2 PHE 11 2.122 -4.025 7.437 182 HZ PHE 11 HZ PHE 11 3.889 -4.908 8.906 183 H LYS 12 H LYS 12 1.857 2.179 12.436 184 HA LYS 12 HA LYS 12 0.351 4.381 11.457 185 HB2 LYS 12 HB3 LYS 12 2.665 4.008 13.310 186 HB3 LYS 12 HB2 LYS 12 2.223 5.628 12.789 187 HG2 LYS 12 HG3 LYS 12 -0.040 5.264 13.637 188 HG3 LYS 12 HG2 LYS 12 0.444 3.667 14.199 189 HD2 LYS 12 HD3 LYS 12 2.034 4.624 15.719 190 HD3 LYS 12 HD2 LYS 12 1.744 6.239 15.063 191 HE2 LYS 12 HE3 LYS 12 0.474 6.170 17.021 192 HE3 LYS 12 HE2 LYS 12 -0.670 5.884 15.709 193 HZ1 LYS 12 HZ1 LYS 12 -0.859 4.388 17.720 194 HZ2 LYS 12 HZ2 LYS 12 0.578 3.651 17.202 195 HZ3 LYS 12 HZ3 LYS 12 -0.800 3.623 16.214 196 H LEU 13 H LEU 13 2.092 6.463 11.205 197 HA LEU 13 HA LEU 13 3.868 5.798 8.966 198 HB2 LEU 13 HB3 LEU 13 1.445 6.563 8.315 199 HB3 LEU 13 HB2 LEU 13 2.021 8.153 8.765 200 HG LEU 13 HG LEU 13 3.169 6.409 6.579 201 HD11 LEU 13 HD11 LEU 13 1.604 8.977 6.429 202 HD12 LEU 13 HD12 LEU 13 0.970 7.373 6.077 203 HD13 LEU 13 HD13 LEU 13 2.244 8.055 5.069 204 HD21 LEU 13 HD21 LEU 13 3.904 9.214 7.410 205 HD22 LEU 13 HD22 LEU 13 4.511 8.368 5.986 206 HD23 LEU 13 HD23 LEU 13 4.907 7.778 7.599 207 H GLU 14 H GLU 14 5.803 6.543 9.653 208 HA GLU 14 HA GLU 14 5.954 8.741 11.509 209 HB2 GLU 14 HB3 GLU 14 7.447 6.765 11.654 210 HB3 GLU 14 HB2 GLU 14 8.180 7.234 10.129 211 HG2 GLU 14 HG3 GLU 14 9.606 7.934 11.907 212 HG3 GLU 14 HG2 GLU 14 8.885 9.365 11.174 213 H ARG 15 H ARG 15 7.091 8.167 8.160 214 HA ARG 15 HA ARG 15 6.876 10.963 7.535 215 HB2 ARG 15 HB3 ARG 15 9.224 11.382 7.126 216 HB3 ARG 15 HB2 ARG 15 9.011 10.881 8.799 217 HG2 ARG 15 HG3 ARG 15 9.743 8.624 8.218 218 HG3 ARG 15 HG2 ARG 15 9.954 9.132 6.539 219 HD2 ARG 15 HD3 ARG 15 11.597 10.802 7.294 220 HD3 ARG 15 HD2 ARG 15 11.418 10.207 8.940 221 HE ARG 15 HE ARG 15 12.214 8.002 7.937 222 HH11 ARG 15 HH11 ARG 15 13.186 11.145 6.735 223 HH12 ARG 15 HH12 ARG 15 14.740 10.599 6.190 224 HH21 ARG 15 HH21 ARG 15 14.269 7.277 7.210 225 HH22 ARG 15 HH22 ARG 15 15.357 8.403 6.466 226 H ASP 16 H ASP 16 8.139 11.319 5.329 227 HA ASP 16 HA ASP 16 8.069 8.972 3.624 228 HB2 ASP 16 HB3 ASP 16 6.580 9.963 1.969 229 HB3 ASP 16 HB2 ASP 16 5.756 9.809 3.514 230 H GLU 17 H GLU 17 8.878 9.522 1.391 231 HA GLU 17 HA GLU 17 10.603 11.878 1.364 232 HB2 GLU 17 HB3 GLU 17 11.932 10.041 2.349 233 HB3 GLU 17 HB2 GLU 17 11.617 9.058 0.924 234 HG2 GLU 17 HG3 GLU 17 13.811 9.988 0.765 235 HG3 GLU 17 HG2 GLU 17 12.787 10.751 -0.446 236 H ASN 18 H ASN 18 10.587 12.829 -0.550 237 HA ASN 18 HA ASN 18 10.473 13.241 -2.779 238 HB2 ASN 18 HB3 ASN 18 12.114 11.155 -2.595 239 HB3 ASN 18 HB2 ASN 18 10.811 10.353 -3.462 240 HD21 ASN 18 HD21 ASN 18 10.380 10.936 -5.576 241 HD22 ASN 18 HD22 ASN 18 11.458 11.912 -6.511 242 H PHE 19 H PHE 19 8.104 12.336 -1.243 243 HA PHE 19 HA PHE 19 6.524 10.718 -3.021 244 HB2 PHE 19 HB3 PHE 19 6.319 10.751 -0.481 245 HB3 PHE 19 HB2 PHE 19 5.474 12.287 -0.669 246 HD1 PHE 19 HD1 PHE 19 5.323 8.680 -1.242 247 HD2 PHE 19 HD2 PHE 19 3.259 12.383 -1.593 248 HE1 PHE 19 HE1 PHE 19 3.229 7.467 -1.667 249 HE2 PHE 19 HE2 PHE 19 1.164 11.176 -2.015 250 HZ PHE 19 HZ PHE 19 1.143 8.715 -2.053 251 H ASP 20 H ASP 20 6.613 14.129 -2.091 252 HA ASP 20 HA ASP 20 4.461 15.031 -3.615 253 HB2 ASP 20 HB3 ASP 20 5.774 16.344 -1.916 254 HB3 ASP 20 HB2 ASP 20 7.043 16.523 -3.121 255 H GLU 21 H GLU 21 7.885 14.702 -4.477 256 HA GLU 21 HA GLU 21 7.839 15.515 -7.111 257 HB2 GLU 21 HB3 GLU 21 9.380 13.182 -5.983 258 HB3 GLU 21 HB2 GLU 21 9.728 14.004 -7.496 259 HG2 GLU 21 HG3 GLU 21 9.942 15.121 -4.722 260 HG3 GLU 21 HG2 GLU 21 11.247 14.767 -5.842 261 H TYR 22 H TYR 22 7.043 12.331 -5.774 262 HA TYR 22 HA TYR 22 6.519 11.021 -8.191 263 HB2 TYR 22 HB3 TYR 22 6.769 9.789 -6.123 264 HB3 TYR 22 HB2 TYR 22 5.347 10.572 -5.440 265 HD1 TYR 22 HD1 TYR 22 3.181 9.724 -5.843 266 HD2 TYR 22 HD2 TYR 22 6.482 8.200 -8.051 267 HE1 TYR 22 HE1 TYR 22 1.769 7.905 -6.694 268 HE2 TYR 22 HE2 TYR 22 5.077 6.374 -8.905 269 HH TYR 22 HH TYR 22 3.100 5.227 -8.503 270 H LEU 23 H LEU 23 4.479 13.112 -6.216 271 HA LEU 23 HA LEU 23 2.026 12.431 -7.454 272 HB2 LEU 23 HB3 LEU 23 2.855 14.933 -5.990 273 HB3 LEU 23 HB2 LEU 23 1.212 14.584 -6.490 274 HG LEU 23 HG LEU 23 2.854 13.044 -4.481 275 HD11 LEU 23 HD11 LEU 23 0.318 14.641 -4.196 276 HD12 LEU 23 HD12 LEU 23 1.923 15.150 -3.669 277 HD13 LEU 23 HD13 LEU 23 1.146 13.758 -2.913 278 HD21 LEU 23 HD21 LEU 23 1.527 11.485 -5.776 279 HD22 LEU 23 HD22 LEU 23 0.089 12.481 -5.546 280 HD23 LEU 23 HD23 LEU 23 0.835 11.677 -4.166 281 H LYS 24 H LYS 24 4.455 14.895 -8.125 282 HA LYS 24 HA LYS 24 3.035 16.208 -10.199 283 HB2 LYS 24 HB3 LYS 24 6.014 15.942 -9.759 284 HB3 LYS 24 HB2 LYS 24 5.257 17.063 -10.877 285 HG2 LYS 24 HG3 LYS 24 4.154 18.186 -9.008 286 HG3 LYS 24 HG2 LYS 24 4.921 17.061 -7.886 287 HD2 LYS 24 HD3 LYS 24 6.399 18.927 -9.740 288 HD3 LYS 24 HD2 LYS 24 6.087 19.239 -8.032 289 HE2 LYS 24 HE3 LYS 24 7.361 17.271 -7.420 290 HE3 LYS 24 HE2 LYS 24 7.643 16.898 -9.118 291 HZ1 LYS 24 HZ1 LYS 24 8.598 19.324 -7.698 292 HZ2 LYS 24 HZ2 LYS 24 8.884 18.959 -9.324 293 HZ3 LYS 24 HZ3 LYS 24 9.549 17.982 -8.108 294 H ALA 25 H ALA 25 5.363 13.572 -10.159 295 HA ALA 25 HA ALA 25 5.584 13.095 -12.897 296 HB1 ALA 25 HB1 ALA 25 6.375 10.893 -12.315 297 HB2 ALA 25 HB2 ALA 25 5.656 11.023 -10.711 298 HB3 ALA 25 HB3 ALA 25 7.005 12.067 -11.159 299 H ARG 26 H ARG 26 3.218 11.888 -10.577 300 HA ARG 26 HA ARG 26 1.883 10.215 -12.490 301 HB2 ARG 26 HB3 ARG 26 1.276 11.054 -9.680 302 HB3 ARG 26 HB2 ARG 26 0.060 10.223 -10.639 303 HG2 ARG 26 HG3 ARG 26 2.825 9.145 -10.159 304 HG3 ARG 26 HG2 ARG 26 1.424 8.750 -9.162 305 HD2 ARG 26 HD3 ARG 26 1.550 8.300 -12.140 306 HD3 ARG 26 HD2 ARG 26 1.955 7.072 -10.944 307 HE ARG 26 HE ARG 26 -0.411 7.448 -10.110 308 HH11 ARG 26 HH11 ARG 26 0.520 7.830 -13.475 309 HH12 ARG 26 HH12 ARG 26 -1.055 7.446 -14.100 310 HH21 ARG 26 HH21 ARG 26 -2.495 6.941 -10.938 311 HH22 ARG 26 HH22 ARG 26 -2.767 6.944 -12.659 312 H GLY 27 H GLY 27 1.893 13.523 -12.042 313 HA2 GLY 27 HA3 GLY 27 0.810 15.014 -13.474 314 HA3 GLY 27 HA2 GLY 27 -0.312 13.739 -13.922 315 H TYR 28 H TYR 28 0.219 14.255 -10.555 316 HA TYR 28 HA TYR 28 -2.504 15.108 -10.202 317 HB2 TYR 28 HB3 TYR 28 -0.221 14.651 -8.284 318 HB3 TYR 28 HB2 TYR 28 -1.771 15.299 -7.759 319 HD1 TYR 28 HD1 TYR 28 0.098 12.348 -8.335 320 HD2 TYR 28 HD2 TYR 28 -3.864 13.888 -8.357 321 HE1 TYR 28 HE1 TYR 28 -0.782 10.063 -8.105 322 HE2 TYR 28 HE2 TYR 28 -4.762 11.612 -8.125 323 HH TYR 28 HH TYR 28 -2.742 8.900 -7.421 324 H GLY 29 H GLY 29 -3.230 17.109 -10.074 325 HA2 GLY 29 HA3 GLY 29 -1.461 19.305 -10.563 326 HA3 GLY 29 HA2 GLY 29 -3.199 19.399 -10.313 327 H TRP 30 H TRP 30 -2.002 21.386 -9.205 328 HA TRP 30 HA TRP 30 -0.567 21.156 -6.873 329 HB2 TRP 30 HB3 TRP 30 -0.808 23.307 -7.889 330 HB3 TRP 30 HB2 TRP 30 -2.561 23.268 -7.705 331 HD1 TRP 30 HD1 TRP 30 0.642 23.755 -5.643 332 HE1 TRP 30 HE1 TRP 30 0.009 24.847 -3.401 333 HE3 TRP 30 HE3 TRP 30 -4.443 23.655 -6.102 334 HZ2 TRP 30 HZ2 TRP 30 -2.350 25.549 -2.025 335 HZ3 TRP 30 HZ3 TRP 30 -5.812 24.557 -4.276 336 HH2 TRP 30 HH2 TRP 30 -4.777 25.485 -2.274 337 H ILE 31 H ILE 31 -4.094 21.084 -7.230 338 HA ILE 31 HA ILE 31 -4.795 21.376 -4.540 339 HB ILE 31 HB ILE 31 -6.226 19.795 -6.677 340 HG12 ILE 31 HG13 ILE 31 -7.775 21.804 -6.599 341 HG13 ILE 31 HG12 ILE 31 -6.517 22.621 -5.675 342 HG21 ILE 31 HG21 ILE 31 -7.140 20.606 -3.931 343 HG22 ILE 31 HG22 ILE 31 -6.927 18.966 -4.560 344 HG23 ILE 31 HG23 ILE 31 -8.208 19.999 -5.201 345 HD11 ILE 31 HD11 ILE 31 -6.084 21.406 -8.375 346 HD12 ILE 31 HD12 ILE 31 -4.986 22.446 -7.471 347 HD13 ILE 31 HD13 ILE 31 -6.494 23.103 -8.111 348 H MET 32 H MET 32 -4.516 18.428 -6.463 349 HA MET 32 HA MET 32 -4.926 16.759 -4.273 350 HB2 MET 32 HB3 MET 32 -3.726 16.184 -6.975 351 HB3 MET 32 HB2 MET 32 -4.154 14.945 -5.802 352 HG2 MET 32 HG3 MET 32 -6.007 16.854 -7.187 353 HG3 MET 32 HG2 MET 32 -5.909 15.119 -7.408 354 HE1 MET 32 HE1 MET 32 -5.411 14.548 -4.107 355 HE2 MET 32 HE2 MET 32 -6.154 13.479 -5.296 356 HE3 MET 32 HE3 MET 32 -7.030 13.906 -3.818 357 H ARG 33 H ARG 33 -2.173 18.282 -5.618 358 HA ARG 33 HA ARG 33 -0.205 16.614 -4.365 359 HB2 ARG 33 HB3 ARG 33 0.050 17.920 -6.523 360 HB3 ARG 33 HB2 ARG 33 0.161 19.369 -5.534 361 HG2 ARG 33 HG3 ARG 33 2.178 18.644 -4.546 362 HG3 ARG 33 HG2 ARG 33 2.012 17.024 -5.229 363 HD2 ARG 33 HD3 ARG 33 3.636 18.359 -6.477 364 HD3 ARG 33 HD2 ARG 33 2.246 17.927 -7.471 365 HE ARG 33 HE ARG 33 2.519 20.578 -6.198 366 HH11 ARG 33 HH11 ARG 33 1.751 18.586 -8.979 367 HH12 ARG 33 HH12 ARG 33 1.377 19.933 -9.999 368 HH21 ARG 33 HH21 ARG 33 2.002 22.353 -7.544 369 HH22 ARG 33 HH22 ARG 33 1.500 22.066 -9.181 370 H GLN 34 H GLN 34 -2.363 18.656 -3.079 371 HA GLN 34 HA GLN 34 -0.562 19.353 -0.848 372 HB2 GLN 34 HB3 GLN 34 -3.193 20.560 -1.726 373 HB3 GLN 34 HB2 GLN 34 -2.435 20.925 -0.183 374 HG2 GLN 34 HG3 GLN 34 -1.235 21.454 -2.891 375 HG3 GLN 34 HG2 GLN 34 -2.021 22.644 -1.862 376 HE21 GLN 34 HE21 GLN 34 0.769 20.575 -2.218 377 HE22 GLN 34 HE22 GLN 34 1.769 21.415 -1.082 378 H VAL 35 H VAL 35 -3.279 17.489 -1.876 379 HA VAL 35 HA VAL 35 -4.254 16.985 0.812 380 HB VAL 35 HB VAL 35 -5.123 15.915 -1.880 381 HG11 VAL 35 HG11 VAL 35 -7.103 15.074 -0.771 382 HG12 VAL 35 HG12 VAL 35 -6.501 15.644 0.788 383 HG13 VAL 35 HG13 VAL 35 -5.656 14.352 -0.066 384 HG21 VAL 35 HG21 VAL 35 -7.041 17.409 -1.600 385 HG22 VAL 35 HG22 VAL 35 -5.518 18.297 -1.635 386 HG23 VAL 35 HG23 VAL 35 -6.342 18.020 -0.101 387 H ILE 36 H ILE 36 -3.260 14.943 -1.911 388 HA ILE 36 HA ILE 36 -3.073 12.492 -0.776 389 HB ILE 36 HB ILE 36 -1.121 13.551 -2.795 390 HG12 ILE 36 HG13 ILE 36 -3.884 12.378 -3.205 391 HG13 ILE 36 HG12 ILE 36 -3.500 14.089 -3.343 392 HG21 ILE 36 HG21 ILE 36 -2.280 10.814 -2.345 393 HG22 ILE 36 HG22 ILE 36 -0.681 11.329 -1.815 394 HG23 ILE 36 HG23 ILE 36 -1.060 11.267 -3.536 395 HD11 ILE 36 HD11 ILE 36 -3.654 13.022 -5.517 396 HD12 ILE 36 HD12 ILE 36 -2.374 11.893 -5.060 397 HD13 ILE 36 HD13 ILE 36 -2.021 13.616 -5.210 398 H LYS 37 H LYS 37 -0.547 14.987 -0.631 399 HA LYS 37 HA LYS 37 1.091 13.151 0.946 400 HB2 LYS 37 HB3 LYS 37 2.776 15.135 0.716 401 HB3 LYS 37 HB2 LYS 37 2.496 14.045 -0.632 402 HG2 LYS 37 HG3 LYS 37 2.539 16.229 -1.517 403 HG3 LYS 37 HG2 LYS 37 0.856 15.713 -1.523 404 HD2 LYS 37 HD3 LYS 37 0.902 17.968 -0.786 405 HD3 LYS 37 HD2 LYS 37 0.563 16.972 0.629 406 HE2 LYS 37 HE3 LYS 37 2.225 18.830 0.972 407 HE3 LYS 37 HE2 LYS 37 2.764 17.224 1.443 408 HZ1 LYS 37 HZ1 LYS 37 3.409 18.422 -1.192 409 HZ2 LYS 37 HZ2 LYS 37 4.109 17.062 -0.472 410 HZ3 LYS 37 HZ3 LYS 37 4.406 18.597 0.163 411 H LEU 38 H LEU 38 -1.363 14.608 1.916 412 HA LEU 38 HA LEU 38 -0.107 15.810 4.276 413 HB2 LEU 38 HB3 LEU 38 -1.158 17.565 3.121 414 HB3 LEU 38 HB2 LEU 38 -2.520 16.575 2.668 415 HG LEU 38 HG LEU 38 -2.896 18.428 4.362 416 HD11 LEU 38 HD11 LEU 38 -4.504 17.040 5.627 417 HD12 LEU 38 HD12 LEU 38 -3.741 15.603 4.935 418 HD13 LEU 38 HD13 LEU 38 -4.547 16.761 3.882 419 HD21 LEU 38 HD21 LEU 38 -2.456 17.883 6.698 420 HD22 LEU 38 HD22 LEU 38 -0.956 18.012 5.779 421 HD23 LEU 38 HD23 LEU 38 -1.597 16.424 6.202 422 H ALA 39 H ALA 39 -2.894 14.033 2.987 423 HA ALA 39 HA ALA 39 -4.100 13.169 5.287 424 HB1 ALA 39 HB1 ALA 39 -4.945 11.302 3.977 425 HB2 ALA 39 HB2 ALA 39 -3.715 11.589 2.747 426 HB3 ALA 39 HB3 ALA 39 -4.974 12.790 3.030 427 H GLY 40 H GLY 40 -3.546 11.910 6.919 428 HA2 GLY 40 HA3 GLY 40 -1.081 10.437 6.964 429 HA3 GLY 40 HA2 GLY 40 -2.313 10.453 8.221 430 H VAL 41 H VAL 41 -0.878 8.151 7.154 431 HA VAL 41 HA VAL 41 -3.125 6.706 5.930 432 HB VAL 41 HB VAL 41 -0.242 6.136 5.279 433 HG11 VAL 41 HG11 VAL 41 -2.834 5.307 3.996 434 HG12 VAL 41 HG12 VAL 41 -1.744 4.287 4.934 435 HG13 VAL 41 HG13 VAL 41 -1.227 4.930 3.374 436 HG21 VAL 41 HG21 VAL 41 -0.734 8.390 4.512 437 HG22 VAL 41 HG22 VAL 41 -2.185 7.811 3.696 438 HG23 VAL 41 HG23 VAL 41 -0.596 7.286 3.144 439 H THR 42 H THR 42 -3.704 4.927 6.941 440 HA THR 42 HA THR 42 -1.809 3.635 8.786 441 HB THR 42 HB THR 42 -4.826 3.408 8.685 442 HG1 THR 42 HG1 THR 42 -3.120 5.211 9.871 443 HG21 THR 42 HG21 THR 42 -2.834 2.425 10.732 444 HG22 THR 42 HG22 THR 42 -3.756 1.418 9.617 445 HG23 THR 42 HG23 THR 42 -4.589 2.329 10.878 446 H LYS 43 H LYS 43 -0.820 1.955 7.813 447 HA LYS 43 HA LYS 43 -2.124 0.488 5.671 448 HB2 LYS 43 HB3 LYS 43 0.610 0.367 6.932 449 HB3 LYS 43 HB2 LYS 43 0.077 -0.835 5.770 450 HG2 LYS 43 HG3 LYS 43 0.019 2.092 5.133 451 HG3 LYS 43 HG2 LYS 43 1.477 1.121 4.920 452 HD2 LYS 43 HD3 LYS 43 0.221 -0.402 3.454 453 HD3 LYS 43 HD2 LYS 43 -1.208 0.613 3.641 454 HE2 LYS 43 HE3 LYS 43 1.410 1.619 2.548 455 HE3 LYS 43 HE2 LYS 43 0.123 0.975 1.534 456 HZ1 LYS 43 HZ1 LYS 43 -0.144 3.306 3.350 457 HZ2 LYS 43 HZ2 LYS 43 -1.340 2.699 2.317 458 HZ3 LYS 43 HZ3 LYS 43 0.068 3.398 1.669 459 H LYS 44 H LYS 44 -3.035 -1.502 5.850 460 HA LYS 44 HA LYS 44 -2.664 -2.959 8.378 461 HB2 LYS 44 HB3 LYS 44 -5.251 -2.590 6.867 462 HB3 LYS 44 HB2 LYS 44 -5.036 -3.672 8.231 463 HG2 LYS 44 HG3 LYS 44 -4.563 -1.776 9.677 464 HG3 LYS 44 HG2 LYS 44 -4.746 -0.676 8.307 465 HD2 LYS 44 HD3 LYS 44 -7.067 -1.436 8.037 466 HD3 LYS 44 HD2 LYS 44 -6.872 -2.496 9.432 467 HE2 LYS 44 HE3 LYS 44 -6.487 -0.575 10.864 468 HE3 LYS 44 HE2 LYS 44 -6.598 0.504 9.474 469 HZ1 LYS 44 HZ1 LYS 44 -8.776 -1.212 10.535 470 HZ2 LYS 44 HZ2 LYS 44 -8.890 -0.245 9.146 471 HZ3 LYS 44 HZ3 LYS 44 -8.673 0.470 10.669 472 H PHE 45 H PHE 45 -1.721 -4.819 7.933 473 HA PHE 45 HA PHE 45 -2.671 -6.335 5.589 474 HB2 PHE 45 HB3 PHE 45 0.092 -6.273 6.809 475 HB3 PHE 45 HB2 PHE 45 -0.430 -7.471 5.634 476 HD1 PHE 45 HD1 PHE 45 0.273 -3.894 6.151 477 HD2 PHE 45 HD2 PHE 45 -0.513 -6.982 3.330 478 HE1 PHE 45 HE1 PHE 45 0.958 -2.396 4.328 479 HE2 PHE 45 HE2 PHE 45 0.167 -5.486 1.500 480 HZ PHE 45 HZ PHE 45 0.904 -3.192 2.001 481 H ARG 46 H ARG 46 -3.590 -8.242 6.061 482 HA ARG 46 HA ARG 46 -2.941 -9.666 8.494 483 HB2 ARG 46 HB3 ARG 46 -5.318 -9.592 9.294 484 HB3 ARG 46 HB2 ARG 46 -4.468 -8.058 9.414 485 HG2 ARG 46 HG3 ARG 46 -5.526 -7.399 7.248 486 HG3 ARG 46 HG2 ARG 46 -6.496 -8.867 7.356 487 HD2 ARG 46 HD3 ARG 46 -6.435 -6.721 9.465 488 HD3 ARG 46 HD2 ARG 46 -7.632 -6.804 8.175 489 HE ARG 46 HE ARG 46 -7.295 -8.985 10.133 490 HH11 ARG 46 HH11 ARG 46 -9.309 -6.725 8.376 491 HH12 ARG 46 HH12 ARG 46 -10.789 -7.333 9.040 492 HH21 ARG 46 HH21 ARG 46 -9.239 -9.792 11.008 493 HH22 ARG 46 HH22 ARG 46 -10.752 -9.081 10.539 494 H ASN 47 H ASN 47 -4.158 -11.653 8.677 495 HA ASN 47 HA ASN 47 -4.518 -13.104 6.279 496 HB2 ASN 47 HB3 ASN 47 -5.613 -13.638 9.050 497 HB3 ASN 47 HB2 ASN 47 -5.619 -14.806 7.730 498 HD21 ASN 47 HD21 ASN 47 -3.658 -15.712 7.056 499 HD22 ASN 47 HD22 ASN 47 -2.244 -15.659 8.054 500 H ALA 48 H ALA 48 -6.601 -13.937 5.357 501 HA ALA 48 HA ALA 48 -8.379 -11.848 4.849 502 HB1 ALA 48 HB1 ALA 48 -8.901 -14.799 4.528 503 HB2 ALA 48 HB2 ALA 48 -8.021 -13.797 3.373 504 HB3 ALA 48 HB3 ALA 48 -9.726 -13.480 3.696 505 H ALA 49 H ALA 49 -10.424 -11.404 5.514 506 HA ALA 49 HA ALA 49 -10.753 -11.618 8.305 507 HB1 ALA 49 HB1 ALA 49 -11.438 -9.673 6.942 508 HB2 ALA 49 HB2 ALA 49 -12.709 -10.268 8.012 509 HB3 ALA 49 HB3 ALA 49 -12.759 -10.643 6.290 510 H SER 50 H SER 50 -12.380 -13.223 5.572 511 HA SER 50 HA SER 50 -14.235 -14.593 7.224 512 HB2 SER 50 HB3 SER 50 -14.594 -15.975 5.160 513 HB3 SER 50 HB2 SER 50 -14.755 -14.239 4.912 514 HG SER 50 HG SER 50 -12.650 -14.215 4.032 515 H GLY 51 H GLY 51 -11.086 -14.877 7.487 516 HA2 GLY 51 HA3 GLY 51 -9.665 -16.499 8.249 517 HA3 GLY 51 HA2 GLY 51 -11.098 -17.431 8.645 518 H LYS 52 H LYS 52 -10.345 -16.388 5.402 519 HA LYS 52 HA LYS 52 -10.418 -19.141 4.521 520 HB2 LYS 52 HB3 LYS 52 -11.355 -16.843 3.433 521 HB3 LYS 52 HB2 LYS 52 -9.823 -16.980 2.586 522 HG2 LYS 52 HG3 LYS 52 -11.908 -19.143 2.695 523 HG3 LYS 52 HG2 LYS 52 -11.736 -17.984 1.380 524 HD2 LYS 52 HD3 LYS 52 -9.548 -18.833 0.850 525 HD3 LYS 52 HD2 LYS 52 -9.566 -19.881 2.269 526 HE2 LYS 52 HE3 LYS 52 -11.426 -21.142 1.332 527 HE3 LYS 52 HE2 LYS 52 -11.469 -20.068 -0.063 528 HZ1 LYS 52 HZ1 LYS 52 -9.194 -21.822 0.683 529 HZ2 LYS 52 HZ2 LYS 52 -9.266 -20.817 -0.673 530 HZ3 LYS 52 HZ3 LYS 52 -10.312 -22.138 -0.544 531 HA PRO 53 HA PRO 53 -5.952 -19.550 4.955 532 HB2 PRO 53 HB3 PRO 53 -6.637 -21.848 3.171 533 HB3 PRO 53 HB2 PRO 53 -5.604 -21.807 4.608 534 HG2 PRO 53 HG3 PRO 53 -8.030 -22.807 4.798 535 HG3 PRO 53 HG2 PRO 53 -7.420 -21.723 6.063 536 HD2 PRO 53 HD3 PRO 53 -9.349 -21.145 3.850 537 HD3 PRO 53 HD2 PRO 53 -9.375 -20.598 5.539 538 H ASP 54 H ASP 54 -4.323 -18.865 3.788 539 HA ASP 54 HA ASP 54 -2.917 -18.455 2.050 540 HB2 ASP 54 HB3 ASP 54 -5.158 -19.454 0.289 541 HB3 ASP 54 HB2 ASP 54 -3.624 -18.850 -0.327 542 H ARG 55 H ARG 55 -6.262 -17.526 1.330 543 HA ARG 55 HA ARG 55 -5.637 -14.997 0.299 544 HB2 ARG 55 HB3 ARG 55 -8.183 -15.682 1.764 545 HB3 ARG 55 HB2 ARG 55 -7.959 -14.471 0.509 546 HG2 ARG 55 HG3 ARG 55 -7.390 -16.352 -1.056 547 HG3 ARG 55 HG2 ARG 55 -7.913 -17.460 0.211 548 HD2 ARG 55 HD3 ARG 55 -9.799 -17.216 -1.138 549 HD3 ARG 55 HD2 ARG 55 -10.098 -16.121 0.211 550 HE ARG 55 HE ARG 55 -8.823 -14.772 -1.937 551 HH11 ARG 55 HH11 ARG 55 -11.919 -16.017 -0.886 552 HH12 ARG 55 HH12 ARG 55 -12.835 -14.946 -1.893 553 HH21 ARG 55 HH21 ARG 55 -10.024 -13.374 -3.302 554 HH22 ARG 55 HH22 ARG 55 -11.762 -13.442 -3.261 555 H TYR 56 H TYR 56 -5.594 -12.960 1.156 556 HA TYR 56 HA TYR 56 -5.525 -12.734 4.089 557 HB2 TYR 56 HB3 TYR 56 -3.683 -11.530 2.021 558 HB3 TYR 56 HB2 TYR 56 -3.811 -10.882 3.653 559 HD1 TYR 56 HD1 TYR 56 -2.646 -13.679 1.607 560 HD2 TYR 56 HD2 TYR 56 -2.905 -12.117 5.555 561 HE1 TYR 56 HE1 TYR 56 -0.987 -15.326 2.362 562 HE2 TYR 56 HE2 TYR 56 -1.246 -13.760 6.319 563 HH TYR 56 HH TYR 56 0.668 -15.554 4.219 564 H ASP 57 H ASP 57 -5.493 -10.189 4.554 565 HA ASP 57 HA ASP 57 -7.442 -8.819 2.836 566 HB2 ASP 57 HB3 ASP 57 -8.637 -9.896 4.767 567 HB3 ASP 57 HB2 ASP 57 -7.644 -8.946 5.860 568 H MET 58 H MET 58 -7.047 -6.607 2.678 569 HA MET 58 HA MET 58 -4.894 -5.501 4.323 570 HB2 MET 58 HB3 MET 58 -3.865 -6.532 2.289 571 HB3 MET 58 HB2 MET 58 -4.820 -5.439 1.297 572 HG2 MET 58 HG3 MET 58 -2.939 -4.415 3.390 573 HG3 MET 58 HG2 MET 58 -2.384 -4.838 1.773 574 HE1 MET 58 HE1 MET 58 -2.572 -0.850 2.084 575 HE2 MET 58 HE2 MET 58 -1.462 -2.214 1.891 576 HE3 MET 58 HE3 MET 58 -2.315 -1.972 3.419 577 H GLU 59 H GLU 59 -5.004 -3.260 4.582 578 HA GLU 59 HA GLU 59 -7.195 -1.895 3.220 579 HB2 GLU 59 HB3 GLU 59 -8.143 -2.977 5.217 580 HB3 GLU 59 HB2 GLU 59 -6.959 -2.169 6.219 581 HG2 GLU 59 HG3 GLU 59 -7.943 -0.008 5.631 582 HG3 GLU 59 HG2 GLU 59 -9.143 -0.839 4.638 583 H ASN 60 H ASN 60 -7.069 0.325 3.176 584 HA ASN 60 HA ASN 60 -4.726 1.583 4.452 585 HB2 ASN 60 HB3 ASN 60 -5.794 2.198 1.681 586 HB3 ASN 60 HB2 ASN 60 -4.557 3.128 2.510 587 HD21 ASN 60 HD21 ASN 60 -5.288 0.292 0.727 588 HD22 ASN 60 HD22 ASN 60 -3.665 -0.276 0.550 589 H LEU 61 H LEU 61 -5.657 2.734 6.032 590 HA LEU 61 HA LEU 61 -8.054 4.295 5.375 591 HB2 LEU 61 HB3 LEU 61 -8.251 2.865 7.341 592 HB3 LEU 61 HB2 LEU 61 -6.830 3.609 8.049 593 HG LEU 61 HG LEU 61 -8.030 5.757 8.165 594 HD11 LEU 61 HD11 LEU 61 -10.473 5.773 7.838 595 HD12 LEU 61 HD12 LEU 61 -10.379 4.137 7.186 596 HD13 LEU 61 HD13 LEU 61 -9.593 5.471 6.342 597 HD21 LEU 61 HD21 LEU 61 -7.995 4.286 10.094 598 HD22 LEU 61 HD22 LEU 61 -9.421 3.441 9.497 599 HD23 LEU 61 HD23 LEU 61 -9.541 5.129 9.989 600 H THR 62 H THR 62 -7.915 6.453 5.152 601 HA THR 62 HA THR 62 -5.506 7.787 6.130 602 HB THR 62 HB THR 62 -5.430 9.183 4.113 603 HG1 THR 62 HG1 THR 62 -6.746 8.377 2.280 604 HG21 THR 62 HG21 THR 62 -5.434 6.242 3.437 605 HG22 THR 62 HG22 THR 62 -4.094 7.124 4.168 606 HG23 THR 62 HG23 THR 62 -4.619 7.517 2.531 607 H THR 63 H THR 63 -5.997 10.332 5.727 608 HA THR 63 HA THR 63 -8.279 10.859 7.389 609 HB THR 63 HB THR 63 -7.469 13.122 7.454 610 HG1 THR 63 HG1 THR 63 -6.731 13.857 5.596 611 HG21 THR 63 HG21 THR 63 -5.010 12.711 7.925 612 HG22 THR 63 HG22 THR 63 -5.288 11.049 7.389 613 HG23 THR 63 HG23 THR 63 -6.148 11.679 8.796 614 H LYS 64 H LYS 64 -7.463 11.045 4.027 615 HA LYS 64 HA LYS 64 -9.826 12.658 3.430 616 HB2 LYS 64 HB3 LYS 64 -7.722 13.498 2.565 617 HB3 LYS 64 HB2 LYS 64 -7.389 11.957 1.791 618 HG2 LYS 64 HG3 LYS 64 -8.128 13.669 0.211 619 HG3 LYS 64 HG2 LYS 64 -9.217 12.282 0.256 620 HD2 LYS 64 HD3 LYS 64 -10.700 13.557 1.786 621 HD3 LYS 64 HD2 LYS 64 -9.638 14.955 1.600 622 HE2 LYS 64 HE3 LYS 64 -10.105 15.035 -0.769 623 HE3 LYS 64 HE2 LYS 64 -11.071 13.565 -0.659 624 HZ1 LYS 64 HZ1 LYS 64 -12.456 15.538 -0.711 625 HZ2 LYS 64 HZ2 LYS 64 -11.699 16.143 0.673 626 HZ3 LYS 64 HZ3 LYS 64 -12.629 14.732 0.764 627 H LYS 65 H LYS 65 -8.596 9.448 3.191 628 HA LYS 65 HA LYS 65 -10.900 8.675 1.592 629 HB2 LYS 65 HB3 LYS 65 -8.094 8.519 0.735 630 HB3 LYS 65 HB2 LYS 65 -9.037 7.076 0.441 631 HG2 LYS 65 HG3 LYS 65 -9.578 9.846 -0.564 632 HG3 LYS 65 HG2 LYS 65 -9.141 8.425 -1.510 633 HD2 LYS 65 HD3 LYS 65 -11.721 8.826 0.022 634 HD3 LYS 65 HD2 LYS 65 -11.526 8.915 -1.723 635 HE2 LYS 65 HE3 LYS 65 -11.178 6.618 -1.930 636 HE3 LYS 65 HE2 LYS 65 -10.775 6.428 -0.225 637 HZ1 LYS 65 HZ1 LYS 65 -13.066 5.649 -1.036 638 HZ2 LYS 65 HZ2 LYS 65 -13.478 7.294 -1.032 639 HZ3 LYS 65 HZ3 LYS 65 -12.985 6.544 0.405 640 H ASP 66 H ASP 66 -9.638 6.026 1.247 641 HA ASP 66 HA ASP 66 -9.552 4.522 3.474 642 HB2 ASP 66 HB3 ASP 66 -11.808 3.972 4.119 643 HB3 ASP 66 HB2 ASP 66 -11.651 5.719 4.187 644 H THR 67 H THR 67 -9.249 2.499 2.778 645 HA THR 67 HA THR 67 -10.725 1.475 0.486 646 HB THR 67 HB THR 67 -8.657 0.606 -0.586 647 HG1 THR 67 HG1 THR 67 -7.523 1.834 1.617 648 HG21 THR 67 HG21 THR 67 -9.632 2.597 -1.517 649 HG22 THR 67 HG22 THR 67 -7.876 2.765 -1.540 650 HG23 THR 67 HG23 THR 67 -8.829 3.600 -0.312 651 H HIS 68 H HIS 68 -10.878 -0.795 0.522 652 HA HIS 68 HA HIS 68 -9.471 -2.193 2.647 653 HB2 HIS 68 HB3 HIS 68 -11.537 -1.368 3.720 654 HB3 HIS 68 HB2 HIS 68 -12.494 -2.155 2.474 655 HD1 HIS 68 HD1 HIS 68 -13.163 -2.967 5.235 656 HD2 HIS 68 HD2 HIS 68 -10.136 -4.836 3.089 657 HE1 HIS 68 HE1 HIS 68 -12.924 -5.254 6.247 658 HE2 HIS 68 HE2 HIS 68 -10.962 -6.304 5.044 659 H HIS 69 H HIS 69 -8.456 -3.523 1.297 660 HA HIS 69 HA HIS 69 -9.798 -4.891 -0.860 661 HB2 HIS 69 HB3 HIS 69 -7.108 -5.569 0.340 662 HB3 HIS 69 HB2 HIS 69 -7.692 -5.955 -1.273 663 HD1 HIS 69 HD1 HIS 69 -8.637 -3.161 -2.184 664 HD2 HIS 69 HD2 HIS 69 -5.075 -3.887 -0.165 665 HE1 HIS 69 HE1 HIS 69 -7.099 -1.287 -2.824 666 HE2 HIS 69 HE2 HIS 69 -4.867 -1.910 -1.807 667 H LYS 70 H LYS 70 -11.486 -5.905 0.276 668 HA LYS 70 HA LYS 70 -10.983 -7.542 2.554 669 HB2 LYS 70 HB3 LYS 70 -13.424 -8.171 2.183 670 HB3 LYS 70 HB2 LYS 70 -13.069 -6.480 2.507 671 HG2 LYS 70 HG3 LYS 70 -13.109 -6.118 0.020 672 HG3 LYS 70 HG2 LYS 70 -13.758 -7.753 -0.127 673 HD2 LYS 70 HD3 LYS 70 -15.643 -6.356 -0.105 674 HD3 LYS 70 HD2 LYS 70 -15.532 -7.001 1.530 675 HE2 LYS 70 HE3 LYS 70 -16.010 -4.667 1.697 676 HE3 LYS 70 HE2 LYS 70 -14.342 -4.924 2.210 677 HZ1 LYS 70 HZ1 LYS 70 -15.241 -3.904 -0.437 678 HZ2 LYS 70 HZ2 LYS 70 -13.633 -4.237 -0.034 679 HZ3 LYS 70 HZ3 LYS 70 -14.472 -3.013 0.778 680 H ASP 71 H ASP 71 -10.099 -9.445 2.507 681 HA ASP 71 HA ASP 71 -9.553 -11.579 1.985 682 HB2 ASP 71 HB3 ASP 71 -12.328 -11.622 0.782 683 HB3 ASP 71 HB2 ASP 71 -11.368 -13.037 1.194 684 H TRP 72 H TRP 72 -7.918 -10.870 0.532 685 HA TRP 72 HA TRP 72 -8.513 -11.525 -2.286 686 HB2 TRP 72 HB3 TRP 72 -6.535 -10.100 -2.850 687 HB3 TRP 72 HB2 TRP 72 -7.865 -9.203 -2.127 688 HD1 TRP 72 HD1 TRP 72 -7.471 -8.135 0.269 689 HE1 TRP 72 HE1 TRP 72 -5.348 -7.675 1.642 690 HE3 TRP 72 HE3 TRP 72 -4.152 -11.044 -2.324 691 HZ2 TRP 72 HZ2 TRP 72 -2.630 -8.449 1.610 692 HZ3 TRP 72 HZ3 TRP 72 -1.819 -11.085 -1.543 693 HH2 TRP 72 HH2 TRP 72 -1.083 -9.829 0.363 694 H ALA 73 H ALA 73 -7.076 -12.919 -3.372 695 HA ALA 73 HA ALA 73 -5.377 -14.489 -1.583 696 HB1 ALA 73 HB1 ALA 73 -7.001 -15.679 -2.968 697 HB2 ALA 73 HB2 ALA 73 -5.352 -16.129 -3.399 698 HB3 ALA 73 HB3 ALA 73 -6.258 -15.015 -4.421 699 H LEU 74 H LEU 74 -3.166 -14.617 -1.799 700 HA LEU 74 HA LEU 74 -1.564 -12.859 -3.100 701 HB2 LEU 74 HB3 LEU 74 -1.177 -15.063 -1.579 702 HB3 LEU 74 HB2 LEU 74 -0.633 -15.664 -3.128 703 HG LEU 74 HG LEU 74 1.270 -14.907 -1.930 704 HD11 LEU 74 HD11 LEU 74 0.544 -12.842 -3.993 705 HD12 LEU 74 HD12 LEU 74 1.295 -14.405 -4.304 706 HD13 LEU 74 HD13 LEU 74 2.167 -13.175 -3.392 707 HD21 LEU 74 HD21 LEU 74 1.512 -12.709 -0.999 708 HD22 LEU 74 HD22 LEU 74 0.055 -13.458 -0.349 709 HD23 LEU 74 HD23 LEU 74 -0.070 -12.232 -1.612 710 H GLY 75 H GLY 75 -1.496 -12.297 -5.181 711 HA2 GLY 75 HA3 GLY 75 -0.982 -12.655 -7.442 712 HA3 GLY 75 HA2 GLY 75 -1.315 -14.368 -7.230 713 H GLU 76 H GLU 76 -3.593 -12.053 -6.036 714 HA GLU 76 HA GLU 76 -5.449 -12.924 -8.143 715 HB2 GLU 76 HB3 GLU 76 -6.074 -13.746 -5.956 716 HB3 GLU 76 HB2 GLU 76 -5.989 -12.128 -5.282 717 HG2 GLU 76 HG3 GLU 76 -7.913 -11.441 -6.509 718 HG3 GLU 76 HG2 GLU 76 -7.932 -12.947 -7.425 719 H GLU 77 H GLU 77 -6.082 -11.472 -9.518 720 HA GLU 77 HA GLU 77 -5.948 -8.619 -8.930 721 HB2 GLU 77 HB3 GLU 77 -5.231 -9.393 -11.139 722 HB3 GLU 77 HB2 GLU 77 -6.797 -10.144 -11.410 723 HG2 GLU 77 HG3 GLU 77 -7.841 -7.911 -11.326 724 HG3 GLU 77 HG2 GLU 77 -6.236 -7.200 -11.159 725 H PHE 78 H PHE 78 -7.591 -7.671 -7.937 726 HA PHE 78 HA PHE 78 -10.314 -8.711 -8.364 727 HB2 PHE 78 HB3 PHE 78 -10.754 -8.220 -5.947 728 HB3 PHE 78 HB2 PHE 78 -9.603 -9.523 -6.207 729 HD1 PHE 78 HD1 PHE 78 -7.259 -9.242 -5.648 730 HD2 PHE 78 HD2 PHE 78 -10.073 -6.117 -4.989 731 HE1 PHE 78 HE1 PHE 78 -5.641 -8.095 -4.196 732 HE2 PHE 78 HE2 PHE 78 -8.456 -4.962 -3.537 733 HZ PHE 78 HZ PHE 78 -6.237 -5.957 -3.138 734 H GLN 79 H GLN 79 -11.984 -7.172 -8.241 735 HA GLN 79 HA GLN 79 -11.138 -4.452 -8.768 736 HB2 GLN 79 HB3 GLN 79 -12.928 -5.501 -10.129 737 HB3 GLN 79 HB2 GLN 79 -13.932 -5.610 -8.691 738 HG2 GLN 79 HG3 GLN 79 -13.929 -3.180 -8.498 739 HG3 GLN 79 HG2 GLN 79 -12.908 -3.065 -9.929 740 HE21 GLN 79 HE21 GLN 79 -14.309 -5.252 -11.279 741 HE22 GLN 79 HE22 GLN 79 -15.819 -4.593 -11.800 742 H ASP 80 H ASP 80 -11.695 -2.683 -7.513 743 HA ASP 80 HA ASP 80 -13.015 -2.922 -4.992 744 HB2 ASP 80 HB3 ASP 80 -10.776 -4.087 -4.596 745 HB3 ASP 80 HB2 ASP 80 -10.015 -2.526 -4.876 746 H GLU 81 H GLU 81 -12.581 -0.826 -3.682 747 HA GLU 81 HA GLU 81 -12.334 1.387 -5.592 748 HB2 GLU 81 HB3 GLU 81 -14.409 1.430 -4.269 749 HB3 GLU 81 HB2 GLU 81 -13.467 1.392 -2.781 750 HG2 GLU 81 HG3 GLU 81 -12.422 3.538 -3.448 751 HG3 GLU 81 HG2 GLU 81 -13.499 3.586 -4.843 752 H ALA 82 H ALA 82 -10.427 2.143 -5.721 753 HA ALA 82 HA ALA 82 -8.567 1.779 -3.523 754 HB1 ALA 82 HB1 ALA 82 -7.965 2.987 -6.190 755 HB2 ALA 82 HB2 ALA 82 -8.075 1.251 -5.928 756 HB3 ALA 82 HB3 ALA 82 -6.855 2.195 -5.067 757 H LEU 83 H LEU 83 -6.850 3.742 -3.505 758 HA LEU 83 HA LEU 83 -8.068 5.747 -2.031 759 HB2 LEU 83 HB3 LEU 83 -5.404 5.797 -3.454 760 HB3 LEU 83 HB2 LEU 83 -5.925 7.010 -2.307 761 HG LEU 83 HG LEU 83 -4.464 5.603 -1.123 762 HD11 LEU 83 HD11 LEU 83 -6.490 6.163 0.111 763 HD12 LEU 83 HD12 LEU 83 -5.841 4.598 0.601 764 HD13 LEU 83 HD13 LEU 83 -7.247 4.675 -0.457 765 HD21 LEU 83 HD21 LEU 83 -5.992 3.215 -2.140 766 HD22 LEU 83 HD22 LEU 83 -4.613 3.184 -1.042 767 HD23 LEU 83 HD23 LEU 83 -4.406 3.741 -2.702 768 H ASP 84 H ASP 84 -7.502 5.491 -5.441 769 HA ASP 84 HA ASP 84 -8.010 8.267 -5.994 770 HB2 ASP 84 HB3 ASP 84 -7.945 7.592 -8.375 771 HB3 ASP 84 HB2 ASP 84 -6.524 7.083 -7.478 772 H SER 85 H SER 85 -9.985 6.100 -4.823 773 HA SER 85 HA SER 85 -12.183 6.238 -4.368 774 HB2 SER 85 HB3 SER 85 -12.151 8.769 -6.009 775 HB3 SER 85 HB2 SER 85 -13.354 8.307 -4.805 776 HG SER 85 HG SER 85 -10.636 8.441 -4.087 777 H THR 86 H THR 86 -11.175 5.198 -7.155 778 HA THR 86 HA THR 86 -13.890 5.007 -8.271 779 HB THR 86 HB THR 86 -12.663 4.191 -10.362 780 HG1 THR 86 HG1 THR 86 -10.454 5.684 -9.792 781 HG21 THR 86 HG21 THR 86 -12.322 7.057 -9.474 782 HG22 THR 86 HG22 THR 86 -13.755 6.369 -10.236 783 HG23 THR 86 HG23 THR 86 -12.245 6.485 -11.141 784 H GLN 87 H GLN 87 -14.247 2.862 -9.469 785 HA GLN 87 HA GLN 87 -13.434 0.715 -7.632 786 HB2 GLN 87 HB3 GLN 87 -15.604 0.367 -9.654 787 HB3 GLN 87 HB2 GLN 87 -15.449 -0.346 -8.061 788 HG2 GLN 87 HG3 GLN 87 -16.140 2.531 -8.539 789 HG3 GLN 87 HG2 GLN 87 -17.336 1.251 -8.352 790 HE21 GLN 87 HE21 GLN 87 -15.091 3.313 -6.763 791 HE22 GLN 87 HE22 GLN 87 -15.501 2.872 -5.141 792 H HIS 88 H HIS 88 -11.612 -0.175 -8.545 793 HA HIS 88 HA HIS 88 -11.786 -0.903 -11.361 794 HB2 HIS 88 HB3 HIS 88 -9.485 -0.061 -11.792 795 HB3 HIS 88 HB2 HIS 88 -10.698 1.191 -11.566 796 HD1 HIS 88 HD1 HIS 88 -7.853 -0.478 -9.711 797 HD2 HIS 88 HD2 HIS 88 -10.120 3.005 -9.639 798 HE1 HIS 88 HE1 HIS 88 -6.750 1.020 -8.015 799 HE2 HIS 88 HE2 HIS 88 -8.020 3.206 -8.151 800 H LYS 89 H LYS 89 -9.721 -2.169 -11.981 801 HA LYS 89 HA LYS 89 -9.654 -4.388 -10.179 802 HB2 LYS 89 HB3 LYS 89 -8.171 -3.849 -12.749 803 HB3 LYS 89 HB2 LYS 89 -8.077 -5.365 -11.862 804 HG2 LYS 89 HG3 LYS 89 -10.623 -5.447 -12.130 805 HG3 LYS 89 HG2 LYS 89 -10.400 -4.182 -13.341 806 HD2 LYS 89 HD3 LYS 89 -9.169 -6.936 -13.359 807 HD3 LYS 89 HD2 LYS 89 -10.449 -6.348 -14.419 808 HE2 LYS 89 HE3 LYS 89 -8.951 -4.810 -15.481 809 HE3 LYS 89 HE2 LYS 89 -7.685 -5.148 -14.303 810 HZ1 LYS 89 HZ1 LYS 89 -7.622 -7.444 -15.129 811 HZ2 LYS 89 HZ2 LYS 89 -7.235 -6.318 -16.335 812 HZ3 LYS 89 HZ3 LYS 89 -8.762 -7.046 -16.318 813 H ILE 90 H ILE 90 -7.884 -5.221 -9.127 814 HA ILE 90 HA ILE 90 -5.437 -3.657 -8.938 815 HB ILE 90 HB ILE 90 -7.284 -4.209 -6.617 816 HG12 ILE 90 HG13 ILE 90 -5.875 -1.679 -7.484 817 HG13 ILE 90 HG12 ILE 90 -7.533 -2.085 -7.913 818 HG21 ILE 90 HG21 ILE 90 -4.396 -3.361 -6.466 819 HG22 ILE 90 HG22 ILE 90 -5.019 -4.964 -6.056 820 HG23 ILE 90 HG23 ILE 90 -5.509 -3.556 -5.108 821 HD11 ILE 90 HD11 ILE 90 -7.384 -0.514 -6.057 822 HD12 ILE 90 HD12 ILE 90 -6.506 -1.716 -5.114 823 HD13 ILE 90 HD13 ILE 90 -8.177 -2.019 -5.595 824 H THR 91 H THR 91 -3.738 -4.997 -8.864 825 HA THR 91 HA THR 91 -4.266 -7.818 -8.253 826 HB THR 91 HB THR 91 -1.902 -6.659 -9.723 827 HG1 THR 91 HG1 THR 91 -4.441 -7.026 -10.528 828 HG21 THR 91 HG21 THR 91 -2.928 -9.490 -9.469 829 HG22 THR 91 HG22 THR 91 -1.475 -8.841 -8.709 830 HG23 THR 91 HG23 THR 91 -1.565 -8.979 -10.466 831 H PHE 92 H PHE 92 -3.412 -8.714 -6.540 832 HA PHE 92 HA PHE 92 -1.200 -7.351 -5.141 833 HB2 PHE 92 HB3 PHE 92 -3.649 -8.649 -4.169 834 HB3 PHE 92 HB2 PHE 92 -2.190 -9.191 -3.350 835 HD1 PHE 92 HD1 PHE 92 -4.242 -6.240 -4.155 836 HD2 PHE 92 HD2 PHE 92 -1.089 -7.816 -1.780 837 HE1 PHE 92 HE1 PHE 92 -4.300 -4.220 -2.751 838 HE2 PHE 92 HE2 PHE 92 -1.138 -5.800 -0.377 839 HZ PHE 92 HZ PHE 92 -2.744 -4.028 -0.819 840 H ASP 93 H ASP 93 0.703 -8.425 -5.138 841 HA ASP 93 HA ASP 93 0.850 -11.264 -5.160 842 HB2 ASP 93 HB3 ASP 93 1.692 -11.695 -7.332 843 HB3 ASP 93 HB2 ASP 93 0.256 -10.713 -7.576 844 H LEU 94 H LEU 94 3.137 -11.999 -5.345 845 HA LEU 94 HA LEU 94 4.877 -10.005 -4.071 846 HB2 LEU 94 HB3 LEU 94 4.549 -12.929 -3.843 847 HB3 LEU 94 HB2 LEU 94 6.204 -12.361 -3.798 848 HG LEU 94 HG LEU 94 5.084 -12.684 -1.558 849 HD11 LEU 94 HD11 LEU 94 7.089 -11.331 -1.798 850 HD12 LEU 94 HD12 LEU 94 6.002 -10.634 -0.597 851 HD13 LEU 94 HD13 LEU 94 6.107 -9.925 -2.208 852 HD21 LEU 94 HD21 LEU 94 2.890 -11.826 -2.085 853 HD22 LEU 94 HD22 LEU 94 3.566 -10.243 -2.451 854 HD23 LEU 94 HD23 LEU 94 3.612 -10.861 -0.798 855 H LYS 95 H LYS 95 6.257 -9.046 -5.388 856 HA LYS 95 HA LYS 95 6.762 -10.134 -8.017 857 HB2 LYS 95 HB3 LYS 95 6.439 -7.646 -7.418 858 HB3 LYS 95 HB2 LYS 95 8.087 -7.710 -6.807 859 HG2 LYS 95 HG3 LYS 95 8.135 -6.838 -9.029 860 HG3 LYS 95 HG2 LYS 95 8.833 -8.459 -9.054 861 HD2 LYS 95 HD3 LYS 95 6.699 -9.363 -9.852 862 HD3 LYS 95 HD2 LYS 95 6.005 -7.742 -9.822 863 HE2 LYS 95 HE3 LYS 95 7.668 -7.020 -11.481 864 HE3 LYS 95 HE2 LYS 95 8.316 -8.660 -11.524 865 HZ1 LYS 95 HZ1 LYS 95 6.158 -9.440 -12.310 866 HZ2 LYS 95 HZ2 LYS 95 6.809 -8.283 -13.357 867 HZ3 LYS 95 HZ3 LYS 95 5.563 -7.858 -12.300 868 H ASP 96 H ASP 96 8.485 -9.446 -5.064 869 HA ASP 96 HA ASP 96 10.466 -11.500 -5.749 870 HB2 ASP 96 HB3 ASP 96 11.082 -8.827 -4.457 871 HB3 ASP 96 HB2 ASP 96 12.214 -10.160 -4.569 872 HA PRO 97 HA PRO 97 9.494 -13.068 -1.753 873 HB2 PRO 97 HB3 PRO 97 12.345 -13.448 -1.111 874 HB3 PRO 97 HB2 PRO 97 11.077 -14.655 -1.347 875 HG2 PRO 97 HG3 PRO 97 13.014 -14.328 -3.157 876 HG3 PRO 97 HG2 PRO 97 11.347 -14.682 -3.652 877 HD2 PRO 97 HD3 PRO 97 12.774 -12.039 -3.579 878 HD3 PRO 97 HD2 PRO 97 11.768 -12.724 -4.870 879 H ASN 98 H ASN 98 11.003 -10.182 -2.063 880 HA ASN 98 HA ASN 98 10.626 -9.597 0.784 881 HB2 ASN 98 HB3 ASN 98 12.980 -8.739 -0.909 882 HB3 ASN 98 HB2 ASN 98 12.563 -7.973 0.618 883 HD21 ASN 98 HD21 ASN 98 12.812 -9.125 2.534 884 HD22 ASN 98 HD22 ASN 98 13.794 -10.545 2.625 885 H THR 99 H THR 99 9.262 -9.157 -1.982 886 HA THR 99 HA THR 99 8.590 -6.362 -1.482 887 HB THR 99 HB THR 99 9.414 -7.294 -4.237 888 HG1 THR 99 HG1 THR 99 11.293 -6.170 -3.904 889 HG21 THR 99 HG21 THR 99 8.704 -4.555 -3.177 890 HG22 THR 99 HG22 THR 99 7.698 -5.546 -4.233 891 HG23 THR 99 HG23 THR 99 9.241 -4.920 -4.817 892 H LEU 100 H LEU 100 6.483 -6.429 -1.211 893 HA LEU 100 HA LEU 100 4.763 -8.192 -2.796 894 HB2 LEU 100 HB3 LEU 100 4.626 -7.679 -0.237 895 HB3 LEU 100 HB2 LEU 100 3.912 -6.167 -0.733 896 HG LEU 100 HG LEU 100 2.771 -8.917 -1.227 897 HD11 LEU 100 HD11 LEU 100 1.044 -8.202 0.340 898 HD12 LEU 100 HD12 LEU 100 1.891 -6.673 0.580 899 HD13 LEU 100 HD13 LEU 100 2.640 -8.184 1.092 900 HD21 LEU 100 HD21 LEU 100 1.529 -6.242 -1.840 901 HD22 LEU 100 HD22 LEU 100 0.827 -7.832 -2.126 902 HD23 LEU 100 HD23 LEU 100 2.237 -7.314 -3.045 903 H THR 101 H THR 101 3.479 -7.355 -4.518 904 HA THR 101 HA THR 101 3.703 -4.448 -4.887 905 HB THR 101 HB THR 101 3.310 -5.050 -7.369 906 HG1 THR 101 HG1 THR 101 2.888 -7.317 -6.957 907 HG21 THR 101 HG21 THR 101 5.718 -5.330 -7.722 908 HG22 THR 101 HG22 THR 101 5.921 -5.718 -6.014 909 HG23 THR 101 HG23 THR 101 5.382 -4.112 -6.494 910 H GLU 102 H GLU 102 1.934 -3.301 -5.038 911 HA GLU 102 HA GLU 102 -0.643 -4.666 -5.491 912 HB2 GLU 102 HB3 GLU 102 -0.522 -3.555 -3.300 913 HB3 GLU 102 HB2 GLU 102 -0.072 -2.044 -4.079 914 HG2 GLU 102 HG3 GLU 102 -2.272 -2.166 -5.303 915 HG3 GLU 102 HG2 GLU 102 -2.703 -3.481 -4.215 916 H THR 103 H THR 103 -1.088 -4.473 -7.626 917 HA THR 103 HA THR 103 -0.345 -1.975 -8.976 918 HB THR 103 HB THR 103 -1.226 -4.585 -10.226 919 HG1 THR 103 HG1 THR 103 0.744 -5.225 -9.830 920 HG21 THR 103 HG21 THR 103 0.113 -2.139 -11.398 921 HG22 THR 103 HG22 THR 103 -1.557 -2.637 -11.665 922 HG23 THR 103 HG23 THR 103 -0.234 -3.633 -12.269 923 H HIS 104 H HIS 104 -1.891 -0.497 -9.145 924 HA HIS 104 HA HIS 104 -4.699 -1.299 -9.077 925 HB2 HIS 104 HB3 HIS 104 -3.412 1.439 -9.144 926 HB3 HIS 104 HB2 HIS 104 -5.144 1.157 -9.101 927 HD1 HIS 104 HD1 HIS 104 -4.738 2.750 -6.915 928 HD2 HIS 104 HD2 HIS 104 -3.490 -1.204 -6.664 929 HE1 HIS 104 HE1 HIS 104 -4.589 2.245 -4.460 930 HE2 HIS 104 HE2 HIS 104 -3.475 -0.012 -4.363 931 H ILE 105 H ILE 105 -5.598 -1.893 -10.954 932 HA ILE 105 HA ILE 105 -4.841 -0.412 -13.377 933 HB ILE 105 HB ILE 105 -6.254 -3.067 -13.160 934 HG12 ILE 105 HG13 ILE 105 -3.425 -2.284 -13.851 935 HG13 ILE 105 HG12 ILE 105 -3.975 -3.405 -12.609 936 HG21 ILE 105 HG21 ILE 105 -7.039 -1.832 -15.092 937 HG22 ILE 105 HG22 ILE 105 -5.983 -3.143 -15.620 938 HG23 ILE 105 HG23 ILE 105 -5.377 -1.487 -15.581 939 HD11 ILE 105 HD11 ILE 105 -4.201 -3.822 -15.565 940 HD12 ILE 105 HD12 ILE 105 -4.696 -4.958 -14.311 941 HD13 ILE 105 HD13 ILE 105 -2.991 -4.552 -14.512 942 H LYS 106 H LYS 106 -6.106 1.291 -13.446 943 HA LYS 106 HA LYS 106 -8.770 1.499 -12.660 944 HB2 LYS 106 HB3 LYS 106 -7.276 3.002 -14.823 945 HB3 LYS 106 HB2 LYS 106 -8.841 3.479 -14.181 946 HG2 LYS 106 HG3 LYS 106 -7.920 3.957 -12.046 947 HG3 LYS 106 HG2 LYS 106 -6.386 3.191 -12.467 948 HD2 LYS 106 HD3 LYS 106 -5.977 4.914 -14.142 949 HD3 LYS 106 HD2 LYS 106 -7.524 5.667 -13.765 950 HE2 LYS 106 HE3 LYS 106 -5.378 5.280 -11.696 951 HE3 LYS 106 HE2 LYS 106 -5.432 6.702 -12.733 952 HZ1 LYS 106 HZ1 LYS 106 -7.491 5.836 -10.768 953 HZ2 LYS 106 HZ2 LYS 106 -7.719 7.089 -11.886 954 HZ3 LYS 106 HZ3 LYS 106 -6.519 7.223 -10.706 955 H VAL 107 H VAL 107 -10.456 0.511 -13.358 956 HA VAL 107 HA VAL 107 -10.620 -1.047 -15.669 957 HB VAL 107 HB VAL 107 -13.100 -1.045 -15.272 958 HG11 VAL 107 HG11 VAL 107 -12.897 -2.288 -13.119 959 HG12 VAL 107 HG12 VAL 107 -11.218 -1.757 -13.029 960 HG13 VAL 107 HG13 VAL 107 -11.742 -2.796 -14.351 961 HG21 VAL 107 HG21 VAL 107 -13.245 1.148 -14.298 962 HG22 VAL 107 HG22 VAL 107 -12.228 0.639 -12.958 963 HG23 VAL 107 HG23 VAL 107 -13.837 -0.053 -13.152 964 H ASP 108 H ASP 108 -11.131 2.283 -15.123 965 HA ASP 108 HA ASP 108 -12.654 2.775 -17.515 966 HB2 ASP 108 HB3 ASP 108 -12.913 4.218 -15.550 967 HB3 ASP 108 HB2 ASP 108 -11.217 4.675 -15.651 968 H ASP 109 H ASP 109 -9.323 3.259 -16.431 969 HA ASP 109 HA ASP 109 -8.452 3.230 -19.219 970 HB2 ASP 109 HB3 ASP 109 -8.656 5.628 -18.442 971 HB3 ASP 109 HB2 ASP 109 -7.431 5.276 -17.230 972 HA PRO 110 HA PRO 110 -6.084 0.334 -16.662 973 HB2 PRO 110 HB3 PRO 110 -5.682 -1.466 -18.633 974 HB3 PRO 110 HB2 PRO 110 -7.203 -1.347 -17.745 975 HG2 PRO 110 HG3 PRO 110 -6.501 -0.247 -20.434 976 HG3 PRO 110 HG2 PRO 110 -7.972 -1.080 -19.913 977 HD2 PRO 110 HD3 PRO 110 -7.826 1.597 -20.133 978 HD3 PRO 110 HD2 PRO 110 -8.856 0.786 -18.944 979 H THR 111 H THR 111 -5.155 2.410 -19.117 980 HA THR 111 HA THR 111 -2.441 1.347 -19.262 981 HB THR 111 HB THR 111 -2.037 3.232 -20.866 982 HG1 THR 111 HG1 THR 111 -4.357 4.119 -19.920 983 HG21 THR 111 HG21 THR 111 -3.392 2.211 -22.671 984 HG22 THR 111 HG22 THR 111 -4.282 1.314 -21.438 985 HG23 THR 111 HG23 THR 111 -2.559 1.023 -21.667 986 H ASP 112 H ASP 112 -4.249 3.515 -17.454 987 HA ASP 112 HA ASP 112 -1.840 4.962 -16.584 988 HB2 ASP 112 HB3 ASP 112 -3.924 6.280 -17.115 989 HB3 ASP 112 HB2 ASP 112 -4.682 5.518 -15.721 990 H VAL 113 H VAL 113 -1.589 2.489 -15.900 991 HA VAL 113 HA VAL 113 -2.731 1.762 -13.422 992 HB VAL 113 HB VAL 113 -0.856 0.087 -13.340 993 HG11 VAL 113 HG11 VAL 113 -1.802 -1.269 -15.125 994 HG12 VAL 113 HG12 VAL 113 -2.562 0.167 -15.815 995 HG13 VAL 113 HG13 VAL 113 -3.053 -0.414 -14.224 996 HG21 VAL 113 HG21 VAL 113 0.458 -0.237 -15.366 997 HG22 VAL 113 HG22 VAL 113 0.774 1.342 -14.647 998 HG23 VAL 113 HG23 VAL 113 -0.261 1.210 -16.069 999 H GLU 114 H GLU 114 -1.564 1.363 -11.488 1000 HA GLU 114 HA GLU 114 0.778 3.025 -10.979 1001 HB2 GLU 114 HB3 GLU 114 -1.162 4.471 -10.496 1002 HB3 GLU 114 HB2 GLU 114 -1.789 3.259 -9.389 1003 HG2 GLU 114 HG3 GLU 114 -0.103 3.657 -7.820 1004 HG3 GLU 114 HG2 GLU 114 0.906 4.509 -8.988 1005 H THR 115 H THR 115 2.145 2.068 -9.513 1006 HA THR 115 HA THR 115 1.170 -0.457 -8.368 1007 HB THR 115 HB THR 115 3.869 -0.068 -9.675 1008 HG1 THR 115 HG1 THR 115 2.303 -0.210 -11.273 1009 HG21 THR 115 HG21 THR 115 3.908 -1.686 -7.837 1010 HG22 THR 115 HG22 THR 115 4.090 -2.495 -9.393 1011 HG23 THR 115 HG23 THR 115 2.540 -2.539 -8.552 1012 H TYR 116 H TYR 116 1.362 -0.501 -6.309 1013 HA TYR 116 HA TYR 116 3.364 1.152 -4.916 1014 HB2 TYR 116 HB3 TYR 116 1.070 -0.390 -3.676 1015 HB3 TYR 116 HB2 TYR 116 2.009 0.903 -2.949 1016 HD1 TYR 116 HD1 TYR 116 -0.207 0.339 -5.899 1017 HD2 TYR 116 HD2 TYR 116 1.025 2.997 -2.826 1018 HE1 TYR 116 HE1 TYR 116 -1.931 1.932 -6.600 1019 HE2 TYR 116 HE2 TYR 116 -0.703 4.608 -3.519 1020 HH TYR 116 HH TYR 116 -1.988 5.001 -5.959 1021 H GLU 117 H GLU 117 4.769 0.011 -3.244 1022 HA GLU 117 HA GLU 117 4.899 -2.857 -3.719 1023 HB2 GLU 117 HB3 GLU 117 7.303 -1.030 -3.921 1024 HB3 GLU 117 HB2 GLU 117 7.238 -2.751 -4.277 1025 HG2 GLU 117 HG3 GLU 117 5.891 -2.345 -6.226 1026 HG3 GLU 117 HG2 GLU 117 5.765 -0.635 -5.831 1027 H TYR 118 H TYR 118 5.209 -3.863 -1.811 1028 HA TYR 118 HA TYR 118 5.830 -2.167 0.503 1029 HB2 TYR 118 HB3 TYR 118 4.507 -4.887 0.502 1030 HB3 TYR 118 HB2 TYR 118 4.637 -3.770 1.855 1031 HD1 TYR 118 HD1 TYR 118 3.428 -1.523 1.670 1032 HD2 TYR 118 HD2 TYR 118 2.661 -4.765 -0.953 1033 HE1 TYR 118 HE1 TYR 118 1.283 -0.519 1.053 1034 HE2 TYR 118 HE2 TYR 118 0.539 -3.774 -1.577 1035 HH TYR 118 HH TYR 118 -1.074 -2.240 -0.533 1036 H ARG 119 H ARG 119 7.737 -2.321 1.351 1037 HA ARG 119 HA ARG 119 9.132 -4.922 1.351 1038 HB2 ARG 119 HB3 ARG 119 10.371 -2.163 1.181 1039 HB3 ARG 119 HB2 ARG 119 11.257 -3.680 1.263 1040 HG2 ARG 119 HG3 ARG 119 10.498 -4.334 -0.894 1041 HG3 ARG 119 HG2 ARG 119 9.349 -2.996 -0.958 1042 HD2 ARG 119 HD3 ARG 119 12.353 -2.752 -0.886 1043 HD3 ARG 119 HD2 ARG 119 11.331 -2.530 -2.307 1044 HE ARG 119 HE ARG 119 10.346 -0.776 -0.452 1045 HH11 ARG 119 HH11 ARG 119 13.454 -1.298 -1.973 1046 HH12 ARG 119 HH12 ARG 119 13.940 0.363 -1.833 1047 HH21 ARG 119 HH21 ARG 119 10.987 1.418 -0.285 1048 HH22 ARG 119 HH22 ARG 119 12.548 1.898 -0.867 1049 H ARG 120 H ARG 120 10.412 -5.335 3.271 1050 HA ARG 120 HA ARG 120 9.526 -3.709 5.562 1051 HB2 ARG 120 HB3 ARG 120 8.784 -6.073 5.621 1052 HB3 ARG 120 HB2 ARG 120 10.466 -6.584 5.568 1053 HG2 ARG 120 HG3 ARG 120 9.820 -6.724 7.826 1054 HG3 ARG 120 HG2 ARG 120 10.802 -5.267 7.700 1055 HD2 ARG 120 HD3 ARG 120 8.770 -3.903 7.593 1056 HD3 ARG 120 HD2 ARG 120 7.789 -5.363 7.710 1057 HE ARG 120 HE ARG 120 9.671 -4.681 9.869 1058 HH11 ARG 120 HH11 ARG 120 6.413 -5.331 8.764 1059 HH12 ARG 120 HH12 ARG 120 5.724 -5.290 10.356 1060 HH21 ARG 120 HH21 ARG 120 8.752 -4.662 11.982 1061 HH22 ARG 120 HH22 ARG 120 7.051 -4.903 12.178 1062 H ASP 121 H ASP 121 11.000 -2.623 6.678 1063 HA ASP 121 HA ASP 121 13.803 -3.495 6.488 1064 HB2 ASP 121 HB3 ASP 121 13.409 -1.391 5.220 1065 HB3 ASP 121 HB2 ASP 121 12.837 -0.636 6.705 1066 H GLY 122 H GLY 122 13.710 -4.659 8.360 1067 HA2 GLY 122 HA3 GLY 122 13.902 -5.003 10.618 1068 HA3 GLY 122 HA2 GLY 122 14.078 -3.262 10.795 1069 H ASP 123 H ASP 123 12.457 -2.140 11.667 1070 HA ASP 123 HA ASP 123 9.989 -3.613 12.246 1071 HB2 ASP 123 HB3 ASP 123 9.628 -2.018 14.057 1072 HB3 ASP 123 HB2 ASP 123 11.213 -2.767 14.199 1073 H TYR 124 H TYR 124 11.080 -1.513 9.994 1074 HA TYR 124 HA TYR 124 8.632 0.113 9.954 1075 HB2 TYR 124 HB3 TYR 124 11.245 0.433 8.466 1076 HB3 TYR 124 HB2 TYR 124 9.845 1.474 8.246 1077 HD1 TYR 124 HD1 TYR 124 12.615 0.584 10.455 1078 HD2 TYR 124 HD2 TYR 124 9.208 3.079 9.956 1079 HE1 TYR 124 HE1 TYR 124 13.392 2.002 12.307 1080 HE2 TYR 124 HE2 TYR 124 9.975 4.507 11.805 1081 HH TYR 124 HH TYR 124 11.397 4.440 13.717 1082 H LEU 125 H LEU 125 7.081 -0.208 8.441 1083 HA LEU 125 HA LEU 125 7.557 -2.017 6.232 1084 HB2 LEU 125 HB3 LEU 125 5.390 -1.928 7.503 1085 HB3 LEU 125 HB2 LEU 125 5.145 -0.305 6.913 1086 HG LEU 125 HG LEU 125 3.821 -2.175 5.804 1087 HD11 LEU 125 HD11 LEU 125 5.469 -0.461 3.959 1088 HD12 LEU 125 HD12 LEU 125 4.044 0.082 4.846 1089 HD13 LEU 125 HD13 LEU 125 3.888 -1.176 3.622 1090 HD21 LEU 125 HD21 LEU 125 6.478 -2.724 4.496 1091 HD22 LEU 125 HD22 LEU 125 4.925 -3.415 4.022 1092 HD23 LEU 125 HD23 LEU 125 5.617 -3.798 5.599 1093 H VAL 126 H VAL 126 8.528 -1.270 4.431 1094 HA VAL 126 HA VAL 126 8.740 1.645 4.175 1095 HB VAL 126 HB VAL 126 10.498 -0.466 2.912 1096 HG11 VAL 126 HG11 VAL 126 10.367 1.568 1.573 1097 HG12 VAL 126 HG12 VAL 126 11.951 1.434 2.336 1098 HG13 VAL 126 HG13 VAL 126 10.748 2.545 2.991 1099 HG21 VAL 126 HG21 VAL 126 12.198 0.315 4.506 1100 HG22 VAL 126 HG22 VAL 126 10.801 -0.387 5.320 1101 HG23 VAL 126 HG23 VAL 126 10.996 1.364 5.258 1102 H MET 127 H MET 127 7.162 2.331 2.996 1103 HA MET 127 HA MET 127 5.958 0.924 0.845 1104 HB2 MET 127 HB3 MET 127 4.982 2.766 2.336 1105 HB3 MET 127 HB2 MET 127 5.867 3.895 1.324 1106 HG2 MET 127 HG3 MET 127 3.581 3.748 0.603 1107 HG3 MET 127 HG2 MET 127 4.650 3.079 -0.633 1108 HE1 MET 127 HE1 MET 127 1.318 0.968 -0.788 1109 HE2 MET 127 HE2 MET 127 2.296 2.210 -1.571 1110 HE3 MET 127 HE3 MET 127 1.363 2.605 -0.129 1111 H LYS 128 H LYS 128 6.583 0.853 -1.267 1112 HA LYS 128 HA LYS 128 8.484 2.898 -2.180 1113 HB2 LYS 128 HB3 LYS 128 9.723 0.840 -1.854 1114 HB3 LYS 128 HB2 LYS 128 8.512 -0.077 -2.735 1115 HG2 LYS 128 HG3 LYS 128 10.445 0.236 -4.120 1116 HG3 LYS 128 HG2 LYS 128 9.104 1.169 -4.782 1117 HD2 LYS 128 HD3 LYS 128 10.009 3.198 -3.758 1118 HD3 LYS 128 HD2 LYS 128 11.345 2.264 -3.080 1119 HE2 LYS 128 HE3 LYS 128 10.743 2.598 -6.019 1120 HE3 LYS 128 HE2 LYS 128 11.993 3.464 -5.127 1121 HZ1 LYS 128 HZ1 LYS 128 13.099 1.379 -4.687 1122 HZ2 LYS 128 HZ2 LYS 128 12.879 1.564 -6.352 1123 HZ3 LYS 128 HZ3 LYS 128 11.881 0.515 -5.479 1124 H MET 129 H MET 129 7.970 3.814 -4.105 1125 HA MET 129 HA MET 129 6.282 2.487 -6.012 1126 HB2 MET 129 HB3 MET 129 4.669 3.394 -4.301 1127 HB3 MET 129 HB2 MET 129 5.241 5.006 -4.698 1128 HG2 MET 129 HG3 MET 129 4.338 4.901 -6.868 1129 HG3 MET 129 HG2 MET 129 4.071 3.161 -6.749 1130 HE1 MET 129 HE1 MET 129 3.107 6.553 -4.942 1131 HE2 MET 129 HE2 MET 129 3.295 5.375 -3.642 1132 HE3 MET 129 HE3 MET 129 1.699 6.020 -4.024 1133 H SER 130 H SER 130 6.536 3.397 -8.067 1134 HA SER 130 HA SER 130 8.026 5.905 -8.223 1135 HB2 SER 130 HB3 SER 130 9.687 4.048 -8.114 1136 HB3 SER 130 HB2 SER 130 8.988 3.387 -9.589 1137 HG SER 130 HG SER 130 9.893 6.057 -9.492 1138 H TRP 131 H TRP 131 7.843 6.995 -10.097 1139 HA TRP 131 HA TRP 131 6.559 5.849 -12.432 1140 HB2 TRP 131 HB3 TRP 131 4.657 6.587 -10.989 1141 HB3 TRP 131 HB2 TRP 131 5.326 8.216 -10.999 1142 HD1 TRP 131 HD1 TRP 131 4.954 9.682 -13.157 1143 HE1 TRP 131 HE1 TRP 131 3.409 9.430 -15.197 1144 HE3 TRP 131 HE3 TRP 131 3.645 4.778 -12.572 1145 HZ2 TRP 131 HZ2 TRP 131 1.848 7.425 -16.393 1146 HZ3 TRP 131 HZ3 TRP 131 2.116 3.768 -14.213 1147 HH2 TRP 131 HH2 TRP 131 1.236 5.065 -16.085 1148 H LYS 132 H LYS 132 7.307 6.765 -14.235 1149 HA LYS 132 HA LYS 132 8.573 8.010 -15.601 1150 HB2 LYS 132 HB3 LYS 132 6.706 9.620 -14.613 1151 HB3 LYS 132 HB2 LYS 132 8.113 10.446 -13.956 1152 HG2 LYS 132 HG3 LYS 132 9.027 10.692 -16.195 1153 HG3 LYS 132 HG2 LYS 132 7.642 9.819 -16.853 1154 HD2 LYS 132 HD3 LYS 132 7.446 12.393 -15.311 1155 HD3 LYS 132 HD2 LYS 132 7.460 12.282 -17.073 1156 HE2 LYS 132 HE3 LYS 132 5.444 11.006 -15.233 1157 HE3 LYS 132 HE2 LYS 132 5.190 12.441 -16.213 1158 HZ1 LYS 132 HZ1 LYS 132 5.544 11.114 -18.199 1159 HZ2 LYS 132 HZ2 LYS 132 4.265 10.500 -17.286 1160 HZ3 LYS 132 HZ3 LYS 132 5.767 9.729 -17.257 1161 H GLY 133 H GLY 133 9.992 6.727 -13.531 1162 HA2 GLY 133 HA3 GLY 133 12.236 6.670 -12.926 1163 HA3 GLY 133 HA2 GLY 133 12.414 8.307 -13.536 1164 H VAL 134 H VAL 134 9.946 8.922 -11.773 1165 HA VAL 134 HA VAL 134 11.498 9.854 -9.533 1166 HB VAL 134 HB VAL 134 8.507 10.045 -9.926 1167 HG11 VAL 134 HG11 VAL 134 10.413 11.674 -8.253 1168 HG12 VAL 134 HG12 VAL 134 9.237 10.505 -7.658 1169 HG13 VAL 134 HG13 VAL 134 8.689 11.987 -8.441 1170 HG21 VAL 134 HG21 VAL 134 10.681 11.916 -10.858 1171 HG22 VAL 134 HG22 VAL 134 8.964 12.309 -10.830 1172 HG23 VAL 134 HG23 VAL 134 9.550 11.007 -11.864 1173 H SER 135 H SER 135 11.957 8.509 -7.902 1174 HA SER 135 HA SER 135 9.993 6.465 -7.181 1175 HB2 SER 135 HB3 SER 135 12.258 5.882 -5.774 1176 HB3 SER 135 HB2 SER 135 11.842 5.202 -7.342 1177 HG SER 135 HG SER 135 13.756 7.086 -6.655 1178 H THR 136 H THR 136 9.059 6.423 -5.249 1179 HA THR 136 HA THR 136 10.008 8.317 -3.208 1180 HB THR 136 HB THR 136 7.996 9.273 -4.171 1181 HG1 THR 136 HG1 THR 136 8.307 9.330 -1.841 1182 HG21 THR 136 HG21 THR 136 6.997 7.231 -5.085 1183 HG22 THR 136 HG22 THR 136 5.845 8.120 -4.089 1184 HG23 THR 136 HG23 THR 136 6.633 6.677 -3.449 1185 H SER 137 H SER 137 9.672 7.692 -1.036 1186 HA SER 137 HA SER 137 8.618 5.018 -0.558 1187 HB2 SER 137 HB3 SER 137 11.348 5.929 0.389 1188 HB3 SER 137 HB2 SER 137 10.556 4.431 0.862 1189 HG SER 137 HG SER 137 10.644 4.762 -1.843 1190 H ARG 138 H ARG 138 7.313 5.013 1.158 1191 HA ARG 138 HA ARG 138 7.567 7.176 3.120 1192 HB2 ARG 138 HB3 ARG 138 5.366 5.147 2.733 1193 HB3 ARG 138 HB2 ARG 138 5.419 6.300 4.050 1194 HG2 ARG 138 HG3 ARG 138 5.552 8.041 2.087 1195 HG3 ARG 138 HG2 ARG 138 4.798 6.724 1.182 1196 HD2 ARG 138 HD3 ARG 138 3.170 6.556 3.146 1197 HD3 ARG 138 HD2 ARG 138 3.792 8.126 3.639 1198 HE ARG 138 HE ARG 138 2.435 7.599 1.068 1199 HH11 ARG 138 HH11 ARG 138 3.209 9.714 3.764 1200 HH12 ARG 138 HH12 ARG 138 2.142 10.976 3.254 1201 HH21 ARG 138 HH21 ARG 138 0.991 9.253 0.424 1202 HH22 ARG 138 HH22 ARG 138 0.859 10.705 1.361 1203 H TYR 139 H TYR 139 7.776 6.716 5.321 1204 HA TYR 139 HA TYR 139 8.771 4.008 5.866 1205 HB2 TYR 139 HB3 TYR 139 9.410 6.622 7.249 1206 HB3 TYR 139 HB2 TYR 139 10.020 5.045 7.747 1207 HD1 TYR 139 HD1 TYR 139 10.248 7.703 5.234 1208 HD2 TYR 139 HD2 TYR 139 11.712 3.892 6.427 1209 HE1 TYR 139 HE1 TYR 139 12.115 7.933 3.650 1210 HE2 TYR 139 HE2 TYR 139 13.581 4.113 4.847 1211 HH TYR 139 HH TYR 139 14.422 7.018 3.366 1212 H TYR 140 H TYR 140 7.136 2.878 6.604 1213 HA TYR 140 HA TYR 140 5.104 4.155 8.264 1214 HB2 TYR 140 HB3 TYR 140 5.212 1.579 6.728 1215 HB3 TYR 140 HB2 TYR 140 3.996 1.825 7.975 1216 HD1 TYR 140 HD1 TYR 140 2.188 3.443 7.640 1217 HD2 TYR 140 HD2 TYR 140 5.146 2.806 4.648 1218 HE1 TYR 140 HE1 TYR 140 0.782 4.621 5.991 1219 HE2 TYR 140 HE2 TYR 140 3.750 3.974 3.008 1220 HH TYR 140 HH TYR 140 0.759 5.596 3.928 1221 H LYS 141 H LYS 141 5.003 3.900 10.347 1222 HA LYS 141 HA LYS 141 6.848 2.126 11.727 1223 HB2 LYS 141 HB3 LYS 141 6.394 4.583 12.330 1224 HB3 LYS 141 HB2 LYS 141 4.817 4.046 12.884 1225 HG2 LYS 141 HG3 LYS 141 6.026 4.065 14.830 1226 HG3 LYS 141 HG2 LYS 141 6.182 2.381 14.327 1227 HD2 LYS 141 HD3 LYS 141 8.336 3.104 14.958 1228 HD3 LYS 141 HD2 LYS 141 8.334 3.031 13.204 1229 HE2 LYS 141 HE3 LYS 141 9.441 5.055 14.008 1230 HE3 LYS 141 HE2 LYS 141 7.987 5.438 13.094 1231 HZ1 LYS 141 HZ1 LYS 141 8.275 5.454 16.048 1232 HZ2 LYS 141 HZ2 LYS 141 6.813 5.696 15.233 1233 HZ3 LYS 141 HZ3 LYS 141 8.082 6.802 15.039 1234 H LYS 142 H LYS 142 5.976 0.405 13.122 1235 HA LYS 142 HA LYS 142 3.452 -0.636 12.693 1236 HB2 LYS 142 HB3 LYS 142 5.296 -1.728 13.988 1237 HB3 LYS 142 HB2 LYS 142 4.918 -0.668 15.338 1238 HG2 LYS 142 HG3 LYS 142 2.724 -1.655 15.551 1239 HG3 LYS 142 HG2 LYS 142 3.001 -2.648 14.119 1240 HD2 LYS 142 HD3 LYS 142 4.813 -3.807 15.247 1241 HD3 LYS 142 HD2 LYS 142 4.610 -2.779 16.667 1242 HE2 LYS 142 HE3 LYS 142 2.354 -3.663 16.987 1243 HE3 LYS 142 HE2 LYS 142 2.544 -4.677 15.558 1244 HZ1 LYS 142 HZ1 LYS 142 4.193 -4.855 18.021 1245 HZ2 LYS 142 HZ2 LYS 142 4.340 -5.844 16.657 1246 HZ3 LYS 142 HZ3 LYS 142 2.940 -5.910 17.601 1247 H GLN 143 H GLN 143 1.395 -0.434 13.910 1248 HA GLN 143 HA GLN 143 0.729 2.033 14.974 1249 HB2 GLN 143 HB3 GLN 143 -0.463 -0.689 15.298 1250 HB3 GLN 143 HB2 GLN 143 -1.130 0.691 16.161 1251 HG2 GLN 143 HG3 GLN 143 -0.794 0.499 13.183 1252 HG3 GLN 143 HG2 GLN 143 -2.295 0.225 14.062 1253 HE21 GLN 143 HE21 GLN 143 -1.585 2.207 12.029 1254 HE22 GLN 143 HE22 GLN 143 -1.948 3.743 12.737 1255 H21 OLA1001 H21 OLA1001 0.183 4.794 -1.698 1256 H22 OLA1001 H22 OLA1001 0.649 6.496 -1.681 1257 H31 OLA1001 H31 OLA1001 -1.582 5.263 -0.067 1258 H32 OLA1001 H32 OLA1001 -1.776 6.219 -1.537 1259 H41 OLA1001 H41 OLA1001 -1.008 8.187 -0.480 1260 H42 OLA1001 H42 OLA1001 -0.383 7.288 0.905 1261 H51 OLA1001 H51 OLA1001 -2.407 8.351 1.587 1262 H52 OLA1001 H52 OLA1001 -2.731 6.625 1.438 1263 H61 OLA1001 H61 OLA1001 -4.560 7.447 0.356 1264 H62 OLA1001 H62 OLA1001 -3.442 7.326 -1.003 1265 H71 OLA1001 H71 OLA1001 -2.865 9.690 -0.738 1266 H72 OLA1001 H72 OLA1001 -3.999 9.812 0.607 1267 H81 OLA1001 H81 OLA1001 -5.795 9.064 -0.954 1268 H82 OLA1001 H82 OLA1001 -4.629 9.188 -2.260 1269 H9 OLA1001 H9 OLA1001 -4.677 11.712 -0.905 1270 H10 OLA1001 H10 OLA1001 -6.387 12.541 -2.328 1271 H111 OLA1001 H111 OLA1001 -8.121 10.950 -2.956 1272 H112 OLA1001 H112 OLA1001 -7.008 9.604 -2.819 1273 H121 OLA1001 H121 OLA1001 -6.903 11.741 -4.938 1274 H122 OLA1001 H122 OLA1001 -7.568 10.123 -5.145 1275 H131 OLA1001 H131 OLA1001 -4.714 10.676 -4.350 1276 H132 OLA1001 H132 OLA1001 -5.239 10.413 -6.018 1277 H141 OLA1001 H141 OLA1001 -6.124 8.204 -5.360 1278 H142 OLA1001 H142 OLA1001 -5.497 8.459 -3.735 1279 H151 OLA1001 H151 OLA1001 -3.909 8.231 -6.281 1280 H152 OLA1001 H152 OLA1001 -3.955 7.080 -4.947 1281 H161 OLA1001 H161 OLA1001 -2.966 8.788 -3.468 1282 H162 OLA1001 H162 OLA1001 -2.863 9.884 -4.846 1283 H171 OLA1001 H171 OLA1001 -1.421 8.264 -6.007 1284 H172 OLA1001 H172 OLA1001 -1.481 7.220 -4.587 1285 H181 OLA1001 H181 OLA1001 0.444 8.266 -4.086 1286 H182 OLA1001 H182 OLA1001 -0.651 9.501 -3.444 1287 H183 OLA1001 H183 OLA1001 0.046 9.688 -5.064 Start of MODEL 20 1 H1 MET -11 H1 MET -11 2.301 -32.974 -9.778 2 H2 MET -11 H2 MET -11 3.799 -33.520 -10.340 3 H3 MET -11 H3 MET -11 2.561 -33.177 -11.435 4 HA MET -11 HA MET -11 2.623 -30.847 -10.809 5 HB2 MET -11 HB3 MET -11 4.988 -31.743 -9.145 6 HB3 MET -11 HB2 MET -11 4.566 -30.067 -9.461 7 HG2 MET -11 HG3 MET -11 2.862 -32.063 -7.988 8 HG3 MET -11 HG2 MET -11 3.837 -30.793 -7.251 9 HE1 MET -11 HE1 MET -11 1.730 -29.900 -5.908 10 HE2 MET -11 HE2 MET -11 0.752 -31.187 -6.614 11 HE3 MET -11 HE3 MET -11 0.182 -29.516 -6.662 12 H ARG -10 H ARG -10 2.937 -30.946 -13.060 13 HA ARG -10 HA ARG -10 5.762 -31.083 -13.886 14 HB2 ARG -10 HB3 ARG -10 3.310 -31.904 -15.451 15 HB3 ARG -10 HB2 ARG -10 4.951 -31.893 -16.084 16 HG2 ARG -10 HG3 ARG -10 5.625 -33.588 -14.515 17 HG3 ARG -10 HG2 ARG -10 4.052 -33.528 -13.721 18 HD2 ARG -10 HD3 ARG -10 4.148 -35.454 -15.159 19 HD3 ARG -10 HD2 ARG -10 3.004 -34.291 -15.821 20 HE ARG -10 HE ARG -10 5.475 -33.809 -17.012 21 HH11 ARG -10 HH11 ARG -10 3.072 -36.347 -16.898 22 HH12 ARG -10 HH12 ARG -10 3.450 -36.953 -18.476 23 HH21 ARG -10 HH21 ARG -10 5.984 -34.604 -19.084 24 HH22 ARG -10 HH22 ARG -10 5.103 -35.951 -19.729 25 H GLY -9 H GLY -9 3.128 -29.092 -13.520 26 HA2 GLY -9 HA3 GLY -9 3.046 -26.807 -13.954 27 HA3 GLY -9 HA2 GLY -9 4.441 -26.984 -15.007 28 H SER -8 H SER -8 2.024 -29.236 -15.692 29 HA SER -8 HA SER -8 1.455 -27.822 -18.166 30 HB2 SER -8 HB3 SER -8 0.715 -30.637 -17.340 31 HB3 SER -8 HB2 SER -8 0.598 -29.955 -18.963 32 HG SER -8 HG SER -8 2.528 -31.198 -18.614 33 H HIS -7 H HIS -7 -0.376 -29.365 -15.519 34 HA HIS -7 HA HIS -7 -2.715 -27.829 -16.439 35 HB2 HIS -7 HB3 HIS -7 -4.143 -29.519 -15.394 36 HB3 HIS -7 HB2 HIS -7 -3.092 -30.241 -16.602 37 HD1 HIS -7 HD1 HIS -7 -1.688 -32.185 -15.864 38 HD2 HIS -7 HD2 HIS -7 -3.331 -30.103 -12.660 39 HE1 HIS -7 HE1 HIS -7 -1.194 -33.571 -13.831 40 HE2 HIS -7 HE2 HIS -7 -2.261 -32.337 -11.916 41 H HIS -6 H HIS -6 -4.052 -26.830 -14.882 42 HA HIS -6 HA HIS -6 -4.436 -25.539 -13.042 43 HB2 HIS -6 HB3 HIS -6 -4.493 -27.885 -12.046 44 HB3 HIS -6 HB2 HIS -6 -2.840 -27.608 -11.517 45 HD1 HIS -6 HD1 HIS -6 -2.513 -26.297 -9.383 46 HD2 HIS -6 HD2 HIS -6 -6.443 -26.235 -10.735 47 HE1 HIS -6 HE1 HIS -6 -3.858 -25.288 -7.517 48 HE2 HIS -6 HE2 HIS -6 -6.248 -25.421 -8.288 49 H HIS -5 H HIS -5 -2.408 -24.647 -14.586 50 HA HIS -5 HA HIS -5 -0.156 -24.107 -12.787 51 HB2 HIS -5 HB3 HIS -5 1.186 -23.653 -14.756 52 HB3 HIS -5 HB2 HIS -5 0.411 -25.220 -14.915 53 HD1 HIS -5 HD1 HIS -5 -0.904 -25.613 -17.024 54 HD2 HIS -5 HD2 HIS -5 -0.032 -21.590 -16.415 55 HE1 HIS -5 HE1 HIS -5 -1.616 -24.439 -19.125 56 HE2 HIS -5 HE2 HIS -5 -0.928 -22.040 -18.796 57 H HIS -4 H HIS -4 -2.919 -22.611 -13.939 58 HA HIS -4 HA HIS -4 -1.860 -19.987 -14.319 59 HB2 HIS -4 HB3 HIS -4 -4.125 -19.188 -14.383 60 HB3 HIS -4 HB2 HIS -4 -4.060 -20.708 -15.255 61 HD1 HIS -4 HD1 HIS -4 -5.896 -18.963 -12.675 62 HD2 HIS -4 HD2 HIS -4 -5.194 -22.932 -13.687 63 HE1 HIS -4 HE1 HIS -4 -7.665 -20.290 -11.477 64 HE2 HIS -4 HE2 HIS -4 -7.330 -22.657 -12.259 65 H HIS -3 H HIS -3 -2.802 -21.844 -11.579 66 HA HIS -3 HA HIS -3 -1.518 -19.882 -9.870 67 HB2 HIS -3 HB3 HIS -3 -4.390 -20.713 -9.527 68 HB3 HIS -3 HB2 HIS -3 -3.412 -20.298 -8.125 69 HD1 HIS -3 HD1 HIS -3 -2.399 -17.800 -8.157 70 HD2 HIS -3 HD2 HIS -3 -5.481 -18.584 -10.827 71 HE1 HIS -3 HE1 HIS -3 -3.260 -15.551 -8.873 72 HE2 HIS -3 HE2 HIS -3 -4.978 -16.053 -10.643 73 H HIS -2 H HIS -2 0.125 -21.254 -9.381 74 HA HIS -2 HA HIS -2 -0.469 -24.039 -8.766 75 HB2 HIS -2 HB3 HIS -2 1.458 -23.316 -10.254 76 HB3 HIS -2 HB2 HIS -2 2.244 -22.706 -8.803 77 HD1 HIS -2 HD1 HIS -2 3.899 -24.309 -7.921 78 HD2 HIS -2 HD2 HIS -2 0.710 -26.241 -9.755 79 HE1 HIS -2 HE1 HIS -2 4.399 -26.766 -7.733 80 HE2 HIS -2 HE2 HIS -2 2.525 -27.907 -8.974 81 H GLY -1 H GLY -1 -1.651 -22.689 -6.877 82 HA2 GLY -1 HA3 GLY -1 -1.785 -22.925 -4.556 83 HA3 GLY -1 HA2 GLY -1 -0.067 -23.286 -4.513 84 H SER 0 H SER 0 -1.543 -21.472 -2.822 85 HA SER 0 HA SER 0 -0.680 -18.831 -3.688 86 HB2 SER 0 HB3 SER 0 -2.115 -19.611 -1.140 87 HB3 SER 0 HB2 SER 0 -1.968 -17.994 -1.829 88 HG SER 0 HG SER 0 -3.363 -18.523 -3.421 89 H LYS 1 H LYS 1 1.183 -17.947 -3.043 90 HA LYS 1 HA LYS 1 2.902 -19.163 -1.125 91 HB2 LYS 1 HB3 LYS 1 2.915 -16.407 -2.379 92 HB3 LYS 1 HB2 LYS 1 4.181 -17.002 -1.316 93 HG2 LYS 1 HG3 LYS 1 4.736 -18.748 -2.893 94 HG3 LYS 1 HG2 LYS 1 3.403 -18.259 -3.937 95 HD2 LYS 1 HD3 LYS 1 5.528 -17.397 -4.773 96 HD3 LYS 1 HD2 LYS 1 4.462 -16.081 -4.281 97 HE2 LYS 1 HE3 LYS 1 6.742 -15.661 -3.547 98 HE3 LYS 1 HE2 LYS 1 5.677 -15.894 -2.162 99 HZ1 LYS 1 HZ1 LYS 1 7.748 -17.069 -1.851 100 HZ2 LYS 1 HZ2 LYS 1 7.531 -17.920 -3.296 101 HZ3 LYS 1 HZ3 LYS 1 6.481 -18.179 -1.999 102 H THR 2 H THR 2 2.663 -19.068 1.035 103 HA THR 2 HA THR 2 0.586 -17.541 2.215 104 HB THR 2 HB THR 2 2.852 -18.603 3.847 105 HG1 THR 2 HG1 THR 2 0.812 -20.235 2.679 106 HG21 THR 2 HG21 THR 2 0.977 -17.538 4.976 107 HG22 THR 2 HG22 THR 2 0.997 -19.265 5.333 108 HG23 THR 2 HG23 THR 2 -0.151 -18.620 4.159 109 H LEU 3 H LEU 3 0.612 -15.512 2.916 110 HA LEU 3 HA LEU 3 2.660 -13.734 2.301 111 HB2 LEU 3 HB3 LEU 3 0.063 -13.577 3.371 112 HB3 LEU 3 HB2 LEU 3 1.108 -12.741 4.499 113 HG LEU 3 HG LEU 3 0.532 -12.068 1.632 114 HD11 LEU 3 HD11 LEU 3 -0.902 -11.128 3.345 115 HD12 LEU 3 HD12 LEU 3 0.090 -9.875 2.601 116 HD13 LEU 3 HD13 LEU 3 0.512 -10.502 4.192 117 HD21 LEU 3 HD21 LEU 3 2.280 -10.287 1.878 118 HD22 LEU 3 HD22 LEU 3 2.896 -11.924 1.684 119 HD23 LEU 3 HD23 LEU 3 2.881 -11.172 3.281 120 HA PRO 4 HA PRO 4 5.575 -14.536 5.641 121 HB2 PRO 4 HB3 PRO 4 6.573 -11.914 4.655 122 HB3 PRO 4 HB2 PRO 4 7.452 -13.423 4.922 123 HG2 PRO 4 HG3 PRO 4 6.863 -12.589 2.456 124 HG3 PRO 4 HG2 PRO 4 6.815 -14.309 2.882 125 HD2 PRO 4 HD3 PRO 4 4.560 -12.383 2.506 126 HD3 PRO 4 HD2 PRO 4 4.660 -14.107 2.089 127 H ASP 5 H ASP 5 5.073 -14.073 7.660 128 HA ASP 5 HA ASP 5 3.254 -12.201 8.526 129 HB2 ASP 5 HB3 ASP 5 5.463 -13.631 9.981 130 HB3 ASP 5 HB2 ASP 5 4.361 -12.544 10.816 131 H LYS 6 H LYS 6 6.601 -11.714 7.831 132 HA LYS 6 HA LYS 6 7.238 -9.452 9.250 133 HB2 LYS 6 HB3 LYS 6 7.909 -10.038 6.361 134 HB3 LYS 6 HB2 LYS 6 8.718 -8.845 7.366 135 HG2 LYS 6 HG3 LYS 6 9.448 -10.641 8.876 136 HG3 LYS 6 HG2 LYS 6 8.687 -11.820 7.809 137 HD2 LYS 6 HD3 LYS 6 10.933 -9.948 7.063 138 HD3 LYS 6 HD2 LYS 6 11.093 -11.671 7.399 139 HE2 LYS 6 HE3 LYS 6 9.541 -12.113 5.500 140 HE3 LYS 6 HE2 LYS 6 9.583 -10.391 5.125 141 HZ1 LYS 6 HZ1 LYS 6 11.887 -12.265 5.090 142 HZ2 LYS 6 HZ2 LYS 6 12.009 -10.596 4.842 143 HZ3 LYS 6 HZ3 LYS 6 11.142 -11.554 3.744 144 H PHE 7 H PHE 7 5.005 -9.697 6.518 145 HA PHE 7 HA PHE 7 4.993 -6.795 6.207 146 HB2 PHE 7 HB3 PHE 7 3.520 -8.942 4.665 147 HB3 PHE 7 HB2 PHE 7 3.516 -7.226 4.277 148 HD1 PHE 7 HD1 PHE 7 6.211 -6.374 4.413 149 HD2 PHE 7 HD2 PHE 7 4.683 -10.121 3.089 150 HE1 PHE 7 HE1 PHE 7 8.203 -6.688 3.006 151 HE2 PHE 7 HE2 PHE 7 6.676 -10.440 1.690 152 HZ PHE 7 HZ PHE 7 8.436 -8.724 1.645 153 H LEU 8 H LEU 8 3.523 -8.818 8.317 154 HA LEU 8 HA LEU 8 0.805 -7.846 7.851 155 HB2 LEU 8 HB3 LEU 8 1.824 -10.009 9.688 156 HB3 LEU 8 HB2 LEU 8 0.137 -9.582 9.462 157 HG LEU 8 HG LEU 8 1.956 -10.671 7.310 158 HD11 LEU 8 HD11 LEU 8 1.388 -12.294 9.090 159 HD12 LEU 8 HD12 LEU 8 0.736 -12.717 7.506 160 HD13 LEU 8 HD13 LEU 8 -0.318 -12.022 8.739 161 HD21 LEU 8 HD21 LEU 8 -0.979 -10.000 7.323 162 HD22 LEU 8 HD22 LEU 8 -0.180 -10.943 6.068 163 HD23 LEU 8 HD23 LEU 8 0.284 -9.263 6.337 164 H GLY 9 H GLY 9 -0.340 -6.700 9.308 165 HA2 GLY 9 HA3 GLY 9 -0.384 -6.146 11.821 166 HA3 GLY 9 HA2 GLY 9 1.214 -5.491 11.499 167 H THR 10 H THR 10 -0.513 -3.796 12.559 168 HA THR 10 HA THR 10 -1.537 -2.149 10.362 169 HB THR 10 HB THR 10 -1.920 -1.855 13.353 170 HG1 THR 10 HG1 THR 10 -2.907 -3.742 12.179 171 HG21 THR 10 HG21 THR 10 -3.714 -0.306 12.746 172 HG22 THR 10 HG22 THR 10 -3.301 -0.495 11.043 173 HG23 THR 10 HG23 THR 10 -2.153 0.252 12.148 174 H PHE 11 H PHE 11 -0.294 -0.502 9.665 175 HA PHE 11 HA PHE 11 1.862 0.465 11.447 176 HB2 PHE 11 HB3 PHE 11 1.950 0.468 8.429 177 HB3 PHE 11 HB2 PHE 11 3.279 0.752 9.543 178 HD1 PHE 11 HD1 PHE 11 4.322 -1.129 10.731 179 HD2 PHE 11 HD2 PHE 11 1.271 -1.733 7.826 180 HE1 PHE 11 HE1 PHE 11 4.953 -3.504 10.564 181 HE2 PHE 11 HE2 PHE 11 1.892 -4.106 7.660 182 HZ PHE 11 HZ PHE 11 3.735 -4.994 9.028 183 H LYS 12 H LYS 12 1.955 2.664 11.843 184 HA LYS 12 HA LYS 12 0.271 4.372 10.148 185 HB2 LYS 12 HB3 LYS 12 0.829 6.182 11.760 186 HB3 LYS 12 HB2 LYS 12 0.003 4.819 12.481 187 HG2 LYS 12 HG3 LYS 12 1.620 5.366 14.041 188 HG3 LYS 12 HG2 LYS 12 2.336 4.009 13.174 189 HD2 LYS 12 HD3 LYS 12 4.007 5.721 13.521 190 HD3 LYS 12 HD2 LYS 12 3.627 5.615 11.804 191 HE2 LYS 12 HE3 LYS 12 3.780 7.926 12.376 192 HE3 LYS 12 HE2 LYS 12 2.081 7.555 12.108 193 HZ1 LYS 12 HZ1 LYS 12 3.415 7.785 14.749 194 HZ2 LYS 12 HZ2 LYS 12 1.786 7.404 14.508 195 HZ3 LYS 12 HZ3 LYS 12 2.372 8.925 14.062 196 H LEU 13 H LEU 13 1.040 5.817 8.705 197 HA LEU 13 HA LEU 13 3.565 5.706 7.609 198 HB2 LEU 13 HB3 LEU 13 1.413 6.809 6.748 199 HB3 LEU 13 HB2 LEU 13 1.896 8.215 7.672 200 HG LEU 13 HG LEU 13 3.667 7.022 5.544 201 HD11 LEU 13 HD11 LEU 13 1.551 9.147 5.252 202 HD12 LEU 13 HD12 LEU 13 1.573 7.562 4.476 203 HD13 LEU 13 HD13 LEU 13 2.783 8.771 4.049 204 HD21 LEU 13 HD21 LEU 13 4.725 8.557 7.131 205 HD22 LEU 13 HD22 LEU 13 3.511 9.780 6.751 206 HD23 LEU 13 HD23 LEU 13 4.646 9.248 5.510 207 H GLU 14 H GLU 14 5.469 6.066 8.580 208 HA GLU 14 HA GLU 14 5.726 7.841 10.819 209 HB2 GLU 14 HB3 GLU 14 6.974 5.670 10.533 210 HB3 GLU 14 HB2 GLU 14 7.889 6.426 9.241 211 HG2 GLU 14 HG3 GLU 14 7.840 7.629 11.979 212 HG3 GLU 14 HG2 GLU 14 8.903 6.276 11.607 213 H ARG 15 H ARG 15 7.045 7.744 7.504 214 HA ARG 15 HA ARG 15 6.768 10.578 7.219 215 HB2 ARG 15 HB3 ARG 15 9.021 11.245 7.118 216 HB3 ARG 15 HB2 ARG 15 8.925 10.250 8.564 217 HG2 ARG 15 HG3 ARG 15 9.775 8.337 7.209 218 HG3 ARG 15 HG2 ARG 15 10.040 9.476 5.884 219 HD2 ARG 15 HD3 ARG 15 11.435 10.825 7.495 220 HD3 ARG 15 HD2 ARG 15 11.326 9.459 8.603 221 HE ARG 15 HE ARG 15 12.842 9.600 6.126 222 HH11 ARG 15 HH11 ARG 15 11.613 7.603 8.723 223 HH12 ARG 15 HH12 ARG 15 12.793 6.350 8.482 224 HH21 ARG 15 HH21 ARG 15 14.388 7.959 5.802 225 HH22 ARG 15 HH22 ARG 15 14.381 6.558 6.822 226 H ASP 16 H ASP 16 8.058 11.210 5.064 227 HA ASP 16 HA ASP 16 7.723 9.028 3.129 228 HB2 ASP 16 HB3 ASP 16 6.461 10.434 1.618 229 HB3 ASP 16 HB2 ASP 16 5.639 10.386 3.173 230 H GLU 17 H GLU 17 8.759 9.457 1.058 231 HA GLU 17 HA GLU 17 10.757 11.589 1.085 232 HB2 GLU 17 HB3 GLU 17 11.827 9.549 2.020 233 HB3 GLU 17 HB2 GLU 17 11.429 8.689 0.540 234 HG2 GLU 17 HG3 GLU 17 12.799 10.309 -0.722 235 HG3 GLU 17 HG2 GLU 17 13.243 11.062 0.808 236 H ASN 18 H ASN 18 10.465 12.672 -0.746 237 HA ASN 18 HA ASN 18 10.319 13.169 -2.961 238 HB2 ASN 18 HB3 ASN 18 11.941 11.119 -3.049 239 HB3 ASN 18 HB2 ASN 18 10.550 10.274 -3.715 240 HD21 ASN 18 HD21 ASN 18 11.440 9.980 -5.721 241 HD22 ASN 18 HD22 ASN 18 11.720 11.285 -6.828 242 H PHE 19 H PHE 19 8.034 12.375 -1.328 243 HA PHE 19 HA PHE 19 6.240 10.859 -2.988 244 HB2 PHE 19 HB3 PHE 19 6.127 10.865 -0.483 245 HB3 PHE 19 HB2 PHE 19 5.541 12.523 -0.562 246 HD1 PHE 19 HD1 PHE 19 4.710 9.433 -2.510 247 HD2 PHE 19 HD2 PHE 19 3.332 12.591 -0.008 248 HE1 PHE 19 HE1 PHE 19 2.397 8.633 -2.766 249 HE2 PHE 19 HE2 PHE 19 1.024 11.791 -0.260 250 HZ PHE 19 HZ PHE 19 0.582 9.729 -1.655 251 H ASP 20 H ASP 20 6.605 14.281 -2.112 252 HA ASP 20 HA ASP 20 4.449 15.350 -3.471 253 HB2 ASP 20 HB3 ASP 20 6.034 16.616 -2.014 254 HB3 ASP 20 HB2 ASP 20 7.220 16.556 -3.313 255 H GLU 21 H GLU 21 7.735 14.848 -4.705 256 HA GLU 21 HA GLU 21 7.366 15.561 -7.339 257 HB2 GLU 21 HB3 GLU 21 9.134 13.422 -6.176 258 HB3 GLU 21 HB2 GLU 21 9.221 13.958 -7.847 259 HG2 GLU 21 HG3 GLU 21 9.653 15.675 -5.426 260 HG3 GLU 21 HG2 GLU 21 10.907 15.027 -6.471 261 H TYR 22 H TYR 22 6.796 12.376 -5.844 262 HA TYR 22 HA TYR 22 5.997 11.014 -8.148 263 HB2 TYR 22 HB3 TYR 22 6.369 9.810 -6.077 264 HB3 TYR 22 HB2 TYR 22 5.050 10.672 -5.294 265 HD1 TYR 22 HD1 TYR 22 2.775 9.978 -5.589 266 HD2 TYR 22 HD2 TYR 22 5.877 8.120 -7.831 267 HE1 TYR 22 HE1 TYR 22 1.214 8.208 -6.278 268 HE2 TYR 22 HE2 TYR 22 4.323 6.347 -8.525 269 HH TYR 22 HH TYR 22 2.261 5.341 -7.897 270 H LEU 23 H LEU 23 4.158 13.113 -5.978 271 HA LEU 23 HA LEU 23 1.610 12.556 -7.094 272 HB2 LEU 23 HB3 LEU 23 2.585 15.007 -5.618 273 HB3 LEU 23 HB2 LEU 23 0.905 14.640 -5.966 274 HG LEU 23 HG LEU 23 2.737 13.011 -4.206 275 HD11 LEU 23 HD11 LEU 23 0.378 14.762 -3.535 276 HD12 LEU 23 HD12 LEU 23 2.069 15.122 -3.190 277 HD13 LEU 23 HD13 LEU 23 1.277 13.758 -2.397 278 HD21 LEU 23 HD21 LEU 23 1.160 11.588 -5.362 279 HD22 LEU 23 HD22 LEU 23 -0.172 12.650 -4.908 280 HD23 LEU 23 HD23 LEU 23 0.697 11.748 -3.667 281 H LYS 24 H LYS 24 4.061 15.024 -7.737 282 HA LYS 24 HA LYS 24 2.645 16.534 -9.649 283 HB2 LYS 24 HB3 LYS 24 5.628 16.013 -9.570 284 HB3 LYS 24 HB2 LYS 24 4.822 17.362 -10.350 285 HG2 LYS 24 HG3 LYS 24 4.129 18.237 -8.209 286 HG3 LYS 24 HG2 LYS 24 4.820 16.837 -7.389 287 HD2 LYS 24 HD3 LYS 24 6.382 18.611 -7.159 288 HD3 LYS 24 HD2 LYS 24 7.046 17.499 -8.355 289 HE2 LYS 24 HE3 LYS 24 7.341 19.802 -9.069 290 HE3 LYS 24 HE2 LYS 24 6.239 18.954 -10.152 291 HZ1 LYS 24 HZ1 LYS 24 5.543 21.243 -9.493 292 HZ2 LYS 24 HZ2 LYS 24 5.317 20.672 -7.918 293 HZ3 LYS 24 HZ3 LYS 24 4.393 20.044 -9.188 294 H ALA 25 H ALA 25 5.023 13.964 -10.035 295 HA ALA 25 HA ALA 25 4.868 13.630 -12.798 296 HB1 ALA 25 HB1 ALA 25 6.610 12.624 -11.403 297 HB2 ALA 25 HB2 ALA 25 5.837 11.427 -12.443 298 HB3 ALA 25 HB3 ALA 25 5.423 11.507 -10.730 299 H ARG 26 H ARG 26 2.934 12.227 -10.230 300 HA ARG 26 HA ARG 26 1.539 10.343 -11.819 301 HB2 ARG 26 HB3 ARG 26 1.793 10.280 -9.327 302 HB3 ARG 26 HB2 ARG 26 0.643 11.603 -9.224 303 HG2 ARG 26 HG3 ARG 26 -0.411 9.473 -8.758 304 HG3 ARG 26 HG2 ARG 26 -1.080 10.202 -10.219 305 HD2 ARG 26 HD3 ARG 26 0.267 8.743 -11.599 306 HD3 ARG 26 HD2 ARG 26 1.056 8.076 -10.173 307 HE ARG 26 HE ARG 26 -1.011 7.010 -9.579 308 HH11 ARG 26 HH11 ARG 26 -1.026 8.512 -12.752 309 HH12 ARG 26 HH12 ARG 26 -2.275 7.475 -13.376 310 HH21 ARG 26 HH21 ARG 26 -2.660 5.677 -10.393 311 HH22 ARG 26 HH22 ARG 26 -3.203 5.871 -12.039 312 H GLY 27 H GLY 27 1.221 13.731 -11.469 313 HA2 GLY 27 HA3 GLY 27 -0.095 14.964 -13.030 314 HA3 GLY 27 HA2 GLY 27 -1.230 13.627 -13.085 315 H TYR 28 H TYR 28 -0.074 14.770 -10.000 316 HA TYR 28 HA TYR 28 -2.760 15.811 -9.478 317 HB2 TYR 28 HB3 TYR 28 -0.542 14.930 -7.633 318 HB3 TYR 28 HB2 TYR 28 -1.993 15.750 -7.060 319 HD1 TYR 28 HD1 TYR 28 -0.547 12.616 -7.581 320 HD2 TYR 28 HD2 TYR 28 -4.249 14.670 -7.972 321 HE1 TYR 28 HE1 TYR 28 -1.740 10.465 -7.525 322 HE2 TYR 28 HE2 TYR 28 -5.454 12.534 -7.916 323 HH TYR 28 HH TYR 28 -3.888 9.543 -7.145 324 H GLY 29 H GLY 29 -3.145 17.886 -9.288 325 HA2 GLY 29 HA3 GLY 29 -1.064 19.801 -9.722 326 HA3 GLY 29 HA2 GLY 29 -2.767 20.149 -9.459 327 H TRP 30 H TRP 30 -1.351 21.916 -8.335 328 HA TRP 30 HA TRP 30 0.113 21.531 -6.051 329 HB2 TRP 30 HB3 TRP 30 -0.014 23.680 -7.148 330 HB3 TRP 30 HB2 TRP 30 -1.724 23.818 -6.768 331 HD1 TRP 30 HD1 TRP 30 1.730 24.058 -5.111 332 HE1 TRP 30 HE1 TRP 30 1.479 25.348 -2.898 333 HE3 TRP 30 HE3 TRP 30 -3.356 24.437 -4.978 334 HZ2 TRP 30 HZ2 TRP 30 -0.614 26.391 -1.306 335 HZ3 TRP 30 HZ3 TRP 30 -4.408 25.596 -3.084 336 HH2 TRP 30 HH2 TRP 30 -3.068 26.548 -1.289 337 H ILE 31 H ILE 31 -3.412 22.128 -6.189 338 HA ILE 31 HA ILE 31 -3.911 22.133 -3.469 339 HB ILE 31 HB ILE 31 -5.548 21.651 -5.880 340 HG12 ILE 31 HG13 ILE 31 -5.194 23.876 -4.849 341 HG13 ILE 31 HG12 ILE 31 -6.894 23.417 -4.914 342 HG21 ILE 31 HG21 ILE 31 -6.298 19.774 -4.535 343 HG22 ILE 31 HG22 ILE 31 -7.545 21.023 -4.588 344 HG23 ILE 31 HG23 ILE 31 -6.539 20.842 -3.151 345 HD11 ILE 31 HD11 ILE 31 -6.811 22.776 -2.573 346 HD12 ILE 31 HD12 ILE 31 -6.326 24.457 -2.793 347 HD13 ILE 31 HD13 ILE 31 -5.106 23.214 -2.511 348 H MET 32 H MET 32 -4.180 19.353 -5.663 349 HA MET 32 HA MET 32 -4.782 17.461 -3.723 350 HB2 MET 32 HB3 MET 32 -3.335 17.137 -6.347 351 HB3 MET 32 HB2 MET 32 -3.826 15.782 -5.339 352 HG2 MET 32 HG3 MET 32 -5.544 17.736 -6.810 353 HG3 MET 32 HG2 MET 32 -5.492 15.990 -6.964 354 HE1 MET 32 HE1 MET 32 -6.999 15.004 -3.400 355 HE2 MET 32 HE2 MET 32 -5.307 15.346 -3.769 356 HE3 MET 32 HE3 MET 32 -6.266 14.356 -4.874 357 H ARG 33 H ARG 33 -1.641 18.623 -4.848 358 HA ARG 33 HA ARG 33 -0.129 16.719 -3.380 359 HB2 ARG 33 HB3 ARG 33 0.714 19.440 -4.386 360 HB3 ARG 33 HB2 ARG 33 1.797 18.159 -3.854 361 HG2 ARG 33 HG3 ARG 33 0.829 16.725 -5.668 362 HG3 ARG 33 HG2 ARG 33 -0.007 18.161 -6.257 363 HD2 ARG 33 HD3 ARG 33 2.970 17.782 -6.002 364 HD3 ARG 33 HD2 ARG 33 2.037 17.818 -7.496 365 HE ARG 33 HE ARG 33 2.593 20.116 -5.744 366 HH11 ARG 33 HH11 ARG 33 1.324 18.859 -8.758 367 HH12 ARG 33 HH12 ARG 33 1.476 20.375 -9.594 368 HH21 ARG 33 HH21 ARG 33 2.793 22.106 -6.846 369 HH22 ARG 33 HH22 ARG 33 2.302 22.217 -8.510 370 H GLN 34 H GLN 34 -1.839 19.510 -2.433 371 HA GLN 34 HA GLN 34 -0.286 19.859 0.007 372 HB2 GLN 34 HB3 GLN 34 -2.827 21.213 -0.930 373 HB3 GLN 34 HB2 GLN 34 -1.939 21.631 0.531 374 HG2 GLN 34 HG3 GLN 34 -0.898 21.848 -2.286 375 HG3 GLN 34 HG2 GLN 34 -1.477 23.182 -1.290 376 HE21 GLN 34 HE21 GLN 34 1.089 20.914 -1.837 377 HE22 GLN 34 HE22 GLN 34 2.254 21.669 -0.805 378 H VAL 35 H VAL 35 -3.005 18.086 -1.107 379 HA VAL 35 HA VAL 35 -3.991 17.594 1.588 380 HB VAL 35 HB VAL 35 -4.949 16.712 -1.142 381 HG11 VAL 35 HG11 VAL 35 -6.854 15.679 -0.090 382 HG12 VAL 35 HG12 VAL 35 -6.262 16.133 1.510 383 HG13 VAL 35 HG13 VAL 35 -5.377 14.951 0.545 384 HG21 VAL 35 HG21 VAL 35 -6.155 18.554 0.914 385 HG22 VAL 35 HG22 VAL 35 -6.876 18.123 -0.633 386 HG23 VAL 35 HG23 VAL 35 -5.375 19.047 -0.590 387 H ILE 36 H ILE 36 -3.120 15.587 -1.207 388 HA ILE 36 HA ILE 36 -3.125 13.109 -0.154 389 HB ILE 36 HB ILE 36 -1.110 14.061 -2.156 390 HG12 ILE 36 HG13 ILE 36 -3.996 13.198 -2.478 391 HG13 ILE 36 HG12 ILE 36 -3.399 14.836 -2.683 392 HG21 ILE 36 HG21 ILE 36 -2.461 11.422 -1.633 393 HG22 ILE 36 HG22 ILE 36 -0.757 11.798 -1.345 394 HG23 ILE 36 HG23 ILE 36 -1.389 11.766 -2.992 395 HD11 ILE 36 HD11 ILE 36 -2.077 14.107 -4.590 396 HD12 ILE 36 HD12 ILE 36 -3.796 13.762 -4.805 397 HD13 ILE 36 HD13 ILE 36 -2.683 12.464 -4.369 398 H LYS 37 H LYS 37 -0.209 15.252 -0.033 399 HA LYS 37 HA LYS 37 1.234 13.070 1.231 400 HB2 LYS 37 HB3 LYS 37 3.214 14.418 1.064 401 HB3 LYS 37 HB2 LYS 37 2.350 14.493 -0.464 402 HG2 LYS 37 HG3 LYS 37 1.466 16.672 0.134 403 HG3 LYS 37 HG2 LYS 37 2.312 16.595 1.679 404 HD2 LYS 37 HD3 LYS 37 4.453 16.459 0.465 405 HD3 LYS 37 HD2 LYS 37 3.575 16.630 -1.058 406 HE2 LYS 37 HE3 LYS 37 2.738 18.810 -0.331 407 HE3 LYS 37 HE2 LYS 37 3.602 18.637 1.196 408 HZ1 LYS 37 HZ1 LYS 37 5.679 18.630 -0.006 409 HZ2 LYS 37 HZ2 LYS 37 4.803 20.019 -0.389 410 HZ3 LYS 37 HZ3 LYS 37 4.868 18.734 -1.489 411 H LEU 38 H LEU 38 -0.868 15.277 2.389 412 HA LEU 38 HA LEU 38 0.519 15.433 4.985 413 HB2 LEU 38 HB3 LEU 38 -1.609 17.186 3.786 414 HB3 LEU 38 HB2 LEU 38 -1.310 17.162 5.511 415 HG LEU 38 HG LEU 38 -0.121 19.017 4.746 416 HD11 LEU 38 HD11 LEU 38 2.202 18.509 5.109 417 HD12 LEU 38 HD12 LEU 38 1.918 16.804 4.766 418 HD13 LEU 38 HD13 LEU 38 1.208 17.542 6.202 419 HD21 LEU 38 HD21 LEU 38 1.471 18.880 2.813 420 HD22 LEU 38 HD22 LEU 38 -0.238 18.749 2.399 421 HD23 LEU 38 HD23 LEU 38 0.767 17.304 2.445 422 H ALA 39 H ALA 39 -1.571 13.572 3.409 423 HA ALA 39 HA ALA 39 -3.552 13.228 5.481 424 HB1 ALA 39 HB1 ALA 39 -4.178 12.990 3.122 425 HB2 ALA 39 HB2 ALA 39 -4.467 11.502 4.023 426 HB3 ALA 39 HB3 ALA 39 -3.060 11.635 2.965 427 H GLY 40 H GLY 40 -3.239 11.987 7.197 428 HA2 GLY 40 HA3 GLY 40 -1.000 10.284 7.543 429 HA3 GLY 40 HA2 GLY 40 -2.427 10.333 8.574 430 H VAL 41 H VAL 41 -0.717 8.180 7.100 431 HA VAL 41 HA VAL 41 -2.999 6.760 5.900 432 HB VAL 41 HB VAL 41 -0.125 6.524 4.992 433 HG11 VAL 41 HG11 VAL 41 -2.676 5.393 3.848 434 HG12 VAL 41 HG12 VAL 41 -1.414 4.484 4.685 435 HG13 VAL 41 HG13 VAL 41 -1.071 5.244 3.131 436 HG21 VAL 41 HG21 VAL 41 -0.859 7.677 2.949 437 HG22 VAL 41 HG22 VAL 41 -1.003 8.703 4.375 438 HG23 VAL 41 HG23 VAL 41 -2.439 7.950 3.685 439 H THR 42 H THR 42 -3.480 4.923 6.849 440 HA THR 42 HA THR 42 -1.429 3.610 8.508 441 HB THR 42 HB THR 42 -4.422 3.379 8.851 442 HG1 THR 42 HG1 THR 42 -3.586 5.551 9.215 443 HG21 THR 42 HG21 THR 42 -3.098 1.544 9.797 444 HG22 THR 42 HG22 THR 42 -3.832 2.525 11.066 445 HG23 THR 42 HG23 THR 42 -2.119 2.710 10.687 446 H LYS 43 H LYS 43 -0.668 1.842 7.574 447 HA LYS 43 HA LYS 43 -2.243 0.409 5.582 448 HB2 LYS 43 HB3 LYS 43 0.620 0.093 6.512 449 HB3 LYS 43 HB2 LYS 43 -0.126 -0.893 5.263 450 HG2 LYS 43 HG3 LYS 43 0.098 2.103 5.097 451 HG3 LYS 43 HG2 LYS 43 1.294 0.989 4.429 452 HD2 LYS 43 HD3 LYS 43 -0.370 0.017 2.975 453 HD3 LYS 43 HD2 LYS 43 -1.634 1.012 3.698 454 HE2 LYS 43 HE3 LYS 43 -0.591 3.013 2.841 455 HE3 LYS 43 HE2 LYS 43 0.768 2.075 2.218 456 HZ1 LYS 43 HZ1 LYS 43 -0.691 0.986 0.667 457 HZ2 LYS 43 HZ2 LYS 43 -0.874 2.669 0.497 458 HZ3 LYS 43 HZ3 LYS 43 -2.044 1.763 1.320 459 H LYS 44 H LYS 44 -3.063 -1.630 5.857 460 HA LYS 44 HA LYS 44 -2.602 -2.915 8.462 461 HB2 LYS 44 HB3 LYS 44 -5.301 -2.563 7.159 462 HB3 LYS 44 HB2 LYS 44 -4.983 -3.382 8.678 463 HG2 LYS 44 HG3 LYS 44 -4.284 -1.294 9.684 464 HG3 LYS 44 HG2 LYS 44 -4.530 -0.453 8.153 465 HD2 LYS 44 HD3 LYS 44 -6.910 -1.041 8.228 466 HD3 LYS 44 HD2 LYS 44 -6.654 -1.863 9.767 467 HE2 LYS 44 HE3 LYS 44 -5.934 0.261 10.762 468 HE3 LYS 44 HE2 LYS 44 -6.224 1.072 9.224 469 HZ1 LYS 44 HZ1 LYS 44 -8.274 -0.313 10.862 470 HZ2 LYS 44 HZ2 LYS 44 -8.559 0.462 9.382 471 HZ3 LYS 44 HZ3 LYS 44 -8.080 1.363 10.738 472 H PHE 45 H PHE 45 -1.484 -4.649 7.734 473 HA PHE 45 HA PHE 45 -2.761 -6.321 5.667 474 HB2 PHE 45 HB3 PHE 45 0.083 -6.268 6.677 475 HB3 PHE 45 HB2 PHE 45 -0.549 -7.566 5.678 476 HD1 PHE 45 HD1 PHE 45 0.430 -4.033 5.769 477 HD2 PHE 45 HD2 PHE 45 -0.972 -7.243 3.336 478 HE1 PHE 45 HE1 PHE 45 0.961 -2.738 3.750 479 HE2 PHE 45 HE2 PHE 45 -0.440 -5.944 1.317 480 HZ PHE 45 HZ PHE 45 0.574 -3.715 1.520 481 H ARG 46 H ARG 46 -3.659 -8.204 6.240 482 HA ARG 46 HA ARG 46 -2.813 -9.590 8.635 483 HB2 ARG 46 HB3 ARG 46 -4.982 -9.525 9.731 484 HB3 ARG 46 HB2 ARG 46 -4.390 -7.885 9.498 485 HG2 ARG 46 HG3 ARG 46 -5.822 -7.719 7.472 486 HG3 ARG 46 HG2 ARG 46 -6.489 -9.301 7.876 487 HD2 ARG 46 HD3 ARG 46 -7.996 -7.658 8.698 488 HD3 ARG 46 HD2 ARG 46 -7.168 -8.357 10.084 489 HE ARG 46 HE ARG 46 -6.439 -5.753 8.907 490 HH11 ARG 46 HH11 ARG 46 -6.952 -7.834 11.668 491 HH12 ARG 46 HH12 ARG 46 -6.563 -6.608 12.827 492 HH21 ARG 46 HH21 ARG 46 -5.930 -4.126 10.436 493 HH22 ARG 46 HH22 ARG 46 -5.977 -4.497 12.127 494 H ASN 47 H ASN 47 -4.139 -11.593 8.928 495 HA ASN 47 HA ASN 47 -4.680 -13.003 6.518 496 HB2 ASN 47 HB3 ASN 47 -5.315 -13.519 9.412 497 HB3 ASN 47 HB2 ASN 47 -5.992 -14.553 8.159 498 HD21 ASN 47 HD21 ASN 47 -3.064 -13.494 9.733 499 HD22 ASN 47 HD22 ASN 47 -2.059 -14.777 9.151 500 H ALA 48 H ALA 48 -6.818 -13.676 5.684 501 HA ALA 48 HA ALA 48 -8.516 -11.522 5.307 502 HB1 ALA 48 HB1 ALA 48 -9.192 -14.447 5.059 503 HB2 ALA 48 HB2 ALA 48 -8.372 -13.482 3.831 504 HB3 ALA 48 HB3 ALA 48 -10.037 -13.106 4.285 505 H ALA 49 H ALA 49 -10.345 -10.829 6.175 506 HA ALA 49 HA ALA 49 -10.402 -10.940 8.965 507 HB1 ALA 49 HB1 ALA 49 -12.525 -9.850 7.144 508 HB2 ALA 49 HB2 ALA 49 -11.033 -9.012 7.560 509 HB3 ALA 49 HB3 ALA 49 -12.214 -9.386 8.818 510 H SER 50 H SER 50 -12.563 -12.433 6.560 511 HA SER 50 HA SER 50 -14.271 -13.526 8.595 512 HB2 SER 50 HB3 SER 50 -15.115 -12.815 6.380 513 HB3 SER 50 HB2 SER 50 -14.137 -14.060 5.615 514 HG SER 50 HG SER 50 -16.218 -14.513 7.498 515 H GLY 51 H GLY 51 -11.284 -14.246 8.249 516 HA2 GLY 51 HA3 GLY 51 -10.025 -16.094 8.759 517 HA3 GLY 51 HA2 GLY 51 -11.524 -16.918 9.154 518 H LYS 52 H LYS 52 -10.730 -15.547 6.021 519 HA LYS 52 HA LYS 52 -11.130 -18.110 4.762 520 HB2 LYS 52 HB3 LYS 52 -10.320 -15.454 3.559 521 HB3 LYS 52 HB2 LYS 52 -10.795 -16.884 2.656 522 HG2 LYS 52 HG3 LYS 52 -13.031 -16.763 3.619 523 HG3 LYS 52 HG2 LYS 52 -12.558 -15.340 4.549 524 HD2 LYS 52 HD3 LYS 52 -12.123 -14.125 2.472 525 HD3 LYS 52 HD2 LYS 52 -12.575 -15.552 1.539 526 HE2 LYS 52 HE3 LYS 52 -14.836 -15.440 2.463 527 HE3 LYS 52 HE2 LYS 52 -14.386 -14.021 3.407 528 HZ1 LYS 52 HZ1 LYS 52 -15.553 -13.408 1.385 529 HZ2 LYS 52 HZ2 LYS 52 -14.394 -14.194 0.443 530 HZ3 LYS 52 HZ3 LYS 52 -13.963 -12.827 1.342 531 HA PRO 53 HA PRO 53 -6.807 -19.117 5.161 532 HB2 PRO 53 HB3 PRO 53 -6.864 -21.463 3.827 533 HB3 PRO 53 HB2 PRO 53 -7.525 -21.286 5.458 534 HG2 PRO 53 HG3 PRO 53 -8.944 -21.254 2.824 535 HG3 PRO 53 HG2 PRO 53 -9.386 -22.103 4.318 536 HD2 PRO 53 HD3 PRO 53 -10.535 -19.768 3.589 537 HD3 PRO 53 HD2 PRO 53 -10.258 -20.197 5.289 538 H ASP 54 H ASP 54 -5.057 -18.723 3.987 539 HA ASP 54 HA ASP 54 -3.617 -18.423 2.247 540 HB2 ASP 54 HB3 ASP 54 -5.958 -19.226 0.504 541 HB3 ASP 54 HB2 ASP 54 -4.406 -18.712 -0.144 542 H ARG 55 H ARG 55 -6.873 -17.240 1.558 543 HA ARG 55 HA ARG 55 -6.211 -14.744 0.558 544 HB2 ARG 55 HB3 ARG 55 -8.602 -15.645 2.161 545 HB3 ARG 55 HB2 ARG 55 -8.487 -14.058 1.410 546 HG2 ARG 55 HG3 ARG 55 -8.221 -16.622 -0.130 547 HG3 ARG 55 HG2 ARG 55 -9.758 -15.788 0.112 548 HD2 ARG 55 HD3 ARG 55 -9.084 -13.936 -1.131 549 HD3 ARG 55 HD2 ARG 55 -7.377 -14.348 -0.996 550 HE ARG 55 HE ARG 55 -8.254 -16.410 -2.407 551 HH11 ARG 55 HH11 ARG 55 -9.112 -13.031 -2.743 552 HH12 ARG 55 HH12 ARG 55 -9.220 -13.098 -4.474 553 HH21 ARG 55 HH21 ARG 55 -8.358 -16.495 -4.685 554 HH22 ARG 55 HH22 ARG 55 -8.750 -15.062 -5.593 555 H TYR 56 H TYR 56 -5.590 -12.870 1.367 556 HA TYR 56 HA TYR 56 -5.554 -12.537 4.290 557 HB2 TYR 56 HB3 TYR 56 -3.515 -11.769 2.215 558 HB3 TYR 56 HB2 TYR 56 -3.616 -10.900 3.742 559 HD1 TYR 56 HD1 TYR 56 -2.959 -14.187 2.208 560 HD2 TYR 56 HD2 TYR 56 -2.759 -11.865 5.764 561 HE1 TYR 56 HE1 TYR 56 -1.570 -15.919 3.253 562 HE2 TYR 56 HE2 TYR 56 -1.364 -13.592 6.818 563 HH TYR 56 HH TYR 56 -1.026 -16.135 6.495 564 H ASP 57 H ASP 57 -5.531 -10.167 4.897 565 HA ASP 57 HA ASP 57 -7.394 -8.709 3.140 566 HB2 ASP 57 HB3 ASP 57 -8.555 -9.596 5.104 567 HB3 ASP 57 HB2 ASP 57 -7.373 -8.843 6.164 568 H MET 58 H MET 58 -7.070 -6.535 2.886 569 HA MET 58 HA MET 58 -4.819 -5.297 4.300 570 HB2 MET 58 HB3 MET 58 -3.725 -6.012 2.332 571 HB3 MET 58 HB2 MET 58 -5.101 -5.607 1.319 572 HG2 MET 58 HG3 MET 58 -3.227 -4.071 1.009 573 HG3 MET 58 HG2 MET 58 -4.670 -3.255 1.604 574 HE1 MET 58 HE1 MET 58 -1.771 -2.007 1.593 575 HE2 MET 58 HE2 MET 58 -1.723 -1.243 3.183 576 HE3 MET 58 HE3 MET 58 -3.192 -1.144 2.201 577 H GLU 59 H GLU 59 -5.150 -3.191 4.779 578 HA GLU 59 HA GLU 59 -7.387 -1.834 3.463 579 HB2 GLU 59 HB3 GLU 59 -8.169 -2.768 5.623 580 HB3 GLU 59 HB2 GLU 59 -6.915 -1.861 6.447 581 HG2 GLU 59 HG3 GLU 59 -7.934 0.225 5.787 582 HG3 GLU 59 HG2 GLU 59 -9.150 -0.640 4.848 583 H ASN 60 H ASN 60 -7.110 0.276 3.069 584 HA ASN 60 HA ASN 60 -4.526 1.445 3.889 585 HB2 ASN 60 HB3 ASN 60 -6.013 2.152 1.350 586 HB3 ASN 60 HB2 ASN 60 -4.377 2.601 1.791 587 HD21 ASN 60 HD21 ASN 60 -3.598 1.805 -0.154 588 HD22 ASN 60 HD22 ASN 60 -3.432 0.115 -0.467 589 H LEU 61 H LEU 61 -5.385 2.517 5.670 590 HA LEU 61 HA LEU 61 -7.743 4.186 5.315 591 HB2 LEU 61 HB3 LEU 61 -7.576 2.828 7.327 592 HB3 LEU 61 HB2 LEU 61 -6.034 3.559 7.719 593 HG LEU 61 HG LEU 61 -7.201 5.749 7.976 594 HD11 LEU 61 HD11 LEU 61 -9.159 5.319 6.616 595 HD12 LEU 61 HD12 LEU 61 -9.640 5.716 8.266 596 HD13 LEU 61 HD13 LEU 61 -9.670 4.040 7.717 597 HD21 LEU 61 HD21 LEU 61 -8.154 5.210 10.157 598 HD22 LEU 61 HD22 LEU 61 -6.630 4.363 9.896 599 HD23 LEU 61 HD23 LEU 61 -8.159 3.498 9.738 600 H THR 62 H THR 62 -7.716 6.409 5.334 601 HA THR 62 HA THR 62 -5.186 7.755 5.856 602 HB THR 62 HB THR 62 -5.371 9.185 3.904 603 HG1 THR 62 HG1 THR 62 -7.069 8.167 2.307 604 HG21 THR 62 HG21 THR 62 -5.661 6.322 3.007 605 HG22 THR 62 HG22 THR 62 -4.179 7.021 3.657 606 HG23 THR 62 HG23 THR 62 -4.851 7.629 2.146 607 H THR 63 H THR 63 -6.059 10.325 5.212 608 HA THR 63 HA THR 63 -8.001 10.747 7.342 609 HB THR 63 HB THR 63 -7.312 13.095 7.223 610 HG1 THR 63 HG1 THR 63 -5.806 13.756 5.699 611 HG21 THR 63 HG21 THR 63 -5.979 11.658 8.616 612 HG22 THR 63 HG22 THR 63 -4.897 12.770 7.771 613 HG23 THR 63 HG23 THR 63 -5.054 11.099 7.222 614 H LYS 64 H LYS 64 -7.646 11.016 3.902 615 HA LYS 64 HA LYS 64 -10.155 12.534 3.710 616 HB2 LYS 64 HB3 LYS 64 -7.759 12.358 1.903 617 HB3 LYS 64 HB2 LYS 64 -9.287 13.017 1.343 618 HG2 LYS 64 HG3 LYS 64 -7.694 14.062 3.676 619 HG3 LYS 64 HG2 LYS 64 -7.702 14.751 2.052 620 HD2 LYS 64 HD3 LYS 64 -10.144 15.106 2.266 621 HD3 LYS 64 HD2 LYS 64 -10.050 14.531 3.930 622 HE2 LYS 64 HE3 LYS 64 -8.482 16.355 4.447 623 HE3 LYS 64 HE2 LYS 64 -8.640 16.943 2.792 624 HZ1 LYS 64 HZ1 LYS 64 -11.034 17.236 3.215 625 HZ2 LYS 64 HZ2 LYS 64 -10.079 18.191 4.227 626 HZ3 LYS 64 HZ3 LYS 64 -10.799 16.785 4.826 627 H LYS 65 H LYS 65 -8.870 9.453 3.250 628 HA LYS 65 HA LYS 65 -11.186 8.706 1.639 629 HB2 LYS 65 HB3 LYS 65 -8.862 9.116 0.355 630 HB3 LYS 65 HB2 LYS 65 -8.640 7.440 0.839 631 HG2 LYS 65 HG3 LYS 65 -9.584 7.475 -1.351 632 HG3 LYS 65 HG2 LYS 65 -10.822 6.903 -0.232 633 HD2 LYS 65 HD3 LYS 65 -11.708 9.244 -0.158 634 HD3 LYS 65 HD2 LYS 65 -10.565 9.656 -1.434 635 HE2 LYS 65 HE3 LYS 65 -12.647 9.219 -2.485 636 HE3 LYS 65 HE2 LYS 65 -11.601 7.841 -2.818 637 HZ1 LYS 65 HZ1 LYS 65 -12.717 6.591 -1.111 638 HZ2 LYS 65 HZ2 LYS 65 -13.862 7.191 -2.196 639 HZ3 LYS 65 HZ3 LYS 65 -13.665 7.923 -0.687 640 H ASP 66 H ASP 66 -9.840 6.085 1.243 641 HA ASP 66 HA ASP 66 -9.548 4.540 3.417 642 HB2 ASP 66 HB3 ASP 66 -11.535 5.600 4.433 643 HB3 ASP 66 HB2 ASP 66 -12.514 5.049 3.079 644 H THR 67 H THR 67 -9.152 2.599 2.589 645 HA THR 67 HA THR 67 -10.952 1.498 0.558 646 HB THR 67 HB THR 67 -8.982 0.502 -0.639 647 HG1 THR 67 HG1 THR 67 -7.679 1.969 1.303 648 HG21 THR 67 HG21 THR 67 -10.098 2.400 -1.632 649 HG22 THR 67 HG22 THR 67 -8.351 2.547 -1.864 650 HG23 THR 67 HG23 THR 67 -9.163 3.508 -0.627 651 H HIS 68 H HIS 68 -11.035 -0.805 0.587 652 HA HIS 68 HA HIS 68 -9.494 -2.115 2.685 653 HB2 HIS 68 HB3 HIS 68 -11.713 -1.317 3.641 654 HB3 HIS 68 HB2 HIS 68 -12.495 -2.447 2.542 655 HD1 HIS 68 HD1 HIS 68 -13.043 -2.968 5.404 656 HD2 HIS 68 HD2 HIS 68 -9.668 -4.482 3.517 657 HE1 HIS 68 HE1 HIS 68 -12.322 -4.941 6.784 658 HE2 HIS 68 HE2 HIS 68 -10.370 -5.935 5.527 659 H HIS 69 H HIS 69 -8.415 -3.383 1.298 660 HA HIS 69 HA HIS 69 -9.686 -4.760 -0.885 661 HB2 HIS 69 HB3 HIS 69 -6.935 -5.184 0.304 662 HB3 HIS 69 HB2 HIS 69 -7.499 -5.786 -1.249 663 HD1 HIS 69 HD1 HIS 69 -8.771 -3.158 -2.344 664 HD2 HIS 69 HD2 HIS 69 -5.049 -3.409 -0.493 665 HE1 HIS 69 HE1 HIS 69 -7.440 -1.204 -3.209 666 HE2 HIS 69 HE2 HIS 69 -5.120 -1.526 -2.263 667 H LYS 70 H LYS 70 -11.310 -5.923 0.164 668 HA LYS 70 HA LYS 70 -10.855 -7.608 2.389 669 HB2 LYS 70 HB3 LYS 70 -13.163 -7.886 0.500 670 HB3 LYS 70 HB2 LYS 70 -13.132 -8.065 2.254 671 HG2 LYS 70 HG3 LYS 70 -12.535 -5.599 2.331 672 HG3 LYS 70 HG2 LYS 70 -13.026 -5.550 0.640 673 HD2 LYS 70 HD3 LYS 70 -15.236 -6.194 1.181 674 HD3 LYS 70 HD2 LYS 70 -14.767 -6.587 2.834 675 HE2 LYS 70 HE3 LYS 70 -15.808 -4.487 2.989 676 HE3 LYS 70 HE2 LYS 70 -14.069 -4.185 3.067 677 HZ1 LYS 70 HZ1 LYS 70 -15.164 -2.604 1.606 678 HZ2 LYS 70 HZ2 LYS 70 -15.777 -3.859 0.657 679 HZ3 LYS 70 HZ3 LYS 70 -14.110 -3.587 0.717 680 H ASP 71 H ASP 71 -9.713 -9.386 2.337 681 HA ASP 71 HA ASP 71 -8.854 -11.371 1.821 682 HB2 ASP 71 HB3 ASP 71 -10.414 -13.154 1.186 683 HB3 ASP 71 HB2 ASP 71 -11.009 -12.158 2.498 684 H TRP 72 H TRP 72 -7.372 -10.618 0.410 685 HA TRP 72 HA TRP 72 -7.818 -11.388 -2.403 686 HB2 TRP 72 HB3 TRP 72 -5.839 -9.903 -2.866 687 HB3 TRP 72 HB2 TRP 72 -7.257 -9.043 -2.266 688 HD1 TRP 72 HD1 TRP 72 -7.084 -7.896 0.106 689 HE1 TRP 72 HE1 TRP 72 -5.110 -7.394 1.672 690 HE3 TRP 72 HE3 TRP 72 -3.502 -10.828 -2.081 691 HZ2 TRP 72 HZ2 TRP 72 -2.404 -8.135 1.924 692 HZ3 TRP 72 HZ3 TRP 72 -1.259 -10.833 -1.068 693 HH2 TRP 72 HH2 TRP 72 -0.729 -9.526 0.873 694 H ALA 73 H ALA 73 -5.960 -12.433 -3.454 695 HA ALA 73 HA ALA 73 -4.017 -13.567 -1.551 696 HB1 ALA 73 HB1 ALA 73 -3.956 -15.575 -2.957 697 HB2 ALA 73 HB2 ALA 73 -5.195 -14.880 -4.003 698 HB3 ALA 73 HB3 ALA 73 -5.579 -15.286 -2.328 699 H LEU 74 H LEU 74 -1.856 -13.671 -2.322 700 HA LEU 74 HA LEU 74 -1.146 -11.885 -4.362 701 HB2 LEU 74 HB3 LEU 74 1.105 -13.219 -4.304 702 HB3 LEU 74 HB2 LEU 74 0.656 -12.137 -3.009 703 HG LEU 74 HG LEU 74 1.716 -14.385 -2.404 704 HD11 LEU 74 HD11 LEU 74 0.699 -12.924 -0.754 705 HD12 LEU 74 HD12 LEU 74 0.357 -14.615 -0.392 706 HD13 LEU 74 HD13 LEU 74 -0.889 -13.598 -1.109 707 HD21 LEU 74 HD21 LEU 74 0.345 -15.751 -3.907 708 HD22 LEU 74 HD22 LEU 74 -1.079 -15.352 -2.949 709 HD23 LEU 74 HD23 LEU 74 0.235 -16.285 -2.228 710 H GLY 75 H GLY 75 -0.334 -12.237 -6.400 711 HA2 GLY 75 HA3 GLY 75 -0.345 -13.210 -8.509 712 HA3 GLY 75 HA2 GLY 75 -0.872 -14.718 -7.775 713 H GLU 76 H GLU 76 -2.941 -12.616 -6.499 714 HA GLU 76 HA GLU 76 -4.976 -13.311 -8.479 715 HB2 GLU 76 HB3 GLU 76 -5.436 -14.105 -6.254 716 HB3 GLU 76 HB2 GLU 76 -5.158 -12.513 -5.574 717 HG2 GLU 76 HG3 GLU 76 -7.491 -12.911 -5.580 718 HG3 GLU 76 HG2 GLU 76 -7.153 -11.702 -6.814 719 H GLU 77 H GLU 77 -6.504 -11.826 -9.157 720 HA GLU 77 HA GLU 77 -5.838 -8.976 -8.802 721 HB2 GLU 77 HB3 GLU 77 -4.957 -9.567 -10.972 722 HB3 GLU 77 HB2 GLU 77 -6.441 -10.403 -11.407 723 HG2 GLU 77 HG3 GLU 77 -7.655 -8.319 -11.441 724 HG3 GLU 77 HG2 GLU 77 -6.227 -7.448 -10.883 725 H PHE 78 H PHE 78 -7.560 -7.882 -8.140 726 HA PHE 78 HA PHE 78 -10.247 -8.946 -8.687 727 HB2 PHE 78 HB3 PHE 78 -10.888 -8.410 -6.352 728 HB3 PHE 78 HB2 PHE 78 -9.647 -9.655 -6.430 729 HD1 PHE 78 HD1 PHE 78 -7.362 -9.178 -5.722 730 HD2 PHE 78 HD2 PHE 78 -10.441 -6.258 -5.405 731 HE1 PHE 78 HE1 PHE 78 -5.952 -7.867 -4.193 732 HE2 PHE 78 HE2 PHE 78 -9.039 -4.938 -3.878 733 HZ PHE 78 HZ PHE 78 -6.784 -5.749 -3.269 734 H GLN 79 H GLN 79 -11.939 -7.326 -8.530 735 HA GLN 79 HA GLN 79 -10.922 -4.669 -9.175 736 HB2 GLN 79 HB3 GLN 79 -12.675 -5.775 -10.607 737 HB3 GLN 79 HB2 GLN 79 -13.787 -5.625 -9.254 738 HG2 GLN 79 HG3 GLN 79 -13.647 -3.229 -9.333 739 HG3 GLN 79 HG2 GLN 79 -12.396 -3.306 -10.571 740 HE21 GLN 79 HE21 GLN 79 -13.750 -5.524 -11.954 741 HE22 GLN 79 HE22 GLN 79 -15.075 -4.798 -12.793 742 H ASP 80 H ASP 80 -11.505 -2.826 -8.022 743 HA ASP 80 HA ASP 80 -12.968 -2.956 -5.565 744 HB2 ASP 80 HB3 ASP 80 -10.719 -4.160 -5.114 745 HB3 ASP 80 HB2 ASP 80 -9.993 -2.562 -5.250 746 H GLU 81 H GLU 81 -12.743 -0.839 -4.367 747 HA GLU 81 HA GLU 81 -12.334 1.281 -6.355 748 HB2 GLU 81 HB3 GLU 81 -14.597 1.088 -5.233 749 HB3 GLU 81 HB2 GLU 81 -13.803 1.543 -3.729 750 HG2 GLU 81 HG3 GLU 81 -13.071 3.644 -4.777 751 HG3 GLU 81 HG2 GLU 81 -13.929 3.191 -6.246 752 H ALA 82 H ALA 82 -10.574 2.305 -6.251 753 HA ALA 82 HA ALA 82 -8.810 1.987 -3.996 754 HB1 ALA 82 HB1 ALA 82 -8.019 1.754 -6.300 755 HB2 ALA 82 HB2 ALA 82 -7.132 2.991 -5.407 756 HB3 ALA 82 HB3 ALA 82 -8.367 3.460 -6.578 757 H LEU 83 H LEU 83 -7.415 3.957 -3.442 758 HA LEU 83 HA LEU 83 -9.012 5.819 -2.087 759 HB2 LEU 83 HB3 LEU 83 -6.063 5.892 -2.748 760 HB3 LEU 83 HB2 LEU 83 -6.854 6.923 -1.570 761 HG LEU 83 HG LEU 83 -7.047 3.951 -1.273 762 HD11 LEU 83 HD11 LEU 83 -5.017 3.934 0.048 763 HD12 LEU 83 HD12 LEU 83 -4.733 5.631 -0.336 764 HD13 LEU 83 HD13 LEU 83 -4.668 4.415 -1.611 765 HD21 LEU 83 HD21 LEU 83 -8.395 5.410 0.152 766 HD22 LEU 83 HD22 LEU 83 -6.931 6.231 0.693 767 HD23 LEU 83 HD23 LEU 83 -7.184 4.530 1.084 768 H ASP 84 H ASP 84 -7.890 5.713 -5.273 769 HA ASP 84 HA ASP 84 -7.870 8.522 -5.798 770 HB2 ASP 84 HB3 ASP 84 -7.744 7.792 -8.196 771 HB3 ASP 84 HB2 ASP 84 -6.466 7.179 -7.157 772 H SER 85 H SER 85 -10.353 6.733 -4.960 773 HA SER 85 HA SER 85 -12.570 7.172 -4.917 774 HB2 SER 85 HB3 SER 85 -12.049 9.401 -6.890 775 HB3 SER 85 HB2 SER 85 -13.473 9.198 -5.870 776 HG SER 85 HG SER 85 -10.910 10.085 -5.220 777 H THR 86 H THR 86 -10.946 5.953 -7.460 778 HA THR 86 HA THR 86 -13.464 5.350 -8.871 779 HB THR 86 HB THR 86 -11.960 4.758 -10.845 780 HG1 THR 86 HG1 THR 86 -10.069 5.505 -9.075 781 HG21 THR 86 HG21 THR 86 -11.836 7.091 -11.615 782 HG22 THR 86 HG22 THR 86 -12.166 7.635 -9.969 783 HG23 THR 86 HG23 THR 86 -13.383 6.715 -10.854 784 H GLN 87 H GLN 87 -13.516 3.153 -9.877 785 HA GLN 87 HA GLN 87 -11.996 1.306 -8.182 786 HB2 GLN 87 HB3 GLN 87 -13.869 -0.318 -8.548 787 HB3 GLN 87 HB2 GLN 87 -14.243 1.053 -7.514 788 HG2 GLN 87 HG3 GLN 87 -15.394 2.130 -9.389 789 HG3 GLN 87 HG2 GLN 87 -15.030 0.730 -10.399 790 HE21 GLN 87 HE21 GLN 87 -15.803 0.490 -7.017 791 HE22 GLN 87 HE22 GLN 87 -17.335 -0.271 -7.213 792 H HIS 88 H HIS 88 -10.855 -0.197 -9.081 793 HA HIS 88 HA HIS 88 -11.118 -0.801 -11.886 794 HB2 HIS 88 HB3 HIS 88 -8.589 -0.252 -12.155 795 HB3 HIS 88 HB2 HIS 88 -9.773 1.041 -12.281 796 HD1 HIS 88 HD1 HIS 88 -7.548 -0.458 -9.572 797 HD2 HIS 88 HD2 HIS 88 -9.142 3.189 -10.782 798 HE1 HIS 88 HE1 HIS 88 -6.618 1.255 -7.980 799 HE2 HIS 88 HE2 HIS 88 -7.545 3.475 -8.762 800 H LYS 89 H LYS 89 -9.102 -2.302 -12.491 801 HA LYS 89 HA LYS 89 -9.364 -4.431 -10.575 802 HB2 LYS 89 HB3 LYS 89 -8.354 -5.864 -12.196 803 HB3 LYS 89 HB2 LYS 89 -9.503 -4.833 -13.029 804 HG2 LYS 89 HG3 LYS 89 -7.525 -3.385 -13.669 805 HG3 LYS 89 HG2 LYS 89 -6.508 -4.709 -13.091 806 HD2 LYS 89 HD3 LYS 89 -7.790 -6.230 -14.632 807 HD3 LYS 89 HD2 LYS 89 -8.548 -4.789 -15.310 808 HE2 LYS 89 HE3 LYS 89 -6.798 -5.153 -16.771 809 HE3 LYS 89 HE2 LYS 89 -6.108 -3.981 -15.652 810 HZ1 LYS 89 HZ1 LYS 89 -5.250 -6.038 -14.414 811 HZ2 LYS 89 HZ2 LYS 89 -4.478 -5.597 -15.856 812 HZ3 LYS 89 HZ3 LYS 89 -5.580 -6.875 -15.848 813 H ILE 90 H ILE 90 -7.787 -5.377 -9.410 814 HA ILE 90 HA ILE 90 -5.273 -3.898 -9.131 815 HB ILE 90 HB ILE 90 -7.280 -4.471 -6.953 816 HG12 ILE 90 HG13 ILE 90 -5.909 -1.923 -7.839 817 HG13 ILE 90 HG12 ILE 90 -7.567 -2.374 -8.216 818 HG21 ILE 90 HG21 ILE 90 -4.415 -3.601 -6.623 819 HG22 ILE 90 HG22 ILE 90 -5.087 -5.172 -6.176 820 HG23 ILE 90 HG23 ILE 90 -5.618 -3.710 -5.336 821 HD11 ILE 90 HD11 ILE 90 -6.457 -1.820 -5.478 822 HD12 ILE 90 HD12 ILE 90 -8.114 -2.301 -5.837 823 HD13 ILE 90 HD13 ILE 90 -7.496 -0.757 -6.426 824 H THR 91 H THR 91 -3.608 -5.222 -9.016 825 HA THR 91 HA THR 91 -4.108 -8.037 -8.334 826 HB THR 91 HB THR 91 -1.727 -6.958 -9.824 827 HG1 THR 91 HG1 THR 91 -4.302 -7.432 -10.699 828 HG21 THR 91 HG21 THR 91 -2.902 -9.726 -9.615 829 HG22 THR 91 HG22 THR 91 -1.424 -9.164 -8.833 830 HG23 THR 91 HG23 THR 91 -1.503 -9.279 -10.591 831 H PHE 92 H PHE 92 -3.161 -8.867 -6.609 832 HA PHE 92 HA PHE 92 -0.959 -7.383 -5.327 833 HB2 PHE 92 HB3 PHE 92 -3.156 -9.072 -4.230 834 HB3 PHE 92 HB2 PHE 92 -1.585 -9.184 -3.442 835 HD1 PHE 92 HD1 PHE 92 -4.301 -6.864 -4.371 836 HD2 PHE 92 HD2 PHE 92 -0.832 -7.489 -1.989 837 HE1 PHE 92 HE1 PHE 92 -4.806 -4.812 -3.108 838 HE2 PHE 92 HE2 PHE 92 -1.330 -5.438 -0.725 839 HZ PHE 92 HZ PHE 92 -3.314 -4.134 -1.229 840 H ASP 93 H ASP 93 1.000 -8.421 -5.128 841 HA ASP 93 HA ASP 93 1.183 -11.247 -5.688 842 HB2 ASP 93 HB3 ASP 93 1.042 -10.265 -7.951 843 HB3 ASP 93 HB2 ASP 93 2.436 -9.253 -7.587 844 H LEU 94 H LEU 94 3.024 -12.143 -4.921 845 HA LEU 94 HA LEU 94 4.818 -10.422 -3.413 846 HB2 LEU 94 HB3 LEU 94 4.065 -13.247 -3.377 847 HB3 LEU 94 HB2 LEU 94 5.793 -13.008 -3.229 848 HG LEU 94 HG LEU 94 4.654 -13.193 -1.044 849 HD11 LEU 94 HD11 LEU 94 6.749 -11.958 -1.224 850 HD12 LEU 94 HD12 LEU 94 5.692 -11.245 -0.009 851 HD13 LEU 94 HD13 LEU 94 5.857 -10.483 -1.589 852 HD21 LEU 94 HD21 LEU 94 2.525 -12.200 -1.567 853 HD22 LEU 94 HD22 LEU 94 3.294 -10.654 -1.927 854 HD23 LEU 94 HD23 LEU 94 3.290 -11.273 -0.273 855 H LYS 95 H LYS 95 6.595 -9.625 -4.311 856 HA LYS 95 HA LYS 95 7.410 -10.569 -6.933 857 HB2 LYS 95 HB3 LYS 95 7.319 -8.138 -6.430 858 HB3 LYS 95 HB2 LYS 95 8.545 -8.359 -5.191 859 HG2 LYS 95 HG3 LYS 95 10.162 -9.027 -6.871 860 HG3 LYS 95 HG2 LYS 95 8.934 -8.900 -8.130 861 HD2 LYS 95 HD3 LYS 95 10.299 -6.919 -8.172 862 HD3 LYS 95 HD2 LYS 95 8.693 -6.491 -7.581 863 HE2 LYS 95 HE3 LYS 95 9.522 -6.546 -5.284 864 HE3 LYS 95 HE2 LYS 95 11.123 -6.991 -5.870 865 HZ1 LYS 95 HZ1 LYS 95 11.198 -4.871 -7.070 866 HZ2 LYS 95 HZ2 LYS 95 11.039 -4.653 -5.404 867 HZ3 LYS 95 HZ3 LYS 95 9.694 -4.437 -6.413 868 H ASP 96 H ASP 96 8.687 -10.243 -3.690 869 HA ASP 96 HA ASP 96 10.152 -12.707 -3.916 870 HB2 ASP 96 HB3 ASP 96 12.331 -11.799 -3.388 871 HB3 ASP 96 HB2 ASP 96 11.740 -10.950 -4.813 872 HA PRO 97 HA PRO 97 9.051 -13.085 0.294 873 HB2 PRO 97 HB3 PRO 97 11.860 -13.500 1.144 874 HB3 PRO 97 HB2 PRO 97 10.457 -14.559 1.321 875 HG2 PRO 97 HG3 PRO 97 12.344 -15.102 -0.473 876 HG3 PRO 97 HG2 PRO 97 10.630 -15.367 -0.847 877 HD2 PRO 97 HD3 PRO 97 12.426 -13.123 -1.687 878 HD3 PRO 97 HD2 PRO 97 11.209 -14.002 -2.633 879 H ASN 98 H ASN 98 10.878 -10.434 -0.545 880 HA ASN 98 HA ASN 98 10.448 -9.299 2.135 881 HB2 ASN 98 HB3 ASN 98 12.893 -9.776 1.655 882 HB3 ASN 98 HB2 ASN 98 12.801 -8.549 0.399 883 HD21 ASN 98 HD21 ASN 98 14.284 -7.211 1.418 884 HD22 ASN 98 HD22 ASN 98 13.903 -6.334 2.860 885 H THR 99 H THR 99 9.216 -9.234 -0.787 886 HA THR 99 HA THR 99 8.444 -6.454 -0.531 887 HB THR 99 HB THR 99 9.692 -7.390 -3.116 888 HG1 THR 99 HG1 THR 99 10.757 -6.295 -0.873 889 HG21 THR 99 HG21 THR 99 7.883 -5.804 -3.484 890 HG22 THR 99 HG22 THR 99 9.437 -5.023 -3.782 891 HG23 THR 99 HG23 THR 99 8.567 -4.713 -2.279 892 H LEU 100 H LEU 100 6.360 -6.520 -0.551 893 HA LEU 100 HA LEU 100 4.817 -8.285 -2.298 894 HB2 LEU 100 HB3 LEU 100 4.409 -7.191 0.208 895 HB3 LEU 100 HB2 LEU 100 3.437 -6.156 -0.813 896 HG LEU 100 HG LEU 100 3.143 -9.152 -0.590 897 HD11 LEU 100 HD11 LEU 100 1.431 -6.919 0.492 898 HD12 LEU 100 HD12 LEU 100 2.488 -7.961 1.443 899 HD13 LEU 100 HD13 LEU 100 1.093 -8.646 0.613 900 HD21 LEU 100 HD21 LEU 100 2.475 -8.347 -2.786 901 HD22 LEU 100 HD22 LEU 100 1.469 -7.103 -2.043 902 HD23 LEU 100 HD23 LEU 100 1.061 -8.807 -1.840 903 H THR 101 H THR 101 3.360 -7.368 -3.975 904 HA THR 101 HA THR 101 3.853 -4.524 -4.535 905 HB THR 101 HB THR 101 3.578 -5.128 -6.992 906 HG1 THR 101 HG1 THR 101 3.728 -7.677 -5.823 907 HG21 THR 101 HG21 THR 101 5.932 -5.675 -7.259 908 HG22 THR 101 HG22 THR 101 6.026 -6.167 -5.568 909 HG23 THR 101 HG23 THR 101 5.716 -4.481 -5.979 910 H GLU 102 H GLU 102 2.124 -3.315 -4.926 911 HA GLU 102 HA GLU 102 -0.468 -4.669 -5.345 912 HB2 GLU 102 HB3 GLU 102 -0.265 -3.462 -3.165 913 HB3 GLU 102 HB2 GLU 102 0.006 -1.968 -4.051 914 HG2 GLU 102 HG3 GLU 102 -2.219 -2.197 -5.072 915 HG3 GLU 102 HG2 GLU 102 -2.484 -3.660 -4.130 916 H THR 103 H THR 103 -0.942 -4.522 -7.466 917 HA THR 103 HA THR 103 -0.091 -2.108 -8.909 918 HB THR 103 HB THR 103 -0.817 -4.828 -10.018 919 HG1 THR 103 HG1 THR 103 1.758 -3.612 -9.812 920 HG21 THR 103 HG21 THR 103 0.413 -2.408 -11.348 921 HG22 THR 103 HG22 THR 103 -1.220 -3.020 -11.616 922 HG23 THR 103 HG23 THR 103 0.176 -3.984 -12.103 923 H HIS 104 H HIS 104 -1.592 -0.698 -9.446 924 HA HIS 104 HA HIS 104 -4.418 -1.525 -9.517 925 HB2 HIS 104 HB3 HIS 104 -3.363 1.309 -9.498 926 HB3 HIS 104 HB2 HIS 104 -4.996 0.765 -9.146 927 HD1 HIS 104 HD1 HIS 104 -2.924 2.499 -7.312 928 HD2 HIS 104 HD2 HIS 104 -4.108 -1.471 -6.820 929 HE1 HIS 104 HE1 HIS 104 -2.624 1.985 -4.869 930 HE2 HIS 104 HE2 HIS 104 -3.395 -0.396 -4.572 931 H ILE 105 H ILE 105 -5.176 -1.920 -11.542 932 HA ILE 105 HA ILE 105 -4.232 -0.125 -13.682 933 HB ILE 105 HB ILE 105 -5.199 -2.970 -13.975 934 HG12 ILE 105 HG13 ILE 105 -2.470 -1.706 -14.307 935 HG13 ILE 105 HG12 ILE 105 -2.948 -2.863 -13.068 936 HG21 ILE 105 HG21 ILE 105 -4.618 -2.701 -16.350 937 HG22 ILE 105 HG22 ILE 105 -4.248 -1.003 -16.060 938 HG23 ILE 105 HG23 ILE 105 -5.898 -1.589 -15.863 939 HD11 ILE 105 HD11 ILE 105 -3.259 -4.565 -14.756 940 HD12 ILE 105 HD12 ILE 105 -1.630 -3.893 -14.836 941 HD13 ILE 105 HD13 ILE 105 -2.847 -3.404 -16.017 942 H LYS 106 H LYS 106 -5.677 1.248 -14.330 943 HA LYS 106 HA LYS 106 -8.331 1.227 -13.444 944 HB2 LYS 106 HB3 LYS 106 -7.087 2.848 -15.663 945 HB3 LYS 106 HB2 LYS 106 -8.664 3.157 -14.948 946 HG2 LYS 106 HG3 LYS 106 -7.486 3.400 -12.734 947 HG3 LYS 106 HG2 LYS 106 -5.971 3.371 -13.633 948 HD2 LYS 106 HD3 LYS 106 -6.547 5.657 -13.260 949 HD3 LYS 106 HD2 LYS 106 -6.823 5.312 -14.969 950 HE2 LYS 106 HE3 LYS 106 -9.184 5.158 -14.626 951 HE3 LYS 106 HE2 LYS 106 -8.990 5.229 -12.875 952 HZ1 LYS 106 HZ1 LYS 106 -8.174 7.487 -13.088 953 HZ2 LYS 106 HZ2 LYS 106 -9.706 7.353 -13.788 954 HZ3 LYS 106 HZ3 LYS 106 -8.334 7.419 -14.771 955 H VAL 107 H VAL 107 -10.009 0.233 -14.097 956 HA VAL 107 HA VAL 107 -10.245 -1.528 -16.218 957 HB VAL 107 HB VAL 107 -12.370 -0.026 -14.686 958 HG11 VAL 107 HG11 VAL 107 -12.614 -2.462 -16.417 959 HG12 VAL 107 HG12 VAL 107 -13.248 -0.857 -16.772 960 HG13 VAL 107 HG13 VAL 107 -13.889 -1.778 -15.413 961 HG21 VAL 107 HG21 VAL 107 -11.544 -2.880 -14.309 962 HG22 VAL 107 HG22 VAL 107 -12.421 -1.820 -13.197 963 HG23 VAL 107 HG23 VAL 107 -10.702 -1.561 -13.502 964 H ASP 108 H ASP 108 -10.939 1.877 -15.969 965 HA ASP 108 HA ASP 108 -12.237 2.009 -18.546 966 HB2 ASP 108 HB3 ASP 108 -12.433 4.407 -18.114 967 HB3 ASP 108 HB2 ASP 108 -12.989 3.480 -16.728 968 H ASP 109 H ASP 109 -9.130 3.040 -17.140 969 HA ASP 109 HA ASP 109 -8.036 2.988 -19.864 970 HB2 ASP 109 HB3 ASP 109 -7.725 5.205 -17.852 971 HB3 ASP 109 HB2 ASP 109 -6.489 4.915 -19.070 972 HA PRO 110 HA PRO 110 -5.626 0.240 -17.186 973 HB2 PRO 110 HB3 PRO 110 -4.954 -1.464 -19.181 974 HB3 PRO 110 HB2 PRO 110 -6.502 -1.525 -18.339 975 HG2 PRO 110 HG3 PRO 110 -5.843 -0.324 -20.990 976 HG3 PRO 110 HG2 PRO 110 -7.244 -1.290 -20.506 977 HD2 PRO 110 HD3 PRO 110 -7.335 1.388 -20.712 978 HD3 PRO 110 HD2 PRO 110 -8.316 0.478 -19.553 979 H THR 111 H THR 111 -4.771 2.445 -19.504 980 HA THR 111 HA THR 111 -1.995 1.694 -19.763 981 HB THR 111 HB THR 111 -1.778 3.957 -20.831 982 HG1 THR 111 HG1 THR 111 -4.457 4.329 -21.150 983 HG21 THR 111 HG21 THR 111 -3.121 3.384 -22.820 984 HG22 THR 111 HG22 THR 111 -3.964 2.159 -21.873 985 HG23 THR 111 HG23 THR 111 -2.239 1.993 -22.188 986 H ASP 112 H ASP 112 -3.994 3.337 -17.557 987 HA ASP 112 HA ASP 112 -1.872 4.899 -16.343 988 HB2 ASP 112 HB3 ASP 112 -4.320 5.618 -16.594 989 HB3 ASP 112 HB2 ASP 112 -4.683 4.468 -15.315 990 H VAL 113 H VAL 113 -1.096 2.323 -16.297 991 HA VAL 113 HA VAL 113 -1.916 0.885 -14.024 992 HB VAL 113 HB VAL 113 -1.051 -0.374 -15.812 993 HG11 VAL 113 HG11 VAL 113 1.236 -0.065 -16.690 994 HG12 VAL 113 HG12 VAL 113 1.402 1.366 -15.671 995 HG13 VAL 113 HG13 VAL 113 0.199 1.335 -16.962 996 HG21 VAL 113 HG21 VAL 113 1.065 -0.223 -13.698 997 HG22 VAL 113 HG22 VAL 113 0.837 -1.553 -14.832 998 HG23 VAL 113 HG23 VAL 113 -0.403 -1.193 -13.631 999 H GLU 114 H GLU 114 -1.513 1.375 -12.037 1000 HA GLU 114 HA GLU 114 0.907 2.912 -11.334 1001 HB2 GLU 114 HB3 GLU 114 -1.092 4.199 -10.943 1002 HB3 GLU 114 HB2 GLU 114 -1.861 2.851 -10.122 1003 HG2 GLU 114 HG3 GLU 114 -0.133 3.038 -8.344 1004 HG3 GLU 114 HG2 GLU 114 0.449 4.504 -9.137 1005 H THR 115 H THR 115 2.220 2.100 -9.692 1006 HA THR 115 HA THR 115 1.262 -0.315 -8.329 1007 HB THR 115 HB THR 115 4.002 -0.103 -9.586 1008 HG1 THR 115 HG1 THR 115 2.191 -0.352 -11.085 1009 HG21 THR 115 HG21 THR 115 2.584 -2.425 -8.266 1010 HG22 THR 115 HG22 THR 115 3.932 -1.518 -7.582 1011 HG23 THR 115 HG23 THR 115 4.169 -2.487 -9.035 1012 H TYR 116 H TYR 116 1.589 -0.291 -6.252 1013 HA TYR 116 HA TYR 116 3.776 1.338 -5.109 1014 HB2 TYR 116 HB3 TYR 116 1.496 0.078 -3.561 1015 HB3 TYR 116 HB2 TYR 116 2.630 1.292 -2.997 1016 HD1 TYR 116 HD1 TYR 116 2.178 2.846 -5.824 1017 HD2 TYR 116 HD2 TYR 116 -0.296 1.490 -2.639 1018 HE1 TYR 116 HE1 TYR 116 0.540 4.601 -6.352 1019 HE2 TYR 116 HE2 TYR 116 -1.942 3.239 -3.161 1020 HH TYR 116 HH TYR 116 -1.927 4.964 -6.037 1021 H GLU 117 H GLU 117 5.152 0.133 -3.426 1022 HA GLU 117 HA GLU 117 4.905 -2.752 -3.748 1023 HB2 GLU 117 HB3 GLU 117 7.511 -1.210 -3.879 1024 HB3 GLU 117 HB2 GLU 117 7.326 -2.953 -3.994 1025 HG2 GLU 117 HG3 GLU 117 5.997 -2.589 -6.082 1026 HG3 GLU 117 HG2 GLU 117 6.428 -0.884 -5.985 1027 H TYR 118 H TYR 118 5.121 -3.798 -1.848 1028 HA TYR 118 HA TYR 118 5.690 -2.139 0.514 1029 HB2 TYR 118 HB3 TYR 118 4.143 -4.725 0.260 1030 HB3 TYR 118 HB2 TYR 118 4.452 -3.890 1.775 1031 HD1 TYR 118 HD1 TYR 118 3.355 -1.691 2.217 1032 HD2 TYR 118 HD2 TYR 118 2.450 -3.979 -1.240 1033 HE1 TYR 118 HE1 TYR 118 1.343 -0.365 1.878 1034 HE2 TYR 118 HE2 TYR 118 0.423 -2.649 -1.590 1035 HH TYR 118 HH TYR 118 -0.240 0.149 0.475 1036 H ARG 119 H ARG 119 7.876 -2.325 0.724 1037 HA ARG 119 HA ARG 119 8.959 -5.050 0.931 1038 HB2 ARG 119 HB3 ARG 119 11.144 -4.119 0.504 1039 HB3 ARG 119 HB2 ARG 119 10.036 -3.561 -0.738 1040 HG2 ARG 119 HG3 ARG 119 11.049 -1.593 -0.319 1041 HG3 ARG 119 HG2 ARG 119 9.844 -1.505 0.966 1042 HD2 ARG 119 HD3 ARG 119 12.100 -0.952 1.774 1043 HD3 ARG 119 HD2 ARG 119 11.444 -2.386 2.565 1044 HE ARG 119 HE ARG 119 12.904 -3.274 0.380 1045 HH11 ARG 119 HH11 ARG 119 13.558 -1.498 3.319 1046 HH12 ARG 119 HH12 ARG 119 15.166 -2.119 3.489 1047 HH21 ARG 119 HH21 ARG 119 15.020 -4.086 0.588 1048 HH22 ARG 119 HH22 ARG 119 16.007 -3.578 1.923 1049 H ARG 120 H ARG 120 10.372 -5.547 2.702 1050 HA ARG 120 HA ARG 120 9.517 -4.105 5.106 1051 HB2 ARG 120 HB3 ARG 120 9.049 -6.517 5.021 1052 HB3 ARG 120 HB2 ARG 120 10.761 -6.845 4.806 1053 HG2 ARG 120 HG3 ARG 120 10.225 -7.282 7.072 1054 HG3 ARG 120 HG2 ARG 120 11.161 -5.789 7.032 1055 HD2 ARG 120 HD3 ARG 120 9.096 -4.487 7.209 1056 HD3 ARG 120 HD2 ARG 120 8.156 -5.980 7.231 1057 HE ARG 120 HE ARG 120 10.145 -5.917 9.286 1058 HH11 ARG 120 HH11 ARG 120 6.943 -4.753 8.469 1059 HH12 ARG 120 HH12 ARG 120 6.423 -4.670 10.120 1060 HH21 ARG 120 HH21 ARG 120 9.452 -5.818 11.444 1061 HH22 ARG 120 HH22 ARG 120 7.848 -5.266 11.809 1062 H ASP 121 H ASP 121 10.891 -3.018 6.360 1063 HA ASP 121 HA ASP 121 13.775 -3.313 5.840 1064 HB2 ASP 121 HB3 ASP 121 12.966 -1.148 5.001 1065 HB3 ASP 121 HB2 ASP 121 12.287 -0.780 6.581 1066 H GLY 122 H GLY 122 13.628 -4.951 7.491 1067 HA2 GLY 122 HA3 GLY 122 14.058 -5.670 9.622 1068 HA3 GLY 122 HA2 GLY 122 14.428 -4.000 10.024 1069 H ASP 123 H ASP 123 12.895 -2.725 10.985 1070 HA ASP 123 HA ASP 123 10.602 -4.190 12.082 1071 HB2 ASP 123 HB3 ASP 123 12.258 -3.191 13.663 1072 HB3 ASP 123 HB2 ASP 123 11.841 -1.600 13.040 1073 H TYR 124 H TYR 124 11.356 -1.937 9.727 1074 HA TYR 124 HA TYR 124 8.773 -0.560 9.974 1075 HB2 TYR 124 HB3 TYR 124 11.271 0.154 8.436 1076 HB3 TYR 124 HB2 TYR 124 9.757 1.046 8.316 1077 HD1 TYR 124 HD1 TYR 124 12.756 0.507 10.219 1078 HD2 TYR 124 HD2 TYR 124 8.868 2.211 10.358 1079 HE1 TYR 124 HE1 TYR 124 13.434 1.860 12.161 1080 HE2 TYR 124 HE2 TYR 124 9.523 3.566 12.299 1081 HH TYR 124 HH TYR 124 12.714 3.998 13.250 1082 H LEU 125 H LEU 125 7.304 -0.504 8.309 1083 HA LEU 125 HA LEU 125 7.742 -2.341 6.074 1084 HB2 LEU 125 HB3 LEU 125 5.699 -2.600 7.437 1085 HB3 LEU 125 HB2 LEU 125 5.271 -0.935 7.134 1086 HG LEU 125 HG LEU 125 4.018 -2.795 5.872 1087 HD11 LEU 125 HD11 LEU 125 3.952 -0.329 5.401 1088 HD12 LEU 125 HD12 LEU 125 3.582 -1.384 4.039 1089 HD13 LEU 125 HD13 LEU 125 5.170 -0.617 4.156 1090 HD21 LEU 125 HD21 LEU 125 5.021 -3.490 3.764 1091 HD22 LEU 125 HD22 LEU 125 5.958 -4.063 5.144 1092 HD23 LEU 125 HD23 LEU 125 6.522 -2.679 4.206 1093 H VAL 126 H VAL 126 8.211 -1.467 4.079 1094 HA VAL 126 HA VAL 126 8.086 1.473 3.946 1095 HB VAL 126 HB VAL 126 10.263 -0.281 2.791 1096 HG11 VAL 126 HG11 VAL 126 9.998 2.729 2.822 1097 HG12 VAL 126 HG12 VAL 126 9.816 1.690 1.408 1098 HG13 VAL 126 HG13 VAL 126 11.380 1.818 2.212 1099 HG21 VAL 126 HG21 VAL 126 10.311 1.633 5.122 1100 HG22 VAL 126 HG22 VAL 126 11.720 0.821 4.440 1101 HG23 VAL 126 HG23 VAL 126 10.441 -0.122 5.207 1102 H MET 127 H MET 127 7.048 2.283 2.304 1103 HA MET 127 HA MET 127 6.196 0.485 0.157 1104 HB2 MET 127 HB3 MET 127 4.314 1.576 1.034 1105 HB3 MET 127 HB2 MET 127 5.157 3.115 1.177 1106 HG2 MET 127 HG3 MET 127 5.115 3.443 -1.179 1107 HG3 MET 127 HG2 MET 127 4.513 1.811 -1.453 1108 HE1 MET 127 HE1 MET 127 2.245 1.408 0.650 1109 HE2 MET 127 HE2 MET 127 2.181 1.013 -1.064 1110 HE3 MET 127 HE3 MET 127 0.875 1.940 -0.324 1111 H LYS 128 H LYS 128 6.701 0.822 -1.941 1112 HA LYS 128 HA LYS 128 8.319 3.189 -2.581 1113 HB2 LYS 128 HB3 LYS 128 9.728 1.142 -2.430 1114 HB3 LYS 128 HB2 LYS 128 8.731 0.398 -3.673 1115 HG2 LYS 128 HG3 LYS 128 9.397 2.162 -5.242 1116 HG3 LYS 128 HG2 LYS 128 10.435 2.856 -3.994 1117 HD2 LYS 128 HD3 LYS 128 11.708 0.764 -3.903 1118 HD3 LYS 128 HD2 LYS 128 10.676 0.086 -5.164 1119 HE2 LYS 128 HE3 LYS 128 11.403 1.887 -6.680 1120 HE3 LYS 128 HE2 LYS 128 12.479 2.489 -5.423 1121 HZ1 LYS 128 HZ1 LYS 128 12.623 -0.194 -6.677 1122 HZ2 LYS 128 HZ2 LYS 128 13.654 0.388 -5.470 1123 HZ3 LYS 128 HZ3 LYS 128 13.659 1.105 -7.000 1124 H MET 129 H MET 129 7.183 4.397 -3.914 1125 HA MET 129 HA MET 129 5.409 3.097 -5.890 1126 HB2 MET 129 HB3 MET 129 5.205 5.946 -4.900 1127 HB3 MET 129 HB2 MET 129 4.000 5.029 -5.794 1128 HG2 MET 129 HG3 MET 129 3.364 3.802 -3.951 1129 HG3 MET 129 HG2 MET 129 4.884 4.088 -3.111 1130 HE1 MET 129 HE1 MET 129 2.363 6.675 -4.839 1131 HE2 MET 129 HE2 MET 129 1.376 7.056 -3.425 1132 HE3 MET 129 HE3 MET 129 1.399 5.414 -4.069 1133 H SER 130 H SER 130 5.606 3.787 -8.077 1134 HA SER 130 HA SER 130 7.650 5.809 -8.598 1135 HB2 SER 130 HB3 SER 130 8.610 4.244 -10.372 1136 HB3 SER 130 HB2 SER 130 8.976 3.871 -8.691 1137 HG SER 130 HG SER 130 6.674 2.726 -9.748 1138 H TRP 131 H TRP 131 7.120 7.146 -10.126 1139 HA TRP 131 HA TRP 131 5.518 6.251 -12.405 1140 HB2 TRP 131 HB3 TRP 131 4.022 7.307 -10.610 1141 HB3 TRP 131 HB2 TRP 131 4.851 8.822 -10.972 1142 HD1 TRP 131 HD1 TRP 131 4.188 10.072 -13.186 1143 HE1 TRP 131 HE1 TRP 131 2.306 9.742 -14.908 1144 HE3 TRP 131 HE3 TRP 131 2.625 5.418 -11.781 1145 HZ2 TRP 131 HZ2 TRP 131 0.417 7.760 -15.584 1146 HZ3 TRP 131 HZ3 TRP 131 0.774 4.374 -13.019 1147 HH2 TRP 131 HH2 TRP 131 -0.308 5.521 -14.882 1148 H LYS 132 H LYS 132 6.401 6.929 -14.234 1149 HA LYS 132 HA LYS 132 7.933 7.821 -15.626 1150 HB2 LYS 132 HB3 LYS 132 6.702 10.134 -14.244 1151 HB3 LYS 132 HB2 LYS 132 8.160 10.460 -15.170 1152 HG2 LYS 132 HG3 LYS 132 6.185 10.861 -16.511 1153 HG3 LYS 132 HG2 LYS 132 7.108 9.510 -17.164 1154 HD2 LYS 132 HD3 LYS 132 5.564 7.940 -16.103 1155 HD3 LYS 132 HD2 LYS 132 4.647 9.289 -15.431 1156 HE2 LYS 132 HE3 LYS 132 4.113 10.059 -17.680 1157 HE3 LYS 132 HE2 LYS 132 5.064 8.745 -18.365 1158 HZ1 LYS 132 HZ1 LYS 132 2.760 8.154 -18.409 1159 HZ2 LYS 132 HZ2 LYS 132 2.586 8.483 -16.760 1160 HZ3 LYS 132 HZ3 LYS 132 3.537 7.179 -17.265 1161 H GLY 133 H GLY 133 9.144 6.566 -13.547 1162 HA2 GLY 133 HA3 GLY 133 11.378 6.312 -12.949 1163 HA3 GLY 133 HA2 GLY 133 11.685 7.956 -13.489 1164 H VAL 134 H VAL 134 9.381 8.905 -11.819 1165 HA VAL 134 HA VAL 134 10.964 9.598 -9.547 1166 HB VAL 134 HB VAL 134 7.986 10.010 -9.782 1167 HG11 VAL 134 HG11 VAL 134 10.123 11.544 -8.308 1168 HG12 VAL 134 HG12 VAL 134 8.985 10.408 -7.586 1169 HG13 VAL 134 HG13 VAL 134 8.396 11.906 -8.309 1170 HG21 VAL 134 HG21 VAL 134 8.522 12.222 -10.749 1171 HG22 VAL 134 HG22 VAL 134 8.951 10.876 -11.805 1172 HG23 VAL 134 HG23 VAL 134 10.205 11.717 -10.892 1173 H SER 135 H SER 135 11.423 8.015 -8.144 1174 HA SER 135 HA SER 135 9.272 6.296 -7.219 1175 HB2 SER 135 HB3 SER 135 12.191 6.070 -6.573 1176 HB3 SER 135 HB2 SER 135 10.957 4.841 -6.471 1177 HG SER 135 HG SER 135 11.684 6.047 -8.914 1178 H THR 136 H THR 136 8.698 6.235 -5.143 1179 HA THR 136 HA THR 136 9.951 8.136 -3.293 1180 HB THR 136 HB THR 136 7.958 9.251 -3.956 1181 HG1 THR 136 HG1 THR 136 8.338 9.135 -1.662 1182 HG21 THR 136 HG21 THR 136 6.440 6.707 -3.396 1183 HG22 THR 136 HG22 THR 136 6.806 7.358 -4.994 1184 HG23 THR 136 HG23 THR 136 5.741 8.244 -3.903 1185 H SER 137 H SER 137 10.574 7.236 -1.451 1186 HA SER 137 HA SER 137 9.505 4.587 -0.768 1187 HB2 SER 137 HB3 SER 137 11.974 5.904 0.382 1188 HB3 SER 137 HB2 SER 137 11.522 4.203 0.457 1189 HG SER 137 HG SER 137 11.948 5.513 -2.012 1190 H ARG 138 H ARG 138 7.864 4.749 0.597 1191 HA ARG 138 HA ARG 138 7.926 6.911 2.586 1192 HB2 ARG 138 HB3 ARG 138 5.591 5.419 1.384 1193 HB3 ARG 138 HB2 ARG 138 5.455 6.626 2.661 1194 HG2 ARG 138 HG3 ARG 138 6.162 8.361 1.253 1195 HG3 ARG 138 HG2 ARG 138 6.788 7.238 0.045 1196 HD2 ARG 138 HD3 ARG 138 4.745 8.202 -0.756 1197 HD3 ARG 138 HD2 ARG 138 4.480 6.498 -0.400 1198 HE ARG 138 HE ARG 138 3.683 8.606 1.493 1199 HH11 ARG 138 HH11 ARG 138 2.958 5.817 -0.471 1200 HH12 ARG 138 HH12 ARG 138 1.379 5.577 0.215 1201 HH21 ARG 138 HH21 ARG 138 1.557 8.332 2.353 1202 HH22 ARG 138 HH22 ARG 138 0.588 7.011 1.796 1203 H TYR 139 H TYR 139 7.983 6.446 4.667 1204 HA TYR 139 HA TYR 139 8.494 3.629 5.256 1205 HB2 TYR 139 HB3 TYR 139 9.287 6.101 6.811 1206 HB3 TYR 139 HB2 TYR 139 9.837 4.455 7.114 1207 HD1 TYR 139 HD1 TYR 139 10.125 7.362 4.891 1208 HD2 TYR 139 HD2 TYR 139 11.533 3.428 5.708 1209 HE1 TYR 139 HE1 TYR 139 12.022 7.730 3.373 1210 HE2 TYR 139 HE2 TYR 139 13.441 3.784 4.188 1211 HH TYR 139 HH TYR 139 14.023 5.221 2.271 1212 H TYR 140 H TYR 140 6.983 2.532 6.265 1213 HA TYR 140 HA TYR 140 5.162 3.935 8.102 1214 HB2 TYR 140 HB3 TYR 140 4.867 1.318 6.609 1215 HB3 TYR 140 HB2 TYR 140 3.731 1.877 7.830 1216 HD1 TYR 140 HD1 TYR 140 2.179 3.646 7.362 1217 HD2 TYR 140 HD2 TYR 140 5.004 2.429 4.422 1218 HE1 TYR 140 HE1 TYR 140 0.929 4.888 5.659 1219 HE2 TYR 140 HE2 TYR 140 3.755 3.680 2.706 1220 HH TYR 140 HH TYR 140 1.437 4.530 2.340 1221 H LYS 141 H LYS 141 5.119 3.388 10.210 1222 HA LYS 141 HA LYS 141 6.511 0.936 11.024 1223 HB2 LYS 141 HB3 LYS 141 7.333 2.016 12.980 1224 HB3 LYS 141 HB2 LYS 141 7.747 3.034 11.620 1225 HG2 LYS 141 HG3 LYS 141 7.020 4.629 13.043 1226 HG3 LYS 141 HG2 LYS 141 5.480 4.222 12.280 1227 HD2 LYS 141 HD3 LYS 141 5.253 4.331 14.704 1228 HD3 LYS 141 HD2 LYS 141 4.975 2.695 14.113 1229 HE2 LYS 141 HE3 LYS 141 7.197 2.038 14.752 1230 HE3 LYS 141 HE2 LYS 141 7.577 3.684 15.251 1231 HZ1 LYS 141 HZ1 LYS 141 7.053 2.367 17.170 1232 HZ2 LYS 141 HZ2 LYS 141 5.587 1.869 16.496 1233 HZ3 LYS 141 HZ3 LYS 141 5.805 3.485 16.936 1234 H LYS 142 H LYS 142 5.541 0.006 13.042 1235 HA LYS 142 HA LYS 142 2.882 -0.504 12.704 1236 HB2 LYS 142 HB3 LYS 142 4.553 -0.675 15.190 1237 HB3 LYS 142 HB2 LYS 142 2.896 -1.257 15.130 1238 HG2 LYS 142 HG3 LYS 142 5.054 -2.176 13.271 1239 HG3 LYS 142 HG2 LYS 142 4.646 -2.999 14.773 1240 HD2 LYS 142 HD3 LYS 142 2.754 -2.501 12.477 1241 HD3 LYS 142 HD2 LYS 142 3.588 -4.021 12.790 1242 HE2 LYS 142 HE3 LYS 142 1.645 -2.674 14.655 1243 HE3 LYS 142 HE2 LYS 142 1.273 -4.037 13.605 1244 HZ1 LYS 142 HZ1 LYS 142 3.222 -4.026 15.840 1245 HZ2 LYS 142 HZ2 LYS 142 2.957 -5.330 14.798 1246 HZ3 LYS 142 HZ3 LYS 142 1.721 -4.801 15.821 1247 H GLN 143 H GLN 143 0.978 -0.100 14.050 1248 HA GLN 143 HA GLN 143 0.779 2.461 15.317 1249 HB2 GLN 143 HB3 GLN 143 -1.021 0.067 15.059 1250 HB3 GLN 143 HB2 GLN 143 -1.434 1.369 16.164 1251 HG2 GLN 143 HG3 GLN 143 -0.801 1.932 13.298 1252 HG3 GLN 143 HG2 GLN 143 -2.406 1.394 13.791 1253 HE21 GLN 143 HE21 GLN 143 -0.043 3.926 14.030 1254 HE22 GLN 143 HE22 GLN 143 -1.114 5.144 14.619 1255 H21 OLA1001 H21 OLA1001 -0.631 6.214 -1.639 1256 H22 OLA1001 H22 OLA1001 -0.333 6.841 -0.017 1257 H31 OLA1001 H31 OLA1001 -2.719 6.165 0.515 1258 H32 OLA1001 H32 OLA1001 -2.929 5.959 -1.223 1259 H41 OLA1001 H41 OLA1001 -2.243 8.308 -1.553 1260 H42 OLA1001 H42 OLA1001 -2.160 8.497 0.202 1261 H51 OLA1001 H51 OLA1001 -4.566 7.711 0.262 1262 H52 OLA1001 H52 OLA1001 -4.577 7.903 -1.489 1263 H61 OLA1001 H61 OLA1001 -4.091 10.250 -1.285 1264 H62 OLA1001 H62 OLA1001 -3.911 10.097 0.465 1265 H71 OLA1001 H71 OLA1001 -6.278 9.369 0.594 1266 H72 OLA1001 H72 OLA1001 -6.429 9.672 -1.140 1267 H81 OLA1001 H81 OLA1001 -5.652 11.723 0.918 1268 H82 OLA1001 H82 OLA1001 -7.265 11.526 0.254 1269 H9 OLA1001 H9 OLA1001 -4.969 12.942 -0.900 1270 H10 OLA1001 H10 OLA1001 -6.219 13.232 -2.896 1271 H111 OLA1001 H111 OLA1001 -8.646 12.343 -2.114 1272 H112 OLA1001 H112 OLA1001 -7.792 10.812 -2.051 1273 H121 OLA1001 H121 OLA1001 -7.847 12.516 -4.527 1274 H122 OLA1001 H122 OLA1001 -9.089 11.313 -4.169 1275 H131 OLA1001 H131 OLA1001 -7.454 10.297 -5.612 1276 H132 OLA1001 H132 OLA1001 -7.291 9.594 -4.003 1277 H141 OLA1001 H141 OLA1001 -5.507 11.459 -3.669 1278 H142 OLA1001 H142 OLA1001 -5.481 11.486 -5.431 1279 H151 OLA1001 H151 OLA1001 -4.844 9.192 -5.533 1280 H152 OLA1001 H152 OLA1001 -5.098 8.990 -3.796 1281 H161 OLA1001 H161 OLA1001 -3.310 10.641 -3.370 1282 H162 OLA1001 H162 OLA1001 -3.034 10.742 -5.115 1283 H171 OLA1001 H171 OLA1001 -2.358 8.450 -5.213 1284 H172 OLA1001 H172 OLA1001 -2.789 8.206 -3.520 1285 H181 OLA1001 H181 OLA1001 -0.440 8.424 -3.591 1286 H182 OLA1001 H182 OLA1001 -1.070 9.951 -2.951 1287 H183 OLA1001 H183 OLA1001 -0.536 9.851 -4.643
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