NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
570307 | 2mck | 19444 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 16.061 4.832 -3.138 2 H2 MET 1 H2 MET 1 15.405 3.580 -3.967 3 H3 MET 1 H3 MET 1 14.475 4.845 -3.528 4 HA MET 1 HA MET 1 14.963 4.987 -5.885 5 HB2 MET 1 HB2 MET 1 14.612 7.059 -4.573 6 HB3 MET 1 HB3 MET 1 16.341 7.170 -4.253 7 HG2 MET 1 HG2 MET 1 16.766 7.421 -6.689 8 HG3 MET 1 HG3 MET 1 15.032 7.268 -7.004 9 HE1 MET 1 HE1 MET 1 15.210 9.505 -8.456 10 HE2 MET 1 HE2 MET 1 15.863 11.035 -7.827 11 HE3 MET 1 HE3 MET 1 16.939 9.640 -8.056 12 H ARG 2 H ARG 2 16.260 3.327 -6.753 13 HA ARG 2 HA ARG 2 19.094 4.074 -7.257 14 HB2 ARG 2 HB2 ARG 2 18.207 1.326 -6.253 15 HB3 ARG 2 HB3 ARG 2 19.765 1.662 -7.011 16 HG2 ARG 2 HG2 ARG 2 20.271 3.309 -5.185 17 HG3 ARG 2 HG3 ARG 2 18.771 2.812 -4.374 18 HD2 ARG 2 HD2 ARG 2 19.618 0.459 -4.303 19 HD3 ARG 2 HD3 ARG 2 21.103 0.987 -5.085 20 HE ARG 2 HE ARG 2 21.811 2.098 -3.143 21 HH11 ARG 2 HH11 ARG 2 18.686 0.624 -2.505 22 HH12 ARG 2 HH12 ARG 2 18.858 0.808 -0.781 23 HH21 ARG 2 HH21 ARG 2 21.959 2.292 -0.947 24 HH22 ARG 2 HH22 ARG 2 20.668 1.729 0.073 25 H GLY 3 H GLY 3 19.840 3.509 -9.222 26 HA2 GLY 3 HA2 GLY 3 20.005 2.639 -11.330 27 HA3 GLY 3 HA3 GLY 3 18.787 1.448 -10.905 28 H SER 4 H SER 4 18.921 2.274 -13.420 29 HA SER 4 HA SER 4 16.240 3.285 -13.916 30 HB2 SER 4 HB2 SER 4 16.907 5.052 -15.494 31 HB3 SER 4 HB3 SER 4 17.421 5.422 -13.844 32 HG SER 4 HG SER 4 19.098 5.841 -15.351 33 H HIS 5 H HIS 5 15.540 2.925 -16.123 34 HA HIS 5 HA HIS 5 17.290 1.514 -17.997 35 HB2 HIS 5 HB2 HIS 5 15.842 -0.461 -18.209 36 HB3 HIS 5 HB3 HIS 5 16.601 -0.365 -16.630 37 HD2 HIS 5 HD2 HIS 5 14.973 0.400 -14.518 38 HE1 HIS 5 HE1 HIS 5 11.334 -0.736 -16.429 39 HE2 HIS 5 HE2 HIS 5 12.404 -0.103 -14.208 40 H HIS 6 H HIS 6 16.521 1.445 -20.114 41 HA HIS 6 HA HIS 6 13.917 2.706 -20.770 42 HB2 HIS 6 HB2 HIS 6 16.608 3.709 -21.762 43 HB3 HIS 6 HB3 HIS 6 15.063 4.108 -22.502 44 HD2 HIS 6 HD2 HIS 6 17.221 4.938 -19.451 45 HE1 HIS 6 HE1 HIS 6 13.882 7.593 -19.338 46 HE2 HIS 6 HE2 HIS 6 16.144 7.053 -18.299 47 H HIS 7 H HIS 7 12.910 1.493 -22.227 48 HA HIS 7 HA HIS 7 14.357 0.317 -24.523 49 HB2 HIS 7 HB2 HIS 7 13.189 -1.924 -24.113 50 HB3 HIS 7 HB3 HIS 7 14.620 -1.528 -23.194 51 HD2 HIS 7 HD2 HIS 7 14.426 -1.064 -20.592 52 HE1 HIS 7 HE1 HIS 7 10.438 -2.445 -20.095 53 HE2 HIS 7 HE2 HIS 7 12.562 -1.709 -18.876 54 H HIS 8 H HIS 8 13.096 2.311 -25.167 55 HA HIS 8 HA HIS 8 10.328 1.807 -25.992 56 HB2 HIS 8 HB2 HIS 8 11.144 4.072 -25.444 57 HB3 HIS 8 HB3 HIS 8 12.250 4.003 -26.816 58 HD2 HIS 8 HD2 HIS 8 10.878 6.256 -27.652 59 HE1 HIS 8 HE1 HIS 8 7.438 4.149 -29.045 60 HE2 HIS 8 HE2 HIS 8 8.679 6.376 -29.103 61 H HIS 9 H HIS 9 11.280 -0.345 -26.731 62 HA HIS 9 HA HIS 9 12.403 -0.278 -29.504 63 HB2 HIS 9 HB2 HIS 9 12.609 -2.398 -27.338 64 HB3 HIS 9 HB3 HIS 9 13.405 -2.440 -28.908 65 HD2 HIS 9 HD2 HIS 9 14.965 -2.549 -26.090 66 HE1 HIS 9 HE1 HIS 9 16.524 1.241 -27.275 67 HE2 HIS 9 HE2 HIS 9 16.870 -0.759 -25.737 68 H HIS 10 H HIS 10 9.419 -0.740 -28.238 69 HA HIS 10 HA HIS 10 8.577 -2.701 -30.299 70 HB2 HIS 10 HB2 HIS 10 9.164 -3.757 -27.968 71 HB3 HIS 10 HB3 HIS 10 7.648 -3.051 -27.436 72 HD2 HIS 10 HD2 HIS 10 8.408 -6.237 -27.687 73 HE1 HIS 10 HE1 HIS 10 5.469 -6.317 -30.777 74 HE2 HIS 10 HE2 HIS 10 6.846 -7.747 -29.179 75 H GLY 11 H GLY 11 6.249 -2.740 -30.611 76 HA2 GLY 11 HA2 GLY 11 4.413 -0.905 -29.476 77 HA3 GLY 11 HA3 GLY 11 5.050 -0.181 -30.951 78 H SER 12 H SER 12 2.382 -1.542 -30.001 79 HA SER 12 HA SER 12 1.757 -2.733 -32.618 80 HB2 SER 12 HB2 SER 12 0.758 -4.780 -31.606 81 HB3 SER 12 HB3 SER 12 2.521 -4.712 -31.540 82 HG SER 12 HG SER 12 0.887 -3.883 -29.365 83 H GLY 58 H GLY 58 0.219 -1.272 -33.114 84 HA2 GLY 58 HA2 GLY 58 -1.835 -0.347 -31.252 85 HA3 GLY 58 HA3 GLY 58 -1.726 -0.005 -32.977 86 H ALA 59 H ALA 59 -3.187 -1.938 -30.555 87 HA ALA 59 HA ALA 59 -5.030 -3.253 -32.452 88 HB1 ALA 59 HB1 ALA 59 -3.210 -4.803 -30.539 89 HB2 ALA 59 HB2 ALA 59 -4.486 -5.507 -31.554 90 HB3 ALA 59 HB3 ALA 59 -3.065 -4.776 -32.307 91 H LEU 60 H LEU 60 -6.523 -4.789 -31.004 92 HA LEU 60 HA LEU 60 -7.455 -3.300 -28.591 93 HB2 LEU 60 HB2 LEU 60 -8.668 -5.497 -30.308 94 HB3 LEU 60 HB3 LEU 60 -9.253 -5.144 -28.690 95 HG LEU 60 HG LEU 60 -9.785 -2.821 -29.331 96 HD11 LEU 60 HD11 LEU 60 -9.011 -3.710 -32.144 97 HD12 LEU 60 HD12 LEU 60 -9.956 -2.253 -31.764 98 HD13 LEU 60 HD13 LEU 60 -8.291 -2.379 -31.204 99 HD21 LEU 60 HD21 LEU 60 -11.472 -4.622 -29.444 100 HD22 LEU 60 HD22 LEU 60 -11.754 -3.399 -30.692 101 HD23 LEU 60 HD23 LEU 60 -11.012 -4.956 -31.128 102 H ALA 61 H ALA 61 -7.342 -4.163 -26.544 103 HA ALA 61 HA ALA 61 -5.817 -6.710 -26.156 104 HB1 ALA 61 HB1 ALA 61 -6.297 -4.370 -24.263 105 HB2 ALA 61 HB2 ALA 61 -5.415 -5.858 -23.870 106 HB3 ALA 61 HB3 ALA 61 -4.779 -4.758 -25.102 107 H ALA 62 H ALA 62 -6.810 -8.451 -25.254 108 HA ALA 62 HA ALA 62 -9.648 -8.276 -24.456 109 HB1 ALA 62 HB1 ALA 62 -7.742 -10.645 -24.542 110 HB2 ALA 62 HB2 ALA 62 -9.486 -10.709 -24.226 111 HB3 ALA 62 HB3 ALA 62 -8.893 -10.181 -25.814 112 H LEU 63 H LEU 63 -10.399 -8.405 -22.400 113 HA LEU 63 HA LEU 63 -8.436 -8.407 -20.146 114 HB2 LEU 63 HB2 LEU 63 -11.049 -6.878 -20.216 115 HB3 LEU 63 HB3 LEU 63 -9.791 -6.796 -18.991 116 HG LEU 63 HG LEU 63 -9.618 -5.723 -21.842 117 HD11 LEU 63 HD11 LEU 63 -9.745 -4.295 -19.157 118 HD12 LEU 63 HD12 LEU 63 -9.630 -3.532 -20.758 119 HD13 LEU 63 HD13 LEU 63 -11.083 -4.443 -20.321 120 HD21 LEU 63 HD21 LEU 63 -7.372 -6.370 -21.158 121 HD22 LEU 63 HD22 LEU 63 -7.526 -4.621 -21.110 122 HD23 LEU 63 HD23 LEU 63 -7.575 -5.544 -19.587 123 H HIS 64 H HIS 64 -9.150 -9.348 -18.166 124 HA HIS 64 HA HIS 64 -11.166 -11.485 -18.330 125 HB2 HIS 64 HB2 HIS 64 -9.663 -10.261 -16.011 126 HB3 HIS 64 HB3 HIS 64 -10.780 -11.605 -15.841 127 HD2 HIS 64 HD2 HIS 64 -7.184 -10.892 -16.386 128 HE1 HIS 64 HE1 HIS 64 -7.665 -15.005 -17.403 129 HE2 HIS 64 HE2 HIS 64 -5.966 -13.178 -16.889 130 H ALA 65 H ALA 65 -13.311 -11.379 -17.712 131 HA ALA 65 HA ALA 65 -14.422 -8.683 -17.311 132 HB1 ALA 65 HB1 ALA 65 -15.757 -11.374 -17.800 133 HB2 ALA 65 HB2 ALA 65 -16.532 -9.780 -17.883 134 HB3 ALA 65 HB3 ALA 65 -15.271 -10.206 -19.056 135 H ASP 66 H ASP 66 -13.852 -11.475 -15.277 136 HA ASP 66 HA ASP 66 -15.413 -10.331 -13.035 137 HB2 ASP 66 HB2 ASP 66 -16.954 -11.689 -14.483 138 HB3 ASP 66 HB3 ASP 66 -15.915 -13.090 -14.224 139 H GLY 67 H GLY 67 -15.213 -11.737 -11.043 140 HA2 GLY 67 HA2 GLY 67 -14.076 -13.010 -9.497 141 HA3 GLY 67 HA3 GLY 67 -13.243 -13.776 -10.834 142 HA PRO 68 HA PRO 68 -10.056 -11.811 -8.189 143 HB2 PRO 68 HB2 PRO 68 -7.827 -13.079 -9.287 144 HB3 PRO 68 HB3 PRO 68 -8.919 -13.801 -8.061 145 HG2 PRO 68 HG2 PRO 68 -8.953 -14.150 -11.070 146 HG3 PRO 68 HG3 PRO 68 -9.075 -15.413 -9.802 147 HD2 PRO 68 HD2 PRO 68 -11.266 -14.460 -11.042 148 HD3 PRO 68 HD3 PRO 68 -11.309 -14.801 -9.284 149 H HIS 69 H HIS 69 -9.940 -11.911 -11.705 150 HA HIS 69 HA HIS 69 -7.904 -9.726 -11.827 151 HB2 HIS 69 HB2 HIS 69 -8.502 -12.043 -13.660 152 HB3 HIS 69 HB3 HIS 69 -7.351 -10.766 -14.014 153 HD2 HIS 69 HD2 HIS 69 -6.245 -13.523 -13.991 154 HE1 HIS 69 HE1 HIS 69 -4.520 -12.729 -10.188 155 HE2 HIS 69 HE2 HIS 69 -4.475 -14.301 -12.187 156 H ALA 70 H ALA 70 -11.047 -9.495 -11.857 157 HA ALA 70 HA ALA 70 -11.925 -8.758 -14.385 158 HB1 ALA 70 HB1 ALA 70 -12.696 -7.512 -11.719 159 HB2 ALA 70 HB2 ALA 70 -13.646 -7.454 -13.221 160 HB3 ALA 70 HB3 ALA 70 -13.363 -9.007 -12.411 161 H GLY 71 H GLY 71 -11.373 -7.275 -15.816 162 HA2 GLY 71 HA2 GLY 71 -10.858 -5.177 -16.703 163 HA3 GLY 71 HA3 GLY 71 -10.464 -4.560 -15.103 164 H LEU 72 H LEU 72 -8.665 -7.352 -15.190 165 HA LEU 72 HA LEU 72 -6.228 -5.962 -16.075 166 HB2 LEU 72 HB2 LEU 72 -6.516 -8.845 -15.183 167 HB3 LEU 72 HB3 LEU 72 -5.037 -7.910 -15.335 168 HG LEU 72 HG LEU 72 -7.161 -7.469 -13.216 169 HD11 LEU 72 HD11 LEU 72 -4.301 -8.473 -12.957 170 HD12 LEU 72 HD12 LEU 72 -5.565 -8.458 -11.716 171 HD13 LEU 72 HD13 LEU 72 -5.671 -9.571 -13.094 172 HD21 LEU 72 HD21 LEU 72 -6.065 -5.344 -13.770 173 HD22 LEU 72 HD22 LEU 72 -5.494 -5.944 -12.207 174 HD23 LEU 72 HD23 LEU 72 -4.464 -6.113 -13.646 175 HA PRO 73 HA PRO 73 -6.112 -7.822 -20.201 176 HB2 PRO 73 HB2 PRO 73 -3.390 -8.153 -20.551 177 HB3 PRO 73 HB3 PRO 73 -4.241 -6.592 -20.729 178 HG2 PRO 73 HG2 PRO 73 -2.732 -7.673 -18.331 179 HG3 PRO 73 HG3 PRO 73 -2.660 -6.021 -19.028 180 HD2 PRO 73 HD2 PRO 73 -4.141 -6.561 -16.848 181 HD3 PRO 73 HD3 PRO 73 -4.728 -5.420 -18.084 182 H VAL 74 H VAL 74 -5.968 -9.894 -21.174 183 HA VAL 74 HA VAL 74 -5.733 -12.055 -19.218 184 HB VAL 74 HB VAL 74 -6.462 -12.315 -22.147 185 HG11 VAL 74 HG11 VAL 74 -6.839 -14.128 -19.729 186 HG12 VAL 74 HG12 VAL 74 -7.536 -14.416 -21.338 187 HG13 VAL 74 HG13 VAL 74 -5.784 -14.451 -21.124 188 HG21 VAL 74 HG21 VAL 74 -8.072 -10.839 -20.989 189 HG22 VAL 74 HG22 VAL 74 -8.797 -12.410 -21.321 190 HG23 VAL 74 HG23 VAL 74 -8.234 -12.024 -19.679 191 H THR 75 H THR 75 -4.003 -11.451 -22.384 192 HA THR 75 HA THR 75 -1.901 -13.348 -21.476 193 HB THR 75 HB THR 75 -1.277 -13.551 -23.721 194 HG1 THR 75 HG1 THR 75 -2.475 -12.263 -25.336 195 HG21 THR 75 HG21 THR 75 -4.306 -13.437 -23.837 196 HG22 THR 75 HG22 THR 75 -3.216 -14.389 -24.863 197 HG23 THR 75 HG23 THR 75 -3.366 -14.776 -23.141 198 H ARG 76 H ARG 76 0.383 -12.853 -22.145 199 HA ARG 76 HA ARG 76 1.396 -10.334 -21.251 200 HB2 ARG 76 HB2 ARG 76 2.731 -12.380 -21.397 201 HB3 ARG 76 HB3 ARG 76 2.615 -12.411 -23.152 202 HG2 ARG 76 HG2 ARG 76 3.814 -10.024 -21.713 203 HG3 ARG 76 HG3 ARG 76 4.767 -11.471 -21.941 204 HD2 ARG 76 HD2 ARG 76 3.451 -10.298 -24.405 205 HD3 ARG 76 HD3 ARG 76 4.808 -9.448 -23.686 206 HE ARG 76 HE ARG 76 6.213 -11.382 -23.946 207 HH11 ARG 76 HH11 ARG 76 3.308 -11.679 -26.016 208 HH12 ARG 76 HH12 ARG 76 4.143 -12.847 -26.987 209 HH21 ARG 76 HH21 ARG 76 7.083 -12.665 -25.167 210 HH22 ARG 76 HH22 ARG 76 6.280 -13.421 -26.547 211 H SER 77 H SER 77 0.401 -11.339 -24.521 212 HA SER 77 HA SER 77 1.258 -8.843 -25.747 213 HB2 SER 77 HB2 SER 77 -0.537 -11.085 -26.706 214 HB3 SER 77 HB3 SER 77 -0.075 -9.677 -27.693 215 HG SER 77 HG SER 77 1.352 -11.602 -27.834 216 H ASP 78 H ASP 78 -1.915 -9.951 -24.389 217 HA ASP 78 HA ASP 78 -3.335 -7.536 -25.046 218 HB2 ASP 78 HB2 ASP 78 -3.591 -9.339 -22.608 219 HB3 ASP 78 HB3 ASP 78 -4.699 -8.041 -23.023 220 H ALA 79 H ALA 79 -1.261 -8.340 -22.220 221 HA ALA 79 HA ALA 79 -1.478 -5.812 -20.908 222 HB1 ALA 79 HB1 ALA 79 0.732 -7.861 -20.843 223 HB2 ALA 79 HB2 ALA 79 0.442 -6.562 -19.647 224 HB3 ALA 79 HB3 ALA 79 -0.729 -7.880 -19.851 225 H ARG 80 H ARG 80 0.975 -6.910 -23.304 226 HA ARG 80 HA ARG 80 2.414 -4.446 -23.504 227 HB2 ARG 80 HB2 ARG 80 2.993 -6.729 -24.538 228 HB3 ARG 80 HB3 ARG 80 1.799 -6.375 -25.786 229 HG2 ARG 80 HG2 ARG 80 3.104 -4.229 -26.290 230 HG3 ARG 80 HG3 ARG 80 4.331 -4.794 -25.145 231 HD2 ARG 80 HD2 ARG 80 5.035 -5.297 -27.387 232 HD3 ARG 80 HD3 ARG 80 4.672 -6.815 -26.570 233 HE ARG 80 HE ARG 80 2.919 -5.394 -28.588 234 HH11 ARG 80 HH11 ARG 80 3.918 -8.482 -27.255 235 HH12 ARG 80 HH12 ARG 80 2.671 -9.359 -28.096 236 HH21 ARG 80 HH21 ARG 80 1.479 -6.510 -29.695 237 HH22 ARG 80 HH22 ARG 80 1.420 -8.260 -29.632 238 H VAL 81 H VAL 81 -0.582 -5.471 -25.193 239 HA VAL 81 HA VAL 81 -0.676 -3.111 -26.896 240 HB VAL 81 HB VAL 81 -2.674 -5.301 -26.245 241 HG11 VAL 81 HG11 VAL 81 -2.963 -3.009 -28.236 242 HG12 VAL 81 HG12 VAL 81 -3.998 -4.454 -28.163 243 HG13 VAL 81 HG13 VAL 81 -4.001 -3.305 -26.826 244 HG21 VAL 81 HG21 VAL 81 -0.638 -5.830 -27.700 245 HG22 VAL 81 HG22 VAL 81 -2.197 -6.056 -28.500 246 HG23 VAL 81 HG23 VAL 81 -1.221 -4.614 -28.845 247 H LEU 82 H LEU 82 -2.220 -4.001 -23.763 248 HA LEU 82 HA LEU 82 -3.668 -1.623 -23.456 249 HB2 LEU 82 HB2 LEU 82 -3.035 -3.932 -21.863 250 HB3 LEU 82 HB3 LEU 82 -2.557 -2.549 -20.900 251 HG LEU 82 HG LEU 82 -5.277 -3.006 -22.172 252 HD11 LEU 82 HD11 LEU 82 -4.331 -3.098 -19.268 253 HD12 LEU 82 HD12 LEU 82 -6.026 -3.206 -19.786 254 HD13 LEU 82 HD13 LEU 82 -4.883 -4.470 -20.259 255 HD21 LEU 82 HD21 LEU 82 -4.829 -0.595 -22.030 256 HD22 LEU 82 HD22 LEU 82 -5.984 -1.042 -20.773 257 HD23 LEU 82 HD23 LEU 82 -4.273 -0.770 -20.354 258 H ILE 83 H ILE 83 -0.308 -2.334 -22.335 259 HA ILE 83 HA ILE 83 0.270 0.265 -21.313 260 HB ILE 83 HB ILE 83 2.081 -1.845 -22.552 261 HG12 ILE 83 HG12 ILE 83 1.824 -1.010 -19.629 262 HG13 ILE 83 HG13 ILE 83 0.812 -2.267 -20.326 263 HG21 ILE 83 HG21 ILE 83 2.803 0.815 -21.235 264 HG22 ILE 83 HG22 ILE 83 3.953 -0.515 -21.372 265 HG23 ILE 83 HG23 ILE 83 3.303 0.219 -22.834 266 HD11 ILE 83 HD11 ILE 83 3.845 -2.358 -20.099 267 HD12 ILE 83 HD12 ILE 83 2.654 -3.345 -19.238 268 HD13 ILE 83 HD13 ILE 83 2.860 -3.544 -20.988 269 H PHE 84 H PHE 84 0.709 -1.031 -24.646 270 HA PHE 84 HA PHE 84 1.837 1.332 -25.698 271 HB2 PHE 84 HB2 PHE 84 1.887 -0.946 -26.712 272 HB3 PHE 84 HB3 PHE 84 0.198 -0.769 -27.158 273 HD1 PHE 84 HD2 PHE 84 3.520 0.984 -27.490 274 HD2 PHE 84 HD1 PHE 84 -0.362 0.259 -29.209 275 HE1 PHE 84 HE2 PHE 84 4.230 2.157 -29.548 276 HE2 PHE 84 HE1 PHE 84 0.354 1.429 -31.295 277 HZ PHE 84 HZ PHE 84 2.651 2.365 -31.471 278 H ASN 85 H ASN 85 -1.633 0.283 -25.987 279 HA ASN 85 HA ASN 85 -2.526 2.666 -27.242 280 HB2 ASN 85 HB2 ASN 85 -3.795 0.560 -27.180 281 HB3 ASN 85 HB3 ASN 85 -4.007 0.702 -25.434 282 HD21 ASN 85 HD22 ASN 85 -5.694 2.064 -24.641 283 HD22 ASN 85 HD21 ASN 85 -6.746 2.941 -25.733 284 H ASP 86 H ASP 86 -2.329 1.922 -23.712 285 HA ASP 86 HA ASP 86 -3.479 4.390 -22.797 286 HB2 ASP 86 HB2 ASP 86 -3.200 2.404 -21.372 287 HB3 ASP 86 HB3 ASP 86 -1.443 2.534 -21.510 288 H TRP 87 H TRP 87 -0.053 3.446 -23.468 289 HA TRP 87 HA TRP 87 1.075 6.014 -22.911 290 HB2 TRP 87 HB2 TRP 87 2.532 4.138 -23.037 291 HB3 TRP 87 HB3 TRP 87 1.966 3.707 -24.643 292 HD1 TRP 87 HD1 TRP 87 4.122 6.407 -22.925 293 HE1 TRP 87 HE1 TRP 87 5.863 7.240 -24.657 294 HE3 TRP 87 HE3 TRP 87 2.224 4.238 -27.166 295 HZ2 TRP 87 HZ2 TRP 87 6.429 6.874 -27.425 296 HZ3 TRP 87 HZ3 TRP 87 3.330 4.586 -29.357 297 HH2 TRP 87 HH2 TRP 87 5.449 5.872 -29.505 298 H GLU 88 H GLU 88 -0.238 4.700 -26.056 299 HA GLU 88 HA GLU 88 0.439 6.990 -27.598 300 HB2 GLU 88 HB2 GLU 88 -1.876 5.028 -27.847 301 HB3 GLU 88 HB3 GLU 88 -1.631 6.369 -28.962 302 HG2 GLU 88 HG2 GLU 88 0.672 5.509 -29.450 303 HG3 GLU 88 HG3 GLU 88 0.284 4.058 -28.527 304 H GLU 89 H GLU 89 -2.588 6.403 -25.671 305 HA GLU 89 HA GLU 89 -3.758 8.932 -26.289 306 HB2 GLU 89 HB2 GLU 89 -4.946 6.953 -25.393 307 HB3 GLU 89 HB3 GLU 89 -4.099 7.132 -23.847 308 HG2 GLU 89 HG2 GLU 89 -5.091 9.344 -23.536 309 HG3 GLU 89 HG3 GLU 89 -5.862 9.254 -25.126 310 H ARG 90 H ARG 90 -1.781 7.927 -23.426 311 HA ARG 90 HA ARG 90 -1.713 10.573 -22.268 312 HB2 ARG 90 HB2 ARG 90 0.126 8.168 -21.913 313 HB3 ARG 90 HB3 ARG 90 0.244 9.650 -20.973 314 HG2 ARG 90 HG2 ARG 90 -2.175 7.812 -20.995 315 HG3 ARG 90 HG3 ARG 90 -0.930 7.867 -19.752 316 HD2 ARG 90 HD2 ARG 90 -2.911 10.074 -20.457 317 HD3 ARG 90 HD3 ARG 90 -2.934 9.027 -19.035 318 HE ARG 90 HE ARG 90 -0.442 10.542 -19.238 319 HH11 ARG 90 HH11 ARG 90 -3.747 10.811 -18.070 320 HH12 ARG 90 HH12 ARG 90 -3.331 12.093 -16.968 321 HH21 ARG 90 HH21 ARG 90 -0.055 12.316 -17.984 322 HH22 ARG 90 HH22 ARG 90 -1.265 12.834 -16.837 323 H LYS 91 H LYS 91 0.364 9.102 -24.723 324 HA LYS 91 HA LYS 91 2.337 11.226 -24.739 325 HB2 LYS 91 HB2 LYS 91 2.862 8.964 -25.425 326 HB3 LYS 91 HB3 LYS 91 1.669 9.009 -26.716 327 HG2 LYS 91 HG2 LYS 91 3.797 11.125 -26.805 328 HG3 LYS 91 HG3 LYS 91 4.330 9.458 -27.035 329 HD2 LYS 91 HD2 LYS 91 2.808 9.109 -28.895 330 HD3 LYS 91 HD3 LYS 91 2.026 10.667 -28.617 331 HE2 LYS 91 HE2 LYS 91 3.439 10.982 -30.486 332 HE3 LYS 91 HE3 LYS 91 4.179 11.841 -29.137 333 HZ1 LYS 91 HZ1 LYS 91 5.024 9.147 -30.123 334 HZ2 LYS 91 HZ2 LYS 91 5.805 10.544 -30.429 335 HZ3 LYS 91 HZ3 LYS 91 5.756 9.974 -28.902 336 H ARG 92 H ARG 92 -0.678 10.666 -26.560 337 HA ARG 92 HA ARG 92 -0.462 13.081 -28.179 338 HB2 ARG 92 HB2 ARG 92 -2.810 11.352 -27.309 339 HB3 ARG 92 HB3 ARG 92 -2.998 12.785 -28.326 340 HG2 ARG 92 HG2 ARG 92 -1.619 11.862 -30.075 341 HG3 ARG 92 HG3 ARG 92 -1.123 10.497 -29.068 342 HD2 ARG 92 HD2 ARG 92 -3.472 9.702 -28.983 343 HD3 ARG 92 HD3 ARG 92 -3.951 11.050 -30.042 344 HE ARG 92 HE ARG 92 -1.830 9.631 -31.302 345 HH11 ARG 92 HH11 ARG 92 -5.212 9.082 -30.552 346 HH12 ARG 92 HH12 ARG 92 -5.416 7.955 -31.864 347 HH21 ARG 92 HH21 ARG 92 -2.157 8.177 -32.954 348 HH22 ARG 92 HH22 ARG 92 -3.723 7.464 -33.190 349 H SER 93 H SER 93 -1.789 12.492 -24.887 350 HA SER 93 HA SER 93 -2.429 15.294 -24.479 351 HB2 SER 93 HB2 SER 93 -1.917 13.087 -22.459 352 HB3 SER 93 HB3 SER 93 -2.564 14.695 -22.091 353 HG SER 93 HG SER 93 -4.263 13.177 -22.387 354 H GLU 94 H GLU 94 0.514 13.415 -23.734 355 HA GLU 94 HA GLU 94 1.987 15.873 -22.880 356 HB2 GLU 94 HB2 GLU 94 1.931 13.132 -21.564 357 HB3 GLU 94 HB3 GLU 94 2.978 14.474 -21.124 358 HG2 GLU 94 HG2 GLU 94 0.970 15.849 -20.586 359 HG3 GLU 94 HG3 GLU 94 -0.058 14.455 -20.928 360 HA PRO 95 HA PRO 95 3.995 13.848 -26.363 361 HB2 PRO 95 HB2 PRO 95 5.763 15.809 -27.168 362 HB3 PRO 95 HB3 PRO 95 3.998 15.855 -27.449 363 HG2 PRO 95 HG2 PRO 95 5.553 17.149 -25.183 364 HG3 PRO 95 HG3 PRO 95 4.337 17.908 -26.263 365 HD2 PRO 95 HD2 PRO 95 3.637 17.003 -23.821 366 HD3 PRO 95 HD3 PRO 95 2.550 16.730 -25.219 367 H TRP 96 H TRP 96 5.717 14.637 -23.495 368 HA TRP 96 HA TRP 96 8.331 13.594 -24.273 369 HB2 TRP 96 HB2 TRP 96 8.824 13.952 -21.874 370 HB3 TRP 96 HB3 TRP 96 8.198 15.368 -22.695 371 HD1 TRP 96 HD1 TRP 96 6.885 12.556 -20.381 372 HE1 TRP 96 HE1 TRP 96 5.056 13.526 -18.848 373 HE3 TRP 96 HE3 TRP 96 6.519 17.244 -22.420 374 HZ2 TRP 96 HZ2 TRP 96 3.616 16.016 -18.560 375 HZ3 TRP 96 HZ3 TRP 96 4.857 18.869 -21.542 376 HH2 TRP 96 HH2 TRP 96 3.414 18.272 -19.610 377 H LEU 97 H LEU 97 5.440 11.988 -23.427 378 HA LEU 97 HA LEU 97 6.081 10.287 -21.435 379 HB2 LEU 97 HB2 LEU 97 3.929 10.618 -23.053 380 HB3 LEU 97 HB3 LEU 97 4.498 9.126 -23.720 381 HG LEU 97 HG LEU 97 3.016 8.311 -22.199 382 HD11 LEU 97 HD11 LEU 97 5.239 8.745 -20.146 383 HD12 LEU 97 HD12 LEU 97 3.951 7.532 -20.107 384 HD13 LEU 97 HD13 LEU 97 5.208 7.411 -21.329 385 HD21 LEU 97 HD21 LEU 97 2.315 10.514 -21.434 386 HD22 LEU 97 HD22 LEU 97 2.409 9.330 -20.110 387 HD23 LEU 97 HD23 LEU 97 3.678 10.570 -20.296 388 H ARG 98 H ARG 98 7.485 8.599 -21.054 389 HA ARG 98 HA ARG 98 8.884 7.293 -23.341 390 HB2 ARG 98 HB2 ARG 98 9.447 7.127 -20.357 391 HB3 ARG 98 HB3 ARG 98 10.434 6.436 -21.635 392 HG2 ARG 98 HG2 ARG 98 10.009 9.418 -21.125 393 HG3 ARG 98 HG3 ARG 98 11.417 8.462 -20.693 394 HD2 ARG 98 HD2 ARG 98 12.046 9.634 -22.629 395 HD3 ARG 98 HD3 ARG 98 11.763 7.963 -23.151 396 HE ARG 98 HE ARG 98 9.496 9.865 -23.390 397 HH11 ARG 98 HH11 ARG 98 12.331 8.889 -25.154 398 HH12 ARG 98 HH12 ARG 98 11.560 9.079 -26.703 399 HH21 ARG 98 HH21 ARG 98 8.436 9.663 -25.350 400 HH22 ARG 98 HH22 ARG 98 9.396 9.634 -26.808 401 H LEU 99 H LEU 99 8.864 5.181 -23.783 402 HA LEU 99 HA LEU 99 6.638 3.580 -22.601 403 HB2 LEU 99 HB2 LEU 99 6.248 4.386 -24.825 404 HB3 LEU 99 HB3 LEU 99 7.764 3.765 -25.411 405 HG LEU 99 HG LEU 99 5.645 2.582 -26.081 406 HD11 LEU 99 HD11 LEU 99 7.644 0.765 -24.664 407 HD12 LEU 99 HD12 LEU 99 6.634 0.393 -26.060 408 HD13 LEU 99 HD13 LEU 99 7.934 1.558 -26.222 409 HD21 LEU 99 HD21 LEU 99 4.532 2.639 -23.867 410 HD22 LEU 99 HD22 LEU 99 4.542 1.062 -24.664 411 HD23 LEU 99 HD23 LEU 99 5.645 1.365 -23.311 412 H ASP 100 H ASP 100 7.176 1.750 -21.595 413 HA ASP 100 HA ASP 100 9.690 0.277 -22.241 414 HB2 ASP 100 HB2 ASP 100 8.787 1.208 -19.484 415 HB3 ASP 100 HB3 ASP 100 10.116 0.105 -19.790 416 H MET 101 H MET 101 8.794 -1.622 -22.987 417 HA MET 101 HA MET 101 6.998 -3.143 -21.214 418 HB2 MET 101 HB2 MET 101 5.209 -3.432 -22.804 419 HB3 MET 101 HB3 MET 101 5.429 -1.753 -22.353 420 HG2 MET 101 HG2 MET 101 6.558 -1.285 -24.483 421 HG3 MET 101 HG3 MET 101 6.365 -2.972 -24.963 422 HE1 MET 101 HE1 MET 101 5.451 -2.314 -27.097 423 HE2 MET 101 HE2 MET 101 3.802 -1.754 -27.403 424 HE3 MET 101 HE3 MET 101 5.057 -0.575 -26.974 425 H SER 102 H SER 102 9.561 -3.844 -21.725 426 HA SER 102 HA SER 102 9.793 -6.060 -23.552 427 HB2 SER 102 HB2 SER 102 11.634 -6.730 -22.100 428 HB3 SER 102 HB3 SER 102 11.695 -4.980 -22.367 429 HG SER 102 HG SER 102 11.965 -5.371 -20.171 430 H ASP 103 H ASP 103 9.819 -8.375 -22.863 431 HA ASP 103 HA ASP 103 7.489 -9.360 -21.612 432 HB2 ASP 103 HB2 ASP 103 10.267 -10.615 -21.801 433 HB3 ASP 103 HB3 ASP 103 8.803 -11.480 -21.349 434 H LYS 104 H LYS 104 10.692 -8.681 -20.176 435 HA LYS 104 HA LYS 104 10.127 -9.520 -17.460 436 HB2 LYS 104 HB2 LYS 104 12.152 -7.666 -18.769 437 HB3 LYS 104 HB3 LYS 104 11.941 -7.629 -17.031 438 HG2 LYS 104 HG2 LYS 104 13.768 -9.009 -17.478 439 HG3 LYS 104 HG3 LYS 104 12.486 -10.016 -16.837 440 HD2 LYS 104 HD2 LYS 104 12.968 -9.823 -19.840 441 HD3 LYS 104 HD3 LYS 104 13.996 -10.821 -18.811 442 HE2 LYS 104 HE2 LYS 104 11.955 -12.013 -17.952 443 HE3 LYS 104 HE3 LYS 104 10.981 -11.143 -19.141 444 HZ1 LYS 104 HZ1 LYS 104 13.255 -12.982 -19.760 445 HZ2 LYS 104 HZ2 LYS 104 11.682 -13.324 -20.002 446 HZ3 LYS 104 HZ3 LYS 104 12.416 -12.167 -20.899 447 H ALA 105 H ALA 105 9.838 -6.265 -19.006 448 HA ALA 105 HA ALA 105 8.893 -4.992 -16.631 449 HB1 ALA 105 HB1 ALA 105 8.480 -4.269 -19.558 450 HB2 ALA 105 HB2 ALA 105 8.216 -3.183 -18.173 451 HB3 ALA 105 HB3 ALA 105 9.846 -3.798 -18.514 452 H ILE 106 H ILE 106 7.057 -6.648 -19.233 453 HA ILE 106 HA ILE 106 4.414 -6.045 -18.162 454 HB ILE 106 HB ILE 106 5.347 -8.263 -19.995 455 HG12 ILE 106 HG12 ILE 106 3.789 -5.728 -20.680 456 HG13 ILE 106 HG13 ILE 106 5.543 -5.734 -20.706 457 HG21 ILE 106 HG21 ILE 106 2.551 -7.294 -19.189 458 HG22 ILE 106 HG22 ILE 106 2.861 -8.340 -20.575 459 HG23 ILE 106 HG23 ILE 106 3.226 -8.925 -18.948 460 HD11 ILE 106 HD11 ILE 106 3.769 -7.488 -22.432 461 HD12 ILE 106 HD12 ILE 106 4.735 -6.091 -22.935 462 HD13 ILE 106 HD13 ILE 106 5.549 -7.560 -22.372 463 H PHE 107 H PHE 107 6.542 -8.968 -17.656 464 HA PHE 107 HA PHE 107 4.691 -10.041 -15.725 465 HB2 PHE 107 HB2 PHE 107 7.645 -10.597 -16.143 466 HB3 PHE 107 HB3 PHE 107 6.578 -11.546 -15.116 467 HD1 PHE 107 HD2 PHE 107 4.155 -12.029 -16.586 468 HD2 PHE 107 HD1 PHE 107 8.206 -11.863 -18.046 469 HE1 PHE 107 HE2 PHE 107 3.531 -13.488 -18.497 470 HE2 PHE 107 HE1 PHE 107 7.568 -13.292 -19.972 471 HZ PHE 107 HZ PHE 107 5.227 -14.105 -20.200 472 H ARG 108 H ARG 108 7.291 -7.671 -15.292 473 HA ARG 108 HA ARG 108 7.164 -7.780 -12.364 474 HB2 ARG 108 HB2 ARG 108 8.410 -5.824 -14.334 475 HB3 ARG 108 HB3 ARG 108 8.496 -5.597 -12.594 476 HG2 ARG 108 HG2 ARG 108 9.546 -8.101 -13.985 477 HG3 ARG 108 HG3 ARG 108 10.522 -6.667 -13.645 478 HD2 ARG 108 HD2 ARG 108 10.049 -6.927 -11.223 479 HD3 ARG 108 HD3 ARG 108 9.122 -8.404 -11.572 480 HE ARG 108 HE ARG 108 11.673 -8.708 -12.757 481 HH11 ARG 108 HH11 ARG 108 10.400 -8.507 -9.496 482 HH12 ARG 108 HH12 ARG 108 11.706 -9.449 -8.829 483 HH21 ARG 108 HH21 ARG 108 13.310 -9.902 -11.842 484 HH22 ARG 108 HH22 ARG 108 13.310 -10.216 -10.133 485 H ARG 109 H ARG 109 5.753 -5.543 -14.786 486 HA ARG 109 HA ARG 109 4.363 -3.916 -12.813 487 HB2 ARG 109 HB2 ARG 109 4.956 -3.078 -15.041 488 HB3 ARG 109 HB3 ARG 109 3.931 -4.300 -15.810 489 HG2 ARG 109 HG2 ARG 109 1.921 -3.298 -14.829 490 HG3 ARG 109 HG3 ARG 109 2.896 -2.117 -13.940 491 HD2 ARG 109 HD2 ARG 109 3.582 -1.027 -15.950 492 HD3 ARG 109 HD3 ARG 109 2.973 -2.344 -16.972 493 HE ARG 109 HE ARG 109 0.685 -1.622 -15.766 494 HH11 ARG 109 HH11 ARG 109 3.048 0.564 -17.155 495 HH12 ARG 109 HH12 ARG 109 1.829 1.699 -17.658 496 HH21 ARG 109 HH21 ARG 109 -0.815 -0.222 -16.551 497 HH22 ARG 109 HH22 ARG 109 -0.316 1.278 -17.279 498 H TYR 110 H TYR 110 3.414 -6.696 -14.790 499 HA TYR 110 HA TYR 110 0.877 -7.018 -13.234 500 HB2 TYR 110 HB2 TYR 110 1.424 -7.429 -16.190 501 HB3 TYR 110 HB3 TYR 110 -0.019 -7.936 -15.334 502 HD1 TYR 110 HD1 TYR 110 -1.501 -6.191 -14.214 503 HD2 TYR 110 HD2 TYR 110 1.494 -5.297 -17.189 504 HE1 TYR 110 HE1 TYR 110 -2.722 -4.113 -14.809 505 HE2 TYR 110 HE2 TYR 110 0.280 -3.198 -17.774 506 HH TYR 110 HH TYR 110 -2.730 -2.192 -16.109 507 HA PRO 111 HA PRO 111 3.495 -10.813 -12.762 508 HB2 PRO 111 HB2 PRO 111 2.803 -11.490 -10.198 509 HB3 PRO 111 HB3 PRO 111 4.000 -10.218 -10.590 510 HG2 PRO 111 HG2 PRO 111 1.051 -9.863 -9.955 511 HG3 PRO 111 HG3 PRO 111 2.448 -8.995 -9.237 512 HD2 PRO 111 HD2 PRO 111 1.008 -7.926 -11.270 513 HD3 PRO 111 HD3 PRO 111 2.786 -7.724 -11.208 514 H HIS 112 H HIS 112 0.061 -10.360 -12.741 515 HA HIS 112 HA HIS 112 -0.703 -13.110 -12.330 516 HB2 HIS 112 HB2 HIS 112 -2.870 -12.386 -12.769 517 HB3 HIS 112 HB3 HIS 112 -2.107 -11.061 -11.901 518 HD2 HIS 112 HD2 HIS 112 -3.848 -11.961 -15.120 519 HE1 HIS 112 HE1 HIS 112 -2.365 -8.025 -15.784 520 HE2 HIS 112 HE2 HIS 112 -3.845 -9.887 -16.727 521 H LEU 113 H LEU 113 0.655 -11.578 -15.152 522 HA LEU 113 HA LEU 113 -0.699 -13.202 -17.133 523 HB2 LEU 113 HB2 LEU 113 1.940 -11.671 -17.269 524 HB3 LEU 113 HB3 LEU 113 1.260 -12.565 -18.609 525 HG LEU 113 HG LEU 113 0.741 -10.356 -19.084 526 HD11 LEU 113 HD11 LEU 113 -1.804 -11.297 -17.702 527 HD12 LEU 113 HD12 LEU 113 -1.668 -10.226 -19.106 528 HD13 LEU 113 HD13 LEU 113 -1.247 -11.948 -19.248 529 HD21 LEU 113 HD21 LEU 113 1.263 -9.378 -17.045 530 HD22 LEU 113 HD22 LEU 113 -0.315 -8.792 -17.613 531 HD23 LEU 113 HD23 LEU 113 -0.233 -9.983 -16.290 532 H ARG 114 H ARG 114 1.885 -14.006 -14.921 533 HA ARG 114 HA ARG 114 2.657 -16.391 -16.492 534 HB2 ARG 114 HB2 ARG 114 4.452 -14.859 -16.094 535 HB3 ARG 114 HB3 ARG 114 4.056 -14.711 -14.374 536 HG2 ARG 114 HG2 ARG 114 4.679 -16.923 -13.904 537 HG3 ARG 114 HG3 ARG 114 4.750 -17.379 -15.615 538 HD2 ARG 114 HD2 ARG 114 6.631 -15.366 -14.306 539 HD3 ARG 114 HD3 ARG 114 6.987 -17.092 -14.506 540 HE ARG 114 HE ARG 114 6.232 -15.705 -16.983 541 HH11 ARG 114 HH11 ARG 114 8.977 -16.585 -14.998 542 HH12 ARG 114 HH12 ARG 114 10.080 -16.556 -16.347 543 HH21 ARG 114 HH21 ARG 114 7.676 -15.698 -18.656 544 HH22 ARG 114 HH22 ARG 114 9.350 -16.076 -18.369 Start of MODEL 2 1 H1 MET 1 H1 MET 1 13.121 -5.325 -2.044 2 H2 MET 1 H2 MET 1 14.538 -5.870 -1.444 3 H3 MET 1 H3 MET 1 13.462 -6.924 -2.091 4 HA MET 1 HA MET 1 14.903 -4.818 -3.594 5 HB2 MET 1 HB2 MET 1 15.296 -7.853 -3.674 6 HB3 MET 1 HB3 MET 1 15.974 -6.710 -4.826 7 HG2 MET 1 HG2 MET 1 17.706 -7.219 -3.352 8 HG3 MET 1 HG3 MET 1 17.204 -5.583 -2.949 9 HE1 MET 1 HE1 MET 1 18.697 -5.778 -0.746 10 HE2 MET 1 HE2 MET 1 18.531 -7.082 0.450 11 HE3 MET 1 HE3 MET 1 19.145 -7.446 -1.177 12 H ARG 2 H ARG 2 14.186 -4.385 -5.671 13 HA ARG 2 HA ARG 2 12.229 -6.131 -7.001 14 HB2 ARG 2 HB2 ARG 2 10.482 -4.456 -7.211 15 HB3 ARG 2 HB3 ARG 2 10.788 -4.815 -5.517 16 HG2 ARG 2 HG2 ARG 2 12.228 -2.704 -5.423 17 HG3 ARG 2 HG3 ARG 2 11.647 -2.319 -7.049 18 HD2 ARG 2 HD2 ARG 2 9.913 -2.734 -4.575 19 HD3 ARG 2 HD3 ARG 2 10.371 -1.171 -5.225 20 HE ARG 2 HE ARG 2 8.374 -3.060 -6.301 21 HH11 ARG 2 HH11 ARG 2 10.110 -0.085 -6.968 22 HH12 ARG 2 HH12 ARG 2 8.947 0.431 -8.158 23 HH21 ARG 2 HH21 ARG 2 6.945 -2.353 -7.830 24 HH22 ARG 2 HH22 ARG 2 7.198 -0.832 -8.632 25 H GLY 3 H GLY 3 11.802 -5.623 -9.162 26 HA2 GLY 3 HA2 GLY 3 12.233 -4.852 -11.299 27 HA3 GLY 3 HA3 GLY 3 13.112 -3.488 -10.625 28 H SER 4 H SER 4 13.939 -4.642 -12.945 29 HA SER 4 HA SER 4 16.702 -5.280 -12.283 30 HB2 SER 4 HB2 SER 4 16.762 -7.280 -13.859 31 HB3 SER 4 HB3 SER 4 16.106 -7.538 -12.243 32 HG SER 4 HG SER 4 14.914 -8.269 -14.361 33 H HIS 5 H HIS 5 14.672 -5.743 -15.201 34 HA HIS 5 HA HIS 5 16.188 -3.606 -16.642 35 HB2 HIS 5 HB2 HIS 5 15.906 -6.520 -17.486 36 HB3 HIS 5 HB3 HIS 5 16.456 -5.234 -18.556 37 HD2 HIS 5 HD2 HIS 5 18.800 -3.923 -17.814 38 HE1 HIS 5 HE1 HIS 5 20.320 -7.208 -15.558 39 HE2 HIS 5 HE2 HIS 5 20.913 -4.988 -16.653 40 H HIS 6 H HIS 6 15.326 -3.011 -18.699 41 HA HIS 6 HA HIS 6 12.489 -3.552 -19.304 42 HB2 HIS 6 HB2 HIS 6 11.999 -1.082 -19.198 43 HB3 HIS 6 HB3 HIS 6 12.232 -1.861 -17.645 44 HD2 HIS 6 HD2 HIS 6 13.981 0.638 -20.035 45 HE1 HIS 6 HE1 HIS 6 15.912 0.981 -16.248 46 HE2 HIS 6 HE2 HIS 6 15.740 1.964 -18.592 47 H HIS 7 H HIS 7 11.887 -2.960 -21.424 48 HA HIS 7 HA HIS 7 13.701 -1.446 -23.154 49 HB2 HIS 7 HB2 HIS 7 14.665 -3.718 -23.282 50 HB3 HIS 7 HB3 HIS 7 13.099 -4.375 -23.738 51 HD2 HIS 7 HD2 HIS 7 13.221 -5.020 -26.225 52 HE1 HIS 7 HE1 HIS 7 15.203 -1.573 -27.782 53 HE2 HIS 7 HE2 HIS 7 14.117 -3.797 -28.388 54 H HIS 8 H HIS 8 12.755 -0.971 -25.264 55 HA HIS 8 HA HIS 8 10.052 -0.120 -25.135 56 HB2 HIS 8 HB2 HIS 8 11.756 -0.565 -27.621 57 HB3 HIS 8 HB3 HIS 8 10.341 0.472 -27.490 58 HD2 HIS 8 HD2 HIS 8 10.659 2.877 -26.331 59 HE1 HIS 8 HE1 HIS 8 14.911 2.749 -26.019 60 HE2 HIS 8 HE2 HIS 8 12.859 4.247 -25.844 61 H HIS 9 H HIS 9 11.466 -2.938 -26.781 62 HA HIS 9 HA HIS 9 10.668 -4.833 -27.667 63 HB2 HIS 9 HB2 HIS 9 9.798 -4.709 -25.186 64 HB3 HIS 9 HB3 HIS 9 8.217 -4.742 -25.952 65 HD2 HIS 9 HD2 HIS 9 7.466 -7.110 -27.038 66 HE1 HIS 9 HE1 HIS 9 10.895 -9.369 -25.886 67 HE2 HIS 9 HE2 HIS 9 8.539 -9.510 -26.843 68 H HIS 10 H HIS 10 9.184 -2.161 -28.629 69 HA HIS 10 HA HIS 10 7.878 -1.512 -30.323 70 HB2 HIS 10 HB2 HIS 10 9.397 -3.030 -31.557 71 HB3 HIS 10 HB3 HIS 10 8.194 -4.313 -31.429 72 HD2 HIS 10 HD2 HIS 10 7.104 -4.569 -33.756 73 HE1 HIS 10 HE1 HIS 10 6.468 -0.464 -34.734 74 HE2 HIS 10 HE2 HIS 10 6.094 -2.865 -35.496 75 H GLY 11 H GLY 11 5.826 -1.587 -31.470 76 HA2 GLY 11 HA2 GLY 11 3.677 -3.305 -30.639 77 HA3 GLY 11 HA3 GLY 11 3.631 -1.789 -29.737 78 H SER 12 H SER 12 1.503 -2.357 -31.164 79 HA SER 12 HA SER 12 1.375 -0.203 -33.144 80 HB2 SER 12 HB2 SER 12 1.985 -2.263 -34.460 81 HB3 SER 12 HB3 SER 12 0.479 -3.014 -33.897 82 HG SER 12 HG SER 12 0.279 -1.959 -35.971 83 H GLY 58 H GLY 58 -0.868 0.389 -33.623 84 HA2 GLY 58 HA2 GLY 58 -2.574 0.353 -31.291 85 HA3 GLY 58 HA3 GLY 58 -2.975 1.012 -32.877 86 H ALA 59 H ALA 59 -3.666 -1.403 -30.667 87 HA ALA 59 HA ALA 59 -5.359 -2.960 -32.530 88 HB1 ALA 59 HB1 ALA 59 -3.113 -4.171 -30.839 89 HB2 ALA 59 HB2 ALA 59 -4.304 -5.089 -31.786 90 HB3 ALA 59 HB3 ALA 59 -3.130 -4.051 -32.611 91 H LEU 60 H LEU 60 -6.672 -4.617 -31.285 92 HA LEU 60 HA LEU 60 -7.707 -3.480 -28.766 93 HB2 LEU 60 HB2 LEU 60 -8.551 -5.765 -30.579 94 HB3 LEU 60 HB3 LEU 60 -9.183 -5.610 -28.948 95 HG LEU 60 HG LEU 60 -10.079 -3.366 -29.448 96 HD11 LEU 60 HD11 LEU 60 -9.193 -3.944 -32.309 97 HD12 LEU 60 HD12 LEU 60 -10.341 -2.672 -31.833 98 HD13 LEU 60 HD13 LEU 60 -8.670 -2.586 -31.281 99 HD21 LEU 60 HD21 LEU 60 -11.463 -5.396 -29.681 100 HD22 LEU 60 HD22 LEU 60 -11.936 -4.159 -30.854 101 HD23 LEU 60 HD23 LEU 60 -10.962 -5.552 -31.379 102 H ALA 61 H ALA 61 -7.713 -4.511 -26.775 103 HA ALA 61 HA ALA 61 -5.990 -6.922 -26.401 104 HB1 ALA 61 HB1 ALA 61 -6.143 -4.464 -24.607 105 HB2 ALA 61 HB2 ALA 61 -5.278 -5.968 -24.229 106 HB3 ALA 61 HB3 ALA 61 -4.750 -4.965 -25.591 107 H ALA 62 H ALA 62 -6.897 -8.521 -25.169 108 HA ALA 62 HA ALA 62 -9.718 -8.200 -24.359 109 HB1 ALA 62 HB1 ALA 62 -7.907 -10.641 -24.346 110 HB2 ALA 62 HB2 ALA 62 -9.650 -10.623 -24.016 111 HB3 ALA 62 HB3 ALA 62 -9.051 -10.190 -25.630 112 H LEU 63 H LEU 63 -10.500 -8.390 -22.299 113 HA LEU 63 HA LEU 63 -8.559 -8.358 -20.028 114 HB2 LEU 63 HB2 LEU 63 -11.218 -6.904 -20.145 115 HB3 LEU 63 HB3 LEU 63 -10.046 -6.857 -18.836 116 HG LEU 63 HG LEU 63 -9.684 -5.651 -21.615 117 HD11 LEU 63 HD11 LEU 63 -10.078 -4.349 -18.891 118 HD12 LEU 63 HD12 LEU 63 -9.859 -3.512 -20.443 119 HD13 LEU 63 HD13 LEU 63 -11.312 -4.481 -20.164 120 HD21 LEU 63 HD21 LEU 63 -7.492 -6.251 -20.799 121 HD22 LEU 63 HD22 LEU 63 -7.715 -4.513 -20.610 122 HD23 LEU 63 HD23 LEU 63 -7.850 -5.568 -19.187 123 H HIS 64 H HIS 64 -9.272 -9.349 -18.078 124 HA HIS 64 HA HIS 64 -11.307 -11.480 -18.268 125 HB2 HIS 64 HB2 HIS 64 -9.772 -10.297 -15.945 126 HB3 HIS 64 HB3 HIS 64 -10.916 -11.622 -15.781 127 HD2 HIS 64 HD2 HIS 64 -7.310 -10.966 -16.335 128 HE1 HIS 64 HE1 HIS 64 -7.866 -15.062 -17.390 129 HE2 HIS 64 HE2 HIS 64 -6.132 -13.268 -16.868 130 H ALA 65 H ALA 65 -13.469 -11.255 -17.801 131 HA ALA 65 HA ALA 65 -14.477 -8.549 -17.285 132 HB1 ALA 65 HB1 ALA 65 -15.918 -11.173 -17.842 133 HB2 ALA 65 HB2 ALA 65 -16.631 -9.548 -17.881 134 HB3 ALA 65 HB3 ALA 65 -15.389 -9.991 -19.069 135 H ASP 66 H ASP 66 -14.030 -11.429 -15.350 136 HA ASP 66 HA ASP 66 -15.499 -10.286 -13.050 137 HB2 ASP 66 HB2 ASP 66 -17.130 -11.516 -14.513 138 HB3 ASP 66 HB3 ASP 66 -16.158 -12.974 -14.321 139 H GLY 67 H GLY 67 -15.333 -11.785 -11.110 140 HA2 GLY 67 HA2 GLY 67 -14.231 -13.192 -9.651 141 HA3 GLY 67 HA3 GLY 67 -13.419 -13.900 -11.032 142 HA PRO 68 HA PRO 68 -10.214 -12.168 -8.243 143 HB2 PRO 68 HB2 PRO 68 -8.005 -13.437 -9.398 144 HB3 PRO 68 HB3 PRO 68 -9.115 -14.179 -8.200 145 HG2 PRO 68 HG2 PRO 68 -9.150 -14.410 -11.220 146 HG3 PRO 68 HG3 PRO 68 -9.320 -15.715 -10.002 147 HD2 PRO 68 HD2 PRO 68 -11.472 -14.654 -11.216 148 HD3 PRO 68 HD3 PRO 68 -11.536 -15.050 -9.470 149 H HIS 69 H HIS 69 -10.023 -12.111 -11.758 150 HA HIS 69 HA HIS 69 -7.976 -9.930 -11.739 151 HB2 HIS 69 HB2 HIS 69 -8.551 -12.167 -13.677 152 HB3 HIS 69 HB3 HIS 69 -7.415 -10.865 -13.982 153 HD2 HIS 69 HD2 HIS 69 -6.291 -13.620 -14.065 154 HE1 HIS 69 HE1 HIS 69 -4.501 -12.895 -10.279 155 HE2 HIS 69 HE2 HIS 69 -4.464 -14.405 -12.323 156 H ALA 70 H ALA 70 -11.098 -9.664 -11.764 157 HA ALA 70 HA ALA 70 -11.995 -8.827 -14.249 158 HB1 ALA 70 HB1 ALA 70 -12.715 -7.656 -11.534 159 HB2 ALA 70 HB2 ALA 70 -13.685 -7.543 -13.020 160 HB3 ALA 70 HB3 ALA 70 -13.409 -9.122 -12.261 161 H GLY 71 H GLY 71 -11.434 -7.308 -15.638 162 HA2 GLY 71 HA2 GLY 71 -10.915 -5.185 -16.463 163 HA3 GLY 71 HA3 GLY 71 -10.500 -4.623 -14.847 164 H LEU 72 H LEU 72 -8.727 -7.427 -15.054 165 HA LEU 72 HA LEU 72 -6.283 -6.037 -15.927 166 HB2 LEU 72 HB2 LEU 72 -6.624 -8.936 -15.101 167 HB3 LEU 72 HB3 LEU 72 -5.119 -8.053 -15.278 168 HG LEU 72 HG LEU 72 -7.178 -7.596 -13.094 169 HD11 LEU 72 HD11 LEU 72 -4.323 -8.635 -12.925 170 HD12 LEU 72 HD12 LEU 72 -5.557 -8.625 -11.651 171 HD13 LEU 72 HD13 LEU 72 -5.710 -9.713 -13.045 172 HD21 LEU 72 HD21 LEU 72 -6.072 -5.473 -13.633 173 HD22 LEU 72 HD22 LEU 72 -5.461 -6.112 -12.102 174 HD23 LEU 72 HD23 LEU 72 -4.477 -6.263 -13.574 175 HA PRO 73 HA PRO 73 -6.218 -7.829 -20.095 176 HB2 PRO 73 HB2 PRO 73 -3.503 -8.225 -20.449 177 HB3 PRO 73 HB3 PRO 73 -4.316 -6.643 -20.616 178 HG2 PRO 73 HG2 PRO 73 -2.865 -7.792 -18.215 179 HG3 PRO 73 HG3 PRO 73 -2.710 -6.146 -18.911 180 HD2 PRO 73 HD2 PRO 73 -4.234 -6.601 -16.743 181 HD3 PRO 73 HD3 PRO 73 -4.785 -5.466 -18.003 182 H VAL 74 H VAL 74 -6.114 -9.894 -21.071 183 HA VAL 74 HA VAL 74 -5.930 -12.084 -19.141 184 HB VAL 74 HB VAL 74 -6.573 -12.305 -22.096 185 HG11 VAL 74 HG11 VAL 74 -7.052 -14.146 -19.721 186 HG12 VAL 74 HG12 VAL 74 -7.689 -14.403 -21.360 187 HG13 VAL 74 HG13 VAL 74 -5.947 -14.453 -21.080 188 HG21 VAL 74 HG21 VAL 74 -8.208 -10.825 -20.996 189 HG22 VAL 74 HG22 VAL 74 -8.938 -12.388 -21.349 190 HG23 VAL 74 HG23 VAL 74 -8.425 -12.008 -19.690 191 H THR 75 H THR 75 -4.109 -11.311 -22.192 192 HA THR 75 HA THR 75 -2.054 -13.298 -21.371 193 HB THR 75 HB THR 75 -1.484 -13.433 -23.665 194 HG1 THR 75 HG1 THR 75 -2.365 -12.092 -25.201 195 HG21 THR 75 HG21 THR 75 -4.521 -13.369 -23.622 196 HG22 THR 75 HG22 THR 75 -3.473 -14.266 -24.736 197 HG23 THR 75 HG23 THR 75 -3.528 -14.718 -23.021 198 H ARG 76 H ARG 76 0.186 -12.881 -22.137 199 HA ARG 76 HA ARG 76 1.328 -10.417 -21.202 200 HB2 ARG 76 HB2 ARG 76 2.393 -12.664 -21.315 201 HB3 ARG 76 HB3 ARG 76 2.467 -12.571 -23.060 202 HG2 ARG 76 HG2 ARG 76 3.870 -10.609 -21.184 203 HG3 ARG 76 HG3 ARG 76 4.579 -12.122 -21.701 204 HD2 ARG 76 HD2 ARG 76 3.913 -9.748 -23.475 205 HD3 ARG 76 HD3 ARG 76 5.501 -10.334 -23.047 206 HE ARG 76 HE ARG 76 3.757 -11.341 -25.143 207 HH11 ARG 76 HH11 ARG 76 6.390 -12.442 -23.079 208 HH12 ARG 76 HH12 ARG 76 6.853 -13.676 -24.211 209 HH21 ARG 76 HH21 ARG 76 4.398 -12.968 -26.495 210 HH22 ARG 76 HH22 ARG 76 5.758 -13.959 -26.079 211 H SER 77 H SER 77 0.309 -11.408 -24.475 212 HA SER 77 HA SER 77 1.263 -8.978 -25.757 213 HB2 SER 77 HB2 SER 77 -0.230 -9.739 -27.635 214 HB3 SER 77 HB3 SER 77 1.048 -10.862 -27.143 215 HG SER 77 HG SER 77 -0.981 -11.920 -27.435 216 H ASP 78 H ASP 78 -1.961 -9.932 -24.374 217 HA ASP 78 HA ASP 78 -3.294 -7.491 -24.999 218 HB2 ASP 78 HB2 ASP 78 -3.555 -9.255 -22.534 219 HB3 ASP 78 HB3 ASP 78 -4.622 -7.917 -22.917 220 H ALA 79 H ALA 79 -1.289 -8.298 -22.114 221 HA ALA 79 HA ALA 79 -1.404 -5.758 -20.842 222 HB1 ALA 79 HB1 ALA 79 0.780 -7.825 -20.820 223 HB2 ALA 79 HB2 ALA 79 0.508 -6.532 -19.613 224 HB3 ALA 79 HB3 ALA 79 -0.672 -7.843 -19.804 225 H ARG 80 H ARG 80 1.015 -6.936 -23.257 226 HA ARG 80 HA ARG 80 2.454 -4.441 -23.392 227 HB2 ARG 80 HB2 ARG 80 3.330 -6.634 -24.124 228 HB3 ARG 80 HB3 ARG 80 2.192 -6.651 -25.482 229 HG2 ARG 80 HG2 ARG 80 3.264 -4.704 -26.494 230 HG3 ARG 80 HG3 ARG 80 4.240 -4.449 -25.043 231 HD2 ARG 80 HD2 ARG 80 5.604 -5.389 -26.816 232 HD3 ARG 80 HD3 ARG 80 5.502 -6.476 -25.439 233 HE ARG 80 HE ARG 80 4.202 -8.004 -26.664 234 HH11 ARG 80 HH11 ARG 80 5.090 -5.313 -28.801 235 HH12 ARG 80 HH12 ARG 80 4.573 -6.201 -30.202 236 HH21 ARG 80 HH21 ARG 80 3.608 -9.030 -28.546 237 HH22 ARG 80 HH22 ARG 80 3.770 -8.214 -30.065 238 H VAL 81 H VAL 81 -0.415 -5.519 -25.249 239 HA VAL 81 HA VAL 81 -0.422 -3.162 -26.969 240 HB VAL 81 HB VAL 81 -2.520 -5.262 -26.335 241 HG11 VAL 81 HG11 VAL 81 -2.678 -2.969 -28.346 242 HG12 VAL 81 HG12 VAL 81 -3.774 -4.366 -28.293 243 HG13 VAL 81 HG13 VAL 81 -3.750 -3.222 -26.953 244 HG21 VAL 81 HG21 VAL 81 -0.538 -5.958 -27.732 245 HG22 VAL 81 HG22 VAL 81 -2.067 -6.016 -28.614 246 HG23 VAL 81 HG23 VAL 81 -0.934 -4.671 -28.882 247 H LEU 82 H LEU 82 -1.942 -3.968 -23.834 248 HA LEU 82 HA LEU 82 -3.423 -1.506 -23.586 249 HB2 LEU 82 HB2 LEU 82 -2.210 -3.346 -21.486 250 HB3 LEU 82 HB3 LEU 82 -3.075 -1.876 -21.076 251 HG LEU 82 HG LEU 82 -4.260 -4.322 -22.426 252 HD11 LEU 82 HD11 LEU 82 -4.856 -2.955 -19.768 253 HD12 LEU 82 HD12 LEU 82 -5.456 -4.525 -20.341 254 HD13 LEU 82 HD13 LEU 82 -3.743 -4.323 -19.947 255 HD21 LEU 82 HD21 LEU 82 -5.412 -2.378 -23.372 256 HD22 LEU 82 HD22 LEU 82 -6.444 -3.146 -22.170 257 HD23 LEU 82 HD23 LEU 82 -5.575 -1.653 -21.753 258 H ILE 83 H ILE 83 -0.047 -2.266 -22.447 259 HA ILE 83 HA ILE 83 0.433 0.409 -21.544 260 HB ILE 83 HB ILE 83 2.396 -1.684 -22.549 261 HG12 ILE 83 HG12 ILE 83 1.647 -0.649 -19.765 262 HG13 ILE 83 HG13 ILE 83 1.165 -2.197 -20.455 263 HG21 ILE 83 HG21 ILE 83 2.914 1.104 -21.399 264 HG22 ILE 83 HG22 ILE 83 4.154 -0.151 -21.464 265 HG23 ILE 83 HG23 ILE 83 3.475 0.454 -22.959 266 HD11 ILE 83 HD11 ILE 83 3.943 -1.358 -19.581 267 HD12 ILE 83 HD12 ILE 83 2.948 -2.698 -18.996 268 HD13 ILE 83 HD13 ILE 83 3.652 -2.766 -20.628 269 H PHE 84 H PHE 84 0.945 -1.013 -24.829 270 HA PHE 84 HA PHE 84 2.035 1.339 -25.941 271 HB2 PHE 84 HB2 PHE 84 2.016 -0.958 -26.963 272 HB3 PHE 84 HB3 PHE 84 0.323 -0.724 -27.377 273 HD1 PHE 84 HD2 PHE 84 3.698 0.878 -27.734 274 HD2 PHE 84 HD1 PHE 84 -0.258 0.454 -29.370 275 HE1 PHE 84 HE2 PHE 84 4.430 2.108 -29.739 276 HE2 PHE 84 HE1 PHE 84 0.460 1.736 -31.392 277 HZ PHE 84 HZ PHE 84 2.806 2.528 -31.599 278 H ASN 85 H ASN 85 -1.425 0.306 -26.115 279 HA ASN 85 HA ASN 85 -2.424 2.646 -27.352 280 HB2 ASN 85 HB2 ASN 85 -3.731 0.715 -25.377 281 HB3 ASN 85 HB3 ASN 85 -4.607 1.939 -26.290 282 HD21 ASN 85 HD22 ASN 85 -5.564 -0.484 -26.590 283 HD22 ASN 85 HD21 ASN 85 -5.096 -1.164 -28.147 284 H ASP 86 H ASP 86 -2.082 1.958 -23.823 285 HA ASP 86 HA ASP 86 -3.227 4.407 -22.893 286 HB2 ASP 86 HB2 ASP 86 -2.903 2.420 -21.481 287 HB3 ASP 86 HB3 ASP 86 -1.149 2.580 -21.630 288 H TRP 87 H TRP 87 0.220 3.516 -23.533 289 HA TRP 87 HA TRP 87 1.341 6.079 -22.971 290 HB2 TRP 87 HB2 TRP 87 2.786 4.192 -23.132 291 HB3 TRP 87 HB3 TRP 87 2.181 3.769 -24.729 292 HD1 TRP 87 HD1 TRP 87 4.387 6.471 -23.072 293 HE1 TRP 87 HE1 TRP 87 6.076 7.302 -24.848 294 HE3 TRP 87 HE3 TRP 87 2.464 4.163 -27.240 295 HZ2 TRP 87 HZ2 TRP 87 6.619 6.884 -27.618 296 HZ3 TRP 87 HZ3 TRP 87 3.554 4.469 -29.446 297 HH2 TRP 87 HH2 TRP 87 5.651 5.777 -29.649 298 H GLU 88 H GLU 88 0.009 4.775 -26.087 299 HA GLU 88 HA GLU 88 0.668 7.084 -27.628 300 HB2 GLU 88 HB2 GLU 88 -1.358 4.836 -27.881 301 HB3 GLU 88 HB3 GLU 88 -1.506 6.229 -28.914 302 HG2 GLU 88 HG2 GLU 88 1.196 5.641 -29.182 303 HG3 GLU 88 HG3 GLU 88 0.476 4.041 -29.017 304 H GLU 89 H GLU 89 -2.336 6.434 -25.712 305 HA GLU 89 HA GLU 89 -3.572 8.943 -26.397 306 HB2 GLU 89 HB2 GLU 89 -4.745 6.911 -25.595 307 HB3 GLU 89 HB3 GLU 89 -3.970 7.081 -24.010 308 HG2 GLU 89 HG2 GLU 89 -5.051 9.246 -23.684 309 HG3 GLU 89 HG3 GLU 89 -5.730 9.186 -25.315 310 H ARG 90 H ARG 90 -1.639 7.895 -23.543 311 HA ARG 90 HA ARG 90 -1.628 10.424 -22.186 312 HB2 ARG 90 HB2 ARG 90 0.376 8.129 -22.176 313 HB3 ARG 90 HB3 ARG 90 0.429 9.490 -21.067 314 HG2 ARG 90 HG2 ARG 90 -2.187 8.045 -21.123 315 HG3 ARG 90 HG3 ARG 90 -0.805 7.119 -20.546 316 HD2 ARG 90 HD2 ARG 90 -1.952 8.149 -18.690 317 HD3 ARG 90 HD3 ARG 90 -0.316 8.766 -18.827 318 HE ARG 90 HE ARG 90 -2.853 10.195 -19.563 319 HH11 ARG 90 HH11 ARG 90 0.539 10.512 -18.653 320 HH12 ARG 90 HH12 ARG 90 0.440 12.258 -18.599 321 HH21 ARG 90 HH21 ARG 90 -2.907 12.411 -19.280 322 HH22 ARG 90 HH22 ARG 90 -1.439 13.258 -18.831 323 H LYS 91 H LYS 91 0.534 9.170 -24.739 324 HA LYS 91 HA LYS 91 2.308 11.426 -24.820 325 HB2 LYS 91 HB2 LYS 91 2.825 9.198 -25.770 326 HB3 LYS 91 HB3 LYS 91 1.593 9.448 -27.020 327 HG2 LYS 91 HG2 LYS 91 2.894 11.450 -27.822 328 HG3 LYS 91 HG3 LYS 91 4.116 11.111 -26.580 329 HD2 LYS 91 HD2 LYS 91 4.508 8.874 -27.628 330 HD3 LYS 91 HD3 LYS 91 3.297 9.259 -28.870 331 HE2 LYS 91 HE2 LYS 91 4.641 11.282 -29.513 332 HE3 LYS 91 HE3 LYS 91 5.873 10.823 -28.332 333 HZ1 LYS 91 HZ1 LYS 91 5.078 9.181 -30.696 334 HZ2 LYS 91 HZ2 LYS 91 6.445 10.061 -30.578 335 HZ3 LYS 91 HZ3 LYS 91 6.237 8.764 -29.612 336 H ARG 92 H ARG 92 -0.732 10.747 -26.632 337 HA ARG 92 HA ARG 92 -0.726 13.240 -28.105 338 HB2 ARG 92 HB2 ARG 92 -2.934 11.342 -27.244 339 HB3 ARG 92 HB3 ARG 92 -3.280 12.828 -28.135 340 HG2 ARG 92 HG2 ARG 92 -2.031 12.159 -30.037 341 HG3 ARG 92 HG3 ARG 92 -1.198 10.879 -29.156 342 HD2 ARG 92 HD2 ARG 92 -3.366 9.649 -28.911 343 HD3 ARG 92 HD3 ARG 92 -4.171 10.931 -29.820 344 HE ARG 92 HE ARG 92 -3.458 9.941 -31.765 345 HH11 ARG 92 HH11 ARG 92 -1.154 8.832 -29.296 346 HH12 ARG 92 HH12 ARG 92 -0.461 7.697 -30.479 347 HH21 ARG 92 HH21 ARG 92 -2.409 8.376 -33.063 348 HH22 ARG 92 HH22 ARG 92 -1.122 7.428 -32.318 349 H SER 93 H SER 93 -1.900 12.550 -24.784 350 HA SER 93 HA SER 93 -2.673 15.320 -24.337 351 HB2 SER 93 HB2 SER 93 -1.974 13.134 -22.349 352 HB3 SER 93 HB3 SER 93 -2.687 14.709 -21.950 353 HG SER 93 HG SER 93 -4.323 13.114 -22.187 354 H GLU 94 H GLU 94 0.337 13.535 -23.632 355 HA GLU 94 HA GLU 94 1.797 16.025 -22.835 356 HB2 GLU 94 HB2 GLU 94 1.445 13.385 -21.387 357 HB3 GLU 94 HB3 GLU 94 2.774 14.487 -21.047 358 HG2 GLU 94 HG2 GLU 94 1.298 16.226 -20.301 359 HG3 GLU 94 HG3 GLU 94 -0.116 15.401 -20.947 360 HA PRO 95 HA PRO 95 3.826 13.790 -26.164 361 HB2 PRO 95 HB2 PRO 95 5.497 15.724 -27.179 362 HB3 PRO 95 HB3 PRO 95 3.719 15.734 -27.368 363 HG2 PRO 95 HG2 PRO 95 5.369 17.175 -25.261 364 HG3 PRO 95 HG3 PRO 95 4.105 17.864 -26.335 365 HD2 PRO 95 HD2 PRO 95 3.514 17.099 -23.813 366 HD3 PRO 95 HD3 PRO 95 2.369 16.758 -25.148 367 H TRP 96 H TRP 96 5.523 14.655 -23.357 368 HA TRP 96 HA TRP 96 8.203 13.810 -24.156 369 HB2 TRP 96 HB2 TRP 96 8.678 14.256 -21.751 370 HB3 TRP 96 HB3 TRP 96 7.954 15.597 -22.610 371 HD1 TRP 96 HD1 TRP 96 6.740 12.714 -20.310 372 HE1 TRP 96 HE1 TRP 96 4.854 13.602 -18.797 373 HE3 TRP 96 HE3 TRP 96 6.291 17.439 -22.250 374 HZ2 TRP 96 HZ2 TRP 96 3.357 16.046 -18.471 375 HZ3 TRP 96 HZ3 TRP 96 4.591 19.010 -21.347 376 HH2 TRP 96 HH2 TRP 96 3.131 18.332 -19.454 377 H LEU 97 H LEU 97 5.578 11.899 -23.699 378 HA LEU 97 HA LEU 97 6.250 10.251 -21.574 379 HB2 LEU 97 HB2 LEU 97 4.090 10.586 -23.232 380 HB3 LEU 97 HB3 LEU 97 4.665 9.075 -23.843 381 HG LEU 97 HG LEU 97 3.179 8.308 -22.301 382 HD11 LEU 97 HD11 LEU 97 5.367 8.811 -20.230 383 HD12 LEU 97 HD12 LEU 97 4.109 7.566 -20.213 384 HD13 LEU 97 HD13 LEU 97 5.399 7.476 -21.406 385 HD21 LEU 97 HD21 LEU 97 2.456 10.517 -21.609 386 HD22 LEU 97 HD22 LEU 97 2.592 9.401 -20.228 387 HD23 LEU 97 HD23 LEU 97 3.839 10.650 -20.499 388 H ARG 98 H ARG 98 7.758 8.690 -21.242 389 HA ARG 98 HA ARG 98 9.147 7.348 -23.504 390 HB2 ARG 98 HB2 ARG 98 9.628 7.545 -20.513 391 HB3 ARG 98 HB3 ARG 98 10.337 6.226 -21.428 392 HG2 ARG 98 HG2 ARG 98 11.940 7.990 -21.190 393 HG3 ARG 98 HG3 ARG 98 11.534 7.761 -22.891 394 HD2 ARG 98 HD2 ARG 98 10.164 9.772 -22.896 395 HD3 ARG 98 HD3 ARG 98 10.356 9.951 -21.135 396 HE ARG 98 HE ARG 98 12.938 9.868 -22.365 397 HH11 ARG 98 HH11 ARG 98 10.235 12.089 -22.176 398 HH12 ARG 98 HH12 ARG 98 11.277 13.497 -22.250 399 HH21 ARG 98 HH21 ARG 98 14.195 11.688 -22.511 400 HH22 ARG 98 HH22 ARG 98 13.461 13.264 -22.479 401 H LEU 99 H LEU 99 9.218 5.153 -23.852 402 HA LEU 99 HA LEU 99 6.902 3.596 -22.769 403 HB2 LEU 99 HB2 LEU 99 6.519 4.445 -24.973 404 HB3 LEU 99 HB3 LEU 99 8.021 3.813 -25.587 405 HG LEU 99 HG LEU 99 5.876 2.654 -26.261 406 HD11 LEU 99 HD11 LEU 99 7.820 0.771 -24.872 407 HD12 LEU 99 HD12 LEU 99 6.855 0.476 -26.305 408 HD13 LEU 99 HD13 LEU 99 8.186 1.619 -26.392 409 HD21 LEU 99 HD21 LEU 99 4.791 2.705 -24.023 410 HD22 LEU 99 HD22 LEU 99 4.763 1.145 -24.849 411 HD23 LEU 99 HD23 LEU 99 5.890 1.402 -23.505 412 H ASP 100 H ASP 100 7.490 1.814 -21.675 413 HA ASP 100 HA ASP 100 9.525 0.020 -22.850 414 HB2 ASP 100 HB2 ASP 100 9.475 0.798 -19.914 415 HB3 ASP 100 HB3 ASP 100 10.289 -0.620 -20.567 416 H MET 101 H MET 101 8.774 -1.999 -23.002 417 HA MET 101 HA MET 101 6.745 -3.130 -21.250 418 HB2 MET 101 HB2 MET 101 4.983 -3.380 -22.974 419 HB3 MET 101 HB3 MET 101 5.262 -1.731 -22.467 420 HG2 MET 101 HG2 MET 101 6.568 -1.272 -24.500 421 HG3 MET 101 HG3 MET 101 6.327 -2.944 -25.022 422 HE1 MET 101 HE1 MET 101 5.783 -2.157 -27.096 423 HE2 MET 101 HE2 MET 101 4.133 -1.769 -27.633 424 HE3 MET 101 HE3 MET 101 5.237 -0.469 -27.142 425 H SER 102 H SER 102 9.328 -3.977 -21.877 426 HA SER 102 HA SER 102 9.353 -6.285 -23.614 427 HB2 SER 102 HB2 SER 102 11.335 -6.896 -22.267 428 HB3 SER 102 HB3 SER 102 11.389 -5.206 -22.798 429 HG SER 102 HG SER 102 11.898 -5.584 -20.504 430 H ASP 103 H ASP 103 9.514 -8.569 -22.789 431 HA ASP 103 HA ASP 103 7.240 -9.292 -21.245 432 HB2 ASP 103 HB2 ASP 103 7.969 -11.499 -21.382 433 HB3 ASP 103 HB3 ASP 103 8.515 -10.747 -22.876 434 H LYS 104 H LYS 104 10.555 -8.571 -20.202 435 HA LYS 104 HA LYS 104 10.199 -9.230 -17.391 436 HB2 LYS 104 HB2 LYS 104 12.206 -7.753 -19.035 437 HB3 LYS 104 HB3 LYS 104 11.910 -7.011 -17.480 438 HG2 LYS 104 HG2 LYS 104 13.661 -8.375 -16.997 439 HG3 LYS 104 HG3 LYS 104 12.300 -9.317 -16.407 440 HD2 LYS 104 HD2 LYS 104 13.738 -9.717 -19.073 441 HD3 LYS 104 HD3 LYS 104 14.056 -10.644 -17.603 442 HE2 LYS 104 HE2 LYS 104 11.773 -11.564 -17.620 443 HE3 LYS 104 HE3 LYS 104 11.365 -10.560 -19.014 444 HZ1 LYS 104 HZ1 LYS 104 13.221 -12.864 -19.006 445 HZ2 LYS 104 HZ2 LYS 104 11.852 -12.614 -19.914 446 HZ3 LYS 104 HZ3 LYS 104 13.194 -11.763 -20.229 447 H ALA 105 H ALA 105 9.694 -6.102 -19.141 448 HA ALA 105 HA ALA 105 8.709 -4.729 -16.838 449 HB1 ALA 105 HB1 ALA 105 8.103 -4.267 -19.781 450 HB2 ALA 105 HB2 ALA 105 7.871 -3.091 -18.470 451 HB3 ALA 105 HB3 ALA 105 9.508 -3.631 -18.900 452 H ILE 106 H ILE 106 6.912 -6.680 -19.283 453 HA ILE 106 HA ILE 106 4.287 -6.218 -18.143 454 HB ILE 106 HB ILE 106 5.213 -8.624 -19.738 455 HG12 ILE 106 HG12 ILE 106 5.575 -6.699 -21.147 456 HG13 ILE 106 HG13 ILE 106 4.126 -7.500 -21.682 457 HG21 ILE 106 HG21 ILE 106 2.450 -7.522 -19.039 458 HG22 ILE 106 HG22 ILE 106 2.740 -8.714 -20.316 459 HG23 ILE 106 HG23 ILE 106 3.115 -9.118 -18.633 460 HD11 ILE 106 HD11 ILE 106 4.262 -4.947 -20.021 461 HD12 ILE 106 HD12 ILE 106 3.870 -5.080 -21.739 462 HD13 ILE 106 HD13 ILE 106 2.753 -5.743 -20.536 463 H PHE 107 H PHE 107 6.584 -8.995 -17.533 464 HA PHE 107 HA PHE 107 4.826 -10.024 -15.494 465 HB2 PHE 107 HB2 PHE 107 7.765 -10.550 -16.032 466 HB3 PHE 107 HB3 PHE 107 6.770 -11.481 -14.924 467 HD1 PHE 107 HD1 PHE 107 4.238 -11.939 -16.377 468 HD2 PHE 107 HD2 PHE 107 8.311 -12.007 -17.799 469 HE1 PHE 107 HE1 PHE 107 3.584 -13.483 -18.206 470 HE2 PHE 107 HE2 PHE 107 7.647 -13.548 -19.622 471 HZ PHE 107 HZ PHE 107 5.277 -14.283 -19.833 472 H ARG 108 H ARG 108 7.417 -7.616 -15.258 473 HA ARG 108 HA ARG 108 7.470 -7.576 -12.342 474 HB2 ARG 108 HB2 ARG 108 8.322 -5.577 -14.480 475 HB3 ARG 108 HB3 ARG 108 8.494 -5.244 -12.768 476 HG2 ARG 108 HG2 ARG 108 9.805 -7.632 -14.142 477 HG3 ARG 108 HG3 ARG 108 10.572 -6.061 -13.885 478 HD2 ARG 108 HD2 ARG 108 10.183 -6.372 -11.404 479 HD3 ARG 108 HD3 ARG 108 9.611 -8.016 -11.769 480 HE ARG 108 HE ARG 108 12.219 -7.483 -12.947 481 HH11 ARG 108 HH11 ARG 108 10.732 -8.532 -9.936 482 HH12 ARG 108 HH12 ARG 108 12.191 -9.310 -9.397 483 HH21 ARG 108 HH21 ARG 108 14.014 -8.436 -12.191 484 HH22 ARG 108 HH22 ARG 108 14.016 -9.267 -10.652 485 H ARG 109 H ARG 109 5.672 -5.602 -14.741 486 HA ARG 109 HA ARG 109 4.336 -4.069 -12.600 487 HB2 ARG 109 HB2 ARG 109 3.992 -4.053 -15.628 488 HB3 ARG 109 HB3 ARG 109 3.167 -2.969 -14.506 489 HG2 ARG 109 HG2 ARG 109 5.396 -2.139 -13.687 490 HG3 ARG 109 HG3 ARG 109 6.194 -3.172 -14.873 491 HD2 ARG 109 HD2 ARG 109 6.133 -0.997 -15.799 492 HD3 ARG 109 HD3 ARG 109 4.939 -1.958 -16.696 493 HE ARG 109 HE ARG 109 3.593 -0.686 -14.536 494 HH11 ARG 109 HH11 ARG 109 5.220 0.387 -17.451 495 HH12 ARG 109 HH12 ARG 109 4.280 1.850 -17.543 496 HH21 ARG 109 HH21 ARG 109 2.420 1.182 -14.722 497 HH22 ARG 109 HH22 ARG 109 2.725 2.280 -16.031 498 H TYR 110 H TYR 110 3.467 -6.760 -14.666 499 HA TYR 110 HA TYR 110 0.874 -7.101 -13.220 500 HB2 TYR 110 HB2 TYR 110 1.441 -7.475 -16.185 501 HB3 TYR 110 HB3 TYR 110 -0.005 -7.979 -15.338 502 HD1 TYR 110 HD1 TYR 110 -1.617 -6.353 -14.409 503 HD2 TYR 110 HD2 TYR 110 1.713 -5.175 -16.890 504 HE1 TYR 110 HE1 TYR 110 -2.808 -4.254 -14.997 505 HE2 TYR 110 HE2 TYR 110 0.534 -3.046 -17.450 506 HH TYR 110 HH TYR 110 -2.720 -2.258 -16.165 507 HA PRO 111 HA PRO 111 3.586 -10.838 -12.799 508 HB2 PRO 111 HB2 PRO 111 2.930 -11.552 -10.233 509 HB3 PRO 111 HB3 PRO 111 4.105 -10.264 -10.630 510 HG2 PRO 111 HG2 PRO 111 1.160 -9.949 -9.956 511 HG3 PRO 111 HG3 PRO 111 2.555 -9.069 -9.250 512 HD2 PRO 111 HD2 PRO 111 1.079 -7.999 -11.254 513 HD3 PRO 111 HD3 PRO 111 2.856 -7.785 -11.220 514 H HIS 112 H HIS 112 0.136 -10.453 -12.705 515 HA HIS 112 HA HIS 112 -0.593 -13.205 -12.279 516 HB2 HIS 112 HB2 HIS 112 -2.771 -12.513 -12.675 517 HB3 HIS 112 HB3 HIS 112 -2.009 -11.159 -11.856 518 HD2 HIS 112 HD2 HIS 112 -3.840 -12.134 -15.000 519 HE1 HIS 112 HE1 HIS 112 -2.456 -8.181 -15.759 520 HE2 HIS 112 HE2 HIS 112 -3.945 -10.069 -16.623 521 H LEU 113 H LEU 113 0.715 -11.695 -15.128 522 HA LEU 113 HA LEU 113 -0.657 -13.363 -17.068 523 HB2 LEU 113 HB2 LEU 113 1.918 -11.736 -17.284 524 HB3 LEU 113 HB3 LEU 113 1.223 -12.649 -18.603 525 HG LEU 113 HG LEU 113 0.607 -10.458 -19.042 526 HD11 LEU 113 HD11 LEU 113 -1.853 -11.502 -17.581 527 HD12 LEU 113 HD12 LEU 113 -1.806 -10.411 -18.974 528 HD13 LEU 113 HD13 LEU 113 -1.330 -12.114 -19.156 529 HD21 LEU 113 HD21 LEU 113 1.162 -9.458 -17.020 530 HD22 LEU 113 HD22 LEU 113 -0.451 -8.933 -17.539 531 HD23 LEU 113 HD23 LEU 113 -0.282 -10.114 -16.217 532 H ARG 114 H ARG 114 2.081 -14.044 -14.972 533 HA ARG 114 HA ARG 114 3.099 -16.210 -16.637 534 HB2 ARG 114 HB2 ARG 114 4.607 -14.614 -15.523 535 HB3 ARG 114 HB3 ARG 114 3.943 -15.069 -13.939 536 HG2 ARG 114 HG2 ARG 114 4.727 -17.329 -14.201 537 HG3 ARG 114 HG3 ARG 114 5.203 -17.020 -15.882 538 HD2 ARG 114 HD2 ARG 114 7.211 -17.029 -14.512 539 HD3 ARG 114 HD3 ARG 114 6.912 -15.402 -15.107 540 HE ARG 114 HE ARG 114 6.531 -14.646 -12.952 541 HH11 ARG 114 HH11 ARG 114 6.675 -18.150 -12.784 542 HH12 ARG 114 HH12 ARG 114 6.731 -18.149 -11.043 543 HH21 ARG 114 HH21 ARG 114 6.605 -14.728 -10.741 544 HH22 ARG 114 HH22 ARG 114 6.697 -16.259 -9.923 Start of MODEL 3 1 H1 MET 1 H1 MET 1 21.392 -2.299 -10.515 2 H2 MET 1 H2 MET 1 21.918 -3.829 -10.710 3 H3 MET 1 H3 MET 1 20.356 -3.544 -10.303 4 HA MET 1 HA MET 1 21.627 -2.790 -12.871 5 HB2 MET 1 HB2 MET 1 19.529 -4.948 -12.312 6 HB3 MET 1 HB3 MET 1 20.025 -4.422 -13.915 7 HG2 MET 1 HG2 MET 1 21.789 -5.793 -11.857 8 HG3 MET 1 HG3 MET 1 21.116 -6.509 -13.306 9 HE1 MET 1 HE1 MET 1 21.614 -4.651 -15.733 10 HE2 MET 1 HE2 MET 1 23.254 -5.136 -16.207 11 HE3 MET 1 HE3 MET 1 22.090 -6.364 -15.668 12 H ARG 2 H ARG 2 20.249 -1.783 -14.456 13 HA ARG 2 HA ARG 2 18.036 -0.145 -13.266 14 HB2 ARG 2 HB2 ARG 2 19.696 0.156 -15.797 15 HB3 ARG 2 HB3 ARG 2 18.404 1.247 -15.330 16 HG2 ARG 2 HG2 ARG 2 20.941 0.801 -13.692 17 HG3 ARG 2 HG3 ARG 2 20.670 2.096 -14.850 18 HD2 ARG 2 HD2 ARG 2 20.159 3.200 -12.905 19 HD3 ARG 2 HD3 ARG 2 18.568 2.687 -13.425 20 HE ARG 2 HE ARG 2 18.415 1.247 -11.592 21 HH11 ARG 2 HH11 ARG 2 21.691 2.498 -11.679 22 HH12 ARG 2 HH12 ARG 2 22.037 1.950 -10.062 23 HH21 ARG 2 HH21 ARG 2 18.940 0.523 -9.571 24 HH22 ARG 2 HH22 ARG 2 20.500 0.885 -8.890 25 H GLY 3 H GLY 3 18.385 -2.763 -15.503 26 HA2 GLY 3 HA2 GLY 3 16.754 -3.940 -16.693 27 HA3 GLY 3 HA3 GLY 3 15.518 -2.808 -16.152 28 H SER 4 H SER 4 15.300 -3.607 -18.687 29 HA SER 4 HA SER 4 15.916 -1.242 -20.336 30 HB2 SER 4 HB2 SER 4 17.044 -2.591 -22.082 31 HB3 SER 4 HB3 SER 4 17.958 -2.531 -20.570 32 HG SER 4 HG SER 4 17.908 -4.658 -21.357 33 H HIS 5 H HIS 5 14.917 -1.215 -22.397 34 HA HIS 5 HA HIS 5 13.080 -3.390 -23.173 35 HB2 HIS 5 HB2 HIS 5 11.546 -1.933 -22.002 36 HB3 HIS 5 HB3 HIS 5 12.180 -0.512 -22.848 37 HD2 HIS 5 HD2 HIS 5 10.733 0.232 -24.851 38 HE1 HIS 5 HE1 HIS 5 9.187 -3.545 -26.098 39 HE2 HIS 5 HE2 HIS 5 9.228 -1.043 -26.597 40 H HIS 6 H HIS 6 13.862 -3.938 -25.050 41 HA HIS 6 HA HIS 6 14.104 -1.990 -27.276 42 HB2 HIS 6 HB2 HIS 6 16.393 -2.755 -27.818 43 HB3 HIS 6 HB3 HIS 6 16.340 -1.989 -26.241 44 HD2 HIS 6 HD2 HIS 6 16.739 -5.476 -27.874 45 HE1 HIS 6 HE1 HIS 6 17.855 -5.911 -23.782 46 HE2 HIS 6 HE2 HIS 6 17.741 -7.083 -26.039 47 H HIS 7 H HIS 7 12.845 -4.778 -26.218 48 HA HIS 7 HA HIS 7 14.109 -6.736 -27.764 49 HB2 HIS 7 HB2 HIS 7 11.508 -6.899 -26.193 50 HB3 HIS 7 HB3 HIS 7 12.532 -8.254 -26.669 51 HD2 HIS 7 HD2 HIS 7 14.231 -9.019 -24.872 52 HE1 HIS 7 HE1 HIS 7 14.529 -5.463 -22.541 53 HE2 HIS 7 HE2 HIS 7 15.272 -7.887 -22.734 54 H HIS 8 H HIS 8 10.694 -5.664 -28.053 55 HA HIS 8 HA HIS 8 10.702 -5.805 -30.930 56 HB2 HIS 8 HB2 HIS 8 9.053 -7.582 -31.232 57 HB3 HIS 8 HB3 HIS 8 10.490 -8.238 -30.483 58 HD2 HIS 8 HD2 HIS 8 10.305 -9.007 -27.870 59 HE1 HIS 8 HE1 HIS 8 6.048 -8.955 -27.675 60 HE2 HIS 8 HE2 HIS 8 8.175 -9.711 -26.487 61 H HIS 9 H HIS 9 8.703 -5.094 -31.869 62 HA HIS 9 HA HIS 9 6.334 -4.935 -30.245 63 HB2 HIS 9 HB2 HIS 9 7.250 -2.699 -29.714 64 HB3 HIS 9 HB3 HIS 9 7.339 -2.320 -31.434 65 HD2 HIS 9 HD2 HIS 9 5.569 -0.334 -31.319 66 HE1 HIS 9 HE1 HIS 9 2.182 -2.595 -30.063 67 HE2 HIS 9 HE2 HIS 9 2.976 -0.318 -30.876 68 H HIS 10 H HIS 10 4.875 -5.874 -31.505 69 HA HIS 10 HA HIS 10 4.400 -4.969 -34.256 70 HB2 HIS 10 HB2 HIS 10 6.115 -6.824 -34.429 71 HB3 HIS 10 HB3 HIS 10 4.945 -7.916 -33.690 72 HD2 HIS 10 HD2 HIS 10 5.314 -5.637 -36.843 73 HE1 HIS 10 HE1 HIS 10 2.633 -8.789 -37.883 74 HE2 HIS 10 HE2 HIS 10 3.882 -6.749 -38.757 75 H GLY 11 H GLY 11 2.332 -5.722 -35.113 76 HA2 GLY 11 HA2 GLY 11 0.439 -7.357 -34.001 77 HA3 GLY 11 HA3 GLY 11 0.241 -5.862 -33.082 78 H SER 12 H SER 12 -1.940 -6.202 -34.126 79 HA SER 12 HA SER 12 -2.137 -4.311 -36.395 80 HB2 SER 12 HB2 SER 12 -2.309 -6.586 -37.386 81 HB3 SER 12 HB3 SER 12 -3.687 -6.927 -36.320 82 HG SER 12 HG SER 12 -4.323 -6.158 -38.426 83 H GLY 58 H GLY 58 -3.701 -2.821 -36.074 84 HA2 GLY 58 HA2 GLY 58 -5.287 -1.556 -34.953 85 HA3 GLY 58 HA3 GLY 58 -5.996 -3.053 -34.352 86 H ALA 59 H ALA 59 -6.378 -1.735 -32.429 87 HA ALA 59 HA ALA 59 -4.068 -1.749 -30.525 88 HB1 ALA 59 HB1 ALA 59 -6.307 0.305 -30.719 89 HB2 ALA 59 HB2 ALA 59 -4.967 0.307 -29.551 90 HB3 ALA 59 HB3 ALA 59 -4.632 0.535 -31.275 91 H LEU 60 H LEU 60 -6.200 -3.820 -31.048 92 HA LEU 60 HA LEU 60 -8.033 -3.696 -28.770 93 HB2 LEU 60 HB2 LEU 60 -7.538 -5.704 -30.995 94 HB3 LEU 60 HB3 LEU 60 -8.558 -6.079 -29.616 95 HG LEU 60 HG LEU 60 -10.054 -4.190 -30.133 96 HD11 LEU 60 HD11 LEU 60 -8.346 -3.871 -32.640 97 HD12 LEU 60 HD12 LEU 60 -9.960 -3.163 -32.412 98 HD13 LEU 60 HD13 LEU 60 -8.636 -2.646 -31.373 99 HD21 LEU 60 HD21 LEU 60 -10.503 -6.467 -30.973 100 HD22 LEU 60 HD22 LEU 60 -11.093 -5.238 -32.101 101 HD23 LEU 60 HD23 LEU 60 -9.583 -6.110 -32.452 102 H ALA 61 H ALA 61 -7.871 -4.641 -26.850 103 HA ALA 61 HA ALA 61 -5.962 -6.861 -26.371 104 HB1 ALA 61 HB1 ALA 61 -6.216 -4.369 -24.630 105 HB2 ALA 61 HB2 ALA 61 -5.281 -5.822 -24.228 106 HB3 ALA 61 HB3 ALA 61 -4.808 -4.819 -25.613 107 H ALA 62 H ALA 62 -6.896 -8.488 -25.197 108 HA ALA 62 HA ALA 62 -9.704 -8.181 -24.346 109 HB1 ALA 62 HB1 ALA 62 -7.893 -10.622 -24.421 110 HB2 ALA 62 HB2 ALA 62 -9.634 -10.615 -24.077 111 HB3 ALA 62 HB3 ALA 62 -9.048 -10.134 -25.682 112 H LEU 63 H LEU 63 -10.471 -8.465 -22.281 113 HA LEU 63 HA LEU 63 -8.506 -8.466 -20.031 114 HB2 LEU 63 HB2 LEU 63 -11.169 -7.014 -20.084 115 HB3 LEU 63 HB3 LEU 63 -9.969 -6.974 -18.801 116 HG LEU 63 HG LEU 63 -9.664 -5.747 -21.577 117 HD11 LEU 63 HD11 LEU 63 -10.032 -4.451 -18.848 118 HD12 LEU 63 HD12 LEU 63 -9.844 -3.614 -20.403 119 HD13 LEU 63 HD13 LEU 63 -11.284 -4.597 -20.103 120 HD21 LEU 63 HD21 LEU 63 -7.454 -6.331 -20.789 121 HD22 LEU 63 HD22 LEU 63 -7.695 -4.595 -20.603 122 HD23 LEU 63 HD23 LEU 63 -7.798 -5.646 -19.174 123 H HIS 64 H HIS 64 -9.220 -9.466 -18.071 124 HA HIS 64 HA HIS 64 -11.254 -11.595 -18.279 125 HB2 HIS 64 HB2 HIS 64 -9.761 -10.434 -15.919 126 HB3 HIS 64 HB3 HIS 64 -10.875 -11.786 -15.808 127 HD2 HIS 64 HD2 HIS 64 -7.277 -11.018 -16.327 128 HE1 HIS 64 HE1 HIS 64 -7.707 -15.120 -17.408 129 HE2 HIS 64 HE2 HIS 64 -6.031 -13.280 -16.866 130 H ALA 65 H ALA 65 -13.404 -11.440 -17.679 131 HA ALA 65 HA ALA 65 -14.450 -8.727 -17.221 132 HB1 ALA 65 HB1 ALA 65 -15.853 -11.373 -17.756 133 HB2 ALA 65 HB2 ALA 65 -16.589 -9.759 -17.800 134 HB3 ALA 65 HB3 ALA 65 -15.346 -10.192 -18.991 135 H ASP 66 H ASP 66 -13.924 -11.559 -15.249 136 HA ASP 66 HA ASP 66 -15.436 -10.424 -12.971 137 HB2 ASP 66 HB2 ASP 66 -16.825 -12.345 -12.719 138 HB3 ASP 66 HB3 ASP 66 -17.024 -11.768 -14.361 139 H GLY 67 H GLY 67 -15.274 -11.906 -11.002 140 HA2 GLY 67 HA2 GLY 67 -14.133 -13.210 -9.487 141 HA3 GLY 67 HA3 GLY 67 -13.286 -13.928 -10.841 142 HA PRO 68 HA PRO 68 -10.134 -11.966 -8.137 143 HB2 PRO 68 HB2 PRO 68 -7.893 -13.217 -9.233 144 HB3 PRO 68 HB3 PRO 68 -8.984 -13.949 -8.012 145 HG2 PRO 68 HG2 PRO 68 -9.005 -14.292 -11.022 146 HG3 PRO 68 HG3 PRO 68 -9.127 -15.558 -9.758 147 HD2 PRO 68 HD2 PRO 68 -11.316 -14.612 -11.006 148 HD3 PRO 68 HD3 PRO 68 -11.366 -14.958 -9.249 149 H HIS 69 H HIS 69 -10.004 -12.058 -11.653 150 HA HIS 69 HA HIS 69 -7.972 -9.868 -11.760 151 HB2 HIS 69 HB2 HIS 69 -8.551 -12.191 -13.592 152 HB3 HIS 69 HB3 HIS 69 -7.413 -10.904 -13.951 153 HD2 HIS 69 HD2 HIS 69 -6.254 -13.636 -13.921 154 HE1 HIS 69 HE1 HIS 69 -4.560 -12.801 -10.112 155 HE2 HIS 69 HE2 HIS 69 -4.467 -14.367 -12.115 156 H ALA 70 H ALA 70 -11.103 -9.627 -11.786 157 HA ALA 70 HA ALA 70 -11.992 -8.857 -14.301 158 HB1 ALA 70 HB1 ALA 70 -12.723 -7.621 -11.617 159 HB2 ALA 70 HB2 ALA 70 -13.687 -7.544 -13.109 160 HB3 ALA 70 HB3 ALA 70 -13.413 -9.105 -12.311 161 H GLY 71 H GLY 71 -11.415 -7.371 -15.724 162 HA2 GLY 71 HA2 GLY 71 -10.879 -5.272 -16.594 163 HA3 GLY 71 HA3 GLY 71 -10.501 -4.666 -14.985 164 H LEU 72 H LEU 72 -8.726 -7.492 -15.146 165 HA LEU 72 HA LEU 72 -6.260 -6.104 -15.978 166 HB2 LEU 72 HB2 LEU 72 -6.623 -8.981 -15.085 167 HB3 LEU 72 HB3 LEU 72 -5.116 -8.103 -15.254 168 HG LEU 72 HG LEU 72 -7.215 -7.591 -13.125 169 HD11 LEU 72 HD11 LEU 72 -4.359 -8.605 -12.869 170 HD12 LEU 72 HD12 LEU 72 -5.622 -8.575 -11.625 171 HD13 LEU 72 HD13 LEU 72 -5.734 -9.698 -12.996 172 HD21 LEU 72 HD21 LEU 72 -6.107 -5.478 -13.702 173 HD22 LEU 72 HD22 LEU 72 -5.522 -6.072 -12.143 174 HD23 LEU 72 HD23 LEU 72 -4.511 -6.260 -13.593 175 HA PRO 73 HA PRO 73 -6.156 -7.905 -20.121 176 HB2 PRO 73 HB2 PRO 73 -3.440 -8.279 -20.480 177 HB3 PRO 73 HB3 PRO 73 -4.262 -6.698 -20.623 178 HG2 PRO 73 HG2 PRO 73 -2.792 -7.880 -18.251 179 HG3 PRO 73 HG3 PRO 73 -2.654 -6.221 -18.917 180 HD2 PRO 73 HD2 PRO 73 -4.178 -6.713 -16.751 181 HD3 PRO 73 HD3 PRO 73 -4.730 -5.564 -17.999 182 H VAL 74 H VAL 74 -6.038 -9.960 -21.130 183 HA VAL 74 HA VAL 74 -5.786 -12.170 -19.220 184 HB VAL 74 HB VAL 74 -6.517 -12.403 -22.151 185 HG11 VAL 74 HG11 VAL 74 -6.948 -14.192 -19.725 186 HG12 VAL 74 HG12 VAL 74 -7.614 -14.488 -21.345 187 HG13 VAL 74 HG13 VAL 74 -5.866 -14.533 -21.095 188 HG21 VAL 74 HG21 VAL 74 -8.127 -10.903 -21.042 189 HG22 VAL 74 HG22 VAL 74 -8.864 -12.475 -21.333 190 HG23 VAL 74 HG23 VAL 74 -8.304 -12.055 -19.700 191 H THR 75 H THR 75 -4.104 -11.392 -22.354 192 HA THR 75 HA THR 75 -1.986 -13.341 -21.608 193 HB THR 75 HB THR 75 -1.476 -13.471 -23.896 194 HG1 THR 75 HG1 THR 75 -2.800 -12.129 -25.383 195 HG21 THR 75 HG21 THR 75 -4.509 -13.344 -23.846 196 HG22 THR 75 HG22 THR 75 -3.476 -14.278 -24.946 197 HG23 THR 75 HG23 THR 75 -3.545 -14.705 -23.228 198 H ARG 76 H ARG 76 0.254 -12.848 -22.404 199 HA ARG 76 HA ARG 76 1.326 -10.334 -21.471 200 HB2 ARG 76 HB2 ARG 76 2.441 -12.407 -23.420 201 HB3 ARG 76 HB3 ARG 76 3.366 -11.032 -22.805 202 HG2 ARG 76 HG2 ARG 76 3.134 -11.822 -20.501 203 HG3 ARG 76 HG3 ARG 76 2.153 -13.196 -21.027 204 HD2 ARG 76 HD2 ARG 76 5.038 -12.677 -21.858 205 HD3 ARG 76 HD3 ARG 76 4.524 -13.792 -20.604 206 HE ARG 76 HE ARG 76 3.410 -15.177 -22.235 207 HH11 ARG 76 HH11 ARG 76 5.725 -12.910 -23.699 208 HH12 ARG 76 HH12 ARG 76 5.796 -13.869 -25.151 209 HH21 ARG 76 HH21 ARG 76 3.613 -16.298 -24.114 210 HH22 ARG 76 HH22 ARG 76 4.665 -15.725 -25.372 211 H SER 77 H SER 77 0.263 -11.355 -24.727 212 HA SER 77 HA SER 77 1.031 -8.923 -26.056 213 HB2 SER 77 HB2 SER 77 -1.118 -10.958 -26.749 214 HB3 SER 77 HB3 SER 77 -0.567 -9.645 -27.811 215 HG SER 77 HG SER 77 0.538 -11.681 -28.176 216 H ASP 78 H ASP 78 -2.067 -9.858 -24.413 217 HA ASP 78 HA ASP 78 -3.423 -7.397 -24.986 218 HB2 ASP 78 HB2 ASP 78 -3.642 -9.196 -22.545 219 HB3 ASP 78 HB3 ASP 78 -4.751 -7.893 -22.952 220 H ALA 79 H ALA 79 -1.342 -8.304 -22.185 221 HA ALA 79 HA ALA 79 -1.381 -5.789 -20.846 222 HB1 ALA 79 HB1 ALA 79 0.797 -7.872 -20.930 223 HB2 ALA 79 HB2 ALA 79 0.534 -6.615 -19.683 224 HB3 ALA 79 HB3 ALA 79 -0.641 -7.926 -19.893 225 H ARG 80 H ARG 80 0.906 -6.958 -23.353 226 HA ARG 80 HA ARG 80 2.479 -4.583 -23.562 227 HB2 ARG 80 HB2 ARG 80 3.004 -6.861 -24.493 228 HB3 ARG 80 HB3 ARG 80 1.787 -6.607 -25.741 229 HG2 ARG 80 HG2 ARG 80 3.048 -4.709 -26.657 230 HG3 ARG 80 HG3 ARG 80 4.196 -4.787 -25.312 231 HD2 ARG 80 HD2 ARG 80 5.157 -5.792 -27.342 232 HD3 ARG 80 HD3 ARG 80 5.009 -6.952 -26.032 233 HE ARG 80 HE ARG 80 3.513 -8.209 -27.267 234 HH11 ARG 80 HH11 ARG 80 3.727 -5.085 -28.956 235 HH12 ARG 80 HH12 ARG 80 2.883 -5.751 -30.332 236 HH21 ARG 80 HH21 ARG 80 2.501 -8.897 -29.159 237 HH22 ARG 80 HH22 ARG 80 2.328 -7.760 -30.476 238 H VAL 81 H VAL 81 -0.541 -5.439 -25.335 239 HA VAL 81 HA VAL 81 -0.452 -3.005 -26.940 240 HB VAL 81 HB VAL 81 -2.655 -5.043 -26.474 241 HG11 VAL 81 HG11 VAL 81 -2.551 -2.651 -28.374 242 HG12 VAL 81 HG12 VAL 81 -3.696 -3.993 -28.525 243 HG13 VAL 81 HG13 VAL 81 -3.757 -2.953 -27.102 244 HG21 VAL 81 HG21 VAL 81 -0.637 -5.816 -27.788 245 HG22 VAL 81 HG22 VAL 81 -2.130 -5.780 -28.730 246 HG23 VAL 81 HG23 VAL 81 -0.919 -4.491 -28.929 247 H LEU 82 H LEU 82 -2.028 -3.911 -23.867 248 HA LEU 82 HA LEU 82 -3.444 -1.418 -23.511 249 HB2 LEU 82 HB2 LEU 82 -2.230 -3.369 -21.510 250 HB3 LEU 82 HB3 LEU 82 -3.063 -1.902 -21.020 251 HG LEU 82 HG LEU 82 -4.317 -4.264 -22.462 252 HD11 LEU 82 HD11 LEU 82 -4.820 -3.048 -19.714 253 HD12 LEU 82 HD12 LEU 82 -5.448 -4.578 -20.359 254 HD13 LEU 82 HD13 LEU 82 -3.724 -4.410 -20.004 255 HD21 LEU 82 HD21 LEU 82 -5.459 -2.255 -23.267 256 HD22 LEU 82 HD22 LEU 82 -6.474 -3.080 -22.084 257 HD23 LEU 82 HD23 LEU 82 -5.575 -1.624 -21.606 258 H ILE 83 H ILE 83 -0.117 -2.356 -22.402 259 HA ILE 83 HA ILE 83 0.571 0.196 -21.358 260 HB ILE 83 HB ILE 83 2.293 -1.977 -22.611 261 HG12 ILE 83 HG12 ILE 83 2.096 -1.098 -19.696 262 HG13 ILE 83 HG13 ILE 83 1.030 -2.323 -20.371 263 HG21 ILE 83 HG21 ILE 83 3.114 0.695 -21.390 264 HG22 ILE 83 HG22 ILE 83 4.212 -0.681 -21.413 265 HG23 ILE 83 HG23 ILE 83 3.625 -0.025 -22.938 266 HD11 ILE 83 HD11 ILE 83 4.062 -2.534 -20.179 267 HD12 ILE 83 HD12 ILE 83 2.849 -3.444 -19.269 268 HD13 ILE 83 HD13 ILE 83 3.011 -3.700 -21.016 269 H PHE 84 H PHE 84 1.029 -1.057 -24.711 270 HA PHE 84 HA PHE 84 2.198 1.293 -25.723 271 HB2 PHE 84 HB2 PHE 84 2.153 -0.943 -26.847 272 HB3 PHE 84 HB3 PHE 84 0.462 -0.691 -27.237 273 HD1 PHE 84 HD2 PHE 84 3.790 1.054 -27.519 274 HD2 PHE 84 HD1 PHE 84 -0.073 0.354 -29.297 275 HE1 PHE 84 HE2 PHE 84 4.497 2.326 -29.513 276 HE2 PHE 84 HE1 PHE 84 0.634 1.637 -31.314 277 HZ PHE 84 HZ PHE 84 2.916 2.626 -31.427 278 H ASN 85 H ASN 85 -1.316 0.372 -26.081 279 HA ASN 85 HA ASN 85 -1.876 2.883 -27.333 280 HB2 ASN 85 HB2 ASN 85 -3.122 0.753 -27.677 281 HB3 ASN 85 HB3 ASN 85 -3.843 0.941 -26.076 282 HD21 ASN 85 HD22 ASN 85 -3.276 2.958 -29.055 283 HD22 ASN 85 HD21 ASN 85 -4.910 3.624 -29.041 284 H ASP 86 H ASP 86 -2.091 1.919 -23.909 285 HA ASP 86 HA ASP 86 -3.345 4.349 -22.981 286 HB2 ASP 86 HB2 ASP 86 -3.050 2.329 -21.567 287 HB3 ASP 86 HB3 ASP 86 -1.302 2.607 -21.557 288 H TRP 87 H TRP 87 0.170 3.471 -23.392 289 HA TRP 87 HA TRP 87 1.200 6.062 -22.830 290 HB2 TRP 87 HB2 TRP 87 2.701 4.236 -22.876 291 HB3 TRP 87 HB3 TRP 87 2.196 3.741 -24.480 292 HD1 TRP 87 HD1 TRP 87 4.378 6.409 -22.784 293 HE1 TRP 87 HE1 TRP 87 6.122 7.210 -24.522 294 HE3 TRP 87 HE3 TRP 87 2.447 4.256 -27.034 295 HZ2 TRP 87 HZ2 TRP 87 6.690 6.843 -27.290 296 HZ3 TRP 87 HZ3 TRP 87 3.549 4.618 -29.223 297 HH2 TRP 87 HH2 TRP 87 5.695 5.862 -29.365 298 H GLU 88 H GLU 88 0.027 4.750 -25.996 299 HA GLU 88 HA GLU 88 0.662 7.025 -27.574 300 HB2 GLU 88 HB2 GLU 88 -1.703 5.104 -27.733 301 HB3 GLU 88 HB3 GLU 88 -1.423 6.385 -28.880 302 HG2 GLU 88 HG2 GLU 88 0.759 5.380 -29.497 303 HG3 GLU 88 HG3 GLU 88 0.384 3.997 -28.461 304 H GLU 89 H GLU 89 -2.378 6.425 -25.652 305 HA GLU 89 HA GLU 89 -3.588 8.932 -26.321 306 HB2 GLU 89 HB2 GLU 89 -4.566 6.759 -25.358 307 HB3 GLU 89 HB3 GLU 89 -4.011 7.301 -23.782 308 HG2 GLU 89 HG2 GLU 89 -5.896 8.820 -25.641 309 HG3 GLU 89 HG3 GLU 89 -6.401 7.737 -24.352 310 H ARG 90 H ARG 90 -1.615 7.920 -23.495 311 HA ARG 90 HA ARG 90 -1.613 10.450 -22.151 312 HB2 ARG 90 HB2 ARG 90 0.614 8.391 -22.088 313 HB3 ARG 90 HB3 ARG 90 0.259 9.611 -20.869 314 HG2 ARG 90 HG2 ARG 90 -1.991 7.737 -21.368 315 HG3 ARG 90 HG3 ARG 90 -0.500 6.972 -20.816 316 HD2 ARG 90 HD2 ARG 90 -0.527 8.398 -18.805 317 HD3 ARG 90 HD3 ARG 90 -2.026 9.170 -19.395 318 HE ARG 90 HE ARG 90 -2.029 6.218 -19.301 319 HH11 ARG 90 HH11 ARG 90 -2.871 8.979 -17.291 320 HH12 ARG 90 HH12 ARG 90 -4.178 8.111 -16.532 321 HH21 ARG 90 HH21 ARG 90 -3.751 5.307 -18.534 322 HH22 ARG 90 HH22 ARG 90 -4.632 5.990 -17.172 323 H LYS 91 H LYS 91 0.540 9.182 -24.704 324 HA LYS 91 HA LYS 91 2.336 11.425 -24.759 325 HB2 LYS 91 HB2 LYS 91 2.845 9.157 -25.622 326 HB3 LYS 91 HB3 LYS 91 1.697 9.407 -26.946 327 HG2 LYS 91 HG2 LYS 91 3.086 11.329 -27.745 328 HG3 LYS 91 HG3 LYS 91 4.210 11.053 -26.394 329 HD2 LYS 91 HD2 LYS 91 4.540 8.708 -27.249 330 HD3 LYS 91 HD3 LYS 91 3.577 9.104 -28.669 331 HE2 LYS 91 HE2 LYS 91 6.140 10.556 -27.829 332 HE3 LYS 91 HE3 LYS 91 6.092 9.213 -28.971 333 HZ1 LYS 91 HZ1 LYS 91 4.746 11.842 -29.395 334 HZ2 LYS 91 HZ2 LYS 91 6.085 11.314 -30.156 335 HZ3 LYS 91 HZ3 LYS 91 4.662 10.570 -30.427 336 H ARG 92 H ARG 92 -0.657 10.731 -26.615 337 HA ARG 92 HA ARG 92 -0.598 13.197 -28.146 338 HB2 ARG 92 HB2 ARG 92 -2.824 11.280 -27.354 339 HB3 ARG 92 HB3 ARG 92 -3.138 12.764 -28.261 340 HG2 ARG 92 HG2 ARG 92 -1.609 12.080 -30.044 341 HG3 ARG 92 HG3 ARG 92 -1.189 10.598 -29.174 342 HD2 ARG 92 HD2 ARG 92 -3.504 9.783 -29.368 343 HD3 ARG 92 HD3 ARG 92 -4.013 11.321 -30.053 344 HE ARG 92 HE ARG 92 -3.139 10.779 -32.115 345 HH11 ARG 92 HH11 ARG 92 -1.998 8.317 -29.907 346 HH12 ARG 92 HH12 ARG 92 -1.565 7.227 -31.208 347 HH21 ARG 92 HH21 ARG 92 -2.502 9.381 -33.710 348 HH22 ARG 92 HH22 ARG 92 -1.796 7.846 -33.296 349 H SER 93 H SER 93 -1.758 12.512 -24.852 350 HA SER 93 HA SER 93 -2.655 15.251 -24.412 351 HB2 SER 93 HB2 SER 93 -3.443 13.240 -23.151 352 HB3 SER 93 HB3 SER 93 -1.866 13.182 -22.339 353 HG SER 93 HG SER 93 -3.506 14.375 -21.162 354 H GLU 94 H GLU 94 0.380 13.530 -23.605 355 HA GLU 94 HA GLU 94 1.802 16.075 -22.947 356 HB2 GLU 94 HB2 GLU 94 1.696 13.471 -21.382 357 HB3 GLU 94 HB3 GLU 94 2.824 14.791 -21.086 358 HG2 GLU 94 HG2 GLU 94 0.884 16.328 -20.707 359 HG3 GLU 94 HG3 GLU 94 -0.209 14.948 -20.861 360 HA PRO 95 HA PRO 95 3.834 13.825 -26.231 361 HB2 PRO 95 HB2 PRO 95 5.554 15.731 -27.230 362 HB3 PRO 95 HB3 PRO 95 3.778 15.766 -27.434 363 HG2 PRO 95 HG2 PRO 95 5.430 17.183 -25.314 364 HG3 PRO 95 HG3 PRO 95 4.181 17.887 -26.394 365 HD2 PRO 95 HD2 PRO 95 3.558 17.133 -23.879 366 HD3 PRO 95 HD3 PRO 95 2.425 16.789 -25.225 367 H TRP 96 H TRP 96 5.579 14.639 -23.438 368 HA TRP 96 HA TRP 96 8.227 13.725 -24.297 369 HB2 TRP 96 HB2 TRP 96 8.791 14.273 -21.929 370 HB3 TRP 96 HB3 TRP 96 8.079 15.589 -22.839 371 HD1 TRP 96 HD1 TRP 96 6.893 12.882 -20.332 372 HE1 TRP 96 HE1 TRP 96 5.055 13.887 -18.833 373 HE3 TRP 96 HE3 TRP 96 6.401 17.450 -22.604 374 HZ2 TRP 96 HZ2 TRP 96 3.555 16.352 -18.665 375 HZ3 TRP 96 HZ3 TRP 96 4.709 19.080 -21.794 376 HH2 TRP 96 HH2 TRP 96 3.290 18.546 -19.825 377 H LEU 97 H LEU 97 5.599 11.883 -23.700 378 HA LEU 97 HA LEU 97 6.276 10.320 -21.517 379 HB2 LEU 97 HB2 LEU 97 4.107 10.605 -23.163 380 HB3 LEU 97 HB3 LEU 97 4.665 9.073 -23.730 381 HG LEU 97 HG LEU 97 3.240 8.299 -22.164 382 HD11 LEU 97 HD11 LEU 97 5.325 9.060 -20.064 383 HD12 LEU 97 HD12 LEU 97 4.100 7.786 -19.970 384 HD13 LEU 97 HD13 LEU 97 5.421 7.622 -21.114 385 HD21 LEU 97 HD21 LEU 97 2.367 10.500 -21.669 386 HD22 LEU 97 HD22 LEU 97 2.493 9.493 -20.210 387 HD23 LEU 97 HD23 LEU 97 3.683 10.791 -20.508 388 H ARG 98 H ARG 98 7.690 8.684 -21.116 389 HA ARG 98 HA ARG 98 9.116 7.275 -23.317 390 HB2 ARG 98 HB2 ARG 98 9.535 7.561 -20.327 391 HB3 ARG 98 HB3 ARG 98 10.231 6.191 -21.172 392 HG2 ARG 98 HG2 ARG 98 11.868 7.934 -20.973 393 HG3 ARG 98 HG3 ARG 98 11.494 7.629 -22.670 394 HD2 ARG 98 HD2 ARG 98 10.161 9.667 -22.796 395 HD3 ARG 98 HD3 ARG 98 10.345 9.936 -21.046 396 HE ARG 98 HE ARG 98 12.933 9.719 -22.230 397 HH11 ARG 98 HH11 ARG 98 10.285 12.018 -22.251 398 HH12 ARG 98 HH12 ARG 98 11.365 13.385 -22.429 399 HH21 ARG 98 HH21 ARG 98 14.236 11.491 -22.507 400 HH22 ARG 98 HH22 ARG 98 13.543 13.081 -22.608 401 H LEU 99 H LEU 99 9.287 5.007 -23.452 402 HA LEU 99 HA LEU 99 6.875 3.521 -22.484 403 HB2 LEU 99 HB2 LEU 99 6.556 4.367 -24.707 404 HB3 LEU 99 HB3 LEU 99 8.063 3.707 -25.275 405 HG LEU 99 HG LEU 99 5.929 2.582 -26.020 406 HD11 LEU 99 HD11 LEU 99 7.805 0.685 -24.556 407 HD12 LEU 99 HD12 LEU 99 6.858 0.397 -26.008 408 HD13 LEU 99 HD13 LEU 99 8.215 1.516 -26.075 409 HD21 LEU 99 HD21 LEU 99 4.733 2.644 -23.854 410 HD22 LEU 99 HD22 LEU 99 4.759 1.066 -24.653 411 HD23 LEU 99 HD23 LEU 99 5.807 1.357 -23.254 412 H ASP 100 H ASP 100 7.310 1.621 -21.529 413 HA ASP 100 HA ASP 100 9.641 -0.021 -22.374 414 HB2 ASP 100 HB2 ASP 100 8.867 0.550 -19.485 415 HB3 ASP 100 HB3 ASP 100 10.026 -0.661 -20.014 416 H MET 101 H MET 101 8.785 -1.949 -23.102 417 HA MET 101 HA MET 101 6.724 -3.308 -21.516 418 HB2 MET 101 HB2 MET 101 5.084 -3.517 -23.285 419 HB3 MET 101 HB3 MET 101 5.356 -1.847 -22.838 420 HG2 MET 101 HG2 MET 101 6.769 -1.511 -24.834 421 HG3 MET 101 HG3 MET 101 6.434 -3.176 -25.326 422 HE1 MET 101 HE1 MET 101 5.796 -2.231 -27.589 423 HE2 MET 101 HE2 MET 101 4.240 -1.461 -27.952 424 HE3 MET 101 HE3 MET 101 5.561 -0.476 -27.328 425 H SER 102 H SER 102 9.325 -4.081 -21.845 426 HA SER 102 HA SER 102 9.538 -6.346 -23.645 427 HB2 SER 102 HB2 SER 102 11.441 -6.940 -22.240 428 HB3 SER 102 HB3 SER 102 11.471 -5.200 -22.590 429 HG SER 102 HG SER 102 11.821 -5.395 -20.414 430 H ASP 103 H ASP 103 9.494 -8.654 -22.847 431 HA ASP 103 HA ASP 103 7.143 -9.334 -21.392 432 HB2 ASP 103 HB2 ASP 103 9.676 -10.904 -21.982 433 HB3 ASP 103 HB3 ASP 103 8.258 -11.600 -21.197 434 H LYS 104 H LYS 104 10.439 -8.736 -20.228 435 HA LYS 104 HA LYS 104 9.995 -9.484 -17.460 436 HB2 LYS 104 HB2 LYS 104 11.951 -7.454 -18.640 437 HB3 LYS 104 HB3 LYS 104 12.023 -8.137 -17.020 438 HG2 LYS 104 HG2 LYS 104 12.404 -9.666 -19.632 439 HG3 LYS 104 HG3 LYS 104 13.660 -9.165 -18.503 440 HD2 LYS 104 HD2 LYS 104 12.622 -10.616 -16.736 441 HD3 LYS 104 HD3 LYS 104 11.453 -11.198 -17.946 442 HE2 LYS 104 HE2 LYS 104 13.314 -12.009 -19.369 443 HE3 LYS 104 HE3 LYS 104 14.489 -11.407 -18.194 444 HZ1 LYS 104 HZ1 LYS 104 12.489 -13.552 -17.652 445 HZ2 LYS 104 HZ2 LYS 104 14.087 -13.783 -17.890 446 HZ3 LYS 104 HZ3 LYS 104 13.576 -12.986 -16.563 447 H ALA 105 H ALA 105 9.702 -6.302 -19.145 448 HA ALA 105 HA ALA 105 8.833 -4.877 -16.809 449 HB1 ALA 105 HB1 ALA 105 8.268 -4.333 -19.755 450 HB2 ALA 105 HB2 ALA 105 8.113 -3.169 -18.426 451 HB3 ALA 105 HB3 ALA 105 9.712 -3.806 -18.862 452 H ILE 106 H ILE 106 6.982 -6.674 -19.296 453 HA ILE 106 HA ILE 106 4.343 -6.089 -18.281 454 HB ILE 106 HB ILE 106 5.380 -8.403 -19.939 455 HG12 ILE 106 HG12 ILE 106 3.691 -6.024 -20.838 456 HG13 ILE 106 HG13 ILE 106 5.439 -5.912 -20.815 457 HG21 ILE 106 HG21 ILE 106 2.519 -7.536 -19.286 458 HG22 ILE 106 HG22 ILE 106 2.942 -8.687 -20.564 459 HG23 ILE 106 HG23 ILE 106 3.272 -9.096 -18.877 460 HD11 ILE 106 HD11 ILE 106 3.830 -7.893 -22.463 461 HD12 ILE 106 HD12 ILE 106 4.754 -6.489 -23.030 462 HD13 ILE 106 HD13 ILE 106 5.603 -7.877 -22.337 463 H PHE 107 H PHE 107 6.511 -8.939 -17.552 464 HA PHE 107 HA PHE 107 4.750 -9.966 -15.538 465 HB2 PHE 107 HB2 PHE 107 7.773 -10.181 -15.803 466 HB3 PHE 107 HB3 PHE 107 6.797 -11.138 -14.704 467 HD1 PHE 107 HD2 PHE 107 4.451 -11.815 -16.598 468 HD2 PHE 107 HD1 PHE 107 8.739 -11.930 -17.071 469 HE1 PHE 107 HE2 PHE 107 4.225 -13.677 -18.206 470 HE2 PHE 107 HE1 PHE 107 8.505 -13.784 -18.703 471 HZ PHE 107 HZ PHE 107 6.251 -14.674 -19.261 472 H ARG 108 H ARG 108 7.375 -7.538 -15.229 473 HA ARG 108 HA ARG 108 7.194 -7.405 -12.337 474 HB2 ARG 108 HB2 ARG 108 8.454 -5.608 -14.443 475 HB3 ARG 108 HB3 ARG 108 8.498 -5.222 -12.721 476 HG2 ARG 108 HG2 ARG 108 9.628 -7.353 -12.210 477 HG3 ARG 108 HG3 ARG 108 9.529 -7.844 -13.898 478 HD2 ARG 108 HD2 ARG 108 11.746 -7.069 -13.511 479 HD3 ARG 108 HD3 ARG 108 10.934 -5.863 -14.527 480 HE ARG 108 HE ARG 108 10.633 -5.131 -11.772 481 HH11 ARG 108 HH11 ARG 108 13.236 -5.291 -14.114 482 HH12 ARG 108 HH12 ARG 108 14.152 -4.041 -13.316 483 HH21 ARG 108 HH21 ARG 108 11.836 -3.529 -10.820 484 HH22 ARG 108 HH22 ARG 108 13.369 -3.069 -11.496 485 H ARG 109 H ARG 109 5.607 -5.474 -14.877 486 HA ARG 109 HA ARG 109 4.234 -3.757 -12.931 487 HB2 ARG 109 HB2 ARG 109 4.914 -3.069 -15.238 488 HB3 ARG 109 HB3 ARG 109 3.688 -4.154 -15.906 489 HG2 ARG 109 HG2 ARG 109 1.897 -2.892 -14.824 490 HG3 ARG 109 HG3 ARG 109 3.059 -1.897 -13.939 491 HD2 ARG 109 HD2 ARG 109 2.792 -1.950 -16.974 492 HD3 ARG 109 HD3 ARG 109 2.016 -0.770 -15.898 493 HE ARG 109 HE ARG 109 4.848 -0.857 -15.388 494 HH11 ARG 109 HH11 ARG 109 2.569 0.540 -17.653 495 HH12 ARG 109 HH12 ARG 109 3.671 1.806 -18.116 496 HH21 ARG 109 HH21 ARG 109 6.203 0.772 -16.024 497 HH22 ARG 109 HH22 ARG 109 5.680 1.930 -17.206 498 H TYR 110 H TYR 110 3.391 -6.656 -14.765 499 HA TYR 110 HA TYR 110 0.845 -6.964 -13.227 500 HB2 TYR 110 HB2 TYR 110 1.370 -7.381 -16.189 501 HB3 TYR 110 HB3 TYR 110 -0.037 -7.955 -15.325 502 HD1 TYR 110 HD2 TYR 110 -1.608 -6.316 -14.200 503 HD2 TYR 110 HD1 TYR 110 1.399 -5.169 -17.077 504 HE1 TYR 110 HE2 TYR 110 -2.912 -4.264 -14.748 505 HE2 TYR 110 HE1 TYR 110 0.109 -3.104 -17.603 506 HH TYR 110 HH TYR 110 -1.787 -1.855 -17.157 507 HA PRO 111 HA PRO 111 3.488 -10.727 -12.676 508 HB2 PRO 111 HB2 PRO 111 2.711 -11.400 -10.134 509 HB3 PRO 111 HB3 PRO 111 3.924 -10.135 -10.497 510 HG2 PRO 111 HG2 PRO 111 0.961 -9.768 -9.940 511 HG3 PRO 111 HG3 PRO 111 2.342 -8.896 -9.199 512 HD2 PRO 111 HD2 PRO 111 0.949 -7.842 -11.269 513 HD3 PRO 111 HD3 PRO 111 2.726 -7.642 -11.173 514 H HIS 112 H HIS 112 0.011 -10.307 -12.585 515 HA HIS 112 HA HIS 112 -0.732 -13.054 -12.241 516 HB2 HIS 112 HB2 HIS 112 -2.902 -12.345 -12.690 517 HB3 HIS 112 HB3 HIS 112 -2.155 -10.992 -11.852 518 HD2 HIS 112 HD2 HIS 112 -3.812 -12.014 -15.091 519 HE1 HIS 112 HE1 HIS 112 -2.413 -8.057 -15.808 520 HE2 HIS 112 HE2 HIS 112 -3.826 -9.978 -16.742 521 H LEU 113 H LEU 113 0.690 -11.548 -15.018 522 HA LEU 113 HA LEU 113 -0.485 -13.319 -17.011 523 HB2 LEU 113 HB2 LEU 113 2.041 -11.608 -17.079 524 HB3 LEU 113 HB3 LEU 113 1.504 -12.608 -18.407 525 HG LEU 113 HG LEU 113 0.851 -10.437 -18.998 526 HD11 LEU 113 HD11 LEU 113 -1.697 -11.571 -17.776 527 HD12 LEU 113 HD12 LEU 113 -1.551 -10.498 -19.175 528 HD13 LEU 113 HD13 LEU 113 -0.979 -12.178 -19.281 529 HD21 LEU 113 HD21 LEU 113 1.144 -9.366 -16.964 530 HD22 LEU 113 HD22 LEU 113 -0.425 -8.924 -17.659 531 HD23 LEU 113 HD23 LEU 113 -0.349 -10.063 -16.293 532 H ARG 114 H ARG 114 1.654 -13.978 -14.476 533 HA ARG 114 HA ARG 114 2.825 -16.372 -15.806 534 HB2 ARG 114 HB2 ARG 114 3.491 -15.043 -13.149 535 HB3 ARG 114 HB3 ARG 114 4.208 -16.530 -13.779 536 HG2 ARG 114 HG2 ARG 114 4.936 -15.184 -15.831 537 HG3 ARG 114 HG3 ARG 114 4.405 -13.735 -14.961 538 HD2 ARG 114 HD2 ARG 114 6.792 -13.947 -14.680 539 HD3 ARG 114 HD3 ARG 114 6.008 -14.255 -13.135 540 HE ARG 114 HE ARG 114 6.784 -16.427 -13.154 541 HH11 ARG 114 HH11 ARG 114 7.289 -15.196 -16.410 542 HH12 ARG 114 HH12 ARG 114 8.156 -16.626 -16.896 543 HH21 ARG 114 HH21 ARG 114 7.884 -18.202 -13.857 544 HH22 ARG 114 HH22 ARG 114 8.494 -18.274 -15.483 Start of MODEL 4 1 H1 MET 1 H1 MET 1 19.135 1.483 -6.056 2 H2 MET 1 H2 MET 1 20.737 1.707 -6.272 3 H3 MET 1 H3 MET 1 20.210 0.817 -5.011 4 HA MET 1 HA MET 1 21.088 -0.641 -6.727 5 HB2 MET 1 HB2 MET 1 18.049 -0.812 -6.436 6 HB3 MET 1 HB3 MET 1 19.055 -2.066 -7.159 7 HG2 MET 1 HG2 MET 1 20.344 -2.235 -5.023 8 HG3 MET 1 HG3 MET 1 19.190 -1.132 -4.270 9 HE1 MET 1 HE1 MET 1 16.319 -2.040 -5.354 10 HE2 MET 1 HE2 MET 1 15.901 -3.228 -4.103 11 HE3 MET 1 HE3 MET 1 16.718 -1.718 -3.647 12 H ARG 2 H ARG 2 20.833 -1.570 -8.886 13 HA ARG 2 HA ARG 2 19.682 0.275 -10.961 14 HB2 ARG 2 HB2 ARG 2 22.321 -1.258 -11.085 15 HB3 ARG 2 HB3 ARG 2 21.626 -0.322 -12.402 16 HG2 ARG 2 HG2 ARG 2 22.608 0.821 -9.751 17 HG3 ARG 2 HG3 ARG 2 23.475 0.839 -11.286 18 HD2 ARG 2 HD2 ARG 2 21.650 2.199 -12.297 19 HD3 ARG 2 HD3 ARG 2 20.843 2.260 -10.715 20 HE ARG 2 HE ARG 2 23.523 3.134 -10.369 21 HH11 ARG 2 HH11 ARG 2 20.624 4.335 -11.934 22 HH12 ARG 2 HH12 ARG 2 21.123 5.999 -11.782 23 HH21 ARG 2 HH21 ARG 2 24.097 5.272 -10.207 24 HH22 ARG 2 HH22 ARG 2 23.042 6.509 -10.824 25 H GLY 3 H GLY 3 19.122 -0.725 -12.954 26 HA2 GLY 3 HA2 GLY 3 19.219 -3.498 -13.527 27 HA3 GLY 3 HA3 GLY 3 17.646 -3.164 -12.796 28 H SER 4 H SER 4 18.278 -4.034 -15.540 29 HA SER 4 HA SER 4 16.666 -2.105 -17.049 30 HB2 SER 4 HB2 SER 4 19.079 -1.283 -17.182 31 HB3 SER 4 HB3 SER 4 19.453 -2.774 -18.069 32 HG SER 4 HG SER 4 18.921 -0.973 -19.451 33 H HIS 5 H HIS 5 16.141 -2.886 -19.215 34 HA HIS 5 HA HIS 5 16.314 -5.841 -19.629 35 HB2 HIS 5 HB2 HIS 5 13.825 -4.154 -20.045 36 HB3 HIS 5 HB3 HIS 5 13.982 -5.884 -20.333 37 HD2 HIS 5 HD2 HIS 5 15.308 -6.793 -17.551 38 HE1 HIS 5 HE1 HIS 5 11.869 -5.049 -15.732 39 HE2 HIS 5 HE2 HIS 5 13.830 -6.640 -15.380 40 H HIS 6 H HIS 6 15.548 -6.412 -21.936 41 HA HIS 6 HA HIS 6 17.432 -5.139 -23.690 42 HB2 HIS 6 HB2 HIS 6 16.671 -6.805 -25.308 43 HB3 HIS 6 HB3 HIS 6 16.994 -7.528 -23.739 44 HD2 HIS 6 HD2 HIS 6 14.354 -7.326 -26.376 45 HE1 HIS 6 HE1 HIS 6 12.370 -8.993 -22.990 46 HE2 HIS 6 HE2 HIS 6 12.194 -8.553 -25.491 47 H HIS 7 H HIS 7 13.897 -4.935 -23.509 48 HA HIS 7 HA HIS 7 12.297 -3.916 -24.667 49 HB2 HIS 7 HB2 HIS 7 13.653 -1.997 -23.663 50 HB3 HIS 7 HB3 HIS 7 14.222 -1.687 -25.300 51 HD2 HIS 7 HD2 HIS 7 12.946 0.744 -24.627 52 HE1 HIS 7 HE1 HIS 7 9.053 -0.666 -25.621 53 HE2 HIS 7 HE2 HIS 7 10.446 1.412 -25.073 54 H HIS 8 H HIS 8 11.591 -2.813 -26.720 55 HA HIS 8 HA HIS 8 12.850 -3.795 -29.208 56 HB2 HIS 8 HB2 HIS 8 10.874 -5.130 -29.833 57 HB3 HIS 8 HB3 HIS 8 11.728 -5.812 -28.460 58 HD2 HIS 8 HD2 HIS 8 10.504 -5.696 -26.036 59 HE1 HIS 8 HE1 HIS 8 6.649 -4.590 -27.474 60 HE2 HIS 8 HE2 HIS 8 7.963 -5.373 -25.429 61 H HIS 9 H HIS 9 9.965 -2.348 -27.704 62 HA HIS 9 HA HIS 9 8.396 -0.906 -28.413 63 HB2 HIS 9 HB2 HIS 9 10.487 0.519 -28.081 64 HB3 HIS 9 HB3 HIS 9 10.579 0.620 -29.834 65 HD2 HIS 9 HD2 HIS 9 10.269 3.344 -29.067 66 HE1 HIS 9 HE1 HIS 9 6.038 3.084 -28.621 67 HE2 HIS 9 HE2 HIS 9 8.009 4.679 -28.845 68 H HIS 10 H HIS 10 8.363 -3.174 -29.946 69 HA HIS 10 HA HIS 10 8.117 -2.662 -32.770 70 HB2 HIS 10 HB2 HIS 10 6.938 -4.787 -30.939 71 HB3 HIS 10 HB3 HIS 10 6.700 -4.779 -32.683 72 HD2 HIS 10 HD2 HIS 10 8.498 -6.835 -30.626 73 HE1 HIS 10 HE1 HIS 10 11.443 -6.007 -33.601 74 HE2 HIS 10 HE2 HIS 10 10.772 -7.597 -31.728 75 H GLY 11 H GLY 11 5.982 -1.846 -30.161 76 HA2 GLY 11 HA2 GLY 11 3.941 -0.771 -30.108 77 HA3 GLY 11 HA3 GLY 11 4.069 -0.501 -31.843 78 H SER 12 H SER 12 1.718 -0.854 -31.730 79 HA SER 12 HA SER 12 1.119 -3.476 -32.756 80 HB2 SER 12 HB2 SER 12 0.856 -4.193 -30.473 81 HB3 SER 12 HB3 SER 12 -0.090 -2.754 -30.065 82 HG SER 12 HG SER 12 -0.832 -4.978 -31.674 83 H GLY 58 H GLY 58 -0.809 -0.893 -31.134 84 HA2 GLY 58 HA2 GLY 58 -2.456 0.518 -31.963 85 HA3 GLY 58 HA3 GLY 58 -2.153 -0.060 -33.600 86 H ALA 59 H ALA 59 -2.619 -2.838 -31.742 87 HA ALA 59 HA ALA 59 -5.374 -3.189 -32.686 88 HB1 ALA 59 HB1 ALA 59 -3.558 -5.080 -31.139 89 HB2 ALA 59 HB2 ALA 59 -5.012 -5.505 -32.061 90 HB3 ALA 59 HB3 ALA 59 -3.577 -4.919 -32.911 91 H LEU 60 H LEU 60 -6.733 -4.619 -31.019 92 HA LEU 60 HA LEU 60 -7.163 -3.031 -28.538 93 HB2 LEU 60 HB2 LEU 60 -8.838 -5.112 -30.003 94 HB3 LEU 60 HB3 LEU 60 -9.219 -4.551 -28.393 95 HG LEU 60 HG LEU 60 -10.631 -3.477 -29.980 96 HD11 LEU 60 HD11 LEU 60 -8.659 -1.408 -28.940 97 HD12 LEU 60 HD12 LEU 60 -10.367 -1.165 -29.348 98 HD13 LEU 60 HD13 LEU 60 -9.932 -2.193 -27.974 99 HD21 LEU 60 HD21 LEU 60 -9.121 -3.505 -31.966 100 HD22 LEU 60 HD22 LEU 60 -9.941 -1.958 -31.696 101 HD23 LEU 60 HD23 LEU 60 -8.232 -2.128 -31.264 102 H ALA 61 H ALA 61 -7.072 -3.926 -26.492 103 HA ALA 61 HA ALA 61 -5.727 -6.576 -26.190 104 HB1 ALA 61 HB1 ALA 61 -6.165 -4.313 -24.195 105 HB2 ALA 61 HB2 ALA 61 -5.299 -5.829 -23.881 106 HB3 ALA 61 HB3 ALA 61 -4.651 -4.671 -25.054 107 H ALA 62 H ALA 62 -6.752 -8.301 -25.243 108 HA ALA 62 HA ALA 62 -9.601 -8.052 -24.484 109 HB1 ALA 62 HB1 ALA 62 -7.770 -10.477 -24.583 110 HB2 ALA 62 HB2 ALA 62 -9.516 -10.488 -24.271 111 HB3 ALA 62 HB3 ALA 62 -8.903 -9.968 -25.854 112 H LEU 63 H LEU 63 -10.361 -8.156 -22.433 113 HA LEU 63 HA LEU 63 -8.403 -8.220 -20.173 114 HB2 LEU 63 HB2 LEU 63 -10.968 -6.610 -20.248 115 HB3 LEU 63 HB3 LEU 63 -9.705 -6.561 -19.027 116 HG LEU 63 HG LEU 63 -9.508 -5.507 -21.882 117 HD11 LEU 63 HD11 LEU 63 -9.572 -4.069 -19.200 118 HD12 LEU 63 HD12 LEU 63 -9.440 -3.312 -20.804 119 HD13 LEU 63 HD13 LEU 63 -10.920 -4.173 -20.356 120 HD21 LEU 63 HD21 LEU 63 -7.280 -6.229 -21.203 121 HD22 LEU 63 HD22 LEU 63 -7.377 -4.475 -21.172 122 HD23 LEU 63 HD23 LEU 63 -7.448 -5.382 -19.640 123 H HIS 64 H HIS 64 -9.148 -9.120 -18.193 124 HA HIS 64 HA HIS 64 -11.223 -11.202 -18.337 125 HB2 HIS 64 HB2 HIS 64 -9.686 -9.977 -16.041 126 HB3 HIS 64 HB3 HIS 64 -10.851 -11.278 -15.838 127 HD2 HIS 64 HD2 HIS 64 -7.235 -10.710 -16.371 128 HE1 HIS 64 HE1 HIS 64 -7.858 -14.816 -17.340 129 HE2 HIS 64 HE2 HIS 64 -6.097 -13.045 -16.836 130 H ALA 65 H ALA 65 -13.379 -10.990 -17.821 131 HA ALA 65 HA ALA 65 -14.396 -8.265 -17.404 132 HB1 ALA 65 HB1 ALA 65 -15.825 -10.906 -17.901 133 HB2 ALA 65 HB2 ALA 65 -16.543 -9.286 -17.987 134 HB3 ALA 65 HB3 ALA 65 -15.292 -9.757 -19.155 135 H ASP 66 H ASP 66 -13.969 -11.100 -15.388 136 HA ASP 66 HA ASP 66 -15.460 -9.891 -13.134 137 HB2 ASP 66 HB2 ASP 66 -17.079 -11.145 -14.592 138 HB3 ASP 66 HB3 ASP 66 -16.121 -12.605 -14.348 139 H GLY 67 H GLY 67 -15.340 -11.354 -11.159 140 HA2 GLY 67 HA2 GLY 67 -14.263 -12.728 -9.649 141 HA3 GLY 67 HA3 GLY 67 -13.441 -13.475 -11.003 142 HA PRO 68 HA PRO 68 -10.240 -11.685 -8.251 143 HB2 PRO 68 HB2 PRO 68 -8.034 -13.004 -9.337 144 HB3 PRO 68 HB3 PRO 68 -9.171 -13.713 -8.145 145 HG2 PRO 68 HG2 PRO 68 -9.162 -14.002 -11.161 146 HG3 PRO 68 HG3 PRO 68 -9.352 -15.283 -9.922 147 HD2 PRO 68 HD2 PRO 68 -11.486 -14.232 -11.182 148 HD3 PRO 68 HD3 PRO 68 -11.571 -14.602 -9.431 149 H HIS 69 H HIS 69 -10.052 -11.717 -11.766 150 HA HIS 69 HA HIS 69 -7.951 -9.588 -11.801 151 HB2 HIS 69 HB2 HIS 69 -8.572 -11.862 -13.681 152 HB3 HIS 69 HB3 HIS 69 -7.388 -10.607 -14.000 153 HD2 HIS 69 HD2 HIS 69 -6.332 -13.382 -13.999 154 HE1 HIS 69 HE1 HIS 69 -4.684 -12.692 -10.140 155 HE2 HIS 69 HE2 HIS 69 -4.617 -14.223 -12.171 156 H ALA 70 H ALA 70 -11.074 -9.255 -11.876 157 HA ALA 70 HA ALA 70 -11.910 -8.468 -14.398 158 HB1 ALA 70 HB1 ALA 70 -12.649 -7.209 -11.728 159 HB2 ALA 70 HB2 ALA 70 -13.591 -7.112 -13.232 160 HB3 ALA 70 HB3 ALA 70 -13.364 -8.678 -12.429 161 H GLY 71 H GLY 71 -11.310 -6.995 -15.818 162 HA2 GLY 71 HA2 GLY 71 -10.737 -4.906 -16.692 163 HA3 GLY 71 HA3 GLY 71 -10.311 -4.317 -15.089 164 H LEU 72 H LEU 72 -8.602 -7.155 -15.193 165 HA LEU 72 HA LEU 72 -6.125 -5.840 -16.075 166 HB2 LEU 72 HB2 LEU 72 -6.527 -8.711 -15.181 167 HB3 LEU 72 HB3 LEU 72 -5.009 -7.847 -15.345 168 HG LEU 72 HG LEU 72 -7.105 -7.296 -13.221 169 HD11 LEU 72 HD11 LEU 72 -4.285 -8.406 -12.958 170 HD12 LEU 72 HD12 LEU 72 -5.545 -8.329 -11.714 171 HD13 LEU 72 HD13 LEU 72 -5.696 -9.453 -13.081 172 HD21 LEU 72 HD21 LEU 72 -5.926 -5.221 -13.795 173 HD22 LEU 72 HD22 LEU 72 -5.373 -5.832 -12.231 174 HD23 LEU 72 HD23 LEU 72 -4.357 -6.054 -13.672 175 HA PRO 73 HA PRO 73 -6.060 -7.698 -20.209 176 HB2 PRO 73 HB2 PRO 73 -3.349 -8.097 -20.563 177 HB3 PRO 73 HB3 PRO 73 -4.156 -6.515 -20.742 178 HG2 PRO 73 HG2 PRO 73 -2.660 -7.634 -18.357 179 HG3 PRO 73 HG3 PRO 73 -2.560 -5.982 -19.052 180 HD2 PRO 73 HD2 PRO 73 -4.045 -6.511 -16.854 181 HD3 PRO 73 HD3 PRO 73 -4.597 -5.333 -18.072 182 H VAL 74 H VAL 74 -6.017 -9.791 -21.138 183 HA VAL 74 HA VAL 74 -5.844 -11.921 -19.155 184 HB VAL 74 HB VAL 74 -6.513 -12.217 -22.094 185 HG11 VAL 74 HG11 VAL 74 -6.977 -13.993 -19.666 186 HG12 VAL 74 HG12 VAL 74 -7.648 -14.284 -21.286 187 HG13 VAL 74 HG13 VAL 74 -5.901 -14.351 -21.035 188 HG21 VAL 74 HG21 VAL 74 -8.114 -10.691 -20.998 189 HG22 VAL 74 HG22 VAL 74 -8.867 -12.250 -21.315 190 HG23 VAL 74 HG23 VAL 74 -8.329 -11.846 -19.670 191 H THR 75 H THR 75 -4.029 -11.384 -22.273 192 HA THR 75 HA THR 75 -2.003 -13.342 -21.318 193 HB THR 75 HB THR 75 -1.419 -13.637 -23.582 194 HG1 THR 75 HG1 THR 75 -2.705 -12.387 -25.186 195 HG21 THR 75 HG21 THR 75 -4.451 -13.478 -23.604 196 HG22 THR 75 HG22 THR 75 -3.408 -14.496 -24.616 197 HG23 THR 75 HG23 THR 75 -3.514 -14.802 -22.875 198 H ARG 76 H ARG 76 0.267 -12.985 -22.035 199 HA ARG 76 HA ARG 76 1.507 -10.524 -21.304 200 HB2 ARG 76 HB2 ARG 76 2.643 -12.712 -21.503 201 HB3 ARG 76 HB3 ARG 76 2.358 -12.720 -23.246 202 HG2 ARG 76 HG2 ARG 76 3.854 -10.710 -23.473 203 HG3 ARG 76 HG3 ARG 76 4.129 -10.750 -21.724 204 HD2 ARG 76 HD2 ARG 76 5.993 -11.838 -22.875 205 HD3 ARG 76 HD3 ARG 76 5.108 -13.010 -21.928 206 HE ARG 76 HE ARG 76 4.422 -14.119 -23.842 207 HH11 ARG 76 HH11 ARG 76 6.168 -11.239 -24.901 208 HH12 ARG 76 HH12 ARG 76 5.962 -11.662 -26.580 209 HH21 ARG 76 HH21 ARG 76 4.276 -14.594 -25.995 210 HH22 ARG 76 HH22 ARG 76 4.972 -13.526 -27.175 211 H SER 77 H SER 77 0.332 -11.605 -24.506 212 HA SER 77 HA SER 77 1.162 -9.271 -25.956 213 HB2 SER 77 HB2 SER 77 -1.136 -11.168 -26.558 214 HB3 SER 77 HB3 SER 77 -0.370 -10.033 -27.688 215 HG SER 77 HG SER 77 0.489 -12.177 -27.879 216 H ASP 78 H ASP 78 -1.999 -10.063 -24.327 217 HA ASP 78 HA ASP 78 -3.254 -7.574 -24.987 218 HB2 ASP 78 HB2 ASP 78 -3.608 -9.332 -22.534 219 HB3 ASP 78 HB3 ASP 78 -4.649 -7.984 -22.969 220 H ALA 79 H ALA 79 -1.133 -8.428 -22.216 221 HA ALA 79 HA ALA 79 -1.240 -5.897 -20.897 222 HB1 ALA 79 HB1 ALA 79 0.951 -7.970 -20.911 223 HB2 ALA 79 HB2 ALA 79 0.680 -6.681 -19.700 224 HB3 ALA 79 HB3 ALA 79 -0.495 -7.995 -19.887 225 H ARG 80 H ARG 80 1.124 -7.069 -23.346 226 HA ARG 80 HA ARG 80 2.599 -4.639 -23.704 227 HB2 ARG 80 HB2 ARG 80 3.353 -6.717 -24.668 228 HB3 ARG 80 HB3 ARG 80 1.853 -6.942 -25.549 229 HG2 ARG 80 HG2 ARG 80 2.365 -5.013 -27.009 230 HG3 ARG 80 HG3 ARG 80 3.897 -4.760 -26.150 231 HD2 ARG 80 HD2 ARG 80 4.796 -6.815 -26.970 232 HD3 ARG 80 HD3 ARG 80 3.191 -7.412 -27.445 233 HE ARG 80 HE ARG 80 3.722 -5.025 -28.920 234 HH11 ARG 80 HH11 ARG 80 4.868 -8.340 -28.856 235 HH12 ARG 80 HH12 ARG 80 5.082 -8.393 -30.583 236 HH21 ARG 80 HH21 ARG 80 3.963 -5.174 -31.114 237 HH22 ARG 80 HH22 ARG 80 4.587 -6.640 -31.825 238 H VAL 81 H VAL 81 -0.529 -5.624 -25.182 239 HA VAL 81 HA VAL 81 -0.593 -3.301 -26.943 240 HB VAL 81 HB VAL 81 -2.687 -5.383 -26.219 241 HG11 VAL 81 HG11 VAL 81 -2.796 -3.159 -28.311 242 HG12 VAL 81 HG12 VAL 81 -3.913 -4.532 -28.224 243 HG13 VAL 81 HG13 VAL 81 -3.887 -3.340 -26.921 244 HG21 VAL 81 HG21 VAL 81 -0.700 -6.137 -27.609 245 HG22 VAL 81 HG22 VAL 81 -2.238 -6.223 -28.476 246 HG23 VAL 81 HG23 VAL 81 -1.106 -4.892 -28.779 247 H LEU 82 H LEU 82 -2.145 -4.091 -23.781 248 HA LEU 82 HA LEU 82 -3.527 -1.671 -23.522 249 HB2 LEU 82 HB2 LEU 82 -2.985 -3.969 -21.895 250 HB3 LEU 82 HB3 LEU 82 -2.431 -2.601 -20.953 251 HG LEU 82 HG LEU 82 -5.175 -2.954 -22.197 252 HD11 LEU 82 HD11 LEU 82 -4.210 -3.022 -19.297 253 HD12 LEU 82 HD12 LEU 82 -5.912 -3.079 -19.801 254 HD13 LEU 82 HD13 LEU 82 -4.818 -4.394 -20.255 255 HD21 LEU 82 HD21 LEU 82 -4.634 -0.562 -22.109 256 HD22 LEU 82 HD22 LEU 82 -5.788 -0.933 -20.828 257 HD23 LEU 82 HD23 LEU 82 -4.061 -0.722 -20.438 258 H ILE 83 H ILE 83 -0.190 -2.459 -22.375 259 HA ILE 83 HA ILE 83 0.462 0.112 -21.355 260 HB ILE 83 HB ILE 83 2.171 -2.074 -22.598 261 HG12 ILE 83 HG12 ILE 83 2.015 -1.134 -19.699 262 HG13 ILE 83 HG13 ILE 83 0.941 -2.371 -20.337 263 HG21 ILE 83 HG21 ILE 83 3.050 0.600 -21.424 264 HG22 ILE 83 HG22 ILE 83 4.126 -0.794 -21.488 265 HG23 ILE 83 HG23 ILE 83 3.501 -0.121 -22.987 266 HD11 ILE 83 HD11 ILE 83 3.974 -2.581 -20.170 267 HD12 ILE 83 HD12 ILE 83 2.766 -3.472 -19.232 268 HD13 ILE 83 HD13 ILE 83 2.913 -3.762 -20.976 269 H PHE 84 H PHE 84 0.900 -1.168 -24.697 270 HA PHE 84 HA PHE 84 2.029 1.199 -25.741 271 HB2 PHE 84 HB2 PHE 84 2.079 -1.038 -26.815 272 HB3 PHE 84 HB3 PHE 84 0.366 -0.897 -27.186 273 HD1 PHE 84 HD1 PHE 84 3.640 0.887 -27.626 274 HD2 PHE 84 HD2 PHE 84 -0.322 0.230 -29.182 275 HE1 PHE 84 HE1 PHE 84 4.246 2.137 -29.664 276 HE2 PHE 84 HE2 PHE 84 0.286 1.497 -31.245 277 HZ PHE 84 HZ PHE 84 2.573 2.435 -31.495 278 H ASN 85 H ASN 85 -1.479 0.201 -25.967 279 HA ASN 85 HA ASN 85 -2.114 2.664 -27.309 280 HB2 ASN 85 HB2 ASN 85 -3.339 0.509 -27.556 281 HB3 ASN 85 HB3 ASN 85 -3.986 0.711 -25.923 282 HD21 ASN 85 HD22 ASN 85 -3.623 2.695 -28.960 283 HD22 ASN 85 HD21 ASN 85 -5.290 3.272 -28.897 284 H ASP 86 H ASP 86 -2.246 1.776 -23.862 285 HA ASP 86 HA ASP 86 -3.460 4.211 -22.920 286 HB2 ASP 86 HB2 ASP 86 -3.137 2.214 -21.502 287 HB3 ASP 86 HB3 ASP 86 -1.382 2.421 -21.607 288 H TRP 87 H TRP 87 0.009 3.350 -23.597 289 HA TRP 87 HA TRP 87 1.028 5.970 -23.046 290 HB2 TRP 87 HB2 TRP 87 2.574 4.210 -23.138 291 HB3 TRP 87 HB3 TRP 87 2.019 3.662 -24.705 292 HD1 TRP 87 HD1 TRP 87 4.132 6.491 -23.164 293 HE1 TRP 87 HE1 TRP 87 5.798 7.283 -24.962 294 HE3 TRP 87 HE3 TRP 87 2.148 4.138 -27.281 295 HZ2 TRP 87 HZ2 TRP 87 6.352 6.760 -27.714 296 HZ3 TRP 87 HZ3 TRP 87 3.199 4.430 -29.505 297 HH2 TRP 87 HH2 TRP 87 5.330 5.678 -29.739 298 H GLU 88 H GLU 88 -0.254 4.617 -26.170 299 HA GLU 88 HA GLU 88 0.284 6.941 -27.723 300 HB2 GLU 88 HB2 GLU 88 -2.102 5.046 -27.897 301 HB3 GLU 88 HB3 GLU 88 -1.722 6.286 -29.080 302 HG2 GLU 88 HG2 GLU 88 0.402 5.192 -29.620 303 HG3 GLU 88 HG3 GLU 88 0.055 3.909 -28.463 304 H GLU 89 H GLU 89 -2.614 6.290 -25.608 305 HA GLU 89 HA GLU 89 -3.909 8.805 -26.173 306 HB2 GLU 89 HB2 GLU 89 -4.920 6.670 -25.280 307 HB3 GLU 89 HB3 GLU 89 -4.059 6.943 -23.767 308 HG2 GLU 89 HG2 GLU 89 -6.241 7.669 -23.436 309 HG3 GLU 89 HG3 GLU 89 -5.271 9.137 -23.555 310 H ARG 90 H ARG 90 -1.824 7.733 -23.436 311 HA ARG 90 HA ARG 90 -1.750 10.260 -22.083 312 HB2 ARG 90 HB2 ARG 90 0.164 7.889 -22.121 313 HB3 ARG 90 HB3 ARG 90 0.364 9.262 -21.055 314 HG2 ARG 90 HG2 ARG 90 -2.151 7.546 -21.042 315 HG3 ARG 90 HG3 ARG 90 -0.741 7.221 -20.039 316 HD2 ARG 90 HD2 ARG 90 -2.461 9.725 -19.959 317 HD3 ARG 90 HD3 ARG 90 -2.475 8.409 -18.790 318 HE ARG 90 HE ARG 90 -0.085 8.952 -18.267 319 HH11 ARG 90 HH11 ARG 90 -2.216 11.553 -19.282 320 HH12 ARG 90 HH12 ARG 90 -1.079 12.778 -18.741 321 HH21 ARG 90 HH21 ARG 90 1.299 10.621 -17.658 322 HH22 ARG 90 HH22 ARG 90 0.863 12.275 -18.040 323 H LYS 91 H LYS 91 0.329 9.020 -24.691 324 HA LYS 91 HA LYS 91 2.165 11.239 -24.760 325 HB2 LYS 91 HB2 LYS 91 2.620 9.007 -25.754 326 HB3 LYS 91 HB3 LYS 91 1.359 9.300 -26.966 327 HG2 LYS 91 HG2 LYS 91 2.689 11.321 -27.739 328 HG3 LYS 91 HG3 LYS 91 3.954 10.861 -26.583 329 HD2 LYS 91 HD2 LYS 91 4.156 8.659 -27.764 330 HD3 LYS 91 HD3 LYS 91 2.913 9.183 -28.916 331 HE2 LYS 91 HE2 LYS 91 4.346 11.161 -29.516 332 HE3 LYS 91 HE3 LYS 91 5.607 10.552 -28.439 333 HZ1 LYS 91 HZ1 LYS 91 4.571 9.118 -30.845 334 HZ2 LYS 91 HZ2 LYS 91 6.000 9.895 -30.756 335 HZ3 LYS 91 HZ3 LYS 91 5.755 8.555 -29.858 336 H ARG 92 H ARG 92 -0.886 10.584 -26.577 337 HA ARG 92 HA ARG 92 -0.845 13.093 -28.015 338 HB2 ARG 92 HB2 ARG 92 -3.059 11.149 -27.281 339 HB3 ARG 92 HB3 ARG 92 -3.380 12.650 -28.159 340 HG2 ARG 92 HG2 ARG 92 -1.871 12.048 -29.955 341 HG3 ARG 92 HG3 ARG 92 -1.333 10.592 -29.117 342 HD2 ARG 92 HD2 ARG 92 -4.202 11.111 -29.990 343 HD3 ARG 92 HD3 ARG 92 -3.013 10.210 -30.951 344 HE ARG 92 HE ARG 92 -2.935 8.938 -28.511 345 HH11 ARG 92 HH11 ARG 92 -5.517 9.564 -30.808 346 HH12 ARG 92 HH12 ARG 92 -6.421 8.150 -30.353 347 HH21 ARG 92 HH21 ARG 92 -4.169 7.081 -27.984 348 HH22 ARG 92 HH22 ARG 92 -5.685 6.815 -28.783 349 H SER 93 H SER 93 -2.031 12.369 -24.717 350 HA SER 93 HA SER 93 -2.850 15.128 -24.257 351 HB2 SER 93 HB2 SER 93 -2.112 12.937 -22.288 352 HB3 SER 93 HB3 SER 93 -2.815 14.511 -21.866 353 HG SER 93 HG SER 93 -4.457 12.923 -22.078 354 H GLU 94 H GLU 94 0.192 13.370 -23.532 355 HA GLU 94 HA GLU 94 1.604 15.911 -22.811 356 HB2 GLU 94 HB2 GLU 94 1.363 13.288 -21.316 357 HB3 GLU 94 HB3 GLU 94 2.691 14.413 -21.049 358 HG2 GLU 94 HG2 GLU 94 1.232 16.140 -20.265 359 HG3 GLU 94 HG3 GLU 94 -0.199 15.306 -20.859 360 HA PRO 95 HA PRO 95 3.661 13.811 -26.184 361 HB2 PRO 95 HB2 PRO 95 5.351 15.775 -27.101 362 HB3 PRO 95 HB3 PRO 95 3.574 15.812 -27.300 363 HG2 PRO 95 HG2 PRO 95 5.225 17.143 -25.121 364 HG3 PRO 95 HG3 PRO 95 3.973 17.890 -26.170 365 HD2 PRO 95 HD2 PRO 95 3.360 17.016 -23.687 366 HD3 PRO 95 HD3 PRO 95 2.220 16.746 -25.044 367 H TRP 96 H TRP 96 5.396 14.667 -23.358 368 HA TRP 96 HA TRP 96 8.046 13.762 -24.171 369 HB2 TRP 96 HB2 TRP 96 8.527 14.125 -21.748 370 HB3 TRP 96 HB3 TRP 96 7.862 15.511 -22.586 371 HD1 TRP 96 HD1 TRP 96 6.469 12.623 -20.380 372 HE1 TRP 96 HE1 TRP 96 4.613 13.576 -18.864 373 HE3 TRP 96 HE3 TRP 96 6.330 17.431 -22.165 374 HZ2 TRP 96 HZ2 TRP 96 3.255 16.087 -18.483 375 HZ3 TRP 96 HZ3 TRP 96 4.705 19.067 -21.240 376 HH2 TRP 96 HH2 TRP 96 3.173 18.412 -19.397 377 H LEU 97 H LEU 97 5.312 11.941 -23.556 378 HA LEU 97 HA LEU 97 6.032 10.264 -21.505 379 HB2 LEU 97 HB2 LEU 97 3.814 10.597 -23.008 380 HB3 LEU 97 HB3 LEU 97 4.378 9.145 -23.768 381 HG LEU 97 HG LEU 97 2.989 8.247 -22.194 382 HD11 LEU 97 HD11 LEU 97 5.335 8.613 -20.269 383 HD12 LEU 97 HD12 LEU 97 4.076 7.370 -20.223 384 HD13 LEU 97 HD13 LEU 97 5.267 7.344 -21.520 385 HD21 LEU 97 HD21 LEU 97 2.330 10.415 -21.276 386 HD22 LEU 97 HD22 LEU 97 2.512 9.163 -20.024 387 HD23 LEU 97 HD23 LEU 97 3.766 10.417 -20.228 388 H ARG 98 H ARG 98 7.666 8.833 -21.228 389 HA ARG 98 HA ARG 98 8.930 7.480 -23.515 390 HB2 ARG 98 HB2 ARG 98 10.102 8.549 -21.440 391 HB3 ARG 98 HB3 ARG 98 9.613 7.107 -20.575 392 HG2 ARG 98 HG2 ARG 98 11.602 7.389 -22.850 393 HG3 ARG 98 HG3 ARG 98 11.869 6.811 -21.204 394 HD2 ARG 98 HD2 ARG 98 10.169 4.917 -21.932 395 HD3 ARG 98 HD3 ARG 98 10.680 5.355 -23.573 396 HE ARG 98 HE ARG 98 11.964 3.748 -21.616 397 HH11 ARG 98 HH11 ARG 98 13.072 5.993 -24.110 398 HH12 ARG 98 HH12 ARG 98 14.427 4.971 -24.493 399 HH21 ARG 98 HH21 ARG 98 13.452 2.501 -22.262 400 HH22 ARG 98 HH22 ARG 98 14.725 3.022 -23.370 401 H LEU 99 H LEU 99 8.423 5.544 -24.227 402 HA LEU 99 HA LEU 99 6.663 3.705 -22.703 403 HB2 LEU 99 HB2 LEU 99 6.062 4.409 -24.921 404 HB3 LEU 99 HB3 LEU 99 7.575 3.875 -25.600 405 HG LEU 99 HG LEU 99 5.613 2.534 -26.176 406 HD11 LEU 99 HD11 LEU 99 7.455 0.791 -24.506 407 HD12 LEU 99 HD12 LEU 99 6.673 0.442 -26.051 408 HD13 LEU 99 HD13 LEU 99 7.998 1.597 -26.004 409 HD21 LEU 99 HD21 LEU 99 4.361 2.681 -24.067 410 HD22 LEU 99 HD22 LEU 99 4.533 1.035 -24.686 411 HD23 LEU 99 HD23 LEU 99 5.522 1.568 -23.304 412 H ASP 100 H ASP 100 7.520 2.062 -21.581 413 HA ASP 100 HA ASP 100 9.750 0.473 -22.756 414 HB2 ASP 100 HB2 ASP 100 9.367 1.040 -19.802 415 HB3 ASP 100 HB3 ASP 100 10.422 -0.199 -20.466 416 H MET 101 H MET 101 9.127 -1.655 -23.089 417 HA MET 101 HA MET 101 7.102 -2.897 -21.416 418 HB2 MET 101 HB2 MET 101 5.400 -3.337 -23.053 419 HB3 MET 101 HB3 MET 101 5.628 -1.614 -22.831 420 HG2 MET 101 HG2 MET 101 6.895 -1.487 -24.942 421 HG3 MET 101 HG3 MET 101 6.589 -3.205 -25.206 422 HE1 MET 101 HE1 MET 101 5.836 -2.316 -27.538 423 HE2 MET 101 HE2 MET 101 4.185 -1.742 -27.862 424 HE3 MET 101 HE3 MET 101 5.422 -0.589 -27.339 425 H SER 102 H SER 102 9.656 -3.553 -21.655 426 HA SER 102 HA SER 102 10.207 -5.848 -23.326 427 HB2 SER 102 HB2 SER 102 11.162 -5.053 -20.546 428 HB3 SER 102 HB3 SER 102 11.818 -6.413 -21.489 429 HG SER 102 HG SER 102 11.986 -3.632 -22.024 430 H ASP 103 H ASP 103 9.876 -8.095 -22.863 431 HA ASP 103 HA ASP 103 7.474 -8.827 -21.613 432 HB2 ASP 103 HB2 ASP 103 9.924 -10.559 -22.107 433 HB3 ASP 103 HB3 ASP 103 8.282 -11.145 -21.829 434 H LYS 104 H LYS 104 10.721 -8.740 -20.179 435 HA LYS 104 HA LYS 104 10.028 -9.853 -17.593 436 HB2 LYS 104 HB2 LYS 104 12.256 -7.996 -18.539 437 HB3 LYS 104 HB3 LYS 104 12.043 -8.425 -16.846 438 HG2 LYS 104 HG2 LYS 104 13.713 -9.836 -17.746 439 HG3 LYS 104 HG3 LYS 104 12.294 -10.806 -17.347 440 HD2 LYS 104 HD2 LYS 104 11.718 -11.032 -19.718 441 HD3 LYS 104 HD3 LYS 104 12.946 -9.833 -20.161 442 HE2 LYS 104 HE2 LYS 104 13.817 -11.991 -20.706 443 HE3 LYS 104 HE3 LYS 104 14.735 -11.348 -19.346 444 HZ1 LYS 104 HZ1 LYS 104 12.549 -13.372 -19.122 445 HZ2 LYS 104 HZ2 LYS 104 14.143 -13.697 -19.033 446 HZ3 LYS 104 HZ3 LYS 104 13.441 -12.810 -17.863 447 H ALA 105 H ALA 105 9.916 -6.476 -18.816 448 HA ALA 105 HA ALA 105 9.027 -5.327 -16.334 449 HB1 ALA 105 HB1 ALA 105 8.594 -4.324 -19.183 450 HB2 ALA 105 HB2 ALA 105 8.458 -3.380 -17.690 451 HB3 ALA 105 HB3 ALA 105 10.035 -4.019 -18.185 452 H ILE 106 H ILE 106 7.226 -6.694 -19.122 453 HA ILE 106 HA ILE 106 4.555 -6.193 -18.144 454 HB ILE 106 HB ILE 106 5.595 -8.395 -19.954 455 HG12 ILE 106 HG12 ILE 106 4.163 -5.772 -20.590 456 HG13 ILE 106 HG13 ILE 106 5.900 -5.985 -20.723 457 HG21 ILE 106 HG21 ILE 106 2.741 -7.479 -19.360 458 HG22 ILE 106 HG22 ILE 106 3.190 -8.593 -20.661 459 HG23 ILE 106 HG23 ILE 106 3.433 -9.078 -18.983 460 HD11 ILE 106 HD11 ILE 106 3.797 -7.379 -22.405 461 HD12 ILE 106 HD12 ILE 106 4.998 -6.181 -22.908 462 HD13 ILE 106 HD13 ILE 106 5.527 -7.800 -22.418 463 H PHE 107 H PHE 107 6.614 -9.157 -17.662 464 HA PHE 107 HA PHE 107 4.713 -10.255 -15.801 465 HB2 PHE 107 HB2 PHE 107 7.649 -10.863 -16.280 466 HB3 PHE 107 HB3 PHE 107 6.606 -11.809 -15.229 467 HD1 PHE 107 HD1 PHE 107 4.138 -12.277 -16.553 468 HD2 PHE 107 HD2 PHE 107 8.078 -12.027 -18.283 469 HE1 PHE 107 HE1 PHE 107 3.436 -13.814 -18.373 470 HE2 PHE 107 HE2 PHE 107 7.363 -13.533 -20.122 471 HZ PHE 107 HZ PHE 107 5.049 -14.460 -20.144 472 H ARG 108 H ARG 108 7.478 -8.082 -15.188 473 HA ARG 108 HA ARG 108 7.317 -8.400 -12.287 474 HB2 ARG 108 HB2 ARG 108 8.696 -6.381 -14.098 475 HB3 ARG 108 HB3 ARG 108 8.776 -6.277 -12.349 476 HG2 ARG 108 HG2 ARG 108 9.664 -8.746 -13.906 477 HG3 ARG 108 HG3 ARG 108 10.746 -7.425 -13.479 478 HD2 ARG 108 HD2 ARG 108 9.204 -9.136 -11.482 479 HD3 ARG 108 HD3 ARG 108 10.890 -9.376 -11.955 480 HE ARG 108 HE ARG 108 10.736 -6.712 -11.102 481 HH11 ARG 108 HH11 ARG 108 10.331 -9.849 -9.591 482 HH12 ARG 108 HH12 ARG 108 10.807 -9.259 -8.024 483 HH21 ARG 108 HH21 ARG 108 11.317 -6.018 -9.071 484 HH22 ARG 108 HH22 ARG 108 11.358 -7.143 -7.746 485 H ARG 109 H ARG 109 5.976 -5.949 -14.520 486 HA ARG 109 HA ARG 109 4.731 -4.430 -12.345 487 HB2 ARG 109 HB2 ARG 109 5.488 -3.433 -14.491 488 HB3 ARG 109 HB3 ARG 109 4.231 -4.330 -15.354 489 HG2 ARG 109 HG2 ARG 109 2.468 -3.146 -14.174 490 HG3 ARG 109 HG3 ARG 109 3.626 -2.375 -13.083 491 HD2 ARG 109 HD2 ARG 109 3.576 -1.944 -16.099 492 HD3 ARG 109 HD3 ARG 109 2.737 -0.913 -14.923 493 HE ARG 109 HE ARG 109 5.458 -1.118 -14.121 494 HH11 ARG 109 HH11 ARG 109 3.609 0.441 -16.656 495 HH12 ARG 109 HH12 ARG 109 4.774 1.721 -16.847 496 HH21 ARG 109 HH21 ARG 109 6.912 0.531 -14.421 497 HH22 ARG 109 HH22 ARG 109 6.599 1.764 -15.604 498 H TYR 110 H TYR 110 3.633 -6.922 -14.609 499 HA TYR 110 HA TYR 110 1.084 -7.218 -13.071 500 HB2 TYR 110 HB2 TYR 110 1.569 -7.442 -16.058 501 HB3 TYR 110 HB3 TYR 110 0.135 -7.979 -15.217 502 HD1 TYR 110 HD2 TYR 110 -1.402 -6.403 -14.088 503 HD2 TYR 110 HD1 TYR 110 1.847 -5.095 -16.609 504 HE1 TYR 110 HE2 TYR 110 -2.560 -4.228 -14.447 505 HE2 TYR 110 HE1 TYR 110 0.713 -2.899 -16.930 506 HH TYR 110 HH TYR 110 -1.139 -1.605 -16.446 507 HA PRO 111 HA PRO 111 3.489 -11.170 -12.788 508 HB2 PRO 111 HB2 PRO 111 2.749 -11.901 -10.251 509 HB3 PRO 111 HB3 PRO 111 4.050 -10.723 -10.600 510 HG2 PRO 111 HG2 PRO 111 1.150 -10.141 -9.916 511 HG3 PRO 111 HG3 PRO 111 2.624 -9.424 -9.186 512 HD2 PRO 111 HD2 PRO 111 1.262 -8.153 -11.150 513 HD3 PRO 111 HD3 PRO 111 3.050 -8.112 -11.111 514 H HIS 112 H HIS 112 0.074 -10.459 -12.564 515 HA HIS 112 HA HIS 112 -0.909 -13.136 -12.326 516 HB2 HIS 112 HB2 HIS 112 -3.003 -12.224 -12.694 517 HB3 HIS 112 HB3 HIS 112 -2.130 -10.943 -11.867 518 HD2 HIS 112 HD2 HIS 112 -3.923 -11.823 -15.080 519 HE1 HIS 112 HE1 HIS 112 -2.256 -7.975 -15.811 520 HE2 HIS 112 HE2 HIS 112 -3.813 -9.787 -16.729 521 H LEU 113 H LEU 113 0.603 -11.634 -15.069 522 HA LEU 113 HA LEU 113 -0.758 -13.181 -17.114 523 HB2 LEU 113 HB2 LEU 113 1.922 -11.725 -17.148 524 HB3 LEU 113 HB3 LEU 113 1.269 -12.596 -18.516 525 HG LEU 113 HG LEU 113 0.800 -10.375 -19.004 526 HD11 LEU 113 HD11 LEU 113 -1.796 -11.237 -17.668 527 HD12 LEU 113 HD12 LEU 113 -1.600 -10.190 -19.082 528 HD13 LEU 113 HD13 LEU 113 -1.229 -11.925 -19.193 529 HD21 LEU 113 HD21 LEU 113 1.308 -9.373 -16.993 530 HD22 LEU 113 HD22 LEU 113 -0.267 -8.786 -17.557 531 HD23 LEU 113 HD23 LEU 113 -0.187 -9.968 -16.226 532 H ARG 114 H ARG 114 1.365 -14.203 -14.685 533 HA ARG 114 HA ARG 114 1.889 -16.755 -16.143 534 HB2 ARG 114 HB2 ARG 114 3.538 -15.285 -14.083 535 HB3 ARG 114 HB3 ARG 114 3.613 -17.052 -14.192 536 HG2 ARG 114 HG2 ARG 114 4.236 -16.977 -16.535 537 HG3 ARG 114 HG3 ARG 114 4.005 -15.231 -16.586 538 HD2 ARG 114 HD2 ARG 114 5.874 -14.880 -15.054 539 HD3 ARG 114 HD3 ARG 114 6.103 -16.621 -14.877 540 HE ARG 114 HE ARG 114 6.781 -14.925 -17.206 541 HH11 ARG 114 HH11 ARG 114 6.548 -18.240 -16.070 542 HH12 ARG 114 HH12 ARG 114 7.518 -18.851 -17.380 543 HH21 ARG 114 HH21 ARG 114 8.035 -15.780 -18.830 544 HH22 ARG 114 HH22 ARG 114 8.336 -17.492 -18.894 Start of MODEL 5 1 H1 MET 1 H1 MET 1 24.709 2.876 -5.797 2 H2 MET 1 H2 MET 1 25.240 4.298 -5.207 3 H3 MET 1 H3 MET 1 25.990 3.617 -6.494 4 HA MET 1 HA MET 1 23.215 4.661 -6.480 5 HB2 MET 1 HB2 MET 1 25.704 5.775 -7.862 6 HB3 MET 1 HB3 MET 1 24.052 6.313 -8.163 7 HG2 MET 1 HG2 MET 1 23.833 7.026 -5.804 8 HG3 MET 1 HG3 MET 1 25.503 6.524 -5.498 9 HE1 MET 1 HE1 MET 1 26.150 8.838 -4.495 10 HE2 MET 1 HE2 MET 1 25.827 10.393 -5.292 11 HE3 MET 1 HE3 MET 1 24.473 9.392 -4.724 12 H ARG 2 H ARG 2 21.901 3.578 -7.827 13 HA ARG 2 HA ARG 2 22.881 2.527 -10.440 14 HB2 ARG 2 HB2 ARG 2 21.368 0.889 -8.349 15 HB3 ARG 2 HB3 ARG 2 21.553 0.421 -10.040 16 HG2 ARG 2 HG2 ARG 2 24.027 0.387 -9.767 17 HG3 ARG 2 HG3 ARG 2 23.825 0.767 -8.043 18 HD2 ARG 2 HD2 ARG 2 22.495 -1.290 -7.736 19 HD3 ARG 2 HD3 ARG 2 22.713 -1.688 -9.455 20 HE ARG 2 HE ARG 2 25.292 -1.298 -8.387 21 HH11 ARG 2 HH11 ARG 2 22.701 -3.610 -7.903 22 HH12 ARG 2 HH12 ARG 2 23.794 -4.873 -7.408 23 HH21 ARG 2 HH21 ARG 2 26.632 -2.950 -7.743 24 HH22 ARG 2 HH22 ARG 2 25.968 -4.501 -7.325 25 H GLY 3 H GLY 3 21.244 2.196 -11.992 26 HA2 GLY 3 HA2 GLY 3 18.489 2.362 -11.715 27 HA3 GLY 3 HA3 GLY 3 18.996 4.037 -11.929 28 H SER 4 H SER 4 17.298 2.622 -13.692 29 HA SER 4 HA SER 4 18.657 3.165 -16.222 30 HB2 SER 4 HB2 SER 4 19.188 0.756 -15.833 31 HB3 SER 4 HB3 SER 4 17.450 0.408 -15.745 32 HG SER 4 HG SER 4 18.385 0.076 -17.868 33 H HIS 5 H HIS 5 17.218 3.549 -17.929 34 HA HIS 5 HA HIS 5 14.301 3.709 -17.288 35 HB2 HIS 5 HB2 HIS 5 15.993 5.975 -18.401 36 HB3 HIS 5 HB3 HIS 5 14.252 6.012 -18.122 37 HD2 HIS 5 HD2 HIS 5 13.486 5.626 -15.410 38 HE1 HIS 5 HE1 HIS 5 17.029 7.471 -13.908 39 HE2 HIS 5 HE2 HIS 5 14.669 6.715 -13.319 40 H HIS 6 H HIS 6 15.952 1.943 -19.165 41 HA HIS 6 HA HIS 6 14.054 2.177 -21.404 42 HB2 HIS 6 HB2 HIS 6 15.914 3.570 -22.175 43 HB3 HIS 6 HB3 HIS 6 17.052 2.255 -21.870 44 HD2 HIS 6 HD2 HIS 6 13.877 2.932 -24.055 45 HE1 HIS 6 HE1 HIS 6 16.243 0.043 -26.118 46 HE2 HIS 6 HE2 HIS 6 14.128 1.444 -26.221 47 H HIS 7 H HIS 7 13.270 0.244 -21.886 48 HA HIS 7 HA HIS 7 15.107 -2.028 -22.248 49 HB2 HIS 7 HB2 HIS 7 14.025 -2.053 -19.870 50 HB3 HIS 7 HB3 HIS 7 12.546 -2.520 -20.703 51 HD2 HIS 7 HD2 HIS 7 13.754 -4.502 -18.653 52 HE1 HIS 7 HE1 HIS 7 15.559 -6.643 -21.872 53 HE2 HIS 7 HE2 HIS 7 14.912 -6.743 -19.409 54 H HIS 8 H HIS 8 14.500 -3.458 -23.804 55 HA HIS 8 HA HIS 8 13.766 -3.988 -25.886 56 HB2 HIS 8 HB2 HIS 8 12.170 -5.049 -24.276 57 HB3 HIS 8 HB3 HIS 8 11.004 -3.774 -24.652 58 HD2 HIS 8 HD2 HIS 8 13.009 -6.633 -26.404 59 HE1 HIS 8 HE1 HIS 8 9.484 -5.980 -28.709 60 HE2 HIS 8 HE2 HIS 8 11.562 -7.423 -28.458 61 H HIS 9 H HIS 9 11.109 -3.161 -27.083 62 HA HIS 9 HA HIS 9 11.749 -0.386 -27.942 63 HB2 HIS 9 HB2 HIS 9 12.985 -2.025 -29.379 64 HB3 HIS 9 HB3 HIS 9 11.441 -2.758 -29.824 65 HD2 HIS 9 HD2 HIS 9 10.911 -2.000 -32.247 66 HE1 HIS 9 HE1 HIS 9 11.993 2.119 -32.000 67 HE2 HIS 9 HE2 HIS 9 11.017 0.313 -33.507 68 H HIS 10 H HIS 10 10.067 0.564 -29.297 69 HA HIS 10 HA HIS 10 7.441 0.060 -28.144 70 HB2 HIS 10 HB2 HIS 10 6.781 2.116 -29.137 71 HB3 HIS 10 HB3 HIS 10 8.383 2.336 -28.475 72 HD2 HIS 10 HD2 HIS 10 10.019 3.580 -30.030 73 HE1 HIS 10 HE1 HIS 10 8.113 2.924 -33.790 74 HE2 HIS 10 HE2 HIS 10 10.023 4.126 -32.610 75 H GLY 11 H GLY 11 5.526 0.453 -29.813 76 HA2 GLY 11 HA2 GLY 11 4.432 -0.222 -31.776 77 HA3 GLY 11 HA3 GLY 11 5.703 -1.373 -32.142 78 H SER 12 H SER 12 2.620 -1.254 -31.532 79 HA SER 12 HA SER 12 2.394 -4.064 -30.944 80 HB2 SER 12 HB2 SER 12 2.446 -2.878 -28.619 81 HB3 SER 12 HB3 SER 12 0.852 -2.247 -29.067 82 HG SER 12 HG SER 12 1.654 -4.996 -28.875 83 H GLY 58 H GLY 58 -0.258 -4.458 -30.825 84 HA2 GLY 58 HA2 GLY 58 -1.816 -2.643 -32.483 85 HA3 GLY 58 HA3 GLY 58 -1.197 -4.000 -33.419 86 H ALA 59 H ALA 59 -3.773 -3.729 -33.447 87 HA ALA 59 HA ALA 59 -5.841 -4.496 -33.034 88 HB1 ALA 59 HB1 ALA 59 -4.558 -6.891 -31.677 89 HB2 ALA 59 HB2 ALA 59 -6.158 -6.801 -32.434 90 HB3 ALA 59 HB3 ALA 59 -4.708 -6.685 -33.438 91 H LEU 60 H LEU 60 -7.241 -5.639 -31.044 92 HA LEU 60 HA LEU 60 -7.115 -3.637 -28.852 93 HB2 LEU 60 HB2 LEU 60 -9.218 -5.721 -29.562 94 HB3 LEU 60 HB3 LEU 60 -9.352 -4.541 -28.263 95 HG LEU 60 HG LEU 60 -9.204 -3.874 -31.239 96 HD11 LEU 60 HD11 LEU 60 -11.523 -3.756 -29.264 97 HD12 LEU 60 HD12 LEU 60 -11.565 -3.249 -30.969 98 HD13 LEU 60 HD13 LEU 60 -11.317 -4.955 -30.561 99 HD21 LEU 60 HD21 LEU 60 -8.264 -2.027 -29.922 100 HD22 LEU 60 HD22 LEU 60 -9.867 -1.587 -30.512 101 HD23 LEU 60 HD23 LEU 60 -9.659 -2.074 -28.815 102 H ALA 61 H ALA 61 -7.093 -4.206 -26.646 103 HA ALA 61 HA ALA 61 -5.822 -6.798 -25.987 104 HB1 ALA 61 HB1 ALA 61 -6.478 -4.374 -24.268 105 HB2 ALA 61 HB2 ALA 61 -5.613 -5.824 -23.728 106 HB3 ALA 61 HB3 ALA 61 -4.889 -4.779 -24.959 107 H ALA 62 H ALA 62 -6.886 -8.497 -25.116 108 HA ALA 62 HA ALA 62 -9.749 -8.276 -24.390 109 HB1 ALA 62 HB1 ALA 62 -7.871 -10.669 -24.414 110 HB2 ALA 62 HB2 ALA 62 -9.618 -10.709 -24.108 111 HB3 ALA 62 HB3 ALA 62 -9.009 -10.218 -25.702 112 H LEU 63 H LEU 63 -10.539 -8.496 -22.321 113 HA LEU 63 HA LEU 63 -8.594 -8.470 -20.053 114 HB2 LEU 63 HB2 LEU 63 -11.240 -6.994 -20.149 115 HB3 LEU 63 HB3 LEU 63 -10.044 -6.944 -18.862 116 HG LEU 63 HG LEU 63 -9.736 -5.757 -21.654 117 HD11 LEU 63 HD11 LEU 63 -10.047 -4.441 -18.926 118 HD12 LEU 63 HD12 LEU 63 -9.863 -3.611 -20.487 119 HD13 LEU 63 HD13 LEU 63 -11.315 -4.568 -20.166 120 HD21 LEU 63 HD21 LEU 63 -7.525 -6.364 -20.898 121 HD22 LEU 63 HD22 LEU 63 -7.733 -4.626 -20.710 122 HD23 LEU 63 HD23 LEU 63 -7.835 -5.675 -19.278 123 H HIS 64 H HIS 64 -9.307 -9.445 -18.092 124 HA HIS 64 HA HIS 64 -11.342 -11.576 -18.282 125 HB2 HIS 64 HB2 HIS 64 -9.805 -10.421 -15.947 126 HB3 HIS 64 HB3 HIS 64 -10.928 -11.764 -15.811 127 HD2 HIS 64 HD2 HIS 64 -7.331 -11.050 -16.369 128 HE1 HIS 64 HE1 HIS 64 -7.836 -15.137 -17.471 129 HE2 HIS 64 HE2 HIS 64 -6.126 -13.329 -16.932 130 H ALA 65 H ALA 65 -13.486 -11.419 -17.671 131 HA ALA 65 HA ALA 65 -14.524 -8.714 -17.157 132 HB1 ALA 65 HB1 ALA 65 -15.936 -11.352 -17.705 133 HB2 ALA 65 HB2 ALA 65 -16.673 -9.739 -17.715 134 HB3 ALA 65 HB3 ALA 65 -15.450 -10.154 -18.933 135 H ASP 66 H ASP 66 -13.980 -11.583 -15.236 136 HA ASP 66 HA ASP 66 -15.446 -10.472 -12.916 137 HB2 ASP 66 HB2 ASP 66 -16.850 -12.380 -12.673 138 HB3 ASP 66 HB3 ASP 66 -17.069 -11.775 -14.302 139 H GLY 67 H GLY 67 -15.274 -11.987 -10.974 140 HA2 GLY 67 HA2 GLY 67 -14.131 -13.337 -9.499 141 HA3 GLY 67 HA3 GLY 67 -13.309 -14.034 -10.879 142 HA PRO 68 HA PRO 68 -10.100 -12.179 -8.163 143 HB2 PRO 68 HB2 PRO 68 -7.889 -13.431 -9.322 144 HB3 PRO 68 HB3 PRO 68 -8.968 -14.176 -8.099 145 HG2 PRO 68 HG2 PRO 68 -9.040 -14.454 -11.114 146 HG3 PRO 68 HG3 PRO 68 -9.159 -15.746 -9.876 147 HD2 PRO 68 HD2 PRO 68 -11.354 -14.749 -11.070 148 HD3 PRO 68 HD3 PRO 68 -11.382 -15.128 -9.320 149 H HIS 69 H HIS 69 -10.029 -12.183 -11.678 150 HA HIS 69 HA HIS 69 -7.968 -10.018 -11.771 151 HB2 HIS 69 HB2 HIS 69 -8.620 -12.292 -13.643 152 HB3 HIS 69 HB3 HIS 69 -7.476 -11.010 -14.002 153 HD2 HIS 69 HD2 HIS 69 -6.383 -13.776 -14.058 154 HE1 HIS 69 HE1 HIS 69 -4.489 -12.997 -10.334 155 HE2 HIS 69 HE2 HIS 69 -4.522 -14.548 -12.348 156 H ALA 70 H ALA 70 -11.108 -9.749 -11.742 157 HA ALA 70 HA ALA 70 -12.020 -8.934 -14.235 158 HB1 ALA 70 HB1 ALA 70 -12.725 -7.736 -11.529 159 HB2 ALA 70 HB2 ALA 70 -13.704 -7.645 -13.010 160 HB3 ALA 70 HB3 ALA 70 -13.419 -9.214 -12.232 161 H GLY 71 H GLY 71 -11.484 -7.417 -15.637 162 HA2 GLY 71 HA2 GLY 71 -10.958 -5.307 -16.483 163 HA3 GLY 71 HA3 GLY 71 -10.538 -4.731 -14.872 164 H LEU 72 H LEU 72 -8.771 -7.538 -15.053 165 HA LEU 72 HA LEU 72 -6.321 -6.161 -15.908 166 HB2 LEU 72 HB2 LEU 72 -6.709 -9.066 -15.113 167 HB3 LEU 72 HB3 LEU 72 -5.186 -8.226 -15.308 168 HG LEU 72 HG LEU 72 -7.201 -7.729 -13.093 169 HD11 LEU 72 HD11 LEU 72 -4.355 -8.793 -12.955 170 HD12 LEU 72 HD12 LEU 72 -5.585 -8.792 -11.679 171 HD13 LEU 72 HD13 LEU 72 -5.747 -9.864 -13.084 172 HD21 LEU 72 HD21 LEU 72 -6.080 -5.617 -13.635 173 HD22 LEU 72 HD22 LEU 72 -5.445 -6.273 -12.121 174 HD23 LEU 72 HD23 LEU 72 -4.494 -6.426 -13.615 175 HA PRO 73 HA PRO 73 -6.246 -7.865 -20.108 176 HB2 PRO 73 HB2 PRO 73 -3.530 -8.199 -20.473 177 HB3 PRO 73 HB3 PRO 73 -4.364 -6.618 -20.575 178 HG2 PRO 73 HG2 PRO 73 -2.893 -7.850 -18.228 179 HG3 PRO 73 HG3 PRO 73 -2.749 -6.180 -18.863 180 HD2 PRO 73 HD2 PRO 73 -4.271 -6.726 -16.713 181 HD3 PRO 73 HD3 PRO 73 -4.823 -5.543 -17.928 182 H VAL 74 H VAL 74 -6.148 -9.921 -21.112 183 HA VAL 74 HA VAL 74 -5.931 -12.126 -19.206 184 HB VAL 74 HB VAL 74 -6.603 -12.325 -22.155 185 HG11 VAL 74 HG11 VAL 74 -7.027 -14.196 -19.791 186 HG12 VAL 74 HG12 VAL 74 -7.688 -14.445 -21.422 187 HG13 VAL 74 HG13 VAL 74 -5.941 -14.480 -21.170 188 HG21 VAL 74 HG21 VAL 74 -8.235 -10.877 -21.006 189 HG22 VAL 74 HG22 VAL 74 -8.955 -12.441 -21.378 190 HG23 VAL 74 HG23 VAL 74 -8.425 -12.084 -19.719 191 H THR 75 H THR 75 -4.152 -11.362 -22.289 192 HA THR 75 HA THR 75 -2.076 -13.325 -21.475 193 HB THR 75 HB THR 75 -1.491 -13.463 -23.745 194 HG1 THR 75 HG1 THR 75 -2.773 -12.138 -25.278 195 HG21 THR 75 HG21 THR 75 -4.524 -13.346 -23.774 196 HG22 THR 75 HG22 THR 75 -3.461 -14.281 -24.844 197 HG23 THR 75 HG23 THR 75 -3.571 -14.701 -23.127 198 H ARG 76 H ARG 76 0.179 -12.878 -22.160 199 HA ARG 76 HA ARG 76 1.265 -10.416 -21.183 200 HB2 ARG 76 HB2 ARG 76 2.390 -12.721 -21.535 201 HB3 ARG 76 HB3 ARG 76 2.562 -12.271 -23.235 202 HG2 ARG 76 HG2 ARG 76 3.841 -10.185 -22.409 203 HG3 ARG 76 HG3 ARG 76 3.734 -10.886 -20.785 204 HD2 ARG 76 HD2 ARG 76 5.851 -11.517 -21.576 205 HD3 ARG 76 HD3 ARG 76 4.847 -12.970 -21.727 206 HE ARG 76 HE ARG 76 4.858 -11.385 -24.172 207 HH11 ARG 76 HH11 ARG 76 6.814 -13.767 -22.483 208 HH12 ARG 76 HH12 ARG 76 7.585 -14.294 -23.950 209 HH21 ARG 76 HH21 ARG 76 5.870 -12.132 -26.000 210 HH22 ARG 76 HH22 ARG 76 7.067 -13.384 -25.882 211 H SER 77 H SER 77 0.326 -11.392 -24.468 212 HA SER 77 HA SER 77 1.150 -9.001 -25.814 213 HB2 SER 77 HB2 SER 77 -1.124 -10.888 -26.530 214 HB3 SER 77 HB3 SER 77 -0.330 -9.720 -27.604 215 HG SER 77 HG SER 77 0.537 -11.855 -27.844 216 H ASP 78 H ASP 78 -2.056 -9.881 -24.313 217 HA ASP 78 HA ASP 78 -3.360 -7.423 -24.919 218 HB2 ASP 78 HB2 ASP 78 -3.658 -9.211 -22.479 219 HB3 ASP 78 HB3 ASP 78 -4.746 -7.899 -22.903 220 H ALA 79 H ALA 79 -1.297 -8.259 -22.090 221 HA ALA 79 HA ALA 79 -1.460 -5.713 -20.788 222 HB1 ALA 79 HB1 ALA 79 0.708 -7.798 -20.752 223 HB2 ALA 79 HB2 ALA 79 0.469 -6.484 -19.559 224 HB3 ALA 79 HB3 ALA 79 -0.733 -7.779 -19.724 225 H ARG 80 H ARG 80 0.947 -6.872 -23.226 226 HA ARG 80 HA ARG 80 2.378 -4.371 -23.387 227 HB2 ARG 80 HB2 ARG 80 3.207 -6.578 -24.226 228 HB3 ARG 80 HB3 ARG 80 2.018 -6.513 -25.536 229 HG2 ARG 80 HG2 ARG 80 3.064 -4.396 -26.362 230 HG3 ARG 80 HG3 ARG 80 4.252 -4.490 -25.052 231 HD2 ARG 80 HD2 ARG 80 5.229 -6.500 -25.989 232 HD3 ARG 80 HD3 ARG 80 3.924 -6.641 -27.164 233 HE ARG 80 HE ARG 80 4.760 -4.831 -28.426 234 HH11 ARG 80 HH11 ARG 80 6.985 -5.330 -25.693 235 HH12 ARG 80 HH12 ARG 80 8.298 -4.652 -26.614 236 HH21 ARG 80 HH21 ARG 80 6.387 -3.685 -29.283 237 HH22 ARG 80 HH22 ARG 80 7.887 -3.472 -28.396 238 H VAL 81 H VAL 81 -0.552 -5.470 -25.114 239 HA VAL 81 HA VAL 81 -0.709 -3.206 -26.910 240 HB VAL 81 HB VAL 81 -2.769 -5.223 -25.940 241 HG11 VAL 81 HG11 VAL 81 -3.104 -3.051 -28.058 242 HG12 VAL 81 HG12 VAL 81 -4.205 -4.418 -27.811 243 HG13 VAL 81 HG13 VAL 81 -4.033 -3.196 -26.550 244 HG21 VAL 81 HG21 VAL 81 -0.923 -5.994 -27.519 245 HG22 VAL 81 HG22 VAL 81 -2.566 -6.165 -28.158 246 HG23 VAL 81 HG23 VAL 81 -1.531 -4.823 -28.683 247 H LEU 82 H LEU 82 -2.076 -3.893 -23.681 248 HA LEU 82 HA LEU 82 -3.514 -1.411 -23.407 249 HB2 LEU 82 HB2 LEU 82 -2.267 -3.276 -21.346 250 HB3 LEU 82 HB3 LEU 82 -3.092 -1.796 -20.895 251 HG LEU 82 HG LEU 82 -4.362 -4.200 -22.243 252 HD11 LEU 82 HD11 LEU 82 -4.825 -2.883 -19.534 253 HD12 LEU 82 HD12 LEU 82 -5.517 -4.409 -20.121 254 HD13 LEU 82 HD13 LEU 82 -3.780 -4.290 -19.792 255 HD21 LEU 82 HD21 LEU 82 -5.511 -2.225 -23.116 256 HD22 LEU 82 HD22 LEU 82 -6.517 -2.978 -21.883 257 HD23 LEU 82 HD23 LEU 82 -5.593 -1.516 -21.485 258 H ILE 83 H ILE 83 -0.151 -2.219 -22.316 259 HA ILE 83 HA ILE 83 0.432 0.417 -21.388 260 HB ILE 83 HB ILE 83 2.261 -1.751 -22.490 261 HG12 ILE 83 HG12 ILE 83 1.808 -0.687 -19.655 262 HG13 ILE 83 HG13 ILE 83 1.032 -2.125 -20.315 263 HG21 ILE 83 HG21 ILE 83 3.000 0.992 -21.358 264 HG22 ILE 83 HG22 ILE 83 4.149 -0.344 -21.454 265 HG23 ILE 83 HG23 ILE 83 3.469 0.307 -22.932 266 HD11 ILE 83 HD11 ILE 83 3.991 -1.763 -19.741 267 HD12 ILE 83 HD12 ILE 83 2.851 -2.906 -19.015 268 HD13 ILE 83 HD13 ILE 83 3.332 -3.098 -20.715 269 H PHE 84 H PHE 84 0.901 -0.978 -24.684 270 HA PHE 84 HA PHE 84 2.077 1.367 -25.739 271 HB2 PHE 84 HB2 PHE 84 2.141 -0.920 -26.747 272 HB3 PHE 84 HB3 PHE 84 0.457 -0.749 -27.202 273 HD1 PHE 84 HD1 PHE 84 3.670 1.220 -27.440 274 HD2 PHE 84 HD2 PHE 84 -0.007 0.067 -29.358 275 HE1 PHE 84 HE1 PHE 84 4.398 2.388 -29.488 276 HE2 PHE 84 HE2 PHE 84 0.737 1.211 -31.450 277 HZ PHE 84 HZ PHE 84 2.941 2.364 -31.521 278 H ASN 85 H ASN 85 -1.357 0.302 -26.148 279 HA ASN 85 HA ASN 85 -2.247 2.610 -27.506 280 HB2 ASN 85 HB2 ASN 85 -3.467 0.429 -27.278 281 HB3 ASN 85 HB3 ASN 85 -3.780 0.801 -25.581 282 HD21 ASN 85 HD22 ASN 85 -6.081 0.758 -25.889 283 HD22 ASN 85 HD21 ASN 85 -6.885 2.027 -26.797 284 H ASP 86 H ASP 86 -2.218 2.006 -23.920 285 HA ASP 86 HA ASP 86 -3.351 4.554 -23.241 286 HB2 ASP 86 HB2 ASP 86 -3.246 2.735 -21.600 287 HB3 ASP 86 HB3 ASP 86 -1.478 2.792 -21.634 288 H TRP 87 H TRP 87 0.155 3.525 -23.435 289 HA TRP 87 HA TRP 87 1.258 6.060 -22.857 290 HB2 TRP 87 HB2 TRP 87 2.742 4.220 -22.942 291 HB3 TRP 87 HB3 TRP 87 2.208 3.754 -24.556 292 HD1 TRP 87 HD1 TRP 87 4.321 6.535 -22.883 293 HE1 TRP 87 HE1 TRP 87 6.012 7.399 -24.639 294 HE3 TRP 87 HE3 TRP 87 2.531 4.144 -27.064 295 HZ2 TRP 87 HZ2 TRP 87 6.563 7.039 -27.416 296 HZ3 TRP 87 HZ3 TRP 87 3.558 4.579 -29.279 297 HH2 TRP 87 HH2 TRP 87 5.604 5.974 -29.467 298 H GLU 88 H GLU 88 0.188 4.828 -26.107 299 HA GLU 88 HA GLU 88 0.997 7.108 -27.543 300 HB2 GLU 88 HB2 GLU 88 0.165 4.720 -28.214 301 HB3 GLU 88 HB3 GLU 88 -1.442 5.416 -28.235 302 HG2 GLU 88 HG2 GLU 88 0.958 6.520 -29.757 303 HG3 GLU 88 HG3 GLU 88 -0.047 5.221 -30.387 304 H GLU 89 H GLU 89 -2.188 6.457 -25.924 305 HA GLU 89 HA GLU 89 -3.306 9.011 -26.609 306 HB2 GLU 89 HB2 GLU 89 -4.418 6.819 -25.883 307 HB3 GLU 89 HB3 GLU 89 -4.040 7.268 -24.228 308 HG2 GLU 89 HG2 GLU 89 -5.414 9.368 -25.870 309 HG3 GLU 89 HG3 GLU 89 -6.321 7.879 -25.656 310 H ARG 90 H ARG 90 -1.509 7.925 -23.693 311 HA ARG 90 HA ARG 90 -1.547 10.439 -22.272 312 HB2 ARG 90 HB2 ARG 90 0.629 8.313 -22.263 313 HB3 ARG 90 HB3 ARG 90 0.425 9.595 -21.080 314 HG2 ARG 90 HG2 ARG 90 -1.628 7.406 -21.423 315 HG3 ARG 90 HG3 ARG 90 -0.213 7.234 -20.418 316 HD2 ARG 90 HD2 ARG 90 -2.124 7.770 -19.065 317 HD3 ARG 90 HD3 ARG 90 -0.954 9.086 -18.998 318 HE ARG 90 HE ARG 90 -2.613 10.474 -19.730 319 HH11 ARG 90 HH11 ARG 90 -3.601 7.252 -20.921 320 HH12 ARG 90 HH12 ARG 90 -4.965 7.980 -21.764 321 HH21 ARG 90 HH21 ARG 90 -4.424 11.177 -20.822 322 HH22 ARG 90 HH22 ARG 90 -5.281 10.064 -21.862 323 H LYS 91 H LYS 91 0.599 9.218 -24.866 324 HA LYS 91 HA LYS 91 2.381 11.466 -24.829 325 HB2 LYS 91 HB2 LYS 91 2.777 9.141 -25.857 326 HB3 LYS 91 HB3 LYS 91 1.822 9.710 -27.236 327 HG2 LYS 91 HG2 LYS 91 3.526 11.705 -27.280 328 HG3 LYS 91 HG3 LYS 91 4.487 10.707 -26.167 329 HD2 LYS 91 HD2 LYS 91 4.300 8.840 -27.917 330 HD3 LYS 91 HD3 LYS 91 3.623 10.039 -29.018 331 HE2 LYS 91 HE2 LYS 91 6.408 10.005 -27.764 332 HE3 LYS 91 HE3 LYS 91 5.993 9.724 -29.454 333 HZ1 LYS 91 HZ1 LYS 91 5.864 12.322 -28.000 334 HZ2 LYS 91 HZ2 LYS 91 6.789 11.940 -29.279 335 HZ3 LYS 91 HZ3 LYS 91 5.183 12.104 -29.497 336 H ARG 92 H ARG 92 -0.612 10.836 -26.699 337 HA ARG 92 HA ARG 92 -0.615 13.354 -28.127 338 HB2 ARG 92 HB2 ARG 92 -2.897 11.545 -27.222 339 HB3 ARG 92 HB3 ARG 92 -3.130 13.001 -28.195 340 HG2 ARG 92 HG2 ARG 92 -1.719 12.113 -29.986 341 HG3 ARG 92 HG3 ARG 92 -1.345 10.678 -29.027 342 HD2 ARG 92 HD2 ARG 92 -3.803 10.129 -28.982 343 HD3 ARG 92 HD3 ARG 92 -4.086 11.472 -30.098 344 HE ARG 92 HE ARG 92 -2.539 8.948 -30.599 345 HH11 ARG 92 HH11 ARG 92 -4.171 11.686 -32.123 346 HH12 ARG 92 HH12 ARG 92 -3.766 11.109 -33.717 347 HH21 ARG 92 HH21 ARG 92 -1.876 8.475 -32.499 348 HH22 ARG 92 HH22 ARG 92 -2.525 9.238 -33.953 349 H SER 93 H SER 93 -1.745 12.545 -24.830 350 HA SER 93 HA SER 93 -2.586 15.263 -24.254 351 HB2 SER 93 HB2 SER 93 -3.323 13.207 -23.034 352 HB3 SER 93 HB3 SER 93 -1.726 13.150 -22.259 353 HG SER 93 HG SER 93 -3.341 14.302 -21.009 354 H GLU 94 H GLU 94 0.491 13.544 -23.595 355 HA GLU 94 HA GLU 94 1.890 16.102 -22.934 356 HB2 GLU 94 HB2 GLU 94 1.935 13.454 -21.439 357 HB3 GLU 94 HB3 GLU 94 3.043 14.797 -21.162 358 HG2 GLU 94 HG2 GLU 94 1.088 16.270 -20.639 359 HG3 GLU 94 HG3 GLU 94 0.024 14.867 -20.776 360 HA PRO 95 HA PRO 95 3.771 14.130 -26.432 361 HB2 PRO 95 HB2 PRO 95 5.617 16.025 -27.236 362 HB3 PRO 95 HB3 PRO 95 3.847 16.160 -27.454 363 HG2 PRO 95 HG2 PRO 95 5.535 17.309 -25.205 364 HG3 PRO 95 HG3 PRO 95 4.312 18.152 -26.215 365 HD2 PRO 95 HD2 PRO 95 3.653 17.203 -23.781 366 HD3 PRO 95 HD3 PRO 95 2.518 16.997 -25.152 367 H TRP 96 H TRP 96 5.754 14.803 -23.692 368 HA TRP 96 HA TRP 96 8.268 13.734 -24.702 369 HB2 TRP 96 HB2 TRP 96 8.980 14.213 -22.356 370 HB3 TRP 96 HB3 TRP 96 8.265 15.577 -23.190 371 HD1 TRP 96 HD1 TRP 96 7.120 12.837 -20.691 372 HE1 TRP 96 HE1 TRP 96 5.379 13.847 -19.088 373 HE3 TRP 96 HE3 TRP 96 6.685 17.494 -22.792 374 HZ2 TRP 96 HZ2 TRP 96 3.945 16.338 -18.795 375 HZ3 TRP 96 HZ3 TRP 96 5.074 19.142 -21.866 376 HH2 TRP 96 HH2 TRP 96 3.706 18.579 -19.870 377 H LEU 97 H LEU 97 5.546 12.067 -23.735 378 HA LEU 97 HA LEU 97 6.246 10.511 -21.636 379 HB2 LEU 97 HB2 LEU 97 4.063 10.739 -23.225 380 HB3 LEU 97 HB3 LEU 97 4.623 9.218 -23.825 381 HG LEU 97 HG LEU 97 3.195 8.460 -22.233 382 HD11 LEU 97 HD11 LEU 97 5.428 9.067 -20.237 383 HD12 LEU 97 HD12 LEU 97 4.159 7.838 -20.104 384 HD13 LEU 97 HD13 LEU 97 5.400 7.662 -21.335 385 HD21 LEU 97 HD21 LEU 97 2.441 10.681 -21.603 386 HD22 LEU 97 HD22 LEU 97 2.592 9.602 -20.200 387 HD23 LEU 97 HD23 LEU 97 3.822 10.859 -20.498 388 H ARG 98 H ARG 98 7.690 8.899 -21.174 389 HA ARG 98 HA ARG 98 9.084 7.459 -23.359 390 HB2 ARG 98 HB2 ARG 98 9.610 7.465 -20.357 391 HB3 ARG 98 HB3 ARG 98 10.587 6.642 -21.577 392 HG2 ARG 98 HG2 ARG 98 10.990 8.875 -22.687 393 HG3 ARG 98 HG3 ARG 98 10.198 9.659 -21.315 394 HD2 ARG 98 HD2 ARG 98 12.672 7.883 -21.156 395 HD3 ARG 98 HD3 ARG 98 12.675 9.655 -21.171 396 HE ARG 98 HE ARG 98 10.992 8.794 -19.040 397 HH11 ARG 98 HH11 ARG 98 14.413 8.890 -19.796 398 HH12 ARG 98 HH12 ARG 98 14.880 8.942 -18.119 399 HH21 ARG 98 HH21 ARG 98 11.657 8.821 -16.911 400 HH22 ARG 98 HH22 ARG 98 13.351 8.886 -16.531 401 H LEU 99 H LEU 99 9.219 5.263 -23.592 402 HA LEU 99 HA LEU 99 6.883 3.736 -22.510 403 HB2 LEU 99 HB2 LEU 99 6.592 4.558 -24.750 404 HB3 LEU 99 HB3 LEU 99 8.099 3.881 -25.294 405 HG LEU 99 HG LEU 99 5.948 2.772 -26.029 406 HD11 LEU 99 HD11 LEU 99 7.880 0.908 -24.580 407 HD12 LEU 99 HD12 LEU 99 6.886 0.556 -25.987 408 HD13 LEU 99 HD13 LEU 99 8.225 1.700 -26.126 409 HD21 LEU 99 HD21 LEU 99 4.787 2.811 -23.830 410 HD22 LEU 99 HD22 LEU 99 4.790 1.245 -24.654 411 HD23 LEU 99 HD23 LEU 99 5.868 1.512 -23.273 412 H ASP 100 H ASP 100 7.315 1.872 -21.501 413 HA ASP 100 HA ASP 100 9.680 0.220 -22.260 414 HB2 ASP 100 HB2 ASP 100 8.858 0.982 -19.429 415 HB3 ASP 100 HB3 ASP 100 9.977 -0.317 -19.831 416 H MET 101 H MET 101 8.826 -1.644 -23.016 417 HA MET 101 HA MET 101 6.916 -3.146 -21.357 418 HB2 MET 101 HB2 MET 101 5.258 -3.473 -23.155 419 HB3 MET 101 HB3 MET 101 5.343 -1.844 -22.531 420 HG2 MET 101 HG2 MET 101 6.617 -1.097 -24.479 421 HG3 MET 101 HG3 MET 101 6.601 -2.738 -25.130 422 HE1 MET 101 HE1 MET 101 5.868 -1.921 -27.279 423 HE2 MET 101 HE2 MET 101 4.198 -1.508 -27.719 424 HE3 MET 101 HE3 MET 101 5.282 -0.256 -27.085 425 H SER 102 H SER 102 9.522 -3.721 -21.790 426 HA SER 102 HA SER 102 9.982 -6.058 -23.427 427 HB2 SER 102 HB2 SER 102 11.785 -5.039 -22.136 428 HB3 SER 102 HB3 SER 102 10.892 -5.243 -20.627 429 HG SER 102 HG SER 102 12.592 -6.868 -21.192 430 H ASP 103 H ASP 103 9.655 -8.327 -22.846 431 HA ASP 103 HA ASP 103 7.190 -9.024 -21.567 432 HB2 ASP 103 HB2 ASP 103 8.039 -11.319 -21.615 433 HB3 ASP 103 HB3 ASP 103 8.216 -10.511 -23.161 434 H LYS 104 H LYS 104 10.489 -8.684 -20.252 435 HA LYS 104 HA LYS 104 9.866 -9.637 -17.585 436 HB2 LYS 104 HB2 LYS 104 12.030 -7.711 -18.545 437 HB3 LYS 104 HB3 LYS 104 11.921 -8.420 -16.925 438 HG2 LYS 104 HG2 LYS 104 11.982 -10.716 -17.987 439 HG3 LYS 104 HG3 LYS 104 12.303 -9.931 -19.546 440 HD2 LYS 104 HD2 LYS 104 14.360 -8.906 -18.595 441 HD3 LYS 104 HD3 LYS 104 14.030 -9.712 -17.044 442 HE2 LYS 104 HE2 LYS 104 14.131 -11.927 -18.183 443 HE3 LYS 104 HE3 LYS 104 14.471 -11.124 -19.720 444 HZ1 LYS 104 HZ1 LYS 104 16.231 -11.009 -17.315 445 HZ2 LYS 104 HZ2 LYS 104 16.517 -11.901 -18.650 446 HZ3 LYS 104 HZ3 LYS 104 16.551 -10.274 -18.744 447 H ALA 105 H ALA 105 9.557 -6.440 -19.111 448 HA ALA 105 HA ALA 105 8.724 -5.082 -16.682 449 HB1 ALA 105 HB1 ALA 105 8.279 -4.290 -19.589 450 HB2 ALA 105 HB2 ALA 105 8.131 -3.247 -18.165 451 HB3 ALA 105 HB3 ALA 105 9.718 -3.895 -18.615 452 H ILE 106 H ILE 106 6.941 -6.781 -19.317 453 HA ILE 106 HA ILE 106 4.291 -6.246 -18.299 454 HB ILE 106 HB ILE 106 5.165 -8.786 -19.716 455 HG12 ILE 106 HG12 ILE 106 5.774 -7.029 -21.229 456 HG13 ILE 106 HG13 ILE 106 4.287 -7.739 -21.794 457 HG21 ILE 106 HG21 ILE 106 2.480 -7.436 -19.216 458 HG22 ILE 106 HG22 ILE 106 2.716 -8.705 -20.426 459 HG23 ILE 106 HG23 ILE 106 2.997 -9.061 -18.714 460 HD11 ILE 106 HD11 ILE 106 4.574 -5.075 -20.344 461 HD12 ILE 106 HD12 ILE 106 4.219 -5.331 -22.059 462 HD13 ILE 106 HD13 ILE 106 3.018 -5.791 -20.841 463 H PHE 107 H PHE 107 6.475 -9.064 -17.571 464 HA PHE 107 HA PHE 107 4.681 -10.060 -15.572 465 HB2 PHE 107 HB2 PHE 107 7.656 -10.535 -15.933 466 HB3 PHE 107 HB3 PHE 107 6.596 -11.484 -14.901 467 HD1 PHE 107 HD1 PHE 107 4.223 -12.094 -16.405 468 HD2 PHE 107 HD2 PHE 107 8.292 -11.802 -17.805 469 HE1 PHE 107 HE1 PHE 107 3.708 -13.670 -18.255 470 HE2 PHE 107 HE2 PHE 107 7.768 -13.358 -19.658 471 HZ PHE 107 HZ PHE 107 5.477 -14.328 -19.862 472 H ARG 108 H ARG 108 7.298 -7.662 -15.232 473 HA ARG 108 HA ARG 108 7.136 -7.602 -12.316 474 HB2 ARG 108 HB2 ARG 108 8.317 -5.713 -14.387 475 HB3 ARG 108 HB3 ARG 108 8.372 -5.366 -12.665 476 HG2 ARG 108 HG2 ARG 108 9.526 -7.927 -13.853 477 HG3 ARG 108 HG3 ARG 108 10.448 -6.434 -13.644 478 HD2 ARG 108 HD2 ARG 108 9.982 -6.490 -11.209 479 HD3 ARG 108 HD3 ARG 108 9.110 -8.026 -11.418 480 HE ARG 108 HE ARG 108 11.653 -8.377 -12.577 481 HH11 ARG 108 HH11 ARG 108 10.432 -7.812 -9.339 482 HH12 ARG 108 HH12 ARG 108 11.787 -8.610 -8.589 483 HH21 ARG 108 HH21 ARG 108 13.355 -9.381 -11.556 484 HH22 ARG 108 HH22 ARG 108 13.397 -9.477 -9.820 485 H ARG 109 H ARG 109 5.573 -5.618 -14.851 486 HA ARG 109 HA ARG 109 4.187 -3.925 -12.883 487 HB2 ARG 109 HB2 ARG 109 3.878 -4.255 -15.900 488 HB3 ARG 109 HB3 ARG 109 2.963 -3.098 -14.925 489 HG2 ARG 109 HG2 ARG 109 5.053 -2.014 -14.177 490 HG3 ARG 109 HG3 ARG 109 6.011 -3.143 -15.141 491 HD2 ARG 109 HD2 ARG 109 4.925 -2.345 -17.206 492 HD3 ARG 109 HD3 ARG 109 3.933 -1.216 -16.283 493 HE ARG 109 HE ARG 109 6.752 -0.949 -17.019 494 HH11 ARG 109 HH11 ARG 109 4.350 0.289 -14.769 495 HH12 ARG 109 HH12 ARG 109 5.284 1.717 -14.429 496 HH21 ARG 109 HH21 ARG 109 7.890 0.890 -16.512 497 HH22 ARG 109 HH22 ARG 109 7.226 2.046 -15.399 498 H TYR 110 H TYR 110 3.336 -6.787 -14.745 499 HA TYR 110 HA TYR 110 0.775 -7.073 -13.231 500 HB2 TYR 110 HB2 TYR 110 1.303 -7.517 -16.189 501 HB3 TYR 110 HB3 TYR 110 -0.120 -8.054 -15.317 502 HD1 TYR 110 HD2 TYR 110 -1.752 -6.437 -14.367 503 HD2 TYR 110 HD1 TYR 110 1.482 -5.244 -16.965 504 HE1 TYR 110 HE2 TYR 110 -2.999 -4.364 -14.969 505 HE2 TYR 110 HE1 TYR 110 0.252 -3.154 -17.537 506 HH TYR 110 HH TYR 110 -1.662 -1.904 -17.212 507 HA PRO 111 HA PRO 111 3.463 -10.774 -12.658 508 HB2 PRO 111 HB2 PRO 111 2.678 -11.506 -10.139 509 HB3 PRO 111 HB3 PRO 111 3.810 -10.160 -10.466 510 HG2 PRO 111 HG2 PRO 111 0.815 -9.994 -9.987 511 HG3 PRO 111 HG3 PRO 111 2.114 -9.042 -9.198 512 HD2 PRO 111 HD2 PRO 111 0.718 -8.062 -11.306 513 HD3 PRO 111 HD3 PRO 111 2.474 -7.745 -11.147 514 H HIS 112 H HIS 112 -0.005 -10.545 -12.770 515 HA HIS 112 HA HIS 112 -0.598 -13.337 -12.364 516 HB2 HIS 112 HB2 HIS 112 -2.806 -12.753 -12.842 517 HB3 HIS 112 HB3 HIS 112 -2.134 -11.406 -11.933 518 HD2 HIS 112 HD2 HIS 112 -3.862 -12.286 -15.143 519 HE1 HIS 112 HE1 HIS 112 -2.507 -8.296 -15.750 520 HE2 HIS 112 HE2 HIS 112 -3.959 -10.171 -16.699 521 H LEU 113 H LEU 113 0.711 -11.749 -15.163 522 HA LEU 113 HA LEU 113 -0.528 -13.475 -17.149 523 HB2 LEU 113 HB2 LEU 113 1.975 -11.732 -17.314 524 HB3 LEU 113 HB3 LEU 113 1.319 -12.654 -18.646 525 HG LEU 113 HG LEU 113 0.626 -10.473 -19.057 526 HD11 LEU 113 HD11 LEU 113 -1.803 -11.633 -17.636 527 HD12 LEU 113 HD12 LEU 113 -1.784 -10.512 -19.006 528 HD13 LEU 113 HD13 LEU 113 -1.246 -12.193 -19.220 529 HD21 LEU 113 HD21 LEU 113 1.139 -9.512 -16.989 530 HD22 LEU 113 HD22 LEU 113 -0.471 -9.004 -17.543 531 HD23 LEU 113 HD23 LEU 113 -0.317 -10.205 -16.239 532 H ARG 114 H ARG 114 2.199 -13.951 -15.009 533 HA ARG 114 HA ARG 114 3.480 -15.979 -16.634 534 HB2 ARG 114 HB2 ARG 114 4.258 -14.336 -14.501 535 HB3 ARG 114 HB3 ARG 114 4.190 -15.931 -13.766 536 HG2 ARG 114 HG2 ARG 114 5.741 -15.152 -16.269 537 HG3 ARG 114 HG3 ARG 114 6.417 -15.372 -14.654 538 HD2 ARG 114 HD2 ARG 114 5.705 -17.784 -14.723 539 HD3 ARG 114 HD3 ARG 114 5.126 -17.536 -16.367 540 HE ARG 114 HE ARG 114 7.305 -17.329 -17.186 541 HH11 ARG 114 HH11 ARG 114 7.451 -17.929 -13.731 542 HH12 ARG 114 HH12 ARG 114 9.128 -18.399 -13.799 543 HH21 ARG 114 HH21 ARG 114 9.426 -17.940 -17.193 544 HH22 ARG 114 HH22 ARG 114 10.212 -18.401 -15.712 Start of MODEL 6 1 H1 MET 1 H1 MET 1 19.121 1.158 -5.904 2 H2 MET 1 H2 MET 1 19.509 0.278 -7.226 3 H3 MET 1 H3 MET 1 18.442 -0.310 -6.151 4 HA MET 1 HA MET 1 17.313 0.479 -8.151 5 HB2 MET 1 HB2 MET 1 15.569 1.819 -7.040 6 HB3 MET 1 HB3 MET 1 15.993 0.354 -6.182 7 HG2 MET 1 HG2 MET 1 17.275 1.614 -4.520 8 HG3 MET 1 HG3 MET 1 16.973 3.127 -5.369 9 HE1 MET 1 HE1 MET 1 13.962 3.302 -6.103 10 HE2 MET 1 HE2 MET 1 13.294 3.957 -4.595 11 HE3 MET 1 HE3 MET 1 14.860 4.543 -5.197 12 H ARG 2 H ARG 2 19.358 1.470 -9.269 13 HA ARG 2 HA ARG 2 18.771 4.295 -9.929 14 HB2 ARG 2 HB2 ARG 2 21.504 3.340 -8.927 15 HB3 ARG 2 HB3 ARG 2 21.238 4.855 -9.785 16 HG2 ARG 2 HG2 ARG 2 19.665 5.579 -7.944 17 HG3 ARG 2 HG3 ARG 2 20.110 4.109 -7.063 18 HD2 ARG 2 HD2 ARG 2 21.436 5.869 -6.180 19 HD3 ARG 2 HD3 ARG 2 22.504 4.825 -7.134 20 HE ARG 2 HE ARG 2 21.465 7.040 -8.704 21 HH11 ARG 2 HH11 ARG 2 23.897 6.394 -6.265 22 HH12 ARG 2 HH12 ARG 2 24.891 7.735 -6.764 23 HH21 ARG 2 HH21 ARG 2 22.784 8.721 -9.308 24 HH22 ARG 2 HH22 ARG 2 24.263 9.023 -8.447 25 H GLY 3 H GLY 3 19.955 5.003 -11.848 26 HA2 GLY 3 HA2 GLY 3 21.177 4.824 -13.773 27 HA3 GLY 3 HA3 GLY 3 21.726 3.242 -13.241 28 H SER 4 H SER 4 18.271 3.786 -13.755 29 HA SER 4 HA SER 4 18.397 2.754 -16.531 30 HB2 SER 4 HB2 SER 4 18.133 0.762 -15.070 31 HB3 SER 4 HB3 SER 4 16.633 1.461 -14.424 32 HG SER 4 HG SER 4 16.280 -0.003 -16.207 33 H HIS 5 H HIS 5 16.957 3.635 -17.839 34 HA HIS 5 HA HIS 5 14.662 5.253 -16.794 35 HB2 HIS 5 HB2 HIS 5 16.826 6.318 -18.659 36 HB3 HIS 5 HB3 HIS 5 15.393 7.185 -18.121 37 HD2 HIS 5 HD2 HIS 5 15.310 7.917 -15.463 38 HE1 HIS 5 HE1 HIS 5 19.508 7.535 -14.801 39 HE2 HIS 5 HE2 HIS 5 17.330 8.460 -13.857 40 H HIS 6 H HIS 6 16.290 3.882 -19.666 41 HA HIS 6 HA HIS 6 13.735 3.362 -21.046 42 HB2 HIS 6 HB2 HIS 6 14.527 5.780 -21.502 43 HB3 HIS 6 HB3 HIS 6 15.898 5.084 -22.338 44 HD2 HIS 6 HD2 HIS 6 15.143 3.418 -24.555 45 HE1 HIS 6 HE1 HIS 6 11.705 5.811 -25.357 46 HE2 HIS 6 HE2 HIS 6 13.305 4.087 -26.322 47 H HIS 7 H HIS 7 13.958 1.388 -22.115 48 HA HIS 7 HA HIS 7 16.678 0.441 -22.888 49 HB2 HIS 7 HB2 HIS 7 16.481 -1.566 -21.517 50 HB3 HIS 7 HB3 HIS 7 16.516 -0.111 -20.539 51 HD2 HIS 7 HD2 HIS 7 14.358 0.484 -19.081 52 HE1 HIS 7 HE1 HIS 7 12.187 -3.109 -19.833 53 HE2 HIS 7 HE2 HIS 7 12.300 -1.010 -18.390 54 H HIS 8 H HIS 8 13.155 -0.149 -23.159 55 HA HIS 8 HA HIS 8 13.706 -1.660 -25.654 56 HB2 HIS 8 HB2 HIS 8 13.777 -3.328 -23.773 57 HB3 HIS 8 HB3 HIS 8 12.083 -2.974 -23.450 58 HD2 HIS 8 HD2 HIS 8 10.282 -3.883 -25.308 59 HE1 HIS 8 HE1 HIS 8 13.032 -6.130 -27.667 60 HE2 HIS 8 HE2 HIS 8 10.569 -5.660 -27.234 61 H HIS 9 H HIS 9 12.770 0.252 -26.544 62 HA HIS 9 HA HIS 9 9.870 0.584 -26.256 63 HB2 HIS 9 HB2 HIS 9 10.009 2.391 -27.755 64 HB3 HIS 9 HB3 HIS 9 11.358 2.544 -26.642 65 HD2 HIS 9 HD2 HIS 9 13.877 2.018 -27.694 66 HE1 HIS 9 HE1 HIS 9 12.682 2.241 -31.784 67 HE2 HIS 9 HE2 HIS 9 14.674 2.181 -30.200 68 H HIS 10 H HIS 10 8.338 0.203 -27.869 69 HA HIS 10 HA HIS 10 8.874 -1.265 -30.308 70 HB2 HIS 10 HB2 HIS 10 9.102 -3.037 -28.520 71 HB3 HIS 10 HB3 HIS 10 7.456 -2.699 -28.013 72 HD2 HIS 10 HD2 HIS 10 6.613 -5.164 -28.623 73 HE1 HIS 10 HE1 HIS 10 7.236 -4.982 -32.838 74 HE2 HIS 10 HE2 HIS 10 6.177 -6.321 -30.952 75 H GLY 11 H GLY 11 6.472 -2.068 -31.110 76 HA2 GLY 11 HA2 GLY 11 4.272 -0.420 -30.134 77 HA3 GLY 11 HA3 GLY 11 4.836 0.063 -31.735 78 H SER 12 H SER 12 2.242 -0.729 -31.318 79 HA SER 12 HA SER 12 2.004 -3.168 -32.978 80 HB2 SER 12 HB2 SER 12 2.040 -4.234 -30.869 81 HB3 SER 12 HB3 SER 12 0.976 -3.024 -30.132 82 HG SER 12 HG SER 12 0.087 -5.200 -30.948 83 H GLY 58 H GLY 58 -0.153 -1.072 -30.960 84 HA2 GLY 58 HA2 GLY 58 -1.950 0.254 -31.598 85 HA3 GLY 58 HA3 GLY 58 -1.575 -0.043 -33.294 86 H ALA 59 H ALA 59 -1.883 -3.034 -31.683 87 HA ALA 59 HA ALA 59 -4.459 -3.659 -32.858 88 HB1 ALA 59 HB1 ALA 59 -2.721 -5.207 -30.890 89 HB2 ALA 59 HB2 ALA 59 -4.011 -5.875 -31.910 90 HB3 ALA 59 HB3 ALA 59 -2.544 -5.236 -32.659 91 H LEU 60 H LEU 60 -5.920 -5.098 -31.239 92 HA LEU 60 HA LEU 60 -6.819 -3.373 -28.973 93 HB2 LEU 60 HB2 LEU 60 -8.167 -5.584 -30.573 94 HB3 LEU 60 HB3 LEU 60 -8.799 -5.022 -29.045 95 HG LEU 60 HG LEU 60 -10.024 -4.051 -30.844 96 HD11 LEU 60 HD11 LEU 60 -8.344 -1.860 -29.566 97 HD12 LEU 60 HD12 LEU 60 -9.986 -1.722 -30.220 98 HD13 LEU 60 HD13 LEU 60 -9.697 -2.710 -28.779 99 HD21 LEU 60 HD21 LEU 60 -8.242 -4.007 -32.589 100 HD22 LEU 60 HD22 LEU 60 -9.176 -2.507 -32.466 101 HD23 LEU 60 HD23 LEU 60 -7.542 -2.579 -31.787 102 H ALA 61 H ALA 61 -7.343 -4.362 -26.938 103 HA ALA 61 HA ALA 61 -5.817 -6.859 -26.305 104 HB1 ALA 61 HB1 ALA 61 -6.203 -4.379 -24.583 105 HB2 ALA 61 HB2 ALA 61 -5.420 -5.886 -24.068 106 HB3 ALA 61 HB3 ALA 61 -4.690 -4.908 -25.349 107 H ALA 62 H ALA 62 -6.799 -8.405 -25.118 108 HA ALA 62 HA ALA 62 -9.669 -8.092 -24.415 109 HB1 ALA 62 HB1 ALA 62 -7.893 -10.558 -24.541 110 HB2 ALA 62 HB2 ALA 62 -9.638 -10.537 -24.208 111 HB3 ALA 62 HB3 ALA 62 -9.034 -10.022 -25.796 112 H LEU 63 H LEU 63 -10.462 -8.517 -22.360 113 HA LEU 63 HA LEU 63 -8.514 -8.527 -20.093 114 HB2 LEU 63 HB2 LEU 63 -11.191 -7.100 -20.160 115 HB3 LEU 63 HB3 LEU 63 -10.020 -7.079 -18.849 116 HG LEU 63 HG LEU 63 -9.652 -5.792 -21.591 117 HD11 LEU 63 HD11 LEU 63 -10.117 -4.555 -18.849 118 HD12 LEU 63 HD12 LEU 63 -9.890 -3.685 -20.382 119 HD13 LEU 63 HD13 LEU 63 -11.328 -4.688 -20.145 120 HD21 LEU 63 HD21 LEU 63 -7.462 -6.371 -20.746 121 HD22 LEU 63 HD22 LEU 63 -7.726 -4.641 -20.526 122 HD23 LEU 63 HD23 LEU 63 -7.864 -5.727 -19.129 123 H HIS 64 H HIS 64 -9.244 -9.542 -18.148 124 HA HIS 64 HA HIS 64 -11.240 -11.705 -18.392 125 HB2 HIS 64 HB2 HIS 64 -9.790 -10.526 -16.014 126 HB3 HIS 64 HB3 HIS 64 -10.888 -11.893 -15.914 127 HD2 HIS 64 HD2 HIS 64 -7.293 -11.091 -16.361 128 HE1 HIS 64 HE1 HIS 64 -7.667 -15.183 -17.500 129 HE2 HIS 64 HE2 HIS 64 -6.018 -13.337 -16.898 130 H ALA 65 H ALA 65 -13.394 -11.589 -17.806 131 HA ALA 65 HA ALA 65 -14.489 -8.893 -17.363 132 HB1 ALA 65 HB1 ALA 65 -15.842 -11.561 -17.919 133 HB2 ALA 65 HB2 ALA 65 -16.601 -9.959 -17.979 134 HB3 ALA 65 HB3 ALA 65 -15.332 -10.374 -19.148 135 H ASP 66 H ASP 66 -13.960 -11.723 -15.373 136 HA ASP 66 HA ASP 66 -15.544 -10.607 -13.133 137 HB2 ASP 66 HB2 ASP 66 -17.069 -11.944 -14.616 138 HB3 ASP 66 HB3 ASP 66 -16.032 -13.348 -14.366 139 H GLY 67 H GLY 67 -15.363 -12.033 -11.157 140 HA2 GLY 67 HA2 GLY 67 -14.242 -13.325 -9.613 141 HA3 GLY 67 HA3 GLY 67 -13.387 -14.070 -10.948 142 HA PRO 68 HA PRO 68 -10.255 -12.118 -8.216 143 HB2 PRO 68 HB2 PRO 68 -8.004 -13.366 -9.309 144 HB3 PRO 68 HB3 PRO 68 -9.092 -14.089 -8.081 145 HG2 PRO 68 HG2 PRO 68 -9.109 -14.456 -11.087 146 HG3 PRO 68 HG3 PRO 68 -9.242 -15.710 -9.812 147 HD2 PRO 68 HD2 PRO 68 -11.421 -14.773 -11.079 148 HD3 PRO 68 HD3 PRO 68 -11.480 -15.096 -9.317 149 H HIS 69 H HIS 69 -10.052 -12.220 -11.732 150 HA HIS 69 HA HIS 69 -8.066 -9.986 -11.800 151 HB2 HIS 69 HB2 HIS 69 -8.564 -12.317 -13.649 152 HB3 HIS 69 HB3 HIS 69 -7.449 -11.004 -13.985 153 HD2 HIS 69 HD2 HIS 69 -6.216 -13.701 -13.947 154 HE1 HIS 69 HE1 HIS 69 -4.640 -12.862 -10.087 155 HE2 HIS 69 HE2 HIS 69 -4.450 -14.397 -12.108 156 H ALA 70 H ALA 70 -11.198 -9.808 -11.869 157 HA ALA 70 HA ALA 70 -12.064 -9.035 -14.397 158 HB1 ALA 70 HB1 ALA 70 -12.861 -7.842 -11.713 159 HB2 ALA 70 HB2 ALA 70 -13.803 -7.766 -13.219 160 HB3 ALA 70 HB3 ALA 70 -13.514 -9.330 -12.432 161 H GLY 71 H GLY 71 -11.502 -7.513 -15.792 162 HA2 GLY 71 HA2 GLY 71 -10.979 -5.399 -16.626 163 HA3 GLY 71 HA3 GLY 71 -10.639 -4.807 -15.005 164 H LEU 72 H LEU 72 -8.825 -7.612 -15.181 165 HA LEU 72 HA LEU 72 -6.366 -6.178 -15.961 166 HB2 LEU 72 HB2 LEU 72 -6.687 -9.064 -15.082 167 HB3 LEU 72 HB3 LEU 72 -5.196 -8.156 -15.223 168 HG LEU 72 HG LEU 72 -7.339 -7.700 -13.127 169 HD11 LEU 72 HD11 LEU 72 -4.460 -8.638 -12.839 170 HD12 LEU 72 HD12 LEU 72 -5.735 -8.641 -11.607 171 HD13 LEU 72 HD13 LEU 72 -5.807 -9.765 -12.979 172 HD21 LEU 72 HD21 LEU 72 -6.283 -5.554 -13.677 173 HD22 LEU 72 HD22 LEU 72 -5.702 -6.139 -12.113 174 HD23 LEU 72 HD23 LEU 72 -4.667 -6.291 -13.551 175 HA PRO 73 HA PRO 73 -6.171 -7.955 -20.102 176 HB2 PRO 73 HB2 PRO 73 -3.452 -8.270 -20.438 177 HB3 PRO 73 HB3 PRO 73 -4.290 -6.693 -20.545 178 HG2 PRO 73 HG2 PRO 73 -2.833 -7.932 -18.195 179 HG3 PRO 73 HG3 PRO 73 -2.697 -6.254 -18.813 180 HD2 PRO 73 HD2 PRO 73 -4.244 -6.805 -16.682 181 HD3 PRO 73 HD3 PRO 73 -4.786 -5.629 -17.905 182 H VAL 74 H VAL 74 -5.983 -10.000 -21.140 183 HA VAL 74 HA VAL 74 -5.758 -12.217 -19.235 184 HB VAL 74 HB VAL 74 -6.431 -12.444 -22.180 185 HG11 VAL 74 HG11 VAL 74 -6.909 -14.243 -19.774 186 HG12 VAL 74 HG12 VAL 74 -7.543 -14.530 -21.410 187 HG13 VAL 74 HG13 VAL 74 -5.802 -14.576 -21.127 188 HG21 VAL 74 HG21 VAL 74 -8.065 -10.946 -21.108 189 HG22 VAL 74 HG22 VAL 74 -8.795 -12.520 -21.413 190 HG23 VAL 74 HG23 VAL 74 -8.269 -12.100 -19.768 191 H THR 75 H THR 75 -4.004 -11.386 -22.309 192 HA THR 75 HA THR 75 -1.898 -13.344 -21.547 193 HB THR 75 HB THR 75 -1.333 -13.414 -23.838 194 HG1 THR 75 HG1 THR 75 -2.659 -12.072 -25.315 195 HG21 THR 75 HG21 THR 75 -4.369 -13.356 -23.819 196 HG22 THR 75 HG22 THR 75 -3.303 -14.246 -24.924 197 HG23 THR 75 HG23 THR 75 -3.383 -14.707 -23.216 198 H ARG 76 H ARG 76 0.362 -12.831 -22.272 199 HA ARG 76 HA ARG 76 1.452 -10.343 -21.353 200 HB2 ARG 76 HB2 ARG 76 2.431 -12.480 -23.301 201 HB3 ARG 76 HB3 ARG 76 3.349 -10.996 -23.053 202 HG2 ARG 76 HG2 ARG 76 3.603 -11.432 -20.681 203 HG3 ARG 76 HG3 ARG 76 2.627 -12.907 -20.792 204 HD2 ARG 76 HD2 ARG 76 5.105 -12.460 -22.496 205 HD3 ARG 76 HD3 ARG 76 5.226 -13.124 -20.870 206 HE ARG 76 HE ARG 76 3.418 -14.820 -21.876 207 HH11 ARG 76 HH11 ARG 76 6.468 -13.790 -23.362 208 HH12 ARG 76 HH12 ARG 76 6.612 -15.299 -24.223 209 HH21 ARG 76 HH21 ARG 76 3.701 -16.678 -23.039 210 HH22 ARG 76 HH22 ARG 76 5.103 -16.877 -24.043 211 H SER 77 H SER 77 0.385 -11.280 -24.636 212 HA SER 77 HA SER 77 1.117 -8.818 -25.897 213 HB2 SER 77 HB2 SER 77 -1.057 -10.799 -26.669 214 HB3 SER 77 HB3 SER 77 -0.363 -9.538 -27.710 215 HG SER 77 HG SER 77 0.658 -11.597 -28.026 216 H ASP 78 H ASP 78 -1.993 -9.815 -24.321 217 HA ASP 78 HA ASP 78 -3.385 -7.372 -24.866 218 HB2 ASP 78 HB2 ASP 78 -3.586 -9.234 -22.471 219 HB3 ASP 78 HB3 ASP 78 -4.710 -7.930 -22.835 220 H ALA 79 H ALA 79 -1.315 -8.269 -22.053 221 HA ALA 79 HA ALA 79 -1.463 -5.764 -20.682 222 HB1 ALA 79 HB1 ALA 79 0.729 -7.835 -20.728 223 HB2 ALA 79 HB2 ALA 79 0.451 -6.586 -19.474 224 HB3 ALA 79 HB3 ALA 79 -0.722 -7.893 -19.717 225 H ARG 80 H ARG 80 0.894 -6.879 -23.129 226 HA ARG 80 HA ARG 80 2.449 -4.477 -23.265 227 HB2 ARG 80 HB2 ARG 80 2.874 -6.859 -24.226 228 HB3 ARG 80 HB3 ARG 80 1.894 -6.353 -25.611 229 HG2 ARG 80 HG2 ARG 80 3.498 -4.375 -25.842 230 HG3 ARG 80 HG3 ARG 80 4.487 -5.134 -24.592 231 HD2 ARG 80 HD2 ARG 80 4.021 -5.925 -27.444 232 HD3 ARG 80 HD3 ARG 80 5.541 -5.796 -26.566 233 HE ARG 80 HE ARG 80 3.869 -8.120 -26.901 234 HH11 ARG 80 HH11 ARG 80 6.240 -6.860 -24.518 235 HH12 ARG 80 HH12 ARG 80 6.533 -8.534 -24.011 236 HH21 ARG 80 HH21 ARG 80 4.467 -10.110 -26.073 237 HH22 ARG 80 HH22 ARG 80 5.670 -10.133 -24.779 238 H VAL 81 H VAL 81 -0.524 -5.379 -25.041 239 HA VAL 81 HA VAL 81 -0.497 -2.962 -26.676 240 HB VAL 81 HB VAL 81 -2.537 -5.156 -26.220 241 HG11 VAL 81 HG11 VAL 81 -2.740 -2.751 -28.087 242 HG12 VAL 81 HG12 VAL 81 -3.761 -4.201 -28.163 243 HG13 VAL 81 HG13 VAL 81 -3.847 -3.143 -26.755 244 HG21 VAL 81 HG21 VAL 81 -0.469 -5.658 -27.591 245 HG22 VAL 81 HG22 VAL 81 -1.968 -5.756 -28.520 246 HG23 VAL 81 HG23 VAL 81 -0.915 -4.331 -28.678 247 H LEU 82 H LEU 82 -2.050 -3.873 -23.594 248 HA LEU 82 HA LEU 82 -3.539 -1.411 -23.278 249 HB2 LEU 82 HB2 LEU 82 -2.287 -3.309 -21.250 250 HB3 LEU 82 HB3 LEU 82 -3.167 -1.868 -20.783 251 HG LEU 82 HG LEU 82 -4.329 -4.286 -22.208 252 HD11 LEU 82 HD11 LEU 82 -4.918 -3.028 -19.496 253 HD12 LEU 82 HD12 LEU 82 -5.497 -4.588 -20.119 254 HD13 LEU 82 HD13 LEU 82 -3.783 -4.366 -19.736 255 HD21 LEU 82 HD21 LEU 82 -5.510 -2.327 -23.079 256 HD22 LEU 82 HD22 LEU 82 -6.527 -3.153 -21.902 257 HD23 LEU 82 HD23 LEU 82 -5.677 -1.665 -21.434 258 H ILE 83 H ILE 83 -0.194 -2.263 -22.203 259 HA ILE 83 HA ILE 83 0.494 0.319 -21.222 260 HB ILE 83 HB ILE 83 2.138 -1.936 -22.411 261 HG12 ILE 83 HG12 ILE 83 2.070 -0.784 -19.584 262 HG13 ILE 83 HG13 ILE 83 0.970 -2.054 -20.116 263 HG21 ILE 83 HG21 ILE 83 3.162 0.757 -21.404 264 HG22 ILE 83 HG22 ILE 83 4.180 -0.683 -21.527 265 HG23 ILE 83 HG23 ILE 83 3.470 -0.004 -22.983 266 HD11 ILE 83 HD11 ILE 83 4.000 -2.293 -19.989 267 HD12 ILE 83 HD12 ILE 83 2.800 -3.088 -18.955 268 HD13 ILE 83 HD13 ILE 83 2.895 -3.509 -20.674 269 H PHE 84 H PHE 84 0.851 -0.981 -24.567 270 HA PHE 84 HA PHE 84 1.929 1.374 -25.676 271 HB2 PHE 84 HB2 PHE 84 1.851 -0.890 -26.734 272 HB3 PHE 84 HB3 PHE 84 0.140 -0.668 -27.052 273 HD1 PHE 84 HD1 PHE 84 3.470 0.981 -27.608 274 HD2 PHE 84 HD2 PHE 84 -0.569 0.481 -29.021 275 HE1 PHE 84 HE1 PHE 84 4.056 2.206 -29.662 276 HE2 PHE 84 HE2 PHE 84 0.018 1.735 -31.101 277 HZ PHE 84 HZ PHE 84 2.331 2.578 -31.433 278 H ASN 85 H ASN 85 -1.568 0.395 -25.739 279 HA ASN 85 HA ASN 85 -2.455 2.753 -27.057 280 HB2 ASN 85 HB2 ASN 85 -3.744 0.644 -26.904 281 HB3 ASN 85 HB3 ASN 85 -3.920 0.858 -25.159 282 HD21 ASN 85 HD22 ASN 85 -4.806 2.291 -28.335 283 HD22 ASN 85 HD21 ASN 85 -6.212 3.129 -27.703 284 H ASP 86 H ASP 86 -2.214 2.067 -23.524 285 HA ASP 86 HA ASP 86 -3.297 4.565 -22.637 286 HB2 ASP 86 HB2 ASP 86 -3.032 2.584 -21.194 287 HB3 ASP 86 HB3 ASP 86 -1.273 2.715 -21.321 288 H TRP 87 H TRP 87 0.127 3.559 -23.272 289 HA TRP 87 HA TRP 87 1.340 6.075 -22.709 290 HB2 TRP 87 HB2 TRP 87 2.750 4.181 -22.930 291 HB3 TRP 87 HB3 TRP 87 2.066 3.745 -24.491 292 HD1 TRP 87 HD1 TRP 87 4.446 6.356 -22.971 293 HE1 TRP 87 HE1 TRP 87 6.029 7.176 -24.842 294 HE3 TRP 87 HE3 TRP 87 2.204 4.152 -27.037 295 HZ2 TRP 87 HZ2 TRP 87 6.389 6.770 -27.641 296 HZ3 TRP 87 HZ3 TRP 87 3.123 4.509 -29.309 297 HH2 TRP 87 HH2 TRP 87 5.241 5.762 -29.629 298 H GLU 88 H GLU 88 0.009 4.845 -25.866 299 HA GLU 88 HA GLU 88 0.789 7.094 -27.350 300 HB2 GLU 88 HB2 GLU 88 -0.097 4.701 -27.965 301 HB3 GLU 88 HB3 GLU 88 -1.685 5.437 -27.987 302 HG2 GLU 88 HG2 GLU 88 0.747 6.423 -29.541 303 HG3 GLU 88 HG3 GLU 88 -0.335 5.179 -30.148 304 H GLU 89 H GLU 89 -2.381 6.487 -25.684 305 HA GLU 89 HA GLU 89 -3.560 8.988 -26.387 306 HB2 GLU 89 HB2 GLU 89 -4.554 6.800 -25.451 307 HB3 GLU 89 HB3 GLU 89 -4.094 7.379 -23.858 308 HG2 GLU 89 HG2 GLU 89 -5.879 8.845 -25.857 309 HG3 GLU 89 HG3 GLU 89 -6.463 7.764 -24.601 310 H ARG 90 H ARG 90 -1.705 8.011 -23.431 311 HA ARG 90 HA ARG 90 -1.690 10.652 -22.276 312 HB2 ARG 90 HB2 ARG 90 0.183 8.280 -21.901 313 HB3 ARG 90 HB3 ARG 90 0.316 9.785 -21.005 314 HG2 ARG 90 HG2 ARG 90 -2.096 7.940 -20.915 315 HG3 ARG 90 HG3 ARG 90 -0.826 8.045 -19.703 316 HD2 ARG 90 HD2 ARG 90 -2.823 10.225 -20.442 317 HD3 ARG 90 HD3 ARG 90 -2.807 9.228 -18.980 318 HE ARG 90 HE ARG 90 -0.313 10.662 -19.220 319 HH11 ARG 90 HH11 ARG 90 -3.645 11.193 -18.256 320 HH12 ARG 90 HH12 ARG 90 -3.223 12.530 -17.226 321 HH21 ARG 90 HH21 ARG 90 0.119 12.494 -18.044 322 HH22 ARG 90 HH22 ARG 90 -1.138 13.176 -17.035 323 H LYS 91 H LYS 91 0.404 9.236 -24.786 324 HA LYS 91 HA LYS 91 2.268 11.430 -24.775 325 HB2 LYS 91 HB2 LYS 91 2.765 9.185 -25.727 326 HB3 LYS 91 HB3 LYS 91 1.636 9.519 -27.052 327 HG2 LYS 91 HG2 LYS 91 3.033 11.502 -27.687 328 HG3 LYS 91 HG3 LYS 91 4.150 11.110 -26.364 329 HD2 LYS 91 HD2 LYS 91 4.616 8.914 -27.445 330 HD3 LYS 91 HD3 LYS 91 3.497 9.333 -28.760 331 HE2 LYS 91 HE2 LYS 91 4.876 11.382 -29.237 332 HE3 LYS 91 HE3 LYS 91 6.028 10.877 -27.997 333 HZ1 LYS 91 HZ1 LYS 91 5.384 9.323 -30.465 334 HZ2 LYS 91 HZ2 LYS 91 6.739 10.200 -30.234 335 HZ3 LYS 91 HZ3 LYS 91 6.479 8.868 -29.330 336 H ARG 92 H ARG 92 -0.779 10.874 -26.573 337 HA ARG 92 HA ARG 92 -0.719 13.395 -28.009 338 HB2 ARG 92 HB2 ARG 92 -3.066 11.687 -27.080 339 HB3 ARG 92 HB3 ARG 92 -3.222 13.127 -28.088 340 HG2 ARG 92 HG2 ARG 92 -1.851 12.133 -29.847 341 HG3 ARG 92 HG3 ARG 92 -1.521 10.715 -28.846 342 HD2 ARG 92 HD2 ARG 92 -3.984 10.220 -28.806 343 HD3 ARG 92 HD3 ARG 92 -4.234 11.540 -29.959 344 HE ARG 92 HE ARG 92 -2.732 8.975 -30.385 345 HH11 ARG 92 HH11 ARG 92 -4.280 11.710 -31.992 346 HH12 ARG 92 HH12 ARG 92 -3.817 11.120 -33.564 347 HH21 ARG 92 HH21 ARG 92 -1.988 8.489 -32.258 348 HH22 ARG 92 HH22 ARG 92 -2.582 9.239 -33.741 349 H SER 93 H SER 93 -1.806 12.629 -24.667 350 HA SER 93 HA SER 93 -2.410 15.418 -24.087 351 HB2 SER 93 HB2 SER 93 -1.752 13.128 -22.207 352 HB3 SER 93 HB3 SER 93 -2.331 14.731 -21.717 353 HG SER 93 HG SER 93 -4.079 13.252 -21.924 354 H GLU 94 H GLU 94 0.576 13.514 -23.676 355 HA GLU 94 HA GLU 94 2.154 15.914 -22.848 356 HB2 GLU 94 HB2 GLU 94 2.048 13.169 -21.532 357 HB3 GLU 94 HB3 GLU 94 3.210 14.433 -21.166 358 HG2 GLU 94 HG2 GLU 94 1.351 15.936 -20.482 359 HG3 GLU 94 HG3 GLU 94 0.202 14.624 -20.757 360 HA PRO 95 HA PRO 95 3.925 13.740 -26.405 361 HB2 PRO 95 HB2 PRO 95 5.600 15.680 -27.429 362 HB3 PRO 95 HB3 PRO 95 3.819 15.682 -27.593 363 HG2 PRO 95 HG2 PRO 95 5.494 17.123 -25.508 364 HG3 PRO 95 HG3 PRO 95 4.195 17.801 -26.545 365 HD2 PRO 95 HD2 PRO 95 3.676 17.020 -24.014 366 HD3 PRO 95 HD3 PRO 95 2.503 16.660 -25.320 367 H TRP 96 H TRP 96 5.755 14.566 -23.660 368 HA TRP 96 HA TRP 96 8.367 13.601 -24.566 369 HB2 TRP 96 HB2 TRP 96 8.991 14.105 -22.227 370 HB3 TRP 96 HB3 TRP 96 8.251 15.451 -23.069 371 HD1 TRP 96 HD1 TRP 96 7.223 12.706 -20.550 372 HE1 TRP 96 HE1 TRP 96 5.465 13.669 -18.931 373 HE3 TRP 96 HE3 TRP 96 6.495 17.267 -22.768 374 HZ2 TRP 96 HZ2 TRP 96 3.963 16.119 -18.631 375 HZ3 TRP 96 HZ3 TRP 96 4.835 18.866 -21.836 376 HH2 TRP 96 HH2 TRP 96 3.576 18.309 -19.768 377 H LEU 97 H LEU 97 5.638 11.871 -23.787 378 HA LEU 97 HA LEU 97 6.374 10.222 -21.720 379 HB2 LEU 97 HB2 LEU 97 4.149 10.571 -23.262 380 HB3 LEU 97 HB3 LEU 97 4.664 9.058 -23.906 381 HG LEU 97 HG LEU 97 3.336 8.196 -22.318 382 HD11 LEU 97 HD11 LEU 97 5.418 9.005 -20.232 383 HD12 LEU 97 HD12 LEU 97 4.226 7.701 -20.128 384 HD13 LEU 97 HD13 LEU 97 5.540 7.572 -21.284 385 HD21 LEU 97 HD21 LEU 97 2.405 10.371 -21.808 386 HD22 LEU 97 HD22 LEU 97 2.540 9.341 -20.366 387 HD23 LEU 97 HD23 LEU 97 3.698 10.675 -20.628 388 H ARG 98 H ARG 98 7.839 8.603 -21.418 389 HA ARG 98 HA ARG 98 9.142 7.225 -23.688 390 HB2 ARG 98 HB2 ARG 98 9.537 7.008 -20.672 391 HB3 ARG 98 HB3 ARG 98 10.444 6.084 -21.873 392 HG2 ARG 98 HG2 ARG 98 11.241 8.226 -22.898 393 HG3 ARG 98 HG3 ARG 98 10.442 9.118 -21.589 394 HD2 ARG 98 HD2 ARG 98 11.801 7.912 -19.917 395 HD3 ARG 98 HD3 ARG 98 12.590 6.983 -21.187 396 HE ARG 98 HE ARG 98 13.111 9.752 -20.399 397 HH11 ARG 98 HH11 ARG 98 13.575 7.498 -23.075 398 HH12 ARG 98 HH12 ARG 98 14.872 8.454 -23.742 399 HH21 ARG 98 HH21 ARG 98 14.782 10.879 -21.310 400 HH22 ARG 98 HH22 ARG 98 15.544 10.302 -22.760 401 H LEU 99 H LEU 99 9.232 4.960 -23.955 402 HA LEU 99 HA LEU 99 6.930 3.417 -22.839 403 HB2 LEU 99 HB2 LEU 99 6.333 4.311 -24.981 404 HB3 LEU 99 HB3 LEU 99 7.773 3.704 -25.748 405 HG LEU 99 HG LEU 99 5.598 2.536 -26.252 406 HD11 LEU 99 HD11 LEU 99 7.679 0.675 -25.057 407 HD12 LEU 99 HD12 LEU 99 6.538 0.356 -26.354 408 HD13 LEU 99 HD13 LEU 99 7.827 1.527 -26.618 409 HD21 LEU 99 HD21 LEU 99 4.678 2.568 -23.945 410 HD22 LEU 99 HD22 LEU 99 4.590 1.021 -24.789 411 HD23 LEU 99 HD23 LEU 99 5.813 1.259 -23.520 412 H ASP 100 H ASP 100 7.657 1.629 -21.857 413 HA ASP 100 HA ASP 100 9.786 0.001 -23.130 414 HB2 ASP 100 HB2 ASP 100 9.647 0.653 -20.170 415 HB3 ASP 100 HB3 ASP 100 10.649 -0.603 -20.889 416 H MET 101 H MET 101 8.912 -1.964 -23.596 417 HA MET 101 HA MET 101 7.071 -3.245 -21.668 418 HB2 MET 101 HB2 MET 101 5.186 -3.430 -23.156 419 HB3 MET 101 HB3 MET 101 5.604 -1.761 -22.842 420 HG2 MET 101 HG2 MET 101 6.701 -1.588 -25.054 421 HG3 MET 101 HG3 MET 101 6.211 -3.255 -25.397 422 HE1 MET 101 HE1 MET 101 5.282 -2.365 -27.559 423 HE2 MET 101 HE2 MET 101 3.675 -1.649 -27.733 424 HE3 MET 101 HE3 MET 101 5.052 -0.594 -27.389 425 H SER 102 H SER 102 9.568 -4.120 -22.304 426 HA SER 102 HA SER 102 9.396 -6.593 -23.874 427 HB2 SER 102 HB2 SER 102 11.559 -5.510 -23.290 428 HB3 SER 102 HB3 SER 102 11.256 -5.842 -21.577 429 HG SER 102 HG SER 102 12.581 -7.451 -22.685 430 H ASP 103 H ASP 103 9.420 -8.768 -22.806 431 HA ASP 103 HA ASP 103 7.082 -9.178 -21.238 432 HB2 ASP 103 HB2 ASP 103 9.453 -10.939 -21.919 433 HB3 ASP 103 HB3 ASP 103 8.132 -11.506 -20.893 434 H LYS 104 H LYS 104 10.453 -8.815 -20.132 435 HA LYS 104 HA LYS 104 9.971 -9.482 -17.374 436 HB2 LYS 104 HB2 LYS 104 12.159 -9.406 -18.460 437 HB3 LYS 104 HB3 LYS 104 12.055 -7.669 -18.685 438 HG2 LYS 104 HG2 LYS 104 11.820 -8.808 -15.880 439 HG3 LYS 104 HG3 LYS 104 13.392 -8.816 -16.683 440 HD2 LYS 104 HD2 LYS 104 13.220 -6.367 -17.080 441 HD3 LYS 104 HD3 LYS 104 11.708 -6.331 -16.149 442 HE2 LYS 104 HE2 LYS 104 12.886 -7.204 -14.156 443 HE3 LYS 104 HE3 LYS 104 14.376 -7.380 -15.086 444 HZ1 LYS 104 HZ1 LYS 104 13.055 -4.765 -14.516 445 HZ2 LYS 104 HZ2 LYS 104 14.396 -5.331 -13.776 446 HZ3 LYS 104 HZ3 LYS 104 14.445 -4.960 -15.361 447 H ALA 105 H ALA 105 9.558 -6.416 -19.155 448 HA ALA 105 HA ALA 105 8.728 -4.907 -16.796 449 HB1 ALA 105 HB1 ALA 105 8.307 -4.325 -19.761 450 HB2 ALA 105 HB2 ALA 105 8.106 -3.186 -18.417 451 HB3 ALA 105 HB3 ALA 105 9.715 -3.829 -18.793 452 H ILE 106 H ILE 106 6.986 -6.780 -19.343 453 HA ILE 106 HA ILE 106 4.322 -6.224 -18.389 454 HB ILE 106 HB ILE 106 5.219 -8.860 -19.592 455 HG12 ILE 106 HG12 ILE 106 5.892 -7.206 -21.202 456 HG13 ILE 106 HG13 ILE 106 4.433 -7.975 -21.769 457 HG21 ILE 106 HG21 ILE 106 2.529 -7.455 -19.298 458 HG22 ILE 106 HG22 ILE 106 2.803 -8.851 -20.356 459 HG23 ILE 106 HG23 ILE 106 3.021 -9.019 -18.611 460 HD11 ILE 106 HD11 ILE 106 4.640 -5.204 -20.512 461 HD12 ILE 106 HD12 ILE 106 4.386 -5.586 -22.219 462 HD13 ILE 106 HD13 ILE 106 3.118 -5.972 -21.042 463 H PHE 107 H PHE 107 6.515 -8.953 -17.422 464 HA PHE 107 HA PHE 107 4.723 -9.863 -15.390 465 HB2 PHE 107 HB2 PHE 107 7.730 -10.208 -15.656 466 HB3 PHE 107 HB3 PHE 107 6.701 -11.129 -14.568 467 HD1 PHE 107 HD1 PHE 107 4.361 -11.882 -16.182 468 HD2 PHE 107 HD2 PHE 107 8.533 -11.707 -17.277 469 HE1 PHE 107 HE1 PHE 107 4.004 -13.689 -17.839 470 HE2 PHE 107 HE2 PHE 107 8.162 -13.513 -18.944 471 HZ PHE 107 HZ PHE 107 5.912 -14.539 -19.187 472 H ARG 108 H ARG 108 7.372 -7.454 -15.146 473 HA ARG 108 HA ARG 108 7.113 -7.212 -12.253 474 HB2 ARG 108 HB2 ARG 108 8.429 -5.482 -14.381 475 HB3 ARG 108 HB3 ARG 108 8.454 -5.056 -12.683 476 HG2 ARG 108 HG2 ARG 108 9.574 -7.654 -13.825 477 HG3 ARG 108 HG3 ARG 108 10.525 -6.226 -13.442 478 HD2 ARG 108 HD2 ARG 108 8.963 -7.923 -11.450 479 HD3 ARG 108 HD3 ARG 108 10.705 -7.979 -11.734 480 HE ARG 108 HE ARG 108 10.124 -5.300 -11.107 481 HH11 ARG 108 HH11 ARG 108 9.991 -8.372 -9.420 482 HH12 ARG 108 HH12 ARG 108 10.228 -7.631 -7.861 483 HH21 ARG 108 HH21 ARG 108 10.405 -4.418 -9.083 484 HH22 ARG 108 HH22 ARG 108 10.462 -5.449 -7.685 485 H ARG 109 H ARG 109 5.538 -5.453 -14.913 486 HA ARG 109 HA ARG 109 4.143 -3.642 -13.028 487 HB2 ARG 109 HB2 ARG 109 3.841 -4.088 -16.029 488 HB3 ARG 109 HB3 ARG 109 2.946 -2.892 -15.084 489 HG2 ARG 109 HG2 ARG 109 5.094 -1.826 -14.385 490 HG3 ARG 109 HG3 ARG 109 5.985 -2.983 -15.376 491 HD2 ARG 109 HD2 ARG 109 5.802 -0.977 -16.671 492 HD3 ARG 109 HD3 ARG 109 4.727 -2.163 -17.394 493 HE ARG 109 HE ARG 109 2.863 -0.893 -16.773 494 HH11 ARG 109 HH11 ARG 109 5.660 0.538 -15.202 495 HH12 ARG 109 HH12 ARG 109 4.765 1.942 -14.694 496 HH21 ARG 109 HH21 ARG 109 1.786 0.925 -16.076 497 HH22 ARG 109 HH22 ARG 109 2.635 2.151 -15.185 498 H TYR 110 H TYR 110 3.361 -6.594 -14.775 499 HA TYR 110 HA TYR 110 0.775 -6.858 -13.296 500 HB2 TYR 110 HB2 TYR 110 1.375 -7.429 -16.221 501 HB3 TYR 110 HB3 TYR 110 -0.060 -7.938 -15.357 502 HD1 TYR 110 HD1 TYR 110 -1.680 -6.235 -14.442 503 HD2 TYR 110 HD2 TYR 110 1.467 -5.280 -17.237 504 HE1 TYR 110 HE1 TYR 110 -2.993 -4.282 -15.243 505 HE2 TYR 110 HE2 TYR 110 0.159 -3.303 -18.024 506 HH TYR 110 HH TYR 110 -3.054 -2.466 -16.677 507 HA PRO 111 HA PRO 111 3.439 -10.589 -12.587 508 HB2 PRO 111 HB2 PRO 111 2.650 -11.186 -10.033 509 HB3 PRO 111 HB3 PRO 111 3.843 -9.910 -10.421 510 HG2 PRO 111 HG2 PRO 111 0.867 -9.580 -9.911 511 HG3 PRO 111 HG3 PRO 111 2.223 -8.661 -9.178 512 HD2 PRO 111 HD2 PRO 111 0.838 -7.698 -11.302 513 HD3 PRO 111 HD3 PRO 111 2.607 -7.457 -11.182 514 H HIS 112 H HIS 112 -0.041 -10.200 -12.542 515 HA HIS 112 HA HIS 112 -0.749 -12.943 -12.102 516 HB2 HIS 112 HB2 HIS 112 -2.931 -12.275 -12.573 517 HB3 HIS 112 HB3 HIS 112 -2.197 -10.890 -11.776 518 HD2 HIS 112 HD2 HIS 112 -3.844 -12.021 -14.986 519 HE1 HIS 112 HE1 HIS 112 -2.461 -8.081 -15.821 520 HE2 HIS 112 HE2 HIS 112 -3.865 -10.035 -16.701 521 H LEU 113 H LEU 113 0.675 -11.543 -14.919 522 HA LEU 113 HA LEU 113 -0.504 -13.385 -16.846 523 HB2 LEU 113 HB2 LEU 113 2.013 -11.672 -17.008 524 HB3 LEU 113 HB3 LEU 113 1.449 -12.714 -18.293 525 HG LEU 113 HG LEU 113 0.784 -10.547 -18.928 526 HD11 LEU 113 HD11 LEU 113 -1.739 -11.677 -17.653 527 HD12 LEU 113 HD12 LEU 113 -1.619 -10.622 -19.068 528 HD13 LEU 113 HD13 LEU 113 -1.035 -12.300 -19.159 529 HD21 LEU 113 HD21 LEU 113 1.097 -9.446 -16.897 530 HD22 LEU 113 HD22 LEU 113 -0.466 -9.007 -17.612 531 HD23 LEU 113 HD23 LEU 113 -0.407 -10.116 -16.224 532 H ARG 114 H ARG 114 1.639 -13.933 -14.294 533 HA ARG 114 HA ARG 114 2.556 -16.523 -15.467 534 HB2 ARG 114 HB2 ARG 114 3.588 -14.879 -13.130 535 HB3 ARG 114 HB3 ARG 114 3.957 -16.601 -13.331 536 HG2 ARG 114 HG2 ARG 114 4.908 -16.167 -15.572 537 HG3 ARG 114 HG3 ARG 114 4.542 -14.444 -15.390 538 HD2 ARG 114 HD2 ARG 114 6.093 -14.231 -13.547 539 HD3 ARG 114 HD3 ARG 114 6.374 -15.970 -13.503 540 HE ARG 114 HE ARG 114 7.371 -14.028 -15.516 541 HH11 ARG 114 HH11 ARG 114 7.216 -17.422 -14.639 542 HH12 ARG 114 HH12 ARG 114 8.530 -17.847 -15.699 543 HH21 ARG 114 HH21 ARG 114 9.070 -14.643 -16.807 544 HH22 ARG 114 HH22 ARG 114 9.544 -16.313 -16.891 Start of MODEL 7 1 H1 MET 1 H1 MET 1 25.526 0.294 -1.718 2 H2 MET 1 H2 MET 1 25.815 -1.312 -1.748 3 H3 MET 1 H3 MET 1 24.555 -0.734 -0.883 4 HA MET 1 HA MET 1 23.799 -1.775 -2.917 5 HB2 MET 1 HB2 MET 1 22.295 -0.107 -3.708 6 HB3 MET 1 HB3 MET 1 22.431 0.061 -1.973 7 HG2 MET 1 HG2 MET 1 23.827 1.839 -4.022 8 HG3 MET 1 HG3 MET 1 22.300 2.205 -3.253 9 HE1 MET 1 HE1 MET 1 22.457 1.730 -0.223 10 HE2 MET 1 HE2 MET 1 23.168 3.256 0.342 11 HE3 MET 1 HE3 MET 1 21.960 3.273 -0.958 12 H ARG 2 H ARG 2 23.659 -1.791 -5.246 13 HA ARG 2 HA ARG 2 25.688 -0.281 -6.793 14 HB2 ARG 2 HB2 ARG 2 26.847 -2.318 -5.929 15 HB3 ARG 2 HB3 ARG 2 25.628 -3.335 -6.697 16 HG2 ARG 2 HG2 ARG 2 26.309 -2.476 -8.928 17 HG3 ARG 2 HG3 ARG 2 27.512 -1.424 -8.170 18 HD2 ARG 2 HD2 ARG 2 27.458 -4.466 -7.967 19 HD3 ARG 2 HD3 ARG 2 28.422 -3.553 -9.142 20 HE ARG 2 HE ARG 2 29.138 -2.493 -6.661 21 HH11 ARG 2 HH11 ARG 2 29.390 -5.655 -8.156 22 HH12 ARG 2 HH12 ARG 2 30.796 -6.089 -7.222 23 HH21 ARG 2 HH21 ARG 2 30.927 -3.114 -5.492 24 HH22 ARG 2 HH22 ARG 2 31.643 -4.676 -5.756 25 H GLY 3 H GLY 3 25.031 0.185 -8.784 26 HA2 GLY 3 HA2 GLY 3 23.999 0.113 -10.826 27 HA3 GLY 3 HA3 GLY 3 23.513 -1.538 -10.479 28 H SER 4 H SER 4 21.855 -0.439 -11.962 29 HA SER 4 HA SER 4 19.392 0.144 -10.411 30 HB2 SER 4 HB2 SER 4 20.349 1.793 -12.793 31 HB3 SER 4 HB3 SER 4 18.744 1.897 -12.052 32 HG SER 4 HG SER 4 20.181 3.526 -11.266 33 H HIS 5 H HIS 5 17.426 -0.280 -11.690 34 HA HIS 5 HA HIS 5 17.818 -2.398 -13.725 35 HB2 HIS 5 HB2 HIS 5 15.537 -2.932 -13.483 36 HB3 HIS 5 HB3 HIS 5 16.210 -2.752 -11.870 37 HD2 HIS 5 HD2 HIS 5 15.318 -0.651 -10.382 38 HE1 HIS 5 HE1 HIS 5 12.116 0.471 -12.971 39 HE2 HIS 5 HE2 HIS 5 13.142 0.810 -10.666 40 H HIS 6 H HIS 6 17.029 -2.336 -15.809 41 HA HIS 6 HA HIS 6 15.868 0.146 -16.923 42 HB2 HIS 6 HB2 HIS 6 18.434 -1.118 -17.981 43 HB3 HIS 6 HB3 HIS 6 17.517 0.150 -18.782 44 HD2 HIS 6 HD2 HIS 6 17.355 2.586 -17.356 45 HE1 HIS 6 HE1 HIS 6 21.098 1.990 -15.397 46 HE2 HIS 6 HE2 HIS 6 19.310 3.706 -15.986 47 H HIS 7 H HIS 7 14.443 -0.267 -18.542 48 HA HIS 7 HA HIS 7 14.407 -2.900 -19.934 49 HB2 HIS 7 HB2 HIS 7 12.060 -1.687 -18.411 50 HB3 HIS 7 HB3 HIS 7 11.941 -3.032 -19.537 51 HD2 HIS 7 HD2 HIS 7 12.677 -2.264 -15.931 52 HE1 HIS 7 HE1 HIS 7 13.766 -6.354 -16.426 53 HE2 HIS 7 HE2 HIS 7 13.347 -4.505 -14.725 54 H HIS 8 H HIS 8 13.793 -2.749 -22.049 55 HA HIS 8 HA HIS 8 11.943 -0.688 -22.983 56 HB2 HIS 8 HB2 HIS 8 14.082 0.537 -23.125 57 HB3 HIS 8 HB3 HIS 8 14.781 -0.769 -24.083 58 HD2 HIS 8 HD2 HIS 8 11.967 1.918 -24.290 59 HE1 HIS 8 HE1 HIS 8 12.899 0.781 -28.296 60 HE2 HIS 8 HE2 HIS 8 11.526 2.367 -26.848 61 H HIS 9 H HIS 9 10.754 -1.434 -24.705 62 HA HIS 9 HA HIS 9 11.771 -3.141 -26.723 63 HB2 HIS 9 HB2 HIS 9 11.236 -4.817 -24.785 64 HB3 HIS 9 HB3 HIS 9 9.549 -4.512 -25.183 65 HD2 HIS 9 HD2 HIS 9 8.608 -5.760 -27.361 66 HE1 HIS 9 HE1 HIS 9 12.244 -7.530 -28.700 67 HE2 HIS 9 HE2 HIS 9 9.723 -7.439 -29.047 68 H HIS 10 H HIS 10 10.124 -3.582 -28.411 69 HA HIS 10 HA HIS 10 8.305 -1.287 -28.700 70 HB2 HIS 10 HB2 HIS 10 8.285 -1.913 -31.049 71 HB3 HIS 10 HB3 HIS 10 9.926 -1.845 -30.442 72 HD2 HIS 10 HD2 HIS 10 11.424 -3.936 -30.847 73 HE1 HIS 10 HE1 HIS 10 8.434 -6.703 -32.117 74 HE2 HIS 10 HE2 HIS 10 10.940 -6.328 -31.842 75 H GLY 11 H GLY 11 6.307 -1.905 -30.234 76 HA2 GLY 11 HA2 GLY 11 4.903 -4.294 -29.946 77 HA3 GLY 11 HA3 GLY 11 4.324 -3.255 -28.644 78 H SER 12 H SER 12 2.279 -3.600 -29.832 79 HA SER 12 HA SER 12 1.837 -1.670 -32.075 80 HB2 SER 12 HB2 SER 12 0.797 -4.525 -31.879 81 HB3 SER 12 HB3 SER 12 0.378 -3.352 -33.140 82 HG SER 12 HG SER 12 2.066 -4.780 -33.806 83 H GLY 58 H GLY 58 -0.419 -1.138 -32.451 84 HA2 GLY 58 HA2 GLY 58 -1.954 -0.686 -29.982 85 HA3 GLY 58 HA3 GLY 58 -2.282 -0.031 -31.580 86 H ALA 59 H ALA 59 -4.316 -0.594 -32.000 87 HA ALA 59 HA ALA 59 -6.265 -1.677 -32.231 88 HB1 ALA 59 HB1 ALA 59 -4.718 -4.282 -32.403 89 HB2 ALA 59 HB2 ALA 59 -6.322 -3.916 -33.068 90 HB3 ALA 59 HB3 ALA 59 -4.892 -3.120 -33.737 91 H LEU 60 H LEU 60 -7.218 -4.188 -31.229 92 HA LEU 60 HA LEU 60 -7.917 -3.191 -28.566 93 HB2 LEU 60 HB2 LEU 60 -8.973 -5.397 -30.369 94 HB3 LEU 60 HB3 LEU 60 -9.472 -5.260 -28.693 95 HG LEU 60 HG LEU 60 -10.345 -2.986 -29.075 96 HD11 LEU 60 HD11 LEU 60 -9.692 -3.521 -32.007 97 HD12 LEU 60 HD12 LEU 60 -10.780 -2.242 -31.423 98 HD13 LEU 60 HD13 LEU 60 -9.073 -2.188 -30.996 99 HD21 LEU 60 HD21 LEU 60 -11.790 -4.981 -29.240 100 HD22 LEU 60 HD22 LEU 60 -12.323 -3.708 -30.347 101 HD23 LEU 60 HD23 LEU 60 -11.426 -5.108 -30.977 102 H ALA 61 H ALA 61 -7.878 -4.324 -26.636 103 HA ALA 61 HA ALA 61 -6.187 -6.781 -26.439 104 HB1 ALA 61 HB1 ALA 61 -6.380 -4.470 -24.460 105 HB2 ALA 61 HB2 ALA 61 -5.512 -5.992 -24.188 106 HB3 ALA 61 HB3 ALA 61 -4.971 -4.884 -25.457 107 H ALA 62 H ALA 62 -7.030 -8.449 -25.240 108 HA ALA 62 HA ALA 62 -9.854 -8.247 -24.377 109 HB1 ALA 62 HB1 ALA 62 -7.975 -10.631 -24.529 110 HB2 ALA 62 HB2 ALA 62 -9.706 -10.682 -24.143 111 HB3 ALA 62 HB3 ALA 62 -9.173 -10.161 -25.755 112 H LEU 63 H LEU 63 -10.562 -8.537 -22.299 113 HA LEU 63 HA LEU 63 -8.545 -8.532 -20.095 114 HB2 LEU 63 HB2 LEU 63 -11.202 -7.073 -20.083 115 HB3 LEU 63 HB3 LEU 63 -9.968 -7.032 -18.834 116 HG LEU 63 HG LEU 63 -9.741 -5.810 -21.619 117 HD11 LEU 63 HD11 LEU 63 -10.017 -4.513 -18.882 118 HD12 LEU 63 HD12 LEU 63 -9.880 -3.677 -20.441 119 HD13 LEU 63 HD13 LEU 63 -11.310 -4.657 -20.093 120 HD21 LEU 63 HD21 LEU 63 -7.510 -6.393 -20.909 121 HD22 LEU 63 HD22 LEU 63 -7.740 -4.662 -20.701 122 HD23 LEU 63 HD23 LEU 63 -7.800 -5.721 -19.278 123 H HIS 64 H HIS 64 -9.226 -9.516 -18.112 124 HA HIS 64 HA HIS 64 -11.267 -11.645 -18.278 125 HB2 HIS 64 HB2 HIS 64 -9.728 -10.492 -15.944 126 HB3 HIS 64 HB3 HIS 64 -10.833 -11.848 -15.822 127 HD2 HIS 64 HD2 HIS 64 -7.245 -11.071 -16.411 128 HE1 HIS 64 HE1 HIS 64 -7.694 -15.162 -17.520 129 HE2 HIS 64 HE2 HIS 64 -6.008 -13.325 -16.995 130 H ALA 65 H ALA 65 -13.395 -11.495 -17.600 131 HA ALA 65 HA ALA 65 -14.425 -8.769 -17.179 132 HB1 ALA 65 HB1 ALA 65 -15.842 -11.417 -17.668 133 HB2 ALA 65 HB2 ALA 65 -16.571 -9.800 -17.735 134 HB3 ALA 65 HB3 ALA 65 -15.334 -10.257 -18.923 135 H ASP 66 H ASP 66 -13.901 -11.576 -15.156 136 HA ASP 66 HA ASP 66 -15.421 -10.397 -12.903 137 HB2 ASP 66 HB2 ASP 66 -16.997 -11.733 -14.331 138 HB3 ASP 66 HB3 ASP 66 -15.979 -13.150 -14.079 139 H GLY 67 H GLY 67 -15.222 -11.779 -10.905 140 HA2 GLY 67 HA2 GLY 67 -14.089 -13.046 -9.351 141 HA3 GLY 67 HA3 GLY 67 -13.306 -13.863 -10.687 142 HA PRO 68 HA PRO 68 -10.000 -11.968 -8.141 143 HB2 PRO 68 HB2 PRO 68 -7.833 -13.289 -9.311 144 HB3 PRO 68 HB3 PRO 68 -8.897 -13.978 -8.041 145 HG2 PRO 68 HG2 PRO 68 -9.039 -14.347 -11.044 146 HG3 PRO 68 HG3 PRO 68 -9.155 -15.597 -9.763 147 HD2 PRO 68 HD2 PRO 68 -11.357 -14.597 -10.944 148 HD3 PRO 68 HD3 PRO 68 -11.355 -14.921 -9.182 149 H HIS 69 H HIS 69 -9.968 -12.086 -11.660 150 HA HIS 69 HA HIS 69 -7.897 -9.938 -11.836 151 HB2 HIS 69 HB2 HIS 69 -8.570 -12.260 -13.639 152 HB3 HIS 69 HB3 HIS 69 -7.422 -10.995 -14.037 153 HD2 HIS 69 HD2 HIS 69 -6.312 -13.745 -14.031 154 HE1 HIS 69 HE1 HIS 69 -4.469 -12.915 -10.292 155 HE2 HIS 69 HE2 HIS 69 -4.475 -14.494 -12.284 156 H ALA 70 H ALA 70 -11.037 -9.655 -11.792 157 HA ALA 70 HA ALA 70 -11.946 -8.892 -14.307 158 HB1 ALA 70 HB1 ALA 70 -12.662 -7.656 -11.622 159 HB2 ALA 70 HB2 ALA 70 -13.633 -7.579 -13.110 160 HB3 ALA 70 HB3 ALA 70 -13.355 -9.139 -12.312 161 H GLY 71 H GLY 71 -11.387 -7.405 -15.733 162 HA2 GLY 71 HA2 GLY 71 -10.850 -5.310 -16.610 163 HA3 GLY 71 HA3 GLY 71 -10.444 -4.706 -15.007 164 H LEU 72 H LEU 72 -8.695 -7.544 -15.176 165 HA LEU 72 HA LEU 72 -6.226 -6.182 -16.028 166 HB2 LEU 72 HB2 LEU 72 -6.630 -9.065 -15.168 167 HB3 LEU 72 HB3 LEU 72 -5.106 -8.227 -15.361 168 HG LEU 72 HG LEU 72 -7.149 -7.679 -13.186 169 HD11 LEU 72 HD11 LEU 72 -4.309 -8.745 -12.983 170 HD12 LEU 72 HD12 LEU 72 -5.557 -8.715 -11.726 171 HD13 LEU 72 HD13 LEU 72 -5.699 -9.818 -13.111 172 HD21 LEU 72 HD21 LEU 72 -6.014 -5.584 -13.765 173 HD22 LEU 72 HD22 LEU 72 -5.402 -6.204 -12.227 174 HD23 LEU 72 HD23 LEU 72 -4.431 -6.397 -13.702 175 HA PRO 73 HA PRO 73 -6.197 -7.908 -20.203 176 HB2 PRO 73 HB2 PRO 73 -3.492 -8.244 -20.628 177 HB3 PRO 73 HB3 PRO 73 -4.317 -6.658 -20.693 178 HG2 PRO 73 HG2 PRO 73 -2.793 -7.930 -18.403 179 HG3 PRO 73 HG3 PRO 73 -2.668 -6.248 -19.014 180 HD2 PRO 73 HD2 PRO 73 -4.145 -6.832 -16.831 181 HD3 PRO 73 HD3 PRO 73 -4.710 -5.619 -18.006 182 H VAL 74 H VAL 74 -6.128 -9.963 -21.222 183 HA VAL 74 HA VAL 74 -5.828 -12.172 -19.330 184 HB VAL 74 HB VAL 74 -6.568 -12.407 -22.257 185 HG11 VAL 74 HG11 VAL 74 -6.955 -14.214 -19.838 186 HG12 VAL 74 HG12 VAL 74 -7.632 -14.512 -21.454 187 HG13 VAL 74 HG13 VAL 74 -5.881 -14.533 -21.220 188 HG21 VAL 74 HG21 VAL 74 -8.186 -10.934 -21.125 189 HG22 VAL 74 HG22 VAL 74 -8.909 -12.511 -21.426 190 HG23 VAL 74 HG23 VAL 74 -8.343 -12.098 -19.792 191 H THR 75 H THR 75 -4.169 -11.398 -22.476 192 HA THR 75 HA THR 75 -2.058 -13.357 -21.746 193 HB THR 75 HB THR 75 -1.560 -13.468 -24.047 194 HG1 THR 75 HG1 THR 75 -2.914 -12.126 -25.503 195 HG21 THR 75 HG21 THR 75 -4.592 -13.359 -23.948 196 HG22 THR 75 HG22 THR 75 -3.570 -14.283 -25.066 197 HG23 THR 75 HG23 THR 75 -3.612 -14.717 -23.350 198 H ARG 76 H ARG 76 0.167 -12.899 -22.563 199 HA ARG 76 HA ARG 76 1.339 -10.433 -21.629 200 HB2 ARG 76 HB2 ARG 76 2.291 -12.555 -23.615 201 HB3 ARG 76 HB3 ARG 76 3.306 -11.221 -23.060 202 HG2 ARG 76 HG2 ARG 76 3.328 -12.010 -20.796 203 HG3 ARG 76 HG3 ARG 76 1.993 -13.127 -21.086 204 HD2 ARG 76 HD2 ARG 76 4.042 -14.387 -20.966 205 HD3 ARG 76 HD3 ARG 76 3.364 -14.467 -22.608 206 HE ARG 76 HE ARG 76 5.300 -12.347 -22.426 207 HH11 ARG 76 HH11 ARG 76 5.228 -15.843 -22.499 208 HH12 ARG 76 HH12 ARG 76 6.774 -15.952 -23.290 209 HH21 ARG 76 HH21 ARG 76 7.239 -12.551 -23.560 210 HH22 ARG 76 HH22 ARG 76 7.884 -14.137 -23.846 211 H SER 77 H SER 77 0.167 -11.390 -24.857 212 HA SER 77 HA SER 77 0.931 -8.984 -26.221 213 HB2 SER 77 HB2 SER 77 -1.377 -10.866 -26.837 214 HB3 SER 77 HB3 SER 77 -0.650 -9.681 -27.938 215 HG SER 77 HG SER 77 0.207 -11.805 -28.260 216 H ASP 78 H ASP 78 -2.150 -9.875 -24.509 217 HA ASP 78 HA ASP 78 -3.480 -7.394 -25.033 218 HB2 ASP 78 HB2 ASP 78 -3.694 -9.247 -22.633 219 HB3 ASP 78 HB3 ASP 78 -4.788 -7.914 -22.980 220 H ALA 79 H ALA 79 -1.313 -8.328 -22.311 221 HA ALA 79 HA ALA 79 -1.364 -5.826 -20.933 222 HB1 ALA 79 HB1 ALA 79 0.852 -7.873 -21.068 223 HB2 ALA 79 HB2 ALA 79 0.569 -6.640 -19.804 224 HB3 ALA 79 HB3 ALA 79 -0.578 -7.974 -20.023 225 H ARG 80 H ARG 80 0.889 -6.950 -23.502 226 HA ARG 80 HA ARG 80 2.415 -4.540 -23.744 227 HB2 ARG 80 HB2 ARG 80 3.006 -6.759 -24.679 228 HB3 ARG 80 HB3 ARG 80 1.681 -6.646 -25.840 229 HG2 ARG 80 HG2 ARG 80 2.729 -4.651 -26.882 230 HG3 ARG 80 HG3 ARG 80 4.043 -4.731 -25.706 231 HD2 ARG 80 HD2 ARG 80 3.365 -6.847 -27.794 232 HD3 ARG 80 HD3 ARG 80 4.687 -5.691 -27.914 233 HE ARG 80 HE ARG 80 4.696 -8.189 -26.496 234 HH11 ARG 80 HH11 ARG 80 6.316 -5.056 -26.458 235 HH12 ARG 80 HH12 ARG 80 7.155 -5.446 -24.970 236 HH21 ARG 80 HH21 ARG 80 6.253 -8.773 -25.017 237 HH22 ARG 80 HH22 ARG 80 7.436 -7.608 -24.499 238 H VAL 81 H VAL 81 -0.665 -5.444 -25.356 239 HA VAL 81 HA VAL 81 -0.744 -3.040 -26.999 240 HB VAL 81 HB VAL 81 -2.816 -5.142 -26.292 241 HG11 VAL 81 HG11 VAL 81 -3.066 -2.756 -28.170 242 HG12 VAL 81 HG12 VAL 81 -4.154 -4.155 -28.179 243 HG13 VAL 81 HG13 VAL 81 -4.082 -3.108 -26.760 244 HG21 VAL 81 HG21 VAL 81 -0.918 -5.807 -27.828 245 HG22 VAL 81 HG22 VAL 81 -2.508 -5.862 -28.599 246 HG23 VAL 81 HG23 VAL 81 -1.408 -4.509 -28.922 247 H LEU 82 H LEU 82 -2.126 -3.939 -23.821 248 HA LEU 82 HA LEU 82 -3.573 -1.473 -23.427 249 HB2 LEU 82 HB2 LEU 82 -2.296 -3.422 -21.464 250 HB3 LEU 82 HB3 LEU 82 -3.100 -1.953 -20.942 251 HG LEU 82 HG LEU 82 -4.406 -4.328 -22.306 252 HD11 LEU 82 HD11 LEU 82 -4.880 -2.976 -19.616 253 HD12 LEU 82 HD12 LEU 82 -5.526 -4.530 -20.175 254 HD13 LEU 82 HD13 LEU 82 -3.797 -4.358 -19.843 255 HD21 LEU 82 HD21 LEU 82 -5.545 -2.361 -23.199 256 HD22 LEU 82 HD22 LEU 82 -6.550 -3.094 -21.954 257 HD23 LEU 82 HD23 LEU 82 -5.622 -1.630 -21.575 258 H ILE 83 H ILE 83 -0.198 -2.323 -22.427 259 HA ILE 83 HA ILE 83 0.401 0.272 -21.388 260 HB ILE 83 HB ILE 83 2.206 -1.846 -22.600 261 HG12 ILE 83 HG12 ILE 83 1.891 -1.045 -19.672 262 HG13 ILE 83 HG13 ILE 83 0.887 -2.286 -20.411 263 HG21 ILE 83 HG21 ILE 83 2.914 0.793 -21.222 264 HG22 ILE 83 HG22 ILE 83 4.065 -0.534 -21.363 265 HG23 ILE 83 HG23 ILE 83 3.443 0.236 -22.824 266 HD11 ILE 83 HD11 ILE 83 3.908 -2.399 -20.104 267 HD12 ILE 83 HD12 ILE 83 2.682 -3.405 -19.312 268 HD13 ILE 83 HD13 ILE 83 2.949 -3.556 -21.058 269 H PHE 84 H PHE 84 0.792 -1.011 -24.745 270 HA PHE 84 HA PHE 84 1.893 1.363 -25.822 271 HB2 PHE 84 HB2 PHE 84 1.812 -0.901 -26.904 272 HB3 PHE 84 HB3 PHE 84 0.108 -0.647 -27.240 273 HD1 PHE 84 HD1 PHE 84 3.548 0.658 -27.885 274 HD2 PHE 84 HD2 PHE 84 -0.597 0.819 -29.034 275 HE1 PHE 84 HE1 PHE 84 4.166 1.980 -29.871 276 HE2 PHE 84 HE2 PHE 84 0.025 2.117 -31.069 277 HZ PHE 84 HZ PHE 84 2.407 2.687 -31.499 278 H ASN 85 H ASN 85 -1.604 0.385 -25.806 279 HA ASN 85 HA ASN 85 -2.533 2.760 -27.078 280 HB2 ASN 85 HB2 ASN 85 -3.906 0.792 -25.187 281 HB3 ASN 85 HB3 ASN 85 -4.751 2.078 -26.046 282 HD21 ASN 85 HD22 ASN 85 -5.694 -0.394 -26.466 283 HD22 ASN 85 HD21 ASN 85 -5.221 -0.959 -28.068 284 H ASP 86 H ASP 86 -2.212 2.011 -23.577 285 HA ASP 86 HA ASP 86 -3.291 4.467 -22.585 286 HB2 ASP 86 HB2 ASP 86 -2.998 2.384 -21.277 287 HB3 ASP 86 HB3 ASP 86 -1.243 2.563 -21.378 288 H TRP 87 H TRP 87 0.114 3.487 -23.300 289 HA TRP 87 HA TRP 87 1.384 5.966 -22.720 290 HB2 TRP 87 HB2 TRP 87 2.745 4.051 -23.119 291 HB3 TRP 87 HB3 TRP 87 1.976 3.723 -24.665 292 HD1 TRP 87 HD1 TRP 87 4.328 6.347 -23.106 293 HE1 TRP 87 HE1 TRP 87 5.942 7.167 -24.938 294 HE3 TRP 87 HE3 TRP 87 2.113 4.210 -27.237 295 HZ2 TRP 87 HZ2 TRP 87 6.358 6.755 -27.742 296 HZ3 TRP 87 HZ3 TRP 87 3.104 4.530 -29.473 297 HH2 TRP 87 HH2 TRP 87 5.245 5.758 -29.749 298 H GLU 88 H GLU 88 0.049 4.817 -25.925 299 HA GLU 88 HA GLU 88 0.807 7.125 -27.274 300 HB2 GLU 88 HB2 GLU 88 -0.096 4.758 -28.096 301 HB3 GLU 88 HB3 GLU 88 -1.665 5.580 -28.082 302 HG2 GLU 88 HG2 GLU 88 -0.399 7.438 -29.389 303 HG3 GLU 88 HG3 GLU 88 0.881 6.258 -29.590 304 H GLU 89 H GLU 89 -2.360 6.465 -25.625 305 HA GLU 89 HA GLU 89 -3.600 8.941 -26.321 306 HB2 GLU 89 HB2 GLU 89 -4.752 6.936 -25.439 307 HB3 GLU 89 HB3 GLU 89 -3.938 7.140 -23.878 308 HG2 GLU 89 HG2 GLU 89 -5.020 9.311 -23.572 309 HG3 GLU 89 HG3 GLU 89 -5.750 9.204 -25.179 310 H ARG 90 H ARG 90 -1.660 8.023 -23.388 311 HA ARG 90 HA ARG 90 -1.721 10.709 -22.301 312 HB2 ARG 90 HB2 ARG 90 0.195 8.409 -21.770 313 HB3 ARG 90 HB3 ARG 90 0.143 9.931 -20.858 314 HG2 ARG 90 HG2 ARG 90 -2.173 9.496 -20.153 315 HG3 ARG 90 HG3 ARG 90 -2.186 7.989 -21.070 316 HD2 ARG 90 HD2 ARG 90 -0.083 7.353 -19.665 317 HD3 ARG 90 HD3 ARG 90 -0.577 8.652 -18.577 318 HE ARG 90 HE ARG 90 -1.821 6.033 -19.056 319 HH11 ARG 90 HH11 ARG 90 -2.433 9.122 -17.460 320 HH12 ARG 90 HH12 ARG 90 -3.847 8.494 -16.661 321 HH21 ARG 90 HH21 ARG 90 -3.639 5.419 -18.243 322 HH22 ARG 90 HH22 ARG 90 -4.506 6.372 -17.039 323 H LYS 91 H LYS 91 0.365 9.251 -24.748 324 HA LYS 91 HA LYS 91 2.263 11.431 -24.782 325 HB2 LYS 91 HB2 LYS 91 2.757 9.137 -25.585 326 HB3 LYS 91 HB3 LYS 91 1.679 9.405 -26.967 327 HG2 LYS 91 HG2 LYS 91 3.105 11.265 -27.742 328 HG3 LYS 91 HG3 LYS 91 4.122 11.108 -26.293 329 HD2 LYS 91 HD2 LYS 91 4.693 8.795 -26.972 330 HD3 LYS 91 HD3 LYS 91 3.770 8.980 -28.464 331 HE2 LYS 91 HE2 LYS 91 6.151 10.729 -27.641 332 HE3 LYS 91 HE3 LYS 91 6.288 9.291 -28.651 333 HZ1 LYS 91 HZ1 LYS 91 4.738 11.731 -29.391 334 HZ2 LYS 91 HZ2 LYS 91 6.163 11.265 -30.029 335 HZ3 LYS 91 HZ3 LYS 91 4.832 10.368 -30.301 336 H ARG 92 H ARG 92 -0.762 10.818 -26.586 337 HA ARG 92 HA ARG 92 -0.661 13.290 -28.119 338 HB2 ARG 92 HB2 ARG 92 -3.016 11.603 -27.160 339 HB3 ARG 92 HB3 ARG 92 -3.182 13.005 -28.203 340 HG2 ARG 92 HG2 ARG 92 -1.551 10.531 -28.933 341 HG3 ARG 92 HG3 ARG 92 -3.225 10.812 -29.400 342 HD2 ARG 92 HD2 ARG 92 -2.509 12.898 -30.605 343 HD3 ARG 92 HD3 ARG 92 -0.840 12.543 -30.172 344 HE ARG 92 HE ARG 92 -0.736 10.828 -31.723 345 HH11 ARG 92 HH11 ARG 92 -4.079 11.904 -31.616 346 HH12 ARG 92 HH12 ARG 92 -4.497 11.022 -33.057 347 HH21 ARG 92 HH21 ARG 92 -1.346 9.734 -33.550 348 HH22 ARG 92 HH22 ARG 92 -2.985 9.826 -34.118 349 H SER 93 H SER 93 -1.813 12.599 -24.786 350 HA SER 93 HA SER 93 -2.463 15.375 -24.273 351 HB2 SER 93 HB2 SER 93 -1.707 13.197 -22.301 352 HB3 SER 93 HB3 SER 93 -2.415 14.771 -21.904 353 HG SER 93 HG SER 93 -4.046 13.171 -22.059 354 H GLU 94 H GLU 94 0.557 13.538 -23.651 355 HA GLU 94 HA GLU 94 2.080 16.045 -23.081 356 HB2 GLU 94 HB2 GLU 94 1.966 13.487 -21.437 357 HB3 GLU 94 HB3 GLU 94 3.125 14.796 -21.215 358 HG2 GLU 94 HG2 GLU 94 1.216 16.371 -20.813 359 HG3 GLU 94 HG3 GLU 94 0.106 14.997 -20.872 360 HA PRO 95 HA PRO 95 3.940 13.663 -26.359 361 HB2 PRO 95 HB2 PRO 95 5.739 15.462 -27.415 362 HB3 PRO 95 HB3 PRO 95 3.964 15.590 -27.583 363 HG2 PRO 95 HG2 PRO 95 5.733 16.938 -25.513 364 HG3 PRO 95 HG3 PRO 95 4.503 17.698 -26.577 365 HD2 PRO 95 HD2 PRO 95 3.891 17.004 -24.041 366 HD3 PRO 95 HD3 PRO 95 2.714 16.710 -25.360 367 H TRP 96 H TRP 96 5.806 14.439 -23.620 368 HA TRP 96 HA TRP 96 8.378 13.388 -24.536 369 HB2 TRP 96 HB2 TRP 96 9.022 13.949 -22.183 370 HB3 TRP 96 HB3 TRP 96 8.377 15.277 -23.125 371 HD1 TRP 96 HD1 TRP 96 7.026 12.718 -20.545 372 HE1 TRP 96 HE1 TRP 96 5.295 13.886 -19.041 373 HE3 TRP 96 HE3 TRP 96 6.867 17.274 -22.884 374 HZ2 TRP 96 HZ2 TRP 96 3.998 16.464 -18.892 375 HZ3 TRP 96 HZ3 TRP 96 5.318 19.042 -22.081 376 HH2 TRP 96 HH2 TRP 96 3.888 18.653 -20.087 377 H LEU 97 H LEU 97 5.669 11.706 -23.717 378 HA LEU 97 HA LEU 97 6.400 10.107 -21.580 379 HB2 LEU 97 HB2 LEU 97 4.161 10.524 -23.026 380 HB3 LEU 97 HB3 LEU 97 4.602 9.020 -23.749 381 HG LEU 97 HG LEU 97 3.384 8.046 -22.155 382 HD11 LEU 97 HD11 LEU 97 5.356 9.003 -20.030 383 HD12 LEU 97 HD12 LEU 97 4.188 7.682 -19.896 384 HD13 LEU 97 HD13 LEU 97 5.534 7.520 -21.006 385 HD21 LEU 97 HD21 LEU 97 2.315 10.169 -21.756 386 HD22 LEU 97 HD22 LEU 97 2.427 9.198 -20.278 387 HD23 LEU 97 HD23 LEU 97 3.532 10.585 -20.527 388 H ARG 98 H ARG 98 7.781 8.419 -21.265 389 HA ARG 98 HA ARG 98 9.112 6.986 -23.452 390 HB2 ARG 98 HB2 ARG 98 9.088 6.614 -20.422 391 HB3 ARG 98 HB3 ARG 98 9.924 5.530 -21.527 392 HG2 ARG 98 HG2 ARG 98 11.262 7.485 -22.392 393 HG3 ARG 98 HG3 ARG 98 10.513 8.489 -21.138 394 HD2 ARG 98 HD2 ARG 98 12.683 7.705 -20.343 395 HD3 ARG 98 HD3 ARG 98 11.409 6.947 -19.393 396 HE ARG 98 HE ARG 98 11.761 4.850 -20.490 397 HH11 ARG 98 HH11 ARG 98 14.295 7.137 -21.369 398 HH12 ARG 98 HH12 ARG 98 15.262 5.888 -22.101 399 HH21 ARG 98 HH21 ARG 98 12.889 3.421 -21.594 400 HH22 ARG 98 HH22 ARG 98 14.512 3.783 -22.163 401 H LEU 99 H LEU 99 9.032 4.763 -23.874 402 HA LEU 99 HA LEU 99 6.582 3.298 -22.996 403 HB2 LEU 99 HB2 LEU 99 6.288 4.255 -25.194 404 HB3 LEU 99 HB3 LEU 99 7.733 3.508 -25.805 405 HG LEU 99 HG LEU 99 5.356 2.575 -26.350 406 HD11 LEU 99 HD11 LEU 99 7.373 0.506 -25.430 407 HD12 LEU 99 HD12 LEU 99 6.242 0.425 -26.794 408 HD13 LEU 99 HD13 LEU 99 7.613 1.509 -26.871 409 HD21 LEU 99 HD21 LEU 99 4.562 2.468 -24.025 410 HD22 LEU 99 HD22 LEU 99 4.374 0.979 -24.944 411 HD23 LEU 99 HD23 LEU 99 5.674 1.104 -23.737 412 H ASP 100 H ASP 100 7.493 2.012 -21.524 413 HA ASP 100 HA ASP 100 9.898 0.366 -22.245 414 HB2 ASP 100 HB2 ASP 100 9.093 1.562 -19.575 415 HB3 ASP 100 HB3 ASP 100 10.463 0.492 -19.841 416 H MET 101 H MET 101 8.864 -1.511 -22.910 417 HA MET 101 HA MET 101 7.302 -3.008 -20.888 418 HB2 MET 101 HB2 MET 101 5.498 -3.507 -22.405 419 HB3 MET 101 HB3 MET 101 5.610 -1.824 -21.935 420 HG2 MET 101 HG2 MET 101 6.418 -1.163 -24.108 421 HG3 MET 101 HG3 MET 101 6.575 -2.853 -24.619 422 HE1 MET 101 HE1 MET 101 5.412 -2.135 -26.678 423 HE2 MET 101 HE2 MET 101 3.641 -2.107 -26.859 424 HE3 MET 101 HE3 MET 101 4.500 -0.636 -26.377 425 H SER 102 H SER 102 9.737 -3.819 -21.242 426 HA SER 102 HA SER 102 10.074 -5.963 -23.188 427 HB2 SER 102 HB2 SER 102 11.862 -6.649 -21.678 428 HB3 SER 102 HB3 SER 102 11.892 -4.875 -21.880 429 HG SER 102 HG SER 102 12.046 -5.451 -19.655 430 H ASP 103 H ASP 103 10.032 -8.341 -22.461 431 HA ASP 103 HA ASP 103 7.477 -9.061 -21.359 432 HB2 ASP 103 HB2 ASP 103 8.265 -11.313 -21.384 433 HB3 ASP 103 HB3 ASP 103 8.804 -10.519 -22.854 434 H LYS 104 H LYS 104 10.693 -8.725 -19.886 435 HA LYS 104 HA LYS 104 10.056 -9.510 -17.208 436 HB2 LYS 104 HB2 LYS 104 12.096 -7.508 -18.250 437 HB3 LYS 104 HB3 LYS 104 12.022 -8.134 -16.592 438 HG2 LYS 104 HG2 LYS 104 12.296 -10.460 -17.484 439 HG3 LYS 104 HG3 LYS 104 12.481 -9.787 -19.116 440 HD2 LYS 104 HD2 LYS 104 14.442 -8.465 -18.334 441 HD3 LYS 104 HD3 LYS 104 14.269 -9.205 -16.723 442 HE2 LYS 104 HE2 LYS 104 14.587 -11.458 -17.726 443 HE3 LYS 104 HE3 LYS 104 14.736 -10.732 -19.330 444 HZ1 LYS 104 HZ1 LYS 104 16.610 -10.247 -17.062 445 HZ2 LYS 104 HZ2 LYS 104 16.921 -11.185 -18.359 446 HZ3 LYS 104 HZ3 LYS 104 16.747 -9.575 -18.549 447 H ALA 105 H ALA 105 9.885 -6.239 -18.743 448 HA ALA 105 HA ALA 105 8.827 -4.952 -16.415 449 HB1 ALA 105 HB1 ALA 105 8.545 -4.213 -19.346 450 HB2 ALA 105 HB2 ALA 105 8.278 -3.129 -17.961 451 HB3 ALA 105 HB3 ALA 105 9.900 -3.769 -18.285 452 H ILE 106 H ILE 106 7.132 -6.600 -19.142 453 HA ILE 106 HA ILE 106 4.441 -5.978 -18.243 454 HB ILE 106 HB ILE 106 5.510 -8.218 -19.976 455 HG12 ILE 106 HG12 ILE 106 3.928 -5.695 -20.680 456 HG13 ILE 106 HG13 ILE 106 5.681 -5.755 -20.739 457 HG21 ILE 106 HG21 ILE 106 2.621 -7.382 -19.400 458 HG22 ILE 106 HG22 ILE 106 3.107 -8.499 -20.689 459 HG23 ILE 106 HG23 ILE 106 3.360 -8.954 -19.002 460 HD11 ILE 106 HD11 ILE 106 3.790 -7.379 -22.471 461 HD12 ILE 106 HD12 ILE 106 4.870 -6.065 -22.957 462 HD13 ILE 106 HD13 ILE 106 5.555 -7.607 -22.407 463 H PHE 107 H PHE 107 6.553 -8.825 -17.456 464 HA PHE 107 HA PHE 107 4.650 -9.874 -15.571 465 HB2 PHE 107 HB2 PHE 107 7.659 -10.243 -15.714 466 HB3 PHE 107 HB3 PHE 107 6.563 -11.208 -14.739 467 HD1 PHE 107 HD1 PHE 107 4.324 -11.900 -16.463 468 HD2 PHE 107 HD2 PHE 107 8.517 -11.611 -17.421 469 HE1 PHE 107 HE1 PHE 107 4.024 -13.552 -18.293 470 HE2 PHE 107 HE2 PHE 107 8.209 -13.225 -19.273 471 HZ PHE 107 HZ PHE 107 5.967 -14.205 -19.710 472 H ARG 108 H ARG 108 7.239 -7.442 -15.099 473 HA ARG 108 HA ARG 108 6.892 -7.362 -12.202 474 HB2 ARG 108 HB2 ARG 108 8.248 -5.501 -14.189 475 HB3 ARG 108 HB3 ARG 108 8.228 -5.183 -12.461 476 HG2 ARG 108 HG2 ARG 108 9.358 -7.758 -13.642 477 HG3 ARG 108 HG3 ARG 108 10.317 -6.303 -13.347 478 HD2 ARG 108 HD2 ARG 108 9.744 -6.409 -10.943 479 HD3 ARG 108 HD3 ARG 108 8.802 -7.890 -11.234 480 HE ARG 108 HE ARG 108 11.385 -8.331 -12.284 481 HH11 ARG 108 HH11 ARG 108 10.000 -7.859 -9.098 482 HH12 ARG 108 HH12 ARG 108 11.255 -8.781 -8.316 483 HH21 ARG 108 HH21 ARG 108 12.956 -9.495 -11.223 484 HH22 ARG 108 HH22 ARG 108 12.883 -9.682 -9.498 485 H ARG 109 H ARG 109 5.534 -5.379 -14.831 486 HA ARG 109 HA ARG 109 3.993 -3.612 -13.086 487 HB2 ARG 109 HB2 ARG 109 3.686 -4.382 -16.023 488 HB3 ARG 109 HB3 ARG 109 2.705 -3.161 -15.213 489 HG2 ARG 109 HG2 ARG 109 4.683 -1.770 -14.780 490 HG3 ARG 109 HG3 ARG 109 5.738 -2.981 -15.508 491 HD2 ARG 109 HD2 ARG 109 4.312 -2.795 -17.622 492 HD3 ARG 109 HD3 ARG 109 3.551 -1.374 -16.911 493 HE ARG 109 HE ARG 109 6.139 -1.566 -18.190 494 HH11 ARG 109 HH11 ARG 109 4.571 0.326 -15.671 495 HH12 ARG 109 HH12 ARG 109 5.635 1.676 -15.926 496 HH21 ARG 109 HH21 ARG 109 7.354 0.181 -18.525 497 HH22 ARG 109 HH22 ARG 109 7.217 1.583 -17.484 498 H TYR 110 H TYR 110 3.293 -6.653 -14.763 499 HA TYR 110 HA TYR 110 0.734 -6.993 -13.252 500 HB2 TYR 110 HB2 TYR 110 1.310 -7.386 -16.205 501 HB3 TYR 110 HB3 TYR 110 -0.107 -7.987 -15.372 502 HD1 TYR 110 HD1 TYR 110 -1.718 -6.342 -14.276 503 HD2 TYR 110 HD2 TYR 110 1.328 -5.203 -17.115 504 HE1 TYR 110 HE1 TYR 110 -3.030 -4.312 -14.865 505 HE2 TYR 110 HE2 TYR 110 0.023 -3.154 -17.685 506 HH TYR 110 HH TYR 110 -3.125 -2.392 -16.148 507 HA PRO 111 HA PRO 111 3.441 -10.709 -12.685 508 HB2 PRO 111 HB2 PRO 111 2.590 -11.462 -10.191 509 HB3 PRO 111 HB3 PRO 111 3.767 -10.145 -10.478 510 HG2 PRO 111 HG2 PRO 111 0.773 -9.899 -10.032 511 HG3 PRO 111 HG3 PRO 111 2.092 -8.992 -9.222 512 HD2 PRO 111 HD2 PRO 111 0.741 -7.948 -11.324 513 HD3 PRO 111 HD3 PRO 111 2.504 -7.686 -11.155 514 H HIS 112 H HIS 112 -0.051 -10.436 -12.716 515 HA HIS 112 HA HIS 112 -0.664 -13.231 -12.472 516 HB2 HIS 112 HB2 HIS 112 -2.854 -12.618 -12.975 517 HB3 HIS 112 HB3 HIS 112 -2.203 -11.277 -12.037 518 HD2 HIS 112 HD2 HIS 112 -3.783 -12.166 -15.331 519 HE1 HIS 112 HE1 HIS 112 -2.408 -8.174 -15.880 520 HE2 HIS 112 HE2 HIS 112 -3.800 -10.065 -16.898 521 H LEU 113 H LEU 113 0.775 -11.575 -15.152 522 HA LEU 113 HA LEU 113 -0.285 -13.322 -17.231 523 HB2 LEU 113 HB2 LEU 113 2.163 -11.506 -17.198 524 HB3 LEU 113 HB3 LEU 113 1.696 -12.493 -18.563 525 HG LEU 113 HG LEU 113 0.959 -10.339 -19.112 526 HD11 LEU 113 HD11 LEU 113 -1.560 -11.594 -17.944 527 HD12 LEU 113 HD12 LEU 113 -1.438 -10.484 -19.316 528 HD13 LEU 113 HD13 LEU 113 -0.803 -12.139 -19.456 529 HD21 LEU 113 HD21 LEU 113 1.192 -9.325 -17.036 530 HD22 LEU 113 HD22 LEU 113 -0.377 -8.904 -17.750 531 HD23 LEU 113 HD23 LEU 113 -0.294 -10.080 -16.415 532 H ARG 114 H ARG 114 1.811 -13.963 -14.669 533 HA ARG 114 HA ARG 114 2.723 -16.493 -15.959 534 HB2 ARG 114 HB2 ARG 114 3.789 -14.940 -13.576 535 HB3 ARG 114 HB3 ARG 114 4.067 -16.669 -13.731 536 HG2 ARG 114 HG2 ARG 114 4.961 -14.579 -15.750 537 HG3 ARG 114 HG3 ARG 114 5.976 -15.364 -14.541 538 HD2 ARG 114 HD2 ARG 114 5.357 -17.598 -15.622 539 HD3 ARG 114 HD3 ARG 114 4.611 -16.678 -16.923 540 HE ARG 114 HE ARG 114 6.701 -15.888 -17.649 541 HH11 ARG 114 HH11 ARG 114 7.186 -17.983 -14.871 542 HH12 ARG 114 HH12 ARG 114 8.862 -18.255 -15.260 543 HH21 ARG 114 HH21 ARG 114 8.832 -16.316 -18.100 544 HH22 ARG 114 HH22 ARG 114 9.761 -17.332 -17.038 Start of MODEL 8 1 H1 MET 1 H1 MET 1 16.872 22.864 -13.905 2 H2 MET 1 H2 MET 1 17.234 24.102 -12.901 3 H3 MET 1 H3 MET 1 18.395 23.028 -13.329 4 HA MET 1 HA MET 1 17.037 24.905 -15.164 5 HB2 MET 1 HB2 MET 1 18.618 26.024 -13.595 6 HB3 MET 1 HB3 MET 1 19.925 24.985 -14.165 7 HG2 MET 1 HG2 MET 1 19.665 25.928 -16.448 8 HG3 MET 1 HG3 MET 1 18.361 26.968 -15.876 9 HE1 MET 1 HE1 MET 1 19.339 28.208 -13.116 10 HE2 MET 1 HE2 MET 1 20.194 29.638 -13.723 11 HE3 MET 1 HE3 MET 1 18.669 29.135 -14.481 12 H ARG 2 H ARG 2 17.355 24.624 -17.306 13 HA ARG 2 HA ARG 2 17.711 23.677 -19.287 14 HB2 ARG 2 HB2 ARG 2 20.067 24.272 -18.707 15 HB3 ARG 2 HB3 ARG 2 20.338 22.601 -18.207 16 HG2 ARG 2 HG2 ARG 2 19.884 21.814 -20.497 17 HG3 ARG 2 HG3 ARG 2 19.489 23.474 -21.005 18 HD2 ARG 2 HD2 ARG 2 21.796 24.180 -20.442 19 HD3 ARG 2 HD3 ARG 2 22.177 22.520 -19.931 20 HE ARG 2 HE ARG 2 21.172 22.446 -22.601 21 HH11 ARG 2 HH11 ARG 2 24.070 23.537 -20.953 22 HH12 ARG 2 HH12 ARG 2 25.068 23.321 -22.367 23 HH21 ARG 2 HH21 ARG 2 22.500 22.190 -24.365 24 HH22 ARG 2 HH22 ARG 2 24.192 22.576 -24.249 25 H GLY 3 H GLY 3 17.406 21.878 -20.570 26 HA2 GLY 3 HA2 GLY 3 17.585 19.163 -19.836 27 HA3 GLY 3 HA3 GLY 3 15.951 19.693 -19.429 28 H SER 4 H SER 4 16.232 17.714 -21.231 29 HA SER 4 HA SER 4 15.013 18.858 -23.646 30 HB2 SER 4 HB2 SER 4 17.460 18.795 -24.167 31 HB3 SER 4 HB3 SER 4 17.451 17.046 -23.869 32 HG SER 4 HG SER 4 17.179 17.602 -26.116 33 H HIS 5 H HIS 5 13.681 17.408 -24.725 34 HA HIS 5 HA HIS 5 13.454 14.603 -23.756 35 HB2 HIS 5 HB2 HIS 5 11.150 16.584 -23.911 36 HB3 HIS 5 HB3 HIS 5 10.966 14.839 -23.772 37 HD2 HIS 5 HD2 HIS 5 11.615 17.929 -21.686 38 HE1 HIS 5 HE1 HIS 5 11.913 14.632 -18.992 39 HE2 HIS 5 HE2 HIS 5 11.780 17.170 -19.164 40 H HIS 6 H HIS 6 13.275 13.206 -25.366 41 HA HIS 6 HA HIS 6 11.762 13.804 -27.810 42 HB2 HIS 6 HB2 HIS 6 14.020 14.643 -28.373 43 HB3 HIS 6 HB3 HIS 6 14.722 13.091 -27.927 44 HD2 HIS 6 HD2 HIS 6 15.700 12.936 -30.455 45 HE1 HIS 6 HE1 HIS 6 11.975 12.203 -32.399 46 HE2 HIS 6 HE2 HIS 6 14.505 12.209 -32.686 47 H HIS 7 H HIS 7 10.531 12.061 -28.146 48 HA HIS 7 HA HIS 7 11.695 9.385 -28.099 49 HB2 HIS 7 HB2 HIS 7 10.846 9.712 -25.744 50 HB3 HIS 7 HB3 HIS 7 9.217 9.887 -26.403 51 HD2 HIS 7 HD2 HIS 7 8.035 7.671 -27.328 52 HE1 HIS 7 HE1 HIS 7 11.136 4.876 -26.475 53 HE2 HIS 7 HE2 HIS 7 8.752 5.139 -27.341 54 H HIS 8 H HIS 8 10.974 8.281 -29.794 55 HA HIS 8 HA HIS 8 9.222 9.514 -31.710 56 HB2 HIS 8 HB2 HIS 8 10.496 6.747 -31.646 57 HB3 HIS 8 HB3 HIS 8 9.777 7.506 -33.061 58 HD2 HIS 8 HD2 HIS 8 11.224 9.218 -34.437 59 HE1 HIS 8 HE1 HIS 8 14.771 9.062 -32.069 60 HE2 HIS 8 HE2 HIS 8 13.771 9.873 -34.269 61 H HIS 9 H HIS 9 7.477 8.354 -32.879 62 HA HIS 9 HA HIS 9 6.186 6.122 -31.518 63 HB2 HIS 9 HB2 HIS 9 3.911 7.148 -31.602 64 HB3 HIS 9 HB3 HIS 9 4.989 7.872 -30.423 65 HD2 HIS 9 HD2 HIS 9 3.411 8.657 -33.877 66 HE1 HIS 9 HE1 HIS 9 4.565 12.374 -32.138 67 HE2 HIS 9 HE2 HIS 9 3.364 11.282 -34.094 68 H HIS 10 H HIS 10 4.958 4.808 -32.818 69 HA HIS 10 HA HIS 10 4.559 5.374 -35.675 70 HB2 HIS 10 HB2 HIS 10 6.911 4.603 -35.572 71 HB3 HIS 10 HB3 HIS 10 6.409 3.161 -34.690 72 HD2 HIS 10 HD2 HIS 10 6.444 1.119 -36.259 73 HE1 HIS 10 HE1 HIS 10 5.000 2.891 -39.862 74 HE2 HIS 10 HE2 HIS 10 5.774 0.721 -38.778 75 H GLY 11 H GLY 11 3.147 3.833 -36.679 76 HA2 GLY 11 HA2 GLY 11 1.319 2.409 -36.755 77 HA3 GLY 11 HA3 GLY 11 1.887 1.645 -35.272 78 H SER 12 H SER 12 -0.565 1.578 -35.032 79 HA SER 12 HA SER 12 -1.389 3.655 -33.137 80 HB2 SER 12 HB2 SER 12 -2.044 4.644 -35.323 81 HB3 SER 12 HB3 SER 12 -3.006 3.198 -35.676 82 HG SER 12 HG SER 12 -4.272 4.917 -34.777 83 H GLY 58 H GLY 58 -2.609 2.801 -31.572 84 HA2 GLY 58 HA2 GLY 58 -4.291 1.679 -30.523 85 HA3 GLY 58 HA3 GLY 58 -4.916 1.253 -32.106 86 H ALA 59 H ALA 59 -4.886 -0.809 -32.690 87 HA ALA 59 HA ALA 59 -5.141 -2.995 -32.412 88 HB1 ALA 59 HB1 ALA 59 -2.514 -3.061 -30.894 89 HB2 ALA 59 HB2 ALA 59 -3.359 -4.428 -31.640 90 HB3 ALA 59 HB3 ALA 59 -2.698 -3.137 -32.661 91 H LEU 60 H LEU 60 -5.937 -4.641 -31.006 92 HA LEU 60 HA LEU 60 -7.213 -3.417 -28.634 93 HB2 LEU 60 HB2 LEU 60 -8.608 -4.288 -30.456 94 HB3 LEU 60 HB3 LEU 60 -7.872 -5.880 -30.282 95 HG LEU 60 HG LEU 60 -8.846 -6.075 -27.987 96 HD11 LEU 60 HD11 LEU 60 -10.259 -3.465 -28.705 97 HD12 LEU 60 HD12 LEU 60 -10.658 -4.510 -27.325 98 HD13 LEU 60 HD13 LEU 60 -9.099 -3.691 -27.376 99 HD21 LEU 60 HD21 LEU 60 -10.019 -6.987 -29.953 100 HD22 LEU 60 HD22 LEU 60 -11.162 -6.415 -28.727 101 HD23 LEU 60 HD23 LEU 60 -10.858 -5.437 -30.181 102 H ALA 61 H ALA 61 -6.877 -4.044 -26.585 103 HA ALA 61 HA ALA 61 -5.458 -6.610 -25.989 104 HB1 ALA 61 HB1 ALA 61 -5.959 -4.150 -24.258 105 HB2 ALA 61 HB2 ALA 61 -5.161 -5.642 -23.729 106 HB3 ALA 61 HB3 ALA 61 -4.410 -4.638 -24.982 107 H ALA 62 H ALA 62 -6.654 -8.287 -25.244 108 HA ALA 62 HA ALA 62 -9.490 -7.906 -24.515 109 HB1 ALA 62 HB1 ALA 62 -7.778 -10.416 -24.644 110 HB2 ALA 62 HB2 ALA 62 -9.530 -10.352 -24.379 111 HB3 ALA 62 HB3 ALA 62 -8.849 -9.813 -25.927 112 H LEU 63 H LEU 63 -10.330 -8.126 -22.479 113 HA LEU 63 HA LEU 63 -8.421 -8.292 -20.182 114 HB2 LEU 63 HB2 LEU 63 -10.965 -6.652 -20.252 115 HB3 LEU 63 HB3 LEU 63 -9.731 -6.664 -19.002 116 HG LEU 63 HG LEU 63 -9.458 -5.504 -21.810 117 HD11 LEU 63 HD11 LEU 63 -9.565 -4.167 -19.077 118 HD12 LEU 63 HD12 LEU 63 -9.390 -3.353 -20.647 119 HD13 LEU 63 HD13 LEU 63 -10.888 -4.212 -20.266 120 HD21 LEU 63 HD21 LEU 63 -7.254 -6.272 -21.118 121 HD22 LEU 63 HD22 LEU 63 -7.333 -4.522 -21.012 122 HD23 LEU 63 HD23 LEU 63 -7.445 -5.494 -19.523 123 H HIS 64 H HIS 64 -9.190 -9.264 -18.263 124 HA HIS 64 HA HIS 64 -11.241 -11.352 -18.508 125 HB2 HIS 64 HB2 HIS 64 -9.712 -10.196 -16.173 126 HB3 HIS 64 HB3 HIS 64 -10.888 -11.491 -15.993 127 HD2 HIS 64 HD2 HIS 64 -7.274 -10.953 -16.485 128 HE1 HIS 64 HE1 HIS 64 -7.935 -15.026 -17.565 129 HE2 HIS 64 HE2 HIS 64 -6.159 -13.290 -16.995 130 H ALA 65 H ALA 65 -13.389 -11.235 -17.922 131 HA ALA 65 HA ALA 65 -14.480 -8.550 -17.391 132 HB1 ALA 65 HB1 ALA 65 -15.835 -11.196 -18.045 133 HB2 ALA 65 HB2 ALA 65 -16.594 -9.591 -18.044 134 HB3 ALA 65 HB3 ALA 65 -15.326 -9.962 -19.228 135 H ASP 66 H ASP 66 -13.934 -11.446 -15.504 136 HA ASP 66 HA ASP 66 -15.527 -10.423 -13.226 137 HB2 ASP 66 HB2 ASP 66 -17.042 -11.709 -14.765 138 HB3 ASP 66 HB3 ASP 66 -16.001 -13.117 -14.565 139 H GLY 67 H GLY 67 -15.350 -11.927 -11.308 140 HA2 GLY 67 HA2 GLY 67 -14.237 -13.285 -9.816 141 HA3 GLY 67 HA3 GLY 67 -13.378 -13.972 -11.180 142 HA PRO 68 HA PRO 68 -10.256 -12.131 -8.350 143 HB2 PRO 68 HB2 PRO 68 -8.011 -13.387 -9.441 144 HB3 PRO 68 HB3 PRO 68 -9.129 -14.128 -8.249 145 HG2 PRO 68 HG2 PRO 68 -9.108 -14.411 -11.264 146 HG3 PRO 68 HG3 PRO 68 -9.270 -15.699 -10.027 147 HD2 PRO 68 HD2 PRO 68 -11.423 -14.702 -11.292 148 HD3 PRO 68 HD3 PRO 68 -11.507 -15.073 -9.542 149 H HIS 69 H HIS 69 -10.067 -12.133 -11.861 150 HA HIS 69 HA HIS 69 -8.002 -9.973 -11.884 151 HB2 HIS 69 HB2 HIS 69 -8.609 -12.229 -13.791 152 HB3 HIS 69 HB3 HIS 69 -7.448 -10.953 -14.103 153 HD2 HIS 69 HD2 HIS 69 -6.378 -13.736 -14.135 154 HE1 HIS 69 HE1 HIS 69 -4.609 -12.993 -10.341 155 HE2 HIS 69 HE2 HIS 69 -4.589 -14.537 -12.362 156 H ALA 70 H ALA 70 -11.151 -9.703 -11.957 157 HA ALA 70 HA ALA 70 -11.965 -8.834 -14.466 158 HB1 ALA 70 HB1 ALA 70 -12.764 -7.694 -11.760 159 HB2 ALA 70 HB2 ALA 70 -13.684 -7.549 -13.274 160 HB3 ALA 70 HB3 ALA 70 -13.448 -9.142 -12.529 161 H GLY 71 H GLY 71 -11.390 -7.279 -15.813 162 HA2 GLY 71 HA2 GLY 71 -10.813 -5.155 -16.588 163 HA3 GLY 71 HA3 GLY 71 -10.415 -4.632 -14.956 164 H LEU 72 H LEU 72 -8.683 -7.445 -15.142 165 HA LEU 72 HA LEU 72 -6.201 -6.096 -15.953 166 HB2 LEU 72 HB2 LEU 72 -6.631 -9.001 -15.183 167 HB3 LEU 72 HB3 LEU 72 -5.099 -8.164 -15.328 168 HG LEU 72 HG LEU 72 -7.171 -7.679 -13.165 169 HD11 LEU 72 HD11 LEU 72 -4.341 -8.770 -12.960 170 HD12 LEU 72 HD12 LEU 72 -5.603 -8.769 -11.718 171 HD13 LEU 72 HD13 LEU 72 -5.737 -9.828 -13.136 172 HD21 LEU 72 HD21 LEU 72 -6.016 -5.572 -13.658 173 HD22 LEU 72 HD22 LEU 72 -5.431 -6.247 -12.133 174 HD23 LEU 72 HD23 LEU 72 -4.439 -6.396 -13.599 175 HA PRO 73 HA PRO 73 -6.078 -7.788 -20.158 176 HB2 PRO 73 HB2 PRO 73 -3.369 -8.255 -20.449 177 HB3 PRO 73 HB3 PRO 73 -4.130 -6.646 -20.604 178 HG2 PRO 73 HG2 PRO 73 -2.739 -7.876 -18.208 179 HG3 PRO 73 HG3 PRO 73 -2.570 -6.207 -18.844 180 HD2 PRO 73 HD2 PRO 73 -4.130 -6.742 -16.718 181 HD3 PRO 73 HD3 PRO 73 -4.623 -5.532 -17.926 182 H VAL 74 H VAL 74 -6.081 -9.841 -21.157 183 HA VAL 74 HA VAL 74 -5.972 -12.066 -19.273 184 HB VAL 74 HB VAL 74 -6.578 -12.219 -22.238 185 HG11 VAL 74 HG11 VAL 74 -7.106 -14.106 -19.909 186 HG12 VAL 74 HG12 VAL 74 -7.734 -14.317 -21.559 187 HG13 VAL 74 HG13 VAL 74 -5.995 -14.402 -21.266 188 HG21 VAL 74 HG21 VAL 74 -8.196 -10.739 -21.108 189 HG22 VAL 74 HG22 VAL 74 -8.949 -12.278 -21.516 190 HG23 VAL 74 HG23 VAL 74 -8.447 -11.955 -19.842 191 H THR 75 H THR 75 -4.112 -11.396 -22.337 192 HA THR 75 HA THR 75 -2.087 -13.368 -21.421 193 HB THR 75 HB THR 75 -1.437 -13.564 -23.666 194 HG1 THR 75 HG1 THR 75 -2.633 -12.249 -25.271 195 HG21 THR 75 HG21 THR 75 -4.465 -13.402 -23.793 196 HG22 THR 75 HG22 THR 75 -3.384 -14.370 -24.815 197 HG23 THR 75 HG23 THR 75 -3.551 -14.759 -23.096 198 H ARG 76 H ARG 76 0.180 -12.964 -22.064 199 HA ARG 76 HA ARG 76 1.363 -10.526 -21.155 200 HB2 ARG 76 HB2 ARG 76 2.488 -12.702 -21.305 201 HB3 ARG 76 HB3 ARG 76 2.327 -12.702 -23.063 202 HG2 ARG 76 HG2 ARG 76 3.917 -10.849 -23.260 203 HG3 ARG 76 HG3 ARG 76 3.967 -10.662 -21.498 204 HD2 ARG 76 HD2 ARG 76 5.943 -11.915 -22.294 205 HD3 ARG 76 HD3 ARG 76 4.941 -12.874 -21.230 206 HE ARG 76 HE ARG 76 4.484 -14.356 -22.932 207 HH11 ARG 76 HH11 ARG 76 6.112 -11.618 -24.449 208 HH12 ARG 76 HH12 ARG 76 6.030 -12.365 -26.023 209 HH21 ARG 76 HH21 ARG 76 4.505 -15.249 -24.952 210 HH22 ARG 76 HH22 ARG 76 5.199 -14.380 -26.285 211 H SER 77 H SER 77 0.394 -11.502 -24.451 212 HA SER 77 HA SER 77 1.275 -9.105 -25.766 213 HB2 SER 77 HB2 SER 77 -0.962 -11.006 -26.561 214 HB3 SER 77 HB3 SER 77 -0.150 -9.824 -27.606 215 HG SER 77 HG SER 77 0.749 -11.946 -27.831 216 H ASP 78 H ASP 78 -1.935 -9.982 -24.300 217 HA ASP 78 HA ASP 78 -3.217 -7.506 -24.960 218 HB2 ASP 78 HB2 ASP 78 -3.625 -9.305 -22.541 219 HB3 ASP 78 HB3 ASP 78 -4.668 -7.967 -22.995 220 H ALA 79 H ALA 79 -1.251 -8.393 -22.075 221 HA ALA 79 HA ALA 79 -1.444 -5.891 -20.724 222 HB1 ALA 79 HB1 ALA 79 0.774 -7.933 -20.710 223 HB2 ALA 79 HB2 ALA 79 0.450 -6.688 -19.465 224 HB3 ALA 79 HB3 ALA 79 -0.700 -8.012 -19.734 225 H ARG 80 H ARG 80 1.013 -6.985 -23.091 226 HA ARG 80 HA ARG 80 2.507 -4.546 -23.248 227 HB2 ARG 80 HB2 ARG 80 3.114 -6.839 -24.117 228 HB3 ARG 80 HB3 ARG 80 1.958 -6.613 -25.432 229 HG2 ARG 80 HG2 ARG 80 3.284 -4.660 -26.240 230 HG3 ARG 80 HG3 ARG 80 4.427 -4.907 -24.897 231 HD2 ARG 80 HD2 ARG 80 4.914 -7.191 -25.740 232 HD3 ARG 80 HD3 ARG 80 3.774 -6.929 -27.079 233 HE ARG 80 HE ARG 80 5.816 -4.875 -26.991 234 HH11 ARG 80 HH11 ARG 80 5.396 -8.204 -28.015 235 HH12 ARG 80 HH12 ARG 80 6.648 -8.088 -29.219 236 HH21 ARG 80 HH21 ARG 80 7.404 -4.796 -28.574 237 HH22 ARG 80 HH22 ARG 80 7.752 -6.214 -29.511 238 H VAL 81 H VAL 81 -0.458 -5.522 -25.024 239 HA VAL 81 HA VAL 81 -0.439 -3.097 -26.655 240 HB VAL 81 HB VAL 81 -2.481 -5.309 -26.289 241 HG11 VAL 81 HG11 VAL 81 -2.539 -2.923 -28.194 242 HG12 VAL 81 HG12 VAL 81 -3.553 -4.367 -28.348 243 HG13 VAL 81 HG13 VAL 81 -3.747 -3.316 -26.944 244 HG21 VAL 81 HG21 VAL 81 -0.349 -5.867 -27.526 245 HG22 VAL 81 HG22 VAL 81 -1.779 -5.931 -28.559 246 HG23 VAL 81 HG23 VAL 81 -0.682 -4.534 -28.642 247 H LEU 82 H LEU 82 -2.052 -4.037 -23.583 248 HA LEU 82 HA LEU 82 -3.561 -1.689 -23.299 249 HB2 LEU 82 HB2 LEU 82 -2.894 -3.986 -21.711 250 HB3 LEU 82 HB3 LEU 82 -2.402 -2.609 -20.751 251 HG LEU 82 HG LEU 82 -5.136 -3.083 -21.975 252 HD11 LEU 82 HD11 LEU 82 -4.130 -3.146 -19.089 253 HD12 LEU 82 HD12 LEU 82 -5.836 -3.270 -19.566 254 HD13 LEU 82 HD13 LEU 82 -4.693 -4.528 -20.059 255 HD21 LEU 82 HD21 LEU 82 -4.719 -0.666 -21.858 256 HD22 LEU 82 HD22 LEU 82 -5.840 -1.115 -20.571 257 HD23 LEU 82 HD23 LEU 82 -4.123 -0.821 -20.195 258 H ILE 83 H ILE 83 -0.187 -2.350 -22.199 259 HA ILE 83 HA ILE 83 0.381 0.270 -21.217 260 HB ILE 83 HB ILE 83 2.174 -1.857 -22.446 261 HG12 ILE 83 HG12 ILE 83 1.896 -0.860 -19.571 262 HG13 ILE 83 HG13 ILE 83 1.023 -2.247 -20.214 263 HG21 ILE 83 HG21 ILE 83 2.947 0.879 -21.337 264 HG22 ILE 83 HG22 ILE 83 4.089 -0.462 -21.427 265 HG23 ILE 83 HG23 ILE 83 3.389 0.165 -22.910 266 HD11 ILE 83 HD11 ILE 83 4.028 -2.024 -19.842 267 HD12 ILE 83 HD12 ILE 83 2.895 -3.137 -19.063 268 HD13 ILE 83 HD13 ILE 83 3.240 -3.305 -20.794 269 H PHE 84 H PHE 84 0.745 -1.044 -24.546 270 HA PHE 84 HA PHE 84 1.766 1.304 -25.697 271 HB2 PHE 84 HB2 PHE 84 1.694 -1.007 -26.672 272 HB3 PHE 84 HB3 PHE 84 -0.015 -0.773 -27.020 273 HD1 PHE 84 HD2 PHE 84 3.363 0.738 -27.584 274 HD2 PHE 84 HD1 PHE 84 -0.683 0.352 -29.008 275 HE1 PHE 84 HE2 PHE 84 4.019 1.859 -29.679 276 HE2 PHE 84 HE1 PHE 84 -0.030 1.481 -31.137 277 HZ PHE 84 HZ PHE 84 2.320 2.218 -31.484 278 H ASN 85 H ASN 85 -1.715 0.298 -25.696 279 HA ASN 85 HA ASN 85 -2.715 2.679 -26.899 280 HB2 ASN 85 HB2 ASN 85 -3.961 0.598 -25.056 281 HB3 ASN 85 HB3 ASN 85 -4.862 2.016 -25.581 282 HD21 ASN 85 HD22 ASN 85 -3.259 -0.928 -26.780 283 HD22 ASN 85 HD21 ASN 85 -4.145 -0.914 -28.311 284 H ASP 86 H ASP 86 -2.267 1.974 -23.370 285 HA ASP 86 HA ASP 86 -3.278 4.506 -22.481 286 HB2 ASP 86 HB2 ASP 86 -2.974 2.632 -20.947 287 HB3 ASP 86 HB3 ASP 86 -1.226 2.668 -21.200 288 H TRP 87 H TRP 87 0.153 3.477 -23.136 289 HA TRP 87 HA TRP 87 1.365 5.988 -22.707 290 HB2 TRP 87 HB2 TRP 87 2.784 4.118 -22.971 291 HB3 TRP 87 HB3 TRP 87 2.030 3.645 -24.484 292 HD1 TRP 87 HD1 TRP 87 4.399 6.409 -23.172 293 HE1 TRP 87 HE1 TRP 87 5.929 7.114 -25.132 294 HE3 TRP 87 HE3 TRP 87 2.041 3.961 -27.018 295 HZ2 TRP 87 HZ2 TRP 87 6.184 6.542 -27.944 296 HZ3 TRP 87 HZ3 TRP 87 2.889 4.157 -29.327 297 HH2 TRP 87 HH2 TRP 87 4.999 5.364 -29.793 298 H GLU 88 H GLU 88 -0.114 4.777 -25.812 299 HA GLU 88 HA GLU 88 0.493 7.136 -27.310 300 HB2 GLU 88 HB2 GLU 88 -1.734 5.064 -27.510 301 HB3 GLU 88 HB3 GLU 88 -1.752 6.529 -28.481 302 HG2 GLU 88 HG2 GLU 88 0.661 5.861 -29.206 303 HG3 GLU 88 HG3 GLU 88 0.201 4.248 -28.644 304 H GLU 89 H GLU 89 -2.461 6.450 -25.264 305 HA GLU 89 HA GLU 89 -3.688 8.961 -25.811 306 HB2 GLU 89 HB2 GLU 89 -4.546 6.772 -24.694 307 HB3 GLU 89 HB3 GLU 89 -3.936 7.451 -23.192 308 HG2 GLU 89 HG2 GLU 89 -5.938 8.776 -25.075 309 HG3 GLU 89 HG3 GLU 89 -6.363 7.784 -23.689 310 H ARG 90 H ARG 90 -1.514 7.998 -23.116 311 HA ARG 90 HA ARG 90 -1.366 10.590 -21.874 312 HB2 ARG 90 HB2 ARG 90 0.799 8.465 -21.877 313 HB3 ARG 90 HB3 ARG 90 0.592 9.771 -20.710 314 HG2 ARG 90 HG2 ARG 90 -1.327 7.453 -21.026 315 HG3 ARG 90 HG3 ARG 90 0.005 7.490 -19.888 316 HD2 ARG 90 HD2 ARG 90 -1.067 9.232 -18.612 317 HD3 ARG 90 HD3 ARG 90 -2.308 9.468 -19.878 318 HE ARG 90 HE ARG 90 -2.413 6.749 -19.283 319 HH11 ARG 90 HH11 ARG 90 -3.018 9.572 -17.268 320 HH12 ARG 90 HH12 ARG 90 -4.164 8.690 -16.296 321 HH21 ARG 90 HH21 ARG 90 -3.783 5.785 -18.175 322 HH22 ARG 90 HH22 ARG 90 -4.613 6.509 -16.792 323 H LYS 91 H LYS 91 0.478 9.204 -24.602 324 HA LYS 91 HA LYS 91 2.348 11.411 -24.729 325 HB2 LYS 91 HB2 LYS 91 2.709 9.042 -25.605 326 HB3 LYS 91 HB3 LYS 91 1.702 9.491 -26.992 327 HG2 LYS 91 HG2 LYS 91 3.325 11.345 -27.490 328 HG3 LYS 91 HG3 LYS 91 4.275 10.865 -26.067 329 HD2 LYS 91 HD2 LYS 91 4.343 8.515 -27.180 330 HD3 LYS 91 HD3 LYS 91 3.850 9.332 -28.656 331 HE2 LYS 91 HE2 LYS 91 6.355 9.896 -26.977 332 HE3 LYS 91 HE3 LYS 91 6.303 8.965 -28.479 333 HZ1 LYS 91 HZ1 LYS 91 5.793 11.884 -28.227 334 HZ2 LYS 91 HZ2 LYS 91 7.046 11.140 -28.987 335 HZ3 LYS 91 HZ3 LYS 91 5.551 11.010 -29.631 336 H ARG 92 H ARG 92 -0.732 10.704 -26.318 337 HA ARG 92 HA ARG 92 -0.718 13.035 -28.044 338 HB2 ARG 92 HB2 ARG 92 -2.896 11.152 -27.081 339 HB3 ARG 92 HB3 ARG 92 -3.207 12.484 -28.204 340 HG2 ARG 92 HG2 ARG 92 -1.768 11.573 -29.892 341 HG3 ARG 92 HG3 ARG 92 -1.058 10.403 -28.786 342 HD2 ARG 92 HD2 ARG 92 -3.291 9.293 -28.553 343 HD3 ARG 92 HD3 ARG 92 -3.930 10.372 -29.793 344 HE ARG 92 HE ARG 92 -2.076 8.087 -30.127 345 HH11 ARG 92 HH11 ARG 92 -3.399 10.874 -31.821 346 HH12 ARG 92 HH12 ARG 92 -3.003 10.207 -33.376 347 HH21 ARG 92 HH21 ARG 92 -1.626 7.292 -32.066 348 HH22 ARG 92 HH22 ARG 92 -2.012 8.212 -33.512 349 H SER 93 H SER 93 -1.720 12.596 -24.636 350 HA SER 93 HA SER 93 -2.485 15.448 -24.523 351 HB2 SER 93 HB2 SER 93 -2.888 15.103 -22.178 352 HB3 SER 93 HB3 SER 93 -3.723 13.900 -23.172 353 HG SER 93 HG SER 93 -2.689 12.975 -21.327 354 H GLU 94 H GLU 94 0.384 13.554 -23.523 355 HA GLU 94 HA GLU 94 1.887 16.088 -22.978 356 HB2 GLU 94 HB2 GLU 94 1.932 13.486 -21.424 357 HB3 GLU 94 HB3 GLU 94 3.036 14.838 -21.210 358 HG2 GLU 94 HG2 GLU 94 1.085 16.322 -20.715 359 HG3 GLU 94 HG3 GLU 94 0.020 14.916 -20.777 360 HA PRO 95 HA PRO 95 3.611 14.038 -26.520 361 HB2 PRO 95 HB2 PRO 95 5.434 15.910 -27.425 362 HB3 PRO 95 HB3 PRO 95 3.659 16.047 -27.578 363 HG2 PRO 95 HG2 PRO 95 5.433 17.230 -25.415 364 HG3 PRO 95 HG3 PRO 95 4.176 18.059 -26.393 365 HD2 PRO 95 HD2 PRO 95 3.609 17.157 -23.920 366 HD3 PRO 95 HD3 PRO 95 2.418 16.930 -25.240 367 H TRP 96 H TRP 96 5.739 14.760 -23.895 368 HA TRP 96 HA TRP 96 8.201 13.706 -24.994 369 HB2 TRP 96 HB2 TRP 96 8.964 14.063 -22.637 370 HB3 TRP 96 HB3 TRP 96 8.258 15.469 -23.408 371 HD1 TRP 96 HD1 TRP 96 7.167 12.669 -20.977 372 HE1 TRP 96 HE1 TRP 96 5.476 13.635 -19.286 373 HE3 TRP 96 HE3 TRP 96 6.690 17.391 -22.911 374 HZ2 TRP 96 HZ2 TRP 96 4.066 16.123 -18.871 375 HZ3 TRP 96 HZ3 TRP 96 5.120 19.018 -21.879 376 HH2 TRP 96 HH2 TRP 96 3.813 18.398 -19.860 377 H LEU 97 H LEU 97 5.517 11.971 -23.987 378 HA LEU 97 HA LEU 97 6.397 10.313 -22.029 379 HB2 LEU 97 HB2 LEU 97 4.073 10.616 -23.390 380 HB3 LEU 97 HB3 LEU 97 4.569 9.108 -24.088 381 HG LEU 97 HG LEU 97 3.296 8.314 -22.391 382 HD11 LEU 97 HD11 LEU 97 5.716 8.817 -20.595 383 HD12 LEU 97 HD12 LEU 97 4.469 7.573 -20.423 384 HD13 LEU 97 HD13 LEU 97 5.603 7.485 -21.765 385 HD21 LEU 97 HD21 LEU 97 2.650 10.521 -21.586 386 HD22 LEU 97 HD22 LEU 97 2.921 9.366 -20.262 387 HD23 LEU 97 HD23 LEU 97 4.137 10.622 -20.620 388 H ARG 98 H ARG 98 7.966 8.839 -21.813 389 HA ARG 98 HA ARG 98 9.101 7.357 -24.085 390 HB2 ARG 98 HB2 ARG 98 10.649 8.288 -22.496 391 HB3 ARG 98 HB3 ARG 98 9.787 7.565 -21.132 392 HG2 ARG 98 HG2 ARG 98 10.438 5.311 -21.855 393 HG3 ARG 98 HG3 ARG 98 11.282 5.978 -23.268 394 HD2 ARG 98 HD2 ARG 98 12.940 7.013 -21.888 395 HD3 ARG 98 HD3 ARG 98 11.971 6.780 -20.415 396 HE ARG 98 HE ARG 98 12.302 4.200 -21.321 397 HH11 ARG 98 HH11 ARG 98 14.677 6.641 -20.415 398 HH12 ARG 98 HH12 ARG 98 15.811 5.419 -19.907 399 HH21 ARG 98 HH21 ARG 98 13.637 2.822 -20.707 400 HH22 ARG 98 HH22 ARG 98 15.238 3.223 -20.076 401 H LEU 99 H LEU 99 8.958 5.262 -24.524 402 HA LEU 99 HA LEU 99 6.968 3.612 -23.023 403 HB2 LEU 99 HB2 LEU 99 6.338 4.285 -25.245 404 HB3 LEU 99 HB3 LEU 99 7.791 3.634 -25.944 405 HG LEU 99 HG LEU 99 5.632 2.394 -26.317 406 HD11 LEU 99 HD11 LEU 99 7.764 0.678 -24.989 407 HD12 LEU 99 HD12 LEU 99 6.654 0.248 -26.292 408 HD13 LEU 99 HD13 LEU 99 7.936 1.403 -26.603 409 HD21 LEU 99 HD21 LEU 99 4.722 2.583 -24.035 410 HD22 LEU 99 HD22 LEU 99 4.691 0.964 -24.736 411 HD23 LEU 99 HD23 LEU 99 5.902 1.359 -23.492 412 H ASP 100 H ASP 100 7.697 1.911 -21.951 413 HA ASP 100 HA ASP 100 9.723 0.140 -23.174 414 HB2 ASP 100 HB2 ASP 100 9.831 1.177 -20.318 415 HB3 ASP 100 HB3 ASP 100 10.492 -0.388 -20.763 416 H MET 101 H MET 101 8.783 -1.799 -23.432 417 HA MET 101 HA MET 101 6.940 -2.885 -21.405 418 HB2 MET 101 HB2 MET 101 5.069 -3.206 -22.918 419 HB3 MET 101 HB3 MET 101 5.473 -1.508 -22.729 420 HG2 MET 101 HG2 MET 101 6.592 -1.478 -24.905 421 HG3 MET 101 HG3 MET 101 6.212 -3.186 -25.128 422 HE1 MET 101 HE1 MET 101 5.359 -2.488 -27.443 423 HE2 MET 101 HE2 MET 101 3.763 -1.769 -27.742 424 HE3 MET 101 HE3 MET 101 5.135 -0.724 -27.350 425 H SER 102 H SER 102 9.480 -3.747 -22.035 426 HA SER 102 HA SER 102 9.461 -6.138 -23.683 427 HB2 SER 102 HB2 SER 102 11.516 -4.918 -23.028 428 HB3 SER 102 HB3 SER 102 11.256 -5.399 -21.338 429 HG SER 102 HG SER 102 12.713 -6.792 -22.569 430 H ASP 103 H ASP 103 9.678 -8.363 -22.779 431 HA ASP 103 HA ASP 103 7.283 -9.038 -21.448 432 HB2 ASP 103 HB2 ASP 103 9.784 -10.719 -21.825 433 HB3 ASP 103 HB3 ASP 103 8.181 -11.340 -21.426 434 H LYS 104 H LYS 104 10.531 -8.661 -20.045 435 HA LYS 104 HA LYS 104 9.793 -9.572 -17.368 436 HB2 LYS 104 HB2 LYS 104 12.131 -8.067 -18.558 437 HB3 LYS 104 HB3 LYS 104 11.830 -7.904 -16.837 438 HG2 LYS 104 HG2 LYS 104 13.383 -9.680 -17.087 439 HG3 LYS 104 HG3 LYS 104 11.855 -10.334 -16.522 440 HD2 LYS 104 HD2 LYS 104 12.756 -11.864 -18.097 441 HD3 LYS 104 HD3 LYS 104 11.366 -11.110 -18.881 442 HE2 LYS 104 HE2 LYS 104 12.889 -9.608 -20.152 443 HE3 LYS 104 HE3 LYS 104 14.276 -10.233 -19.258 444 HZ1 LYS 104 HZ1 LYS 104 12.585 -11.873 -21.088 445 HZ2 LYS 104 HZ2 LYS 104 14.075 -11.306 -21.433 446 HZ3 LYS 104 HZ3 LYS 104 13.884 -12.418 -20.259 447 H ALA 105 H ALA 105 9.607 -6.382 -18.964 448 HA ALA 105 HA ALA 105 8.684 -5.003 -16.585 449 HB1 ALA 105 HB1 ALA 105 8.284 -4.262 -19.516 450 HB2 ALA 105 HB2 ALA 105 8.107 -3.201 -18.111 451 HB3 ALA 105 HB3 ALA 105 9.705 -3.844 -18.529 452 H ILE 106 H ILE 106 6.990 -6.783 -19.218 453 HA ILE 106 HA ILE 106 4.307 -6.304 -18.262 454 HB ILE 106 HB ILE 106 5.243 -8.877 -19.561 455 HG12 ILE 106 HG12 ILE 106 5.915 -7.168 -21.104 456 HG13 ILE 106 HG13 ILE 106 4.458 -7.921 -21.707 457 HG21 ILE 106 HG21 ILE 106 2.542 -7.508 -19.228 458 HG22 ILE 106 HG22 ILE 106 2.828 -8.873 -20.324 459 HG23 ILE 106 HG23 ILE 106 3.047 -9.085 -18.584 460 HD11 ILE 106 HD11 ILE 106 4.651 -5.197 -20.352 461 HD12 ILE 106 HD12 ILE 106 4.393 -5.519 -22.072 462 HD13 ILE 106 HD13 ILE 106 3.131 -5.950 -20.903 463 H PHE 107 H PHE 107 6.506 -9.086 -17.431 464 HA PHE 107 HA PHE 107 4.685 -10.059 -15.454 465 HB2 PHE 107 HB2 PHE 107 7.676 -10.496 -15.733 466 HB3 PHE 107 HB3 PHE 107 6.611 -11.436 -14.698 467 HD1 PHE 107 HD2 PHE 107 4.269 -12.097 -16.255 468 HD2 PHE 107 HD1 PHE 107 8.388 -11.852 -17.516 469 HE1 PHE 107 HE2 PHE 107 3.817 -13.729 -18.072 470 HE2 PHE 107 HE1 PHE 107 7.932 -13.498 -19.315 471 HZ PHE 107 HZ PHE 107 5.650 -14.450 -19.584 472 H ARG 108 H ARG 108 7.296 -7.658 -15.083 473 HA ARG 108 HA ARG 108 7.082 -7.576 -12.172 474 HB2 ARG 108 HB2 ARG 108 8.329 -5.708 -14.225 475 HB3 ARG 108 HB3 ARG 108 8.383 -5.388 -12.502 476 HG2 ARG 108 HG2 ARG 108 9.499 -7.923 -13.784 477 HG3 ARG 108 HG3 ARG 108 10.453 -6.487 -13.444 478 HD2 ARG 108 HD2 ARG 108 9.000 -8.163 -11.354 479 HD3 ARG 108 HD3 ARG 108 10.715 -8.283 -11.763 480 HE ARG 108 HE ARG 108 10.272 -5.583 -11.123 481 HH11 ARG 108 HH11 ARG 108 10.183 -8.634 -9.399 482 HH12 ARG 108 HH12 ARG 108 10.580 -7.890 -7.875 483 HH21 ARG 108 HH21 ARG 108 10.758 -4.695 -9.141 484 HH22 ARG 108 HH22 ARG 108 10.902 -5.716 -7.742 485 H ARG 109 H ARG 109 5.543 -5.638 -14.751 486 HA ARG 109 HA ARG 109 4.151 -3.922 -12.819 487 HB2 ARG 109 HB2 ARG 109 4.871 -3.239 -15.124 488 HB3 ARG 109 HB3 ARG 109 3.623 -4.295 -15.800 489 HG2 ARG 109 HG2 ARG 109 1.864 -2.997 -14.661 490 HG3 ARG 109 HG3 ARG 109 3.078 -1.997 -13.852 491 HD2 ARG 109 HD2 ARG 109 2.625 -2.136 -16.863 492 HD3 ARG 109 HD3 ARG 109 2.001 -0.883 -15.774 493 HE ARG 109 HE ARG 109 4.883 -1.167 -15.549 494 HH11 ARG 109 HH11 ARG 109 2.429 0.463 -17.446 495 HH12 ARG 109 HH12 ARG 109 3.549 1.661 -18.029 496 HH21 ARG 109 HH21 ARG 109 6.258 0.386 -16.329 497 HH22 ARG 109 HH22 ARG 109 5.667 1.610 -17.409 498 H TYR 110 H TYR 110 3.314 -6.780 -14.703 499 HA TYR 110 HA TYR 110 0.725 -7.092 -13.238 500 HB2 TYR 110 HB2 TYR 110 1.368 -7.611 -16.161 501 HB3 TYR 110 HB3 TYR 110 -0.098 -8.092 -15.331 502 HD1 TYR 110 HD1 TYR 110 -1.673 -6.348 -14.409 503 HD2 TYR 110 HD2 TYR 110 1.554 -5.448 -17.130 504 HE1 TYR 110 HE1 TYR 110 -2.874 -4.302 -15.147 505 HE2 TYR 110 HE2 TYR 110 0.354 -3.380 -17.858 506 HH TYR 110 HH TYR 110 -2.818 -2.422 -16.498 507 HA PRO 111 HA PRO 111 3.408 -10.782 -12.531 508 HB2 PRO 111 HB2 PRO 111 2.561 -11.472 -10.021 509 HB3 PRO 111 HB3 PRO 111 3.701 -10.130 -10.341 510 HG2 PRO 111 HG2 PRO 111 0.695 -9.958 -9.940 511 HG3 PRO 111 HG3 PRO 111 1.975 -8.994 -9.131 512 HD2 PRO 111 HD2 PRO 111 0.630 -8.048 -11.290 513 HD3 PRO 111 HD3 PRO 111 2.380 -7.724 -11.089 514 H HIS 112 H HIS 112 -0.058 -10.541 -12.716 515 HA HIS 112 HA HIS 112 -0.677 -13.321 -12.282 516 HB2 HIS 112 HB2 HIS 112 -2.870 -12.731 -12.839 517 HB3 HIS 112 HB3 HIS 112 -2.213 -11.381 -11.921 518 HD2 HIS 112 HD2 HIS 112 -3.855 -12.270 -15.175 519 HE1 HIS 112 HE1 HIS 112 -2.453 -8.292 -15.759 520 HE2 HIS 112 HE2 HIS 112 -3.894 -10.160 -16.741 521 H LEU 113 H LEU 113 0.734 -11.810 -15.062 522 HA LEU 113 HA LEU 113 -0.452 -13.584 -17.047 523 HB2 LEU 113 HB2 LEU 113 2.041 -11.828 -17.190 524 HB3 LEU 113 HB3 LEU 113 1.417 -12.780 -18.517 525 HG LEU 113 HG LEU 113 0.721 -10.608 -18.985 526 HD11 LEU 113 HD11 LEU 113 -1.731 -11.764 -17.599 527 HD12 LEU 113 HD12 LEU 113 -1.690 -10.656 -18.980 528 HD13 LEU 113 HD13 LEU 113 -1.137 -12.337 -19.166 529 HD21 LEU 113 HD21 LEU 113 1.181 -9.615 -16.915 530 HD22 LEU 113 HD22 LEU 113 -0.410 -9.115 -17.526 531 HD23 LEU 113 HD23 LEU 113 -0.297 -10.292 -16.196 532 H ARG 114 H ARG 114 2.098 -14.047 -14.747 533 HA ARG 114 HA ARG 114 3.289 -16.286 -16.248 534 HB2 ARG 114 HB2 ARG 114 4.226 -14.497 -14.194 535 HB3 ARG 114 HB3 ARG 114 4.322 -16.128 -13.558 536 HG2 ARG 114 HG2 ARG 114 5.426 -15.421 -16.304 537 HG3 ARG 114 HG3 ARG 114 6.351 -15.138 -14.837 538 HD2 ARG 114 HD2 ARG 114 6.969 -17.251 -15.958 539 HD3 ARG 114 HD3 ARG 114 6.410 -17.485 -14.298 540 HE ARG 114 HE ARG 114 4.146 -18.048 -15.334 541 HH11 ARG 114 HH11 ARG 114 7.045 -18.956 -17.115 542 HH12 ARG 114 HH12 ARG 114 6.162 -20.186 -17.984 543 HH21 ARG 114 HH21 ARG 114 3.179 -19.449 -16.359 544 HH22 ARG 114 HH22 ARG 114 3.953 -20.496 -17.553 Start of MODEL 9 1 H1 MET 1 H1 MET 1 14.232 4.033 -4.194 2 H2 MET 1 H2 MET 1 15.457 2.984 -3.944 3 H3 MET 1 H3 MET 1 14.084 2.841 -3.077 4 HA MET 1 HA MET 1 14.133 1.127 -4.781 5 HB2 MET 1 HB2 MET 1 12.066 3.304 -5.379 6 HB3 MET 1 HB3 MET 1 12.006 1.653 -5.992 7 HG2 MET 1 HG2 MET 1 11.866 0.785 -3.671 8 HG3 MET 1 HG3 MET 1 11.857 2.446 -3.060 9 HE1 MET 1 HE1 MET 1 9.673 2.061 -1.682 10 HE2 MET 1 HE2 MET 1 8.189 1.351 -2.354 11 HE3 MET 1 HE3 MET 1 9.661 0.362 -2.214 12 H ARG 2 H ARG 2 14.270 0.521 -7.026 13 HA ARG 2 HA ARG 2 15.176 2.628 -8.957 14 HB2 ARG 2 HB2 ARG 2 16.439 -0.138 -8.689 15 HB3 ARG 2 HB3 ARG 2 16.772 1.052 -9.936 16 HG2 ARG 2 HG2 ARG 2 18.540 1.576 -8.648 17 HG3 ARG 2 HG3 ARG 2 17.377 2.598 -7.818 18 HD2 ARG 2 HD2 ARG 2 18.642 1.403 -6.166 19 HD3 ARG 2 HD3 ARG 2 17.015 0.697 -6.168 20 HE ARG 2 HE ARG 2 18.692 -0.769 -7.971 21 HH11 ARG 2 HH11 ARG 2 18.399 -0.338 -4.502 22 HH12 ARG 2 HH12 ARG 2 19.043 -1.919 -4.162 23 HH21 ARG 2 HH21 ARG 2 19.501 -2.773 -7.465 24 HH22 ARG 2 HH22 ARG 2 19.660 -3.254 -5.802 25 H GLY 3 H GLY 3 14.345 2.502 -10.944 26 HA2 GLY 3 HA2 GLY 3 12.376 0.399 -11.676 27 HA3 GLY 3 HA3 GLY 3 12.768 1.859 -12.586 28 H SER 4 H SER 4 15.187 1.906 -13.287 29 HA SER 4 HA SER 4 16.756 1.188 -14.706 30 HB2 SER 4 HB2 SER 4 17.232 0.063 -12.418 31 HB3 SER 4 HB3 SER 4 16.880 -1.451 -13.265 32 HG SER 4 HG SER 4 19.123 -0.877 -13.348 33 H HIS 5 H HIS 5 14.214 0.851 -15.792 34 HA HIS 5 HA HIS 5 14.072 -1.686 -17.242 35 HB2 HIS 5 HB2 HIS 5 12.524 0.907 -17.569 36 HB3 HIS 5 HB3 HIS 5 12.136 -0.630 -18.341 37 HD2 HIS 5 HD2 HIS 5 10.911 -2.493 -16.896 38 HE1 HIS 5 HE1 HIS 5 10.258 -0.127 -13.407 39 HE2 HIS 5 HE2 HIS 5 9.637 -2.291 -14.590 40 H HIS 6 H HIS 6 15.063 1.627 -18.080 41 HA HIS 6 HA HIS 6 16.042 2.574 -19.891 42 HB2 HIS 6 HB2 HIS 6 17.574 -0.033 -19.994 43 HB3 HIS 6 HB3 HIS 6 18.111 1.539 -20.582 44 HD2 HIS 6 HD2 HIS 6 18.283 -0.633 -17.589 45 HE1 HIS 6 HE1 HIS 6 19.173 3.248 -16.061 46 HE2 HIS 6 HE2 HIS 6 19.139 0.747 -15.527 47 H HIS 7 H HIS 7 13.570 1.384 -20.708 48 HA HIS 7 HA HIS 7 14.126 0.485 -23.505 49 HB2 HIS 7 HB2 HIS 7 12.928 -1.022 -21.812 50 HB3 HIS 7 HB3 HIS 7 11.574 0.094 -21.929 51 HD2 HIS 7 HD2 HIS 7 10.305 0.205 -24.386 52 HE1 HIS 7 HE1 HIS 7 11.979 -3.390 -25.925 53 HE2 HIS 7 HE2 HIS 7 10.235 -1.560 -26.307 54 H HIS 8 H HIS 8 12.897 1.338 -25.248 55 HA HIS 8 HA HIS 8 10.699 3.103 -24.739 56 HB2 HIS 8 HB2 HIS 8 12.543 4.783 -24.642 57 HB3 HIS 8 HB3 HIS 8 12.961 4.366 -26.308 58 HD2 HIS 8 HD2 HIS 8 12.036 6.267 -27.815 59 HE1 HIS 8 HE1 HIS 8 8.130 6.668 -26.161 60 HE2 HIS 8 HE2 HIS 8 9.686 7.431 -28.028 61 H HIS 9 H HIS 9 9.322 3.336 -26.418 62 HA HIS 9 HA HIS 9 7.979 2.433 -27.998 63 HB2 HIS 9 HB2 HIS 9 9.713 3.975 -29.180 64 HB3 HIS 9 HB3 HIS 9 10.289 2.487 -29.922 65 HD2 HIS 9 HD2 HIS 9 9.221 4.555 -31.872 66 HE1 HIS 9 HE1 HIS 9 5.415 2.631 -31.857 67 HE2 HIS 9 HE2 HIS 9 6.911 4.270 -33.105 68 H HIS 10 H HIS 10 7.875 0.753 -29.978 69 HA HIS 10 HA HIS 10 9.301 -1.763 -29.518 70 HB2 HIS 10 HB2 HIS 10 7.448 -1.550 -27.675 71 HB3 HIS 10 HB3 HIS 10 6.317 -1.848 -28.990 72 HD2 HIS 10 HD2 HIS 10 6.322 -4.368 -30.044 73 HE1 HIS 10 HE1 HIS 10 8.839 -6.127 -27.081 74 HE2 HIS 10 HE2 HIS 10 7.277 -6.609 -29.037 75 H GLY 11 H GLY 11 6.567 -0.097 -31.087 76 HA2 GLY 11 HA2 GLY 11 5.674 -0.367 -33.254 77 HA3 GLY 11 HA3 GLY 11 6.724 -1.753 -33.539 78 H SER 12 H SER 12 3.639 -0.689 -32.441 79 HA SER 12 HA SER 12 2.530 -3.407 -32.193 80 HB2 SER 12 HB2 SER 12 3.540 -2.761 -29.942 81 HB3 SER 12 HB3 SER 12 2.330 -1.475 -29.867 82 HG SER 12 HG SER 12 1.115 -3.033 -29.039 83 H GLY 58 H GLY 58 0.090 -2.996 -31.337 84 HA2 GLY 58 HA2 GLY 58 -1.518 -0.935 -31.362 85 HA3 GLY 58 HA3 GLY 58 -1.166 -0.905 -33.085 86 H ALA 59 H ALA 59 -3.121 -2.247 -30.653 87 HA ALA 59 HA ALA 59 -4.838 -3.666 -32.516 88 HB1 ALA 59 HB1 ALA 59 -3.324 -5.250 -30.377 89 HB2 ALA 59 HB2 ALA 59 -4.600 -5.892 -31.432 90 HB3 ALA 59 HB3 ALA 59 -3.061 -5.382 -32.125 91 H LEU 60 H LEU 60 -6.532 -4.973 -30.968 92 HA LEU 60 HA LEU 60 -7.298 -3.256 -28.639 93 HB2 LEU 60 HB2 LEU 60 -8.793 -5.322 -30.289 94 HB3 LEU 60 HB3 LEU 60 -9.310 -4.877 -28.669 95 HG LEU 60 HG LEU 60 -9.573 -2.520 -29.338 96 HD11 LEU 60 HD11 LEU 60 -8.927 -3.521 -32.145 97 HD12 LEU 60 HD12 LEU 60 -9.691 -1.959 -31.774 98 HD13 LEU 60 HD13 LEU 60 -8.050 -2.276 -31.221 99 HD21 LEU 60 HD21 LEU 60 -11.463 -4.108 -29.421 100 HD22 LEU 60 HD22 LEU 60 -11.604 -2.871 -30.678 101 HD23 LEU 60 HD23 LEU 60 -11.059 -4.509 -31.106 102 H ALA 61 H ALA 61 -7.236 -4.065 -26.555 103 HA ALA 61 HA ALA 61 -5.856 -6.676 -26.124 104 HB1 ALA 61 HB1 ALA 61 -6.392 -4.346 -24.235 105 HB2 ALA 61 HB2 ALA 61 -5.532 -5.841 -23.820 106 HB3 ALA 61 HB3 ALA 61 -4.846 -4.737 -25.020 107 H ALA 62 H ALA 62 -6.861 -8.404 -25.219 108 HA ALA 62 HA ALA 62 -9.712 -8.218 -24.439 109 HB1 ALA 62 HB1 ALA 62 -7.834 -10.604 -24.583 110 HB2 ALA 62 HB2 ALA 62 -9.575 -10.655 -24.249 111 HB3 ALA 62 HB3 ALA 62 -8.994 -10.108 -25.835 112 H LEU 63 H LEU 63 -10.447 -8.364 -22.380 113 HA LEU 63 HA LEU 63 -8.465 -8.424 -20.142 114 HB2 LEU 63 HB2 LEU 63 -11.055 -6.856 -20.171 115 HB3 LEU 63 HB3 LEU 63 -9.785 -6.805 -18.958 116 HG LEU 63 HG LEU 63 -9.625 -5.704 -21.798 117 HD11 LEU 63 HD11 LEU 63 -9.696 -4.303 -19.097 118 HD12 LEU 63 HD12 LEU 63 -9.585 -3.524 -20.690 119 HD13 LEU 63 HD13 LEU 63 -11.048 -4.415 -20.247 120 HD21 LEU 63 HD21 LEU 63 -7.381 -6.397 -21.146 121 HD22 LEU 63 HD22 LEU 63 -7.507 -4.647 -21.088 122 HD23 LEU 63 HD23 LEU 63 -7.552 -5.577 -19.569 123 H HIS 64 H HIS 64 -9.177 -9.374 -18.171 124 HA HIS 64 HA HIS 64 -11.199 -11.501 -18.342 125 HB2 HIS 64 HB2 HIS 64 -9.679 -10.276 -16.035 126 HB3 HIS 64 HB3 HIS 64 -10.809 -11.610 -15.844 127 HD2 HIS 64 HD2 HIS 64 -7.214 -10.942 -16.388 128 HE1 HIS 64 HE1 HIS 64 -7.739 -15.047 -17.418 129 HE2 HIS 64 HE2 HIS 64 -6.020 -13.241 -16.895 130 H ALA 65 H ALA 65 -13.354 -11.368 -17.793 131 HA ALA 65 HA ALA 65 -14.450 -8.683 -17.326 132 HB1 ALA 65 HB1 ALA 65 -15.801 -11.357 -17.860 133 HB2 ALA 65 HB2 ALA 65 -16.568 -9.757 -17.913 134 HB3 ALA 65 HB3 ALA 65 -15.311 -10.168 -19.096 135 H ASP 66 H ASP 66 -13.906 -11.524 -15.354 136 HA ASP 66 HA ASP 66 -15.432 -10.407 -13.077 137 HB2 ASP 66 HB2 ASP 66 -17.007 -11.706 -14.542 138 HB3 ASP 66 HB3 ASP 66 -15.990 -13.128 -14.325 139 H GLY 67 H GLY 67 -15.236 -11.874 -11.121 140 HA2 GLY 67 HA2 GLY 67 -14.107 -13.217 -9.627 141 HA3 GLY 67 HA3 GLY 67 -13.276 -13.935 -10.992 142 HA PRO 68 HA PRO 68 -10.103 -12.073 -8.251 143 HB2 PRO 68 HB2 PRO 68 -7.870 -13.314 -9.381 144 HB3 PRO 68 HB3 PRO 68 -8.964 -14.062 -8.173 145 HG2 PRO 68 HG2 PRO 68 -8.993 -14.343 -11.187 146 HG3 PRO 68 HG3 PRO 68 -9.129 -15.632 -9.949 147 HD2 PRO 68 HD2 PRO 68 -11.309 -14.640 -11.178 148 HD3 PRO 68 HD3 PRO 68 -11.361 -15.014 -9.426 149 H HIS 69 H HIS 69 -9.934 -12.081 -11.769 150 HA HIS 69 HA HIS 69 -7.914 -9.876 -11.801 151 HB2 HIS 69 HB2 HIS 69 -8.459 -12.160 -13.692 152 HB3 HIS 69 HB3 HIS 69 -7.332 -10.855 -14.014 153 HD2 HIS 69 HD2 HIS 69 -6.145 -13.573 -14.044 154 HE1 HIS 69 HE1 HIS 69 -4.490 -12.823 -10.200 155 HE2 HIS 69 HE2 HIS 69 -4.362 -14.331 -12.245 156 H ALA 70 H ALA 70 -11.045 -9.651 -11.846 157 HA ALA 70 HA ALA 70 -11.928 -8.856 -14.352 158 HB1 ALA 70 HB1 ALA 70 -12.681 -7.658 -11.658 159 HB2 ALA 70 HB2 ALA 70 -13.639 -7.567 -13.154 160 HB3 ALA 70 HB3 ALA 70 -13.358 -9.136 -12.375 161 H GLY 71 H GLY 71 -11.387 -7.340 -15.754 162 HA2 GLY 71 HA2 GLY 71 -10.872 -5.227 -16.602 163 HA3 GLY 71 HA3 GLY 71 -10.463 -4.645 -14.991 164 H LEU 72 H LEU 72 -8.671 -7.432 -15.142 165 HA LEU 72 HA LEU 72 -6.235 -6.035 -16.021 166 HB2 LEU 72 HB2 LEU 72 -6.543 -8.923 -15.145 167 HB3 LEU 72 HB3 LEU 72 -5.055 -8.009 -15.307 168 HG LEU 72 HG LEU 72 -7.157 -7.553 -13.170 169 HD11 LEU 72 HD11 LEU 72 -4.292 -8.551 -12.941 170 HD12 LEU 72 HD12 LEU 72 -5.541 -8.530 -11.683 171 HD13 LEU 72 HD13 LEU 72 -5.666 -9.648 -13.056 172 HD21 LEU 72 HD21 LEU 72 -6.071 -5.425 -13.732 173 HD22 LEU 72 HD22 LEU 72 -5.481 -6.026 -12.177 174 HD23 LEU 72 HD23 LEU 72 -4.467 -6.192 -13.628 175 HA PRO 73 HA PRO 73 -6.138 -7.849 -20.163 176 HB2 PRO 73 HB2 PRO 73 -3.427 -8.183 -20.540 177 HB3 PRO 73 HB3 PRO 73 -4.261 -6.607 -20.667 178 HG2 PRO 73 HG2 PRO 73 -2.742 -7.776 -18.318 179 HG3 PRO 73 HG3 PRO 73 -2.653 -6.107 -18.968 180 HD2 PRO 73 HD2 PRO 73 -4.135 -6.677 -16.792 181 HD3 PRO 73 HD3 PRO 73 -4.703 -5.495 -17.997 182 H VAL 74 H VAL 74 -6.039 -9.917 -21.139 183 HA VAL 74 HA VAL 74 -5.788 -12.094 -19.208 184 HB VAL 74 HB VAL 74 -6.495 -12.341 -22.143 185 HG11 VAL 74 HG11 VAL 74 -6.891 -14.166 -19.738 186 HG12 VAL 74 HG12 VAL 74 -7.566 -14.448 -21.358 187 HG13 VAL 74 HG13 VAL 74 -5.816 -14.474 -21.121 188 HG21 VAL 74 HG21 VAL 74 -8.118 -10.870 -21.006 189 HG22 VAL 74 HG22 VAL 74 -8.839 -12.443 -21.336 190 HG23 VAL 74 HG23 VAL 74 -8.289 -12.049 -19.693 191 H THR 75 H THR 75 -4.073 -11.459 -22.369 192 HA THR 75 HA THR 75 -1.960 -13.360 -21.500 193 HB THR 75 HB THR 75 -1.373 -13.538 -23.772 194 HG1 THR 75 HG1 THR 75 -2.687 -12.258 -25.325 195 HG21 THR 75 HG21 THR 75 -4.408 -13.470 -23.790 196 HG22 THR 75 HG22 THR 75 -3.335 -14.406 -24.849 197 HG23 THR 75 HG23 THR 75 -3.428 -14.797 -23.124 198 H ARG 76 H ARG 76 0.306 -12.873 -22.229 199 HA ARG 76 HA ARG 76 1.353 -10.357 -21.348 200 HB2 ARG 76 HB2 ARG 76 2.640 -12.477 -21.540 201 HB3 ARG 76 HB3 ARG 76 2.520 -12.398 -23.303 202 HG2 ARG 76 HG2 ARG 76 3.842 -10.283 -23.295 203 HG3 ARG 76 HG3 ARG 76 3.899 -10.332 -21.526 204 HD2 ARG 76 HD2 ARG 76 6.008 -11.145 -22.432 205 HD3 ARG 76 HD3 ARG 76 5.162 -12.433 -21.593 206 HE ARG 76 HE ARG 76 4.900 -13.611 -23.563 207 HH11 ARG 76 HH11 ARG 76 6.082 -10.424 -24.505 208 HH12 ARG 76 HH12 ARG 76 6.414 -10.955 -26.128 209 HH21 ARG 76 HH21 ARG 76 5.319 -14.173 -25.647 210 HH22 ARG 76 HH22 ARG 76 5.978 -13.013 -26.757 211 H SER 77 H SER 77 0.321 -11.395 -24.607 212 HA SER 77 HA SER 77 1.075 -8.960 -25.948 213 HB2 SER 77 HB2 SER 77 -1.068 -10.998 -26.655 214 HB3 SER 77 HB3 SER 77 -0.454 -9.721 -27.725 215 HG SER 77 HG SER 77 0.619 -11.774 -28.030 216 H ASP 78 H ASP 78 -2.049 -9.950 -24.370 217 HA ASP 78 HA ASP 78 -3.419 -7.500 -24.960 218 HB2 ASP 78 HB2 ASP 78 -3.686 -9.339 -22.554 219 HB3 ASP 78 HB3 ASP 78 -4.789 -8.030 -22.956 220 H ALA 79 H ALA 79 -1.289 -8.367 -22.200 221 HA ALA 79 HA ALA 79 -1.477 -5.870 -20.818 222 HB1 ALA 79 HB1 ALA 79 0.761 -7.894 -20.862 223 HB2 ALA 79 HB2 ALA 79 0.452 -6.650 -19.614 224 HB3 ALA 79 HB3 ALA 79 -0.690 -7.985 -19.854 225 H ARG 80 H ARG 80 0.913 -6.943 -23.273 226 HA ARG 80 HA ARG 80 2.380 -4.507 -23.512 227 HB2 ARG 80 HB2 ARG 80 2.835 -6.821 -24.574 228 HB3 ARG 80 HB3 ARG 80 1.636 -6.397 -25.798 229 HG2 ARG 80 HG2 ARG 80 3.073 -4.251 -26.189 230 HG3 ARG 80 HG3 ARG 80 4.306 -5.071 -25.225 231 HD2 ARG 80 HD2 ARG 80 4.877 -5.550 -27.447 232 HD3 ARG 80 HD3 ARG 80 4.070 -7.019 -26.903 233 HE ARG 80 HE ARG 80 2.773 -4.820 -28.537 234 HH11 ARG 80 HH11 ARG 80 3.155 -8.288 -28.090 235 HH12 ARG 80 HH12 ARG 80 2.065 -8.647 -29.393 236 HH21 ARG 80 HH21 ARG 80 1.442 -5.328 -30.145 237 HH22 ARG 80 HH22 ARG 80 1.109 -6.996 -30.549 238 H VAL 81 H VAL 81 -0.691 -5.473 -25.089 239 HA VAL 81 HA VAL 81 -0.777 -3.091 -26.772 240 HB VAL 81 HB VAL 81 -2.753 -5.314 -26.181 241 HG11 VAL 81 HG11 VAL 81 -3.050 -2.999 -28.145 242 HG12 VAL 81 HG12 VAL 81 -4.066 -4.460 -28.099 243 HG13 VAL 81 HG13 VAL 81 -4.098 -3.323 -26.751 244 HG21 VAL 81 HG21 VAL 81 -0.680 -5.784 -27.602 245 HG22 VAL 81 HG22 VAL 81 -2.213 -6.028 -28.436 246 HG23 VAL 81 HG23 VAL 81 -1.253 -4.560 -28.743 247 H LEU 82 H LEU 82 -2.322 -4.005 -23.645 248 HA LEU 82 HA LEU 82 -3.784 -1.619 -23.348 249 HB2 LEU 82 HB2 LEU 82 -3.102 -3.918 -21.729 250 HB3 LEU 82 HB3 LEU 82 -2.679 -2.508 -20.786 251 HG LEU 82 HG LEU 82 -5.382 -3.076 -22.051 252 HD11 LEU 82 HD11 LEU 82 -4.419 -3.078 -19.149 253 HD12 LEU 82 HD12 LEU 82 -6.110 -3.259 -19.657 254 HD13 LEU 82 HD13 LEU 82 -4.922 -4.488 -20.111 255 HD21 LEU 82 HD21 LEU 82 -5.016 -0.649 -21.958 256 HD22 LEU 82 HD22 LEU 82 -6.149 -1.111 -20.687 257 HD23 LEU 82 HD23 LEU 82 -4.448 -0.771 -20.281 258 H ILE 83 H ILE 83 -0.426 -2.344 -22.244 259 HA ILE 83 HA ILE 83 0.171 0.252 -21.229 260 HB ILE 83 HB ILE 83 1.952 -1.893 -22.445 261 HG12 ILE 83 HG12 ILE 83 1.707 -0.997 -19.537 262 HG13 ILE 83 HG13 ILE 83 0.695 -2.268 -20.213 263 HG21 ILE 83 HG21 ILE 83 2.709 0.794 -21.215 264 HG22 ILE 83 HG22 ILE 83 3.845 -0.552 -21.290 265 HG23 ILE 83 HG23 ILE 83 3.205 0.117 -22.785 266 HD11 ILE 83 HD11 ILE 83 3.729 -2.360 -19.984 267 HD12 ILE 83 HD12 ILE 83 2.539 -3.316 -19.088 268 HD13 ILE 83 HD13 ILE 83 2.736 -3.569 -20.832 269 H PHE 84 H PHE 84 0.635 -1.063 -24.552 270 HA PHE 84 HA PHE 84 1.761 1.274 -25.642 271 HB2 PHE 84 HB2 PHE 84 1.717 -1.039 -26.624 272 HB3 PHE 84 HB3 PHE 84 0.041 -0.787 -27.068 273 HD1 PHE 84 HD2 PHE 84 3.447 0.772 -27.430 274 HD2 PHE 84 HD1 PHE 84 -0.486 0.282 -29.111 275 HE1 PHE 84 HE2 PHE 84 4.242 1.808 -29.526 276 HE2 PHE 84 HE1 PHE 84 0.300 1.353 -31.227 277 HZ PHE 84 HZ PHE 84 2.661 2.092 -31.447 278 H ASN 85 H ASN 85 -1.709 0.260 -25.862 279 HA ASN 85 HA ASN 85 -2.588 2.592 -27.211 280 HB2 ASN 85 HB2 ASN 85 -4.054 0.644 -25.374 281 HB3 ASN 85 HB3 ASN 85 -4.856 1.876 -26.338 282 HD21 ASN 85 HD22 ASN 85 -5.823 -0.474 -26.884 283 HD22 ASN 85 HD21 ASN 85 -5.135 -1.147 -28.366 284 H ASP 86 H ASP 86 -2.457 1.953 -23.658 285 HA ASP 86 HA ASP 86 -3.566 4.470 -22.845 286 HB2 ASP 86 HB2 ASP 86 -3.347 2.508 -21.365 287 HB3 ASP 86 HB3 ASP 86 -1.585 2.640 -21.439 288 H TRP 87 H TRP 87 -0.138 3.447 -23.388 289 HA TRP 87 HA TRP 87 1.053 5.995 -22.893 290 HB2 TRP 87 HB2 TRP 87 2.465 4.089 -22.999 291 HB3 TRP 87 HB3 TRP 87 1.849 3.617 -24.578 292 HD1 TRP 87 HD1 TRP 87 4.062 6.374 -23.029 293 HE1 TRP 87 HE1 TRP 87 5.844 7.016 -24.792 294 HE3 TRP 87 HE3 TRP 87 2.162 3.924 -27.117 295 HZ2 TRP 87 HZ2 TRP 87 6.352 6.553 -27.579 296 HZ3 TRP 87 HZ3 TRP 87 3.258 4.140 -29.327 297 HH2 TRP 87 HH2 TRP 87 5.378 5.406 -29.566 298 H GLU 88 H GLU 88 -0.236 4.634 -26.009 299 HA GLU 88 HA GLU 88 0.510 6.850 -27.611 300 HB2 GLU 88 HB2 GLU 88 -1.618 4.693 -27.795 301 HB3 GLU 88 HB3 GLU 88 -1.717 6.059 -28.869 302 HG2 GLU 88 HG2 GLU 88 0.932 5.405 -29.194 303 HG3 GLU 88 HG3 GLU 88 0.233 3.818 -28.875 304 H GLU 89 H GLU 89 -2.545 6.407 -25.712 305 HA GLU 89 HA GLU 89 -3.674 8.925 -26.482 306 HB2 GLU 89 HB2 GLU 89 -4.849 6.918 -25.534 307 HB3 GLU 89 HB3 GLU 89 -4.035 7.200 -23.996 308 HG2 GLU 89 HG2 GLU 89 -6.171 8.055 -23.755 309 HG3 GLU 89 HG3 GLU 89 -5.140 9.472 -23.925 310 H ARG 90 H ARG 90 -1.788 7.948 -23.546 311 HA ARG 90 HA ARG 90 -1.729 10.602 -22.407 312 HB2 ARG 90 HB2 ARG 90 0.091 8.187 -22.000 313 HB3 ARG 90 HB3 ARG 90 0.184 9.661 -21.041 314 HG2 ARG 90 HG2 ARG 90 -2.305 7.908 -21.183 315 HG3 ARG 90 HG3 ARG 90 -1.060 7.802 -19.939 316 HD2 ARG 90 HD2 ARG 90 -1.497 10.168 -19.309 317 HD3 ARG 90 HD3 ARG 90 -2.799 10.252 -20.493 318 HE ARG 90 HE ARG 90 -2.793 8.864 -17.900 319 HH11 ARG 90 HH11 ARG 90 -4.578 9.159 -20.914 320 HH12 ARG 90 HH12 ARG 90 -6.024 8.488 -20.217 321 HH21 ARG 90 HH21 ARG 90 -4.669 8.021 -17.092 322 HH22 ARG 90 HH22 ARG 90 -6.068 7.861 -18.109 323 H LYS 91 H LYS 91 0.430 9.061 -24.737 324 HA LYS 91 HA LYS 91 2.399 11.184 -24.748 325 HB2 LYS 91 HB2 LYS 91 2.890 8.846 -25.308 326 HB3 LYS 91 HB3 LYS 91 1.853 8.933 -26.726 327 HG2 LYS 91 HG2 LYS 91 3.963 11.029 -26.677 328 HG3 LYS 91 HG3 LYS 91 4.606 9.390 -26.589 329 HD2 LYS 91 HD2 LYS 91 3.396 8.722 -28.609 330 HD3 LYS 91 HD3 LYS 91 2.637 10.328 -28.721 331 HE2 LYS 91 HE2 LYS 91 4.899 11.368 -28.934 332 HE3 LYS 91 HE3 LYS 91 5.644 9.769 -28.834 333 HZ1 LYS 91 HZ1 LYS 91 3.795 10.656 -31.003 334 HZ2 LYS 91 HZ2 LYS 91 5.409 10.487 -31.148 335 HZ3 LYS 91 HZ3 LYS 91 4.478 9.169 -30.909 336 H ARG 92 H ARG 92 -0.556 10.580 -26.699 337 HA ARG 92 HA ARG 92 -0.251 12.995 -28.312 338 HB2 ARG 92 HB2 ARG 92 -2.649 11.345 -27.452 339 HB3 ARG 92 HB3 ARG 92 -2.831 12.836 -28.381 340 HG2 ARG 92 HG2 ARG 92 -1.593 11.996 -30.236 341 HG3 ARG 92 HG3 ARG 92 -0.966 10.631 -29.307 342 HD2 ARG 92 HD2 ARG 92 -3.297 9.722 -29.103 343 HD3 ARG 92 HD3 ARG 92 -3.884 11.077 -30.071 344 HE ARG 92 HE ARG 92 -3.253 9.946 -31.965 345 HH11 ARG 92 HH11 ARG 92 -1.243 8.583 -29.376 346 HH12 ARG 92 HH12 ARG 92 -0.673 7.326 -30.504 347 HH21 ARG 92 HH21 ARG 92 -2.381 8.215 -33.190 348 HH22 ARG 92 HH22 ARG 92 -1.275 7.112 -32.368 349 H SER 93 H SER 93 -1.708 12.500 -25.047 350 HA SER 93 HA SER 93 -2.300 15.309 -24.717 351 HB2 SER 93 HB2 SER 93 -1.880 13.153 -22.621 352 HB3 SER 93 HB3 SER 93 -2.535 14.772 -22.322 353 HG SER 93 HG SER 93 -4.232 13.270 -22.638 354 H GLU 94 H GLU 94 0.589 13.428 -23.839 355 HA GLU 94 HA GLU 94 2.054 15.873 -22.934 356 HB2 GLU 94 HB2 GLU 94 1.862 13.154 -21.586 357 HB3 GLU 94 HB3 GLU 94 2.946 14.462 -21.129 358 HG2 GLU 94 HG2 GLU 94 0.951 15.933 -20.746 359 HG3 GLU 94 HG3 GLU 94 -0.096 14.542 -21.050 360 HA PRO 95 HA PRO 95 4.277 13.723 -26.227 361 HB2 PRO 95 HB2 PRO 95 5.940 15.720 -27.126 362 HB3 PRO 95 HB3 PRO 95 4.175 15.681 -27.422 363 HG2 PRO 95 HG2 PRO 95 5.654 17.153 -25.212 364 HG3 PRO 95 HG3 PRO 95 4.432 17.811 -26.351 365 HD2 PRO 95 HD2 PRO 95 3.732 17.000 -23.867 366 HD3 PRO 95 HD3 PRO 95 2.666 16.655 -25.264 367 H TRP 96 H TRP 96 5.767 14.712 -23.318 368 HA TRP 96 HA TRP 96 8.499 13.869 -23.896 369 HB2 TRP 96 HB2 TRP 96 8.793 14.283 -21.471 370 HB3 TRP 96 HB3 TRP 96 8.116 15.635 -22.352 371 HD1 TRP 96 HD1 TRP 96 6.764 12.701 -20.189 372 HE1 TRP 96 HE1 TRP 96 4.806 13.568 -18.762 373 HE3 TRP 96 HE3 TRP 96 6.417 17.456 -22.079 374 HZ2 TRP 96 HZ2 TRP 96 3.296 16.014 -18.475 375 HZ3 TRP 96 HZ3 TRP 96 4.662 19.009 -21.254 376 HH2 TRP 96 HH2 TRP 96 3.106 18.303 -19.449 377 H LEU 97 H LEU 97 5.773 12.002 -23.506 378 HA LEU 97 HA LEU 97 6.309 10.217 -21.504 379 HB2 LEU 97 HB2 LEU 97 4.429 10.482 -23.620 380 HB3 LEU 97 HB3 LEU 97 5.106 8.913 -23.868 381 HG LEU 97 HG LEU 97 3.241 8.463 -22.601 382 HD11 LEU 97 HD11 LEU 97 5.200 8.859 -20.294 383 HD12 LEU 97 HD12 LEU 97 3.817 7.763 -20.370 384 HD13 LEU 97 HD13 LEU 97 5.210 7.447 -21.396 385 HD21 LEU 97 HD21 LEU 97 2.620 10.739 -22.118 386 HD22 LEU 97 HD22 LEU 97 2.480 9.710 -20.680 387 HD23 LEU 97 HD23 LEU 97 3.849 10.841 -20.837 388 H ARG 98 H ARG 98 7.253 8.166 -21.244 389 HA ARG 98 HA ARG 98 8.833 7.010 -23.501 390 HB2 ARG 98 HB2 ARG 98 10.048 8.132 -21.279 391 HB3 ARG 98 HB3 ARG 98 9.787 6.491 -20.718 392 HG2 ARG 98 HG2 ARG 98 11.863 6.263 -21.677 393 HG3 ARG 98 HG3 ARG 98 10.871 5.819 -23.053 394 HD2 ARG 98 HD2 ARG 98 12.315 8.441 -22.501 395 HD3 ARG 98 HD3 ARG 98 12.600 7.294 -23.815 396 HE ARG 98 HE ARG 98 9.951 8.651 -23.721 397 HH11 ARG 98 HH11 ARG 98 13.124 8.769 -25.210 398 HH12 ARG 98 HH12 ARG 98 12.554 9.778 -26.510 399 HH21 ARG 98 HH21 ARG 98 9.288 9.836 -25.359 400 HH22 ARG 98 HH22 ARG 98 10.409 10.410 -26.580 401 H LEU 99 H LEU 99 8.848 4.826 -23.729 402 HA LEU 99 HA LEU 99 6.456 3.501 -22.528 403 HB2 LEU 99 HB2 LEU 99 6.286 4.191 -24.822 404 HB3 LEU 99 HB3 LEU 99 7.772 3.405 -25.263 405 HG LEU 99 HG LEU 99 5.646 2.331 -26.052 406 HD11 LEU 99 HD11 LEU 99 7.182 0.417 -24.274 407 HD12 LEU 99 HD12 LEU 99 6.466 0.147 -25.867 408 HD13 LEU 99 HD13 LEU 99 7.909 1.137 -25.714 409 HD21 LEU 99 HD21 LEU 99 4.343 2.687 -23.956 410 HD22 LEU 99 HD22 LEU 99 4.265 1.058 -24.633 411 HD23 LEU 99 HD23 LEU 99 5.271 1.372 -23.203 412 H ASP 100 H ASP 100 6.746 1.710 -21.316 413 HA ASP 100 HA ASP 100 9.236 0.069 -21.642 414 HB2 ASP 100 HB2 ASP 100 7.845 0.880 -19.066 415 HB3 ASP 100 HB3 ASP 100 9.189 -0.249 -19.199 416 H MET 101 H MET 101 8.343 -1.637 -22.819 417 HA MET 101 HA MET 101 6.588 -3.436 -21.291 418 HB2 MET 101 HB2 MET 101 4.855 -3.674 -22.912 419 HB3 MET 101 HB3 MET 101 5.005 -1.989 -22.449 420 HG2 MET 101 HG2 MET 101 6.380 -1.632 -24.556 421 HG3 MET 101 HG3 MET 101 5.914 -3.255 -25.037 422 HE1 MET 101 HE1 MET 101 5.081 -2.604 -27.132 423 HE2 MET 101 HE2 MET 101 3.601 -1.710 -27.491 424 HE3 MET 101 HE3 MET 101 5.076 -0.812 -27.089 425 H SER 102 H SER 102 9.287 -3.782 -21.869 426 HA SER 102 HA SER 102 9.611 -6.009 -23.713 427 HB2 SER 102 HB2 SER 102 11.535 -6.550 -22.305 428 HB3 SER 102 HB3 SER 102 11.514 -4.812 -22.654 429 HG SER 102 HG SER 102 11.881 -5.080 -20.454 430 H ASP 103 H ASP 103 9.755 -8.335 -22.881 431 HA ASP 103 HA ASP 103 7.398 -9.118 -21.468 432 HB2 ASP 103 HB2 ASP 103 8.271 -11.335 -21.477 433 HB3 ASP 103 HB3 ASP 103 8.603 -10.587 -23.031 434 H LYS 104 H LYS 104 10.655 -8.361 -20.287 435 HA LYS 104 HA LYS 104 10.186 -9.157 -17.526 436 HB2 LYS 104 HB2 LYS 104 12.225 -7.343 -18.874 437 HB3 LYS 104 HB3 LYS 104 12.108 -7.444 -17.122 438 HG2 LYS 104 HG2 LYS 104 13.854 -8.922 -17.912 439 HG3 LYS 104 HG3 LYS 104 12.556 -9.843 -17.142 440 HD2 LYS 104 HD2 LYS 104 11.670 -10.486 -19.320 441 HD3 LYS 104 HD3 LYS 104 12.891 -9.487 -20.150 442 HE2 LYS 104 HE2 LYS 104 14.659 -10.987 -19.202 443 HE3 LYS 104 HE3 LYS 104 13.392 -11.945 -18.417 444 HZ1 LYS 104 HZ1 LYS 104 13.779 -11.598 -21.345 445 HZ2 LYS 104 HZ2 LYS 104 13.892 -12.998 -20.504 446 HZ3 LYS 104 HZ3 LYS 104 12.428 -12.259 -20.720 447 H ALA 105 H ALA 105 9.790 -5.985 -19.207 448 HA ALA 105 HA ALA 105 8.870 -4.612 -16.859 449 HB1 ALA 105 HB1 ALA 105 8.273 -4.077 -19.795 450 HB2 ALA 105 HB2 ALA 105 8.075 -2.924 -18.459 451 HB3 ALA 105 HB3 ALA 105 9.696 -3.493 -18.907 452 H ILE 106 H ILE 106 7.056 -6.459 -19.353 453 HA ILE 106 HA ILE 106 4.410 -5.957 -18.269 454 HB ILE 106 HB ILE 106 5.411 -8.232 -19.998 455 HG12 ILE 106 HG12 ILE 106 3.777 -5.782 -20.817 456 HG13 ILE 106 HG13 ILE 106 5.529 -5.762 -20.874 457 HG21 ILE 106 HG21 ILE 106 2.585 -7.298 -19.263 458 HG22 ILE 106 HG22 ILE 106 2.935 -8.433 -20.570 459 HG23 ILE 106 HG23 ILE 106 3.304 -8.887 -18.903 460 HD11 ILE 106 HD11 ILE 106 3.750 -7.643 -22.464 461 HD12 ILE 106 HD12 ILE 106 4.697 -6.277 -23.063 462 HD13 ILE 106 HD13 ILE 106 5.529 -7.705 -22.423 463 H PHE 107 H PHE 107 6.648 -8.788 -17.690 464 HA PHE 107 HA PHE 107 4.867 -9.860 -15.701 465 HB2 PHE 107 HB2 PHE 107 7.829 -10.323 -16.174 466 HB3 PHE 107 HB3 PHE 107 6.836 -11.267 -15.073 467 HD1 PHE 107 HD2 PHE 107 4.375 -11.880 -16.469 468 HD2 PHE 107 HD1 PHE 107 8.399 -11.684 -18.007 469 HE1 PHE 107 HE2 PHE 107 3.783 -13.517 -18.239 470 HE2 PHE 107 HE1 PHE 107 7.786 -13.284 -19.804 471 HZ PHE 107 HZ PHE 107 5.484 -14.221 -19.905 472 H ARG 108 H ARG 108 7.532 -7.504 -15.349 473 HA ARG 108 HA ARG 108 7.491 -7.498 -12.443 474 HB2 ARG 108 HB2 ARG 108 8.503 -5.522 -14.523 475 HB3 ARG 108 HB3 ARG 108 8.579 -5.189 -12.798 476 HG2 ARG 108 HG2 ARG 108 9.966 -7.165 -12.390 477 HG3 ARG 108 HG3 ARG 108 9.828 -7.657 -14.076 478 HD2 ARG 108 HD2 ARG 108 11.972 -6.614 -13.794 479 HD3 ARG 108 HD3 ARG 108 10.958 -5.529 -14.764 480 HE ARG 108 HE ARG 108 10.854 -4.962 -11.896 481 HH11 ARG 108 HH11 ARG 108 12.905 -4.294 -14.700 482 HH12 ARG 108 HH12 ARG 108 13.469 -2.798 -13.979 483 HH21 ARG 108 HH21 ARG 108 11.741 -3.066 -11.081 484 HH22 ARG 108 HH22 ARG 108 12.908 -2.200 -12.061 485 H ARG 109 H ARG 109 5.816 -5.428 -14.841 486 HA ARG 109 HA ARG 109 4.453 -3.845 -12.805 487 HB2 ARG 109 HB2 ARG 109 5.065 -3.032 -15.074 488 HB3 ARG 109 HB3 ARG 109 3.887 -4.144 -15.789 489 HG2 ARG 109 HG2 ARG 109 2.047 -2.975 -14.636 490 HG3 ARG 109 HG3 ARG 109 3.209 -1.932 -13.795 491 HD2 ARG 109 HD2 ARG 109 3.961 -1.009 -15.940 492 HD3 ARG 109 HD3 ARG 109 2.831 -2.059 -16.819 493 HE ARG 109 HE ARG 109 1.085 -0.826 -15.223 494 HH11 ARG 109 HH11 ARG 109 3.688 0.705 -17.017 495 HH12 ARG 109 HH12 ARG 109 2.865 2.239 -17.068 496 HH21 ARG 109 HH21 ARG 109 0.101 1.152 -15.326 497 HH22 ARG 109 HH22 ARG 109 0.873 2.473 -16.146 498 H TYR 110 H TYR 110 3.539 -6.635 -14.772 499 HA TYR 110 HA TYR 110 1.017 -6.998 -13.203 500 HB2 TYR 110 HB2 TYR 110 1.512 -7.350 -16.179 501 HB3 TYR 110 HB3 TYR 110 0.098 -7.903 -15.307 502 HD1 TYR 110 HD1 TYR 110 -1.490 -6.299 -14.253 503 HD2 TYR 110 HD2 TYR 110 1.658 -5.078 -16.941 504 HE1 TYR 110 HE1 TYR 110 -2.747 -4.220 -14.768 505 HE2 TYR 110 HE2 TYR 110 0.414 -2.964 -17.425 506 HH TYR 110 HH TYR 110 -2.747 -2.210 -15.921 507 HA PRO 111 HA PRO 111 3.626 -10.808 -12.812 508 HB2 PRO 111 HB2 PRO 111 2.911 -11.531 -10.266 509 HB3 PRO 111 HB3 PRO 111 4.132 -10.272 -10.626 510 HG2 PRO 111 HG2 PRO 111 1.190 -9.879 -9.983 511 HG3 PRO 111 HG3 PRO 111 2.603 -9.047 -9.254 512 HD2 PRO 111 HD2 PRO 111 1.172 -7.920 -11.262 513 HD3 PRO 111 HD3 PRO 111 2.953 -7.741 -11.198 514 H HIS 112 H HIS 112 0.167 -10.306 -12.621 515 HA HIS 112 HA HIS 112 -0.649 -13.031 -12.306 516 HB2 HIS 112 HB2 HIS 112 -2.801 -12.259 -12.691 517 HB3 HIS 112 HB3 HIS 112 -2.002 -10.915 -11.889 518 HD2 HIS 112 HD2 HIS 112 -3.758 -11.942 -15.081 519 HE1 HIS 112 HE1 HIS 112 -2.315 -8.013 -15.866 520 HE2 HIS 112 HE2 HIS 112 -3.778 -9.920 -16.752 521 H LEU 113 H LEU 113 0.768 -11.536 -15.090 522 HA LEU 113 HA LEU 113 -0.512 -13.220 -17.084 523 HB2 LEU 113 HB2 LEU 113 2.081 -11.614 -17.184 524 HB3 LEU 113 HB3 LEU 113 1.454 -12.551 -18.522 525 HG LEU 113 HG LEU 113 0.870 -10.349 -19.037 526 HD11 LEU 113 HD11 LEU 113 -1.669 -11.374 -17.708 527 HD12 LEU 113 HD12 LEU 113 -1.537 -10.304 -19.111 528 HD13 LEU 113 HD13 LEU 113 -1.052 -12.009 -19.242 529 HD21 LEU 113 HD21 LEU 113 1.312 -9.319 -17.014 530 HD22 LEU 113 HD22 LEU 113 -0.277 -8.806 -17.613 531 HD23 LEU 113 HD23 LEU 113 -0.169 -9.968 -16.268 532 H ARG 114 H ARG 114 1.688 -14.014 -14.631 533 HA ARG 114 HA ARG 114 2.457 -16.548 -16.011 534 HB2 ARG 114 HB2 ARG 114 3.751 -15.026 -13.729 535 HB3 ARG 114 HB3 ARG 114 4.038 -16.754 -13.992 536 HG2 ARG 114 HG2 ARG 114 4.811 -16.337 -16.284 537 HG3 ARG 114 HG3 ARG 114 4.468 -14.613 -16.101 538 HD2 ARG 114 HD2 ARG 114 6.180 -14.380 -14.400 539 HD3 ARG 114 HD3 ARG 114 6.481 -16.117 -14.392 540 HE ARG 114 HE ARG 114 7.223 -14.158 -16.504 541 HH11 ARG 114 HH11 ARG 114 7.268 -17.545 -15.577 542 HH12 ARG 114 HH12 ARG 114 8.454 -17.951 -16.785 543 HH21 ARG 114 HH21 ARG 114 8.760 -14.751 -17.992 544 HH22 ARG 114 HH22 ARG 114 9.270 -16.408 -18.113 Start of MODEL 10 1 H1 MET 1 H1 MET 1 10.526 7.020 -4.150 2 H2 MET 1 H2 MET 1 10.737 8.196 -3.040 3 H3 MET 1 H3 MET 1 10.289 6.691 -2.569 4 HA MET 1 HA MET 1 12.887 7.404 -3.798 5 HB2 MET 1 HB2 MET 1 12.247 6.591 -0.919 6 HB3 MET 1 HB3 MET 1 13.869 6.646 -1.601 7 HG2 MET 1 HG2 MET 1 13.618 9.070 -2.059 8 HG3 MET 1 HG3 MET 1 12.005 9.029 -1.346 9 HE1 MET 1 HE1 MET 1 15.850 9.031 -0.742 10 HE2 MET 1 HE2 MET 1 15.994 8.689 0.995 11 HE3 MET 1 HE3 MET 1 15.512 7.396 -0.119 12 H ARG 2 H ARG 2 14.422 5.703 -3.981 13 HA ARG 2 HA ARG 2 15.165 3.746 -4.804 14 HB2 ARG 2 HB2 ARG 2 13.140 2.513 -2.893 15 HB3 ARG 2 HB3 ARG 2 14.200 1.568 -3.906 16 HG2 ARG 2 HG2 ARG 2 15.221 1.627 -1.819 17 HG3 ARG 2 HG3 ARG 2 16.195 2.658 -2.861 18 HD2 ARG 2 HD2 ARG 2 15.282 4.660 -1.826 19 HD3 ARG 2 HD3 ARG 2 14.092 3.722 -0.918 20 HE ARG 2 HE ARG 2 16.974 4.041 -0.366 21 HH11 ARG 2 HH11 ARG 2 14.132 2.163 0.519 22 HH12 ARG 2 HH12 ARG 2 14.842 1.655 2.027 23 HH21 ARG 2 HH21 ARG 2 17.795 3.349 1.572 24 HH22 ARG 2 HH22 ARG 2 16.854 2.307 2.598 25 H GLY 3 H GLY 3 14.777 1.864 -6.131 26 HA2 GLY 3 HA2 GLY 3 13.744 0.666 -7.820 27 HA3 GLY 3 HA3 GLY 3 12.280 1.619 -7.653 28 H SER 4 H SER 4 13.885 0.732 -10.013 29 HA SER 4 HA SER 4 13.598 3.144 -11.611 30 HB2 SER 4 HB2 SER 4 15.936 3.369 -10.700 31 HB3 SER 4 HB3 SER 4 16.344 1.827 -11.474 32 HG SER 4 HG SER 4 16.866 3.700 -12.771 33 H HIS 5 H HIS 5 13.551 2.669 -13.876 34 HA HIS 5 HA HIS 5 13.637 -0.176 -14.739 35 HB2 HIS 5 HB2 HIS 5 11.239 1.648 -15.189 36 HB3 HIS 5 HB3 HIS 5 11.435 0.014 -15.811 37 HD2 HIS 5 HD2 HIS 5 11.421 -2.027 -13.911 38 HE1 HIS 5 HE1 HIS 5 9.359 0.247 -10.946 39 HE2 HIS 5 HE2 HIS 5 10.091 -2.093 -11.634 40 H HIS 6 H HIS 6 14.287 -0.458 -16.847 41 HA HIS 6 HA HIS 6 14.083 1.715 -18.810 42 HB2 HIS 6 HB2 HIS 6 16.224 2.158 -17.567 43 HB3 HIS 6 HB3 HIS 6 16.822 0.594 -18.093 44 HD2 HIS 6 HD2 HIS 6 17.112 4.088 -18.963 45 HE1 HIS 6 HE1 HIS 6 17.659 2.151 -22.725 46 HE2 HIS 6 HE2 HIS 6 17.967 4.334 -21.443 47 H HIS 7 H HIS 7 12.854 0.525 -20.096 48 HA HIS 7 HA HIS 7 14.041 -1.816 -21.535 49 HB2 HIS 7 HB2 HIS 7 11.183 -1.519 -20.499 50 HB3 HIS 7 HB3 HIS 7 11.761 -2.823 -21.531 51 HD2 HIS 7 HD2 HIS 7 11.630 -1.741 -17.899 52 HE1 HIS 7 HE1 HIS 7 13.836 -5.393 -17.955 53 HE2 HIS 7 HE2 HIS 7 12.694 -3.682 -16.455 54 H HIS 8 H HIS 8 12.632 -2.217 -23.632 55 HA HIS 8 HA HIS 8 11.190 0.125 -24.654 56 HB2 HIS 8 HB2 HIS 8 13.583 0.646 -25.172 57 HB3 HIS 8 HB3 HIS 8 13.684 -0.848 -26.106 58 HD2 HIS 8 HD2 HIS 8 13.767 -0.045 -28.594 59 HE1 HIS 8 HE1 HIS 8 10.497 2.697 -28.571 60 HE2 HIS 8 HE2 HIS 8 12.237 1.546 -30.036 61 H HIS 9 H HIS 9 10.031 -0.302 -26.633 62 HA HIS 9 HA HIS 9 10.165 -2.847 -27.963 63 HB2 HIS 9 HB2 HIS 9 8.683 -3.314 -25.883 64 HB3 HIS 9 HB3 HIS 9 7.494 -2.264 -26.654 65 HD2 HIS 9 HD2 HIS 9 9.184 -5.703 -26.968 66 HE1 HIS 9 HE1 HIS 9 6.186 -5.601 -29.998 67 HE2 HIS 9 HE2 HIS 9 7.903 -7.068 -28.822 68 H HIS 10 H HIS 10 8.676 -2.932 -29.851 69 HA HIS 10 HA HIS 10 8.555 -0.267 -31.114 70 HB2 HIS 10 HB2 HIS 10 8.094 -3.046 -32.246 71 HB3 HIS 10 HB3 HIS 10 8.211 -1.552 -33.176 72 HD2 HIS 10 HD2 HIS 10 10.328 -4.324 -31.845 73 HE1 HIS 10 HE1 HIS 10 13.118 -1.245 -32.814 74 HE2 HIS 10 HE2 HIS 10 12.868 -3.698 -32.175 75 H GLY 11 H GLY 11 6.247 -2.660 -29.937 76 HA2 GLY 11 HA2 GLY 11 3.978 -2.555 -29.631 77 HA3 GLY 11 HA3 GLY 11 3.989 -0.873 -30.149 78 H SER 12 H SER 12 1.860 -2.395 -30.720 79 HA SER 12 HA SER 12 2.060 -3.123 -33.629 80 HB2 SER 12 HB2 SER 12 0.416 -4.539 -31.509 81 HB3 SER 12 HB3 SER 12 0.599 -4.997 -33.210 82 HG SER 12 HG SER 12 2.050 -6.244 -32.113 83 H GLY 58 H GLY 58 0.283 -1.076 -31.499 84 HA2 GLY 58 HA2 GLY 58 -1.588 0.223 -31.809 85 HA3 GLY 58 HA3 GLY 58 -1.354 -0.023 -33.537 86 H ALA 59 H ALA 59 -2.133 -2.600 -31.223 87 HA ALA 59 HA ALA 59 -4.556 -3.283 -32.807 88 HB1 ALA 59 HB1 ALA 59 -2.853 -4.966 -30.923 89 HB2 ALA 59 HB2 ALA 59 -4.116 -5.552 -32.032 90 HB3 ALA 59 HB3 ALA 59 -2.634 -4.848 -32.687 91 H LEU 60 H LEU 60 -6.011 -4.869 -31.314 92 HA LEU 60 HA LEU 60 -7.051 -3.326 -28.980 93 HB2 LEU 60 HB2 LEU 60 -8.189 -5.512 -30.757 94 HB3 LEU 60 HB3 LEU 60 -8.846 -5.207 -29.159 95 HG LEU 60 HG LEU 60 -9.379 -2.873 -29.770 96 HD11 LEU 60 HD11 LEU 60 -8.486 -3.699 -32.566 97 HD12 LEU 60 HD12 LEU 60 -9.449 -2.253 -32.191 98 HD13 LEU 60 HD13 LEU 60 -7.806 -2.389 -31.570 99 HD21 LEU 60 HD21 LEU 60 -11.038 -4.691 -29.987 100 HD22 LEU 60 HD22 LEU 60 -11.285 -3.447 -31.220 101 HD23 LEU 60 HD23 LEU 60 -10.507 -4.985 -31.657 102 H ALA 61 H ALA 61 -7.492 -4.431 -26.979 103 HA ALA 61 HA ALA 61 -5.884 -6.901 -26.455 104 HB1 ALA 61 HB1 ALA 61 -6.222 -4.471 -24.650 105 HB2 ALA 61 HB2 ALA 61 -5.401 -5.982 -24.211 106 HB3 ALA 61 HB3 ALA 61 -4.741 -4.956 -25.497 107 H ALA 62 H ALA 62 -6.808 -8.474 -25.222 108 HA ALA 62 HA ALA 62 -9.662 -8.193 -24.448 109 HB1 ALA 62 HB1 ALA 62 -7.850 -10.632 -24.563 110 HB2 ALA 62 HB2 ALA 62 -9.584 -10.630 -24.187 111 HB3 ALA 62 HB3 ALA 62 -9.029 -10.142 -25.800 112 H LEU 63 H LEU 63 -10.381 -8.372 -22.379 113 HA LEU 63 HA LEU 63 -8.384 -8.428 -20.156 114 HB2 LEU 63 HB2 LEU 63 -10.962 -6.836 -20.180 115 HB3 LEU 63 HB3 LEU 63 -9.701 -6.805 -18.957 116 HG LEU 63 HG LEU 63 -9.492 -5.694 -21.792 117 HD11 LEU 63 HD11 LEU 63 -9.627 -4.294 -19.093 118 HD12 LEU 63 HD12 LEU 63 -9.476 -3.514 -20.682 119 HD13 LEU 63 HD13 LEU 63 -10.951 -4.403 -20.275 120 HD21 LEU 63 HD21 LEU 63 -7.268 -6.392 -21.082 121 HD22 LEU 63 HD22 LEU 63 -7.390 -4.642 -21.033 122 HD23 LEU 63 HD23 LEU 63 -7.474 -5.567 -19.513 123 H HIS 64 H HIS 64 -9.117 -9.355 -18.170 124 HA HIS 64 HA HIS 64 -11.168 -11.458 -18.337 125 HB2 HIS 64 HB2 HIS 64 -9.662 -10.255 -16.009 126 HB3 HIS 64 HB3 HIS 64 -10.789 -11.592 -15.853 127 HD2 HIS 64 HD2 HIS 64 -7.186 -10.892 -16.377 128 HE1 HIS 64 HE1 HIS 64 -7.674 -15.005 -17.384 129 HE2 HIS 64 HE2 HIS 64 -5.972 -13.180 -16.868 130 H ALA 65 H ALA 65 -13.310 -11.317 -17.726 131 HA ALA 65 HA ALA 65 -14.379 -8.605 -17.323 132 HB1 ALA 65 HB1 ALA 65 -15.761 -11.273 -17.808 133 HB2 ALA 65 HB2 ALA 65 -16.508 -9.665 -17.890 134 HB3 ALA 65 HB3 ALA 65 -15.257 -10.114 -19.066 135 H ASP 66 H ASP 66 -13.868 -11.414 -15.290 136 HA ASP 66 HA ASP 66 -15.403 -10.232 -13.048 137 HB2 ASP 66 HB2 ASP 66 -16.974 -11.551 -14.500 138 HB3 ASP 66 HB3 ASP 66 -15.969 -12.976 -14.241 139 H GLY 67 H GLY 67 -15.242 -11.651 -11.056 140 HA2 GLY 67 HA2 GLY 67 -14.136 -12.958 -9.513 141 HA3 GLY 67 HA3 GLY 67 -13.317 -13.734 -10.853 142 HA PRO 68 HA PRO 68 -10.090 -11.861 -8.188 143 HB2 PRO 68 HB2 PRO 68 -7.887 -13.160 -9.305 144 HB3 PRO 68 HB3 PRO 68 -8.986 -13.870 -8.080 145 HG2 PRO 68 HG2 PRO 68 -9.037 -14.199 -11.090 146 HG3 PRO 68 HG3 PRO 68 -9.182 -15.466 -9.831 147 HD2 PRO 68 HD2 PRO 68 -11.358 -14.462 -11.060 148 HD3 PRO 68 HD3 PRO 68 -11.402 -14.812 -9.303 149 H HIS 69 H HIS 69 -9.967 -11.939 -11.706 150 HA HIS 69 HA HIS 69 -7.901 -9.781 -11.804 151 HB2 HIS 69 HB2 HIS 69 -8.513 -12.092 -13.642 152 HB3 HIS 69 HB3 HIS 69 -7.356 -10.822 -13.998 153 HD2 HIS 69 HD2 HIS 69 -6.230 -13.559 -13.985 154 HE1 HIS 69 HE1 HIS 69 -4.546 -12.792 -10.158 155 HE2 HIS 69 HE2 HIS 69 -4.460 -14.333 -12.181 156 H ALA 70 H ALA 70 -11.034 -9.499 -11.845 157 HA ALA 70 HA ALA 70 -11.898 -8.739 -14.373 158 HB1 ALA 70 HB1 ALA 70 -12.643 -7.482 -11.703 159 HB2 ALA 70 HB2 ALA 70 -13.594 -7.406 -13.204 160 HB3 ALA 70 HB3 ALA 70 -13.339 -8.963 -12.394 161 H GLY 71 H GLY 71 -11.325 -7.257 -15.798 162 HA2 GLY 71 HA2 GLY 71 -10.769 -5.170 -16.681 163 HA3 GLY 71 HA3 GLY 71 -10.367 -4.561 -15.079 164 H LEU 72 H LEU 72 -8.626 -7.393 -15.186 165 HA LEU 72 HA LEU 72 -6.156 -6.045 -16.044 166 HB2 LEU 72 HB2 LEU 72 -6.533 -8.915 -15.136 167 HB3 LEU 72 HB3 LEU 72 -5.022 -8.043 -15.303 168 HG LEU 72 HG LEU 72 -7.123 -7.503 -13.185 169 HD11 LEU 72 HD11 LEU 72 -4.281 -8.555 -12.920 170 HD12 LEU 72 HD12 LEU 72 -5.543 -8.500 -11.676 171 HD13 LEU 72 HD13 LEU 72 -5.671 -9.630 -13.041 172 HD21 LEU 72 HD21 LEU 72 -5.987 -5.407 -13.769 173 HD22 LEU 72 HD22 LEU 72 -5.415 -6.001 -12.204 174 HD23 LEU 72 HD23 LEU 72 -4.402 -6.209 -13.650 175 HA PRO 73 HA PRO 73 -6.034 -7.889 -20.171 176 HB2 PRO 73 HB2 PRO 73 -3.320 -8.244 -20.515 177 HB3 PRO 73 HB3 PRO 73 -4.144 -6.662 -20.658 178 HG2 PRO 73 HG2 PRO 73 -2.662 -7.832 -18.285 179 HG3 PRO 73 HG3 PRO 73 -2.551 -6.167 -18.943 180 HD2 PRO 73 HD2 PRO 73 -4.061 -6.712 -16.783 181 HD3 PRO 73 HD3 PRO 73 -4.607 -5.535 -18.002 182 H VAL 74 H VAL 74 -5.892 -9.952 -21.166 183 HA VAL 74 HA VAL 74 -5.648 -12.139 -19.229 184 HB VAL 74 HB VAL 74 -6.416 -12.403 -22.144 185 HG11 VAL 74 HG11 VAL 74 -6.841 -14.151 -19.690 186 HG12 VAL 74 HG12 VAL 74 -7.530 -14.460 -21.299 187 HG13 VAL 74 HG13 VAL 74 -5.781 -14.523 -21.068 188 HG21 VAL 74 HG21 VAL 74 -7.996 -10.862 -21.046 189 HG22 VAL 74 HG22 VAL 74 -8.756 -12.430 -21.302 190 HG23 VAL 74 HG23 VAL 74 -8.173 -11.986 -19.683 191 H THR 75 H THR 75 -3.979 -11.444 -22.397 192 HA THR 75 HA THR 75 -1.859 -13.374 -21.608 193 HB THR 75 HB THR 75 -1.308 -13.504 -23.889 194 HG1 THR 75 HG1 THR 75 -2.583 -12.185 -25.413 195 HG21 THR 75 HG21 THR 75 -4.342 -13.415 -23.874 196 HG22 THR 75 HG22 THR 75 -3.286 -14.332 -24.967 197 HG23 THR 75 HG23 THR 75 -3.364 -14.764 -23.252 198 H ARG 76 H ARG 76 0.398 -12.866 -22.387 199 HA ARG 76 HA ARG 76 1.481 -10.403 -21.429 200 HB2 ARG 76 HB2 ARG 76 2.703 -12.605 -21.908 201 HB3 ARG 76 HB3 ARG 76 2.631 -12.198 -23.623 202 HG2 ARG 76 HG2 ARG 76 3.800 -9.938 -22.827 203 HG3 ARG 76 HG3 ARG 76 4.207 -10.870 -21.388 204 HD2 ARG 76 HD2 ARG 76 4.889 -11.571 -24.279 205 HD3 ARG 76 HD3 ARG 76 5.998 -10.850 -23.101 206 HE ARG 76 HE ARG 76 5.067 -13.235 -21.933 207 HH11 ARG 76 HH11 ARG 76 6.987 -12.406 -24.759 208 HH12 ARG 76 HH12 ARG 76 7.812 -13.936 -24.759 209 HH21 ARG 76 HH21 ARG 76 6.118 -15.225 -22.068 210 HH22 ARG 76 HH22 ARG 76 7.350 -15.463 -23.265 211 H SER 77 H SER 77 0.394 -11.297 -24.720 212 HA SER 77 HA SER 77 1.120 -8.757 -25.905 213 HB2 SER 77 HB2 SER 77 -0.738 -10.976 -26.801 214 HB3 SER 77 HB3 SER 77 -0.398 -9.522 -27.768 215 HG SER 77 HG SER 77 1.025 -11.510 -28.038 216 H ASP 78 H ASP 78 -1.965 -9.898 -24.401 217 HA ASP 78 HA ASP 78 -3.402 -7.470 -24.950 218 HB2 ASP 78 HB2 ASP 78 -3.586 -9.335 -22.558 219 HB3 ASP 78 HB3 ASP 78 -4.717 -8.039 -22.921 220 H ALA 79 H ALA 79 -1.242 -8.340 -22.212 221 HA ALA 79 HA ALA 79 -1.415 -5.857 -20.806 222 HB1 ALA 79 HB1 ALA 79 0.833 -7.861 -20.905 223 HB2 ALA 79 HB2 ALA 79 0.526 -6.635 -19.641 224 HB3 ALA 79 HB3 ALA 79 -0.606 -7.981 -19.881 225 H ARG 80 H ARG 80 0.952 -6.911 -23.277 226 HA ARG 80 HA ARG 80 2.446 -4.486 -23.452 227 HB2 ARG 80 HB2 ARG 80 2.932 -6.807 -24.462 228 HB3 ARG 80 HB3 ARG 80 1.805 -6.394 -25.752 229 HG2 ARG 80 HG2 ARG 80 3.210 -4.457 -26.391 230 HG3 ARG 80 HG3 ARG 80 4.286 -4.775 -25.021 231 HD2 ARG 80 HD2 ARG 80 5.313 -5.596 -27.025 232 HD3 ARG 80 HD3 ARG 80 4.908 -6.964 -26.008 233 HE ARG 80 HE ARG 80 3.483 -6.082 -28.507 234 HH11 ARG 80 HH11 ARG 80 4.127 -8.764 -26.311 235 HH12 ARG 80 HH12 ARG 80 2.986 -9.800 -27.155 236 HH21 ARG 80 HH21 ARG 80 2.203 -7.571 -29.593 237 HH22 ARG 80 HH22 ARG 80 2.054 -9.189 -28.958 238 H VAL 81 H VAL 81 -0.561 -5.425 -25.172 239 HA VAL 81 HA VAL 81 -0.567 -2.987 -26.780 240 HB VAL 81 HB VAL 81 -2.602 -5.194 -26.365 241 HG11 VAL 81 HG11 VAL 81 -2.750 -2.764 -28.209 242 HG12 VAL 81 HG12 VAL 81 -3.777 -4.206 -28.333 243 HG13 VAL 81 HG13 VAL 81 -3.890 -3.173 -26.909 244 HG21 VAL 81 HG21 VAL 81 -0.521 -5.713 -27.702 245 HG22 VAL 81 HG22 VAL 81 -2.001 -5.784 -28.660 246 HG23 VAL 81 HG23 VAL 81 -0.921 -4.374 -28.788 247 H LEU 82 H LEU 82 -2.166 -3.973 -23.706 248 HA LEU 82 HA LEU 82 -3.638 -1.605 -23.362 249 HB2 LEU 82 HB2 LEU 82 -2.877 -3.891 -21.742 250 HB3 LEU 82 HB3 LEU 82 -2.513 -2.457 -20.814 251 HG LEU 82 HG LEU 82 -5.200 -3.135 -22.063 252 HD11 LEU 82 HD11 LEU 82 -4.214 -3.085 -19.170 253 HD12 LEU 82 HD12 LEU 82 -5.901 -3.330 -19.662 254 HD13 LEU 82 HD13 LEU 82 -4.671 -4.519 -20.120 255 HD21 LEU 82 HD21 LEU 82 -4.924 -0.697 -21.986 256 HD22 LEU 82 HD22 LEU 82 -6.029 -1.195 -20.705 257 HD23 LEU 82 HD23 LEU 82 -4.339 -0.788 -20.313 258 H ILE 83 H ILE 83 -0.256 -2.295 -22.299 259 HA ILE 83 HA ILE 83 0.300 0.325 -21.307 260 HB ILE 83 HB ILE 83 2.164 -1.747 -22.531 261 HG12 ILE 83 HG12 ILE 83 1.841 -0.907 -19.613 262 HG13 ILE 83 HG13 ILE 83 0.908 -2.221 -20.319 263 HG21 ILE 83 HG21 ILE 83 2.755 0.972 -21.271 264 HG22 ILE 83 HG22 ILE 83 3.968 -0.299 -21.314 265 HG23 ILE 83 HG23 ILE 83 3.331 0.335 -22.829 266 HD11 ILE 83 HD11 ILE 83 3.938 -2.158 -20.059 267 HD12 ILE 83 HD12 ILE 83 2.792 -3.174 -19.174 268 HD13 ILE 83 HD13 ILE 83 3.013 -3.414 -20.917 269 H PHE 84 H PHE 84 0.784 -1.008 -24.628 270 HA PHE 84 HA PHE 84 1.871 1.334 -25.725 271 HB2 PHE 84 HB2 PHE 84 1.820 -0.970 -26.731 272 HB3 PHE 84 HB3 PHE 84 0.137 -0.717 -27.154 273 HD1 PHE 84 HD2 PHE 84 3.548 0.811 -27.548 274 HD2 PHE 84 HD1 PHE 84 -0.430 0.439 -29.157 275 HE1 PHE 84 HE2 PHE 84 4.297 1.954 -29.602 276 HE2 PHE 84 HE1 PHE 84 0.320 1.614 -31.239 277 HZ PHE 84 HZ PHE 84 2.682 2.342 -31.471 278 H ASN 85 H ASN 85 -1.607 0.335 -25.898 279 HA ASN 85 HA ASN 85 -2.506 2.693 -27.206 280 HB2 ASN 85 HB2 ASN 85 -3.772 0.578 -27.075 281 HB3 ASN 85 HB3 ASN 85 -3.976 0.779 -25.335 282 HD21 ASN 85 HD22 ASN 85 -5.692 2.116 -24.595 283 HD22 ASN 85 HD21 ASN 85 -6.731 2.985 -25.709 284 H ASP 86 H ASP 86 -2.293 2.000 -23.659 285 HA ASP 86 HA ASP 86 -3.428 4.504 -22.816 286 HB2 ASP 86 HB2 ASP 86 -3.209 2.522 -21.363 287 HB3 ASP 86 HB3 ASP 86 -1.448 2.663 -21.426 288 H TRP 87 H TRP 87 -0.010 3.493 -23.367 289 HA TRP 87 HA TRP 87 1.229 5.982 -22.761 290 HB2 TRP 87 HB2 TRP 87 2.590 4.038 -22.953 291 HB3 TRP 87 HB3 TRP 87 1.960 3.660 -24.552 292 HD1 TRP 87 HD1 TRP 87 4.238 6.297 -22.894 293 HE1 TRP 87 HE1 TRP 87 5.995 7.030 -24.651 294 HE3 TRP 87 HE3 TRP 87 2.326 3.974 -27.057 295 HZ2 TRP 87 HZ2 TRP 87 6.513 6.640 -27.426 296 HZ3 TRP 87 HZ3 TRP 87 3.398 4.299 -29.266 297 HH2 TRP 87 HH2 TRP 87 5.513 5.580 -29.466 298 H GLU 88 H GLU 88 0.032 4.769 -26.011 299 HA GLU 88 HA GLU 88 0.783 7.045 -27.426 300 HB2 GLU 88 HB2 GLU 88 0.014 4.734 -28.179 301 HB3 GLU 88 HB3 GLU 88 -1.646 5.275 -27.970 302 HG2 GLU 88 HG2 GLU 88 0.452 6.655 -29.685 303 HG3 GLU 88 HG3 GLU 88 -0.563 5.342 -30.272 304 H GLU 89 H GLU 89 -2.434 6.407 -25.802 305 HA GLU 89 HA GLU 89 -3.599 8.896 -26.475 306 HB2 GLU 89 HB2 GLU 89 -4.733 6.867 -25.594 307 HB3 GLU 89 HB3 GLU 89 -3.999 7.132 -24.016 308 HG2 GLU 89 HG2 GLU 89 -5.378 9.541 -25.018 309 HG3 GLU 89 HG3 GLU 89 -6.423 8.131 -25.021 310 H ARG 90 H ARG 90 -1.759 7.982 -23.494 311 HA ARG 90 HA ARG 90 -1.816 10.633 -22.388 312 HB2 ARG 90 HB2 ARG 90 0.076 8.303 -21.884 313 HB3 ARG 90 HB3 ARG 90 0.067 9.803 -20.956 314 HG2 ARG 90 HG2 ARG 90 -2.313 7.906 -21.111 315 HG3 ARG 90 HG3 ARG 90 -1.111 7.963 -19.820 316 HD2 ARG 90 HD2 ARG 90 -1.748 10.426 -19.512 317 HD3 ARG 90 HD3 ARG 90 -3.126 10.119 -20.570 318 HE ARG 90 HE ARG 90 -2.695 9.163 -17.815 319 HH11 ARG 90 HH11 ARG 90 -4.775 8.811 -20.660 320 HH12 ARG 90 HH12 ARG 90 -5.990 7.979 -19.736 321 HH21 ARG 90 HH21 ARG 90 -4.327 8.127 -16.732 322 HH22 ARG 90 HH22 ARG 90 -5.759 7.628 -17.581 323 H LYS 91 H LYS 91 0.430 9.176 -24.734 324 HA LYS 91 HA LYS 91 2.295 11.373 -24.728 325 HB2 LYS 91 HB2 LYS 91 2.810 9.094 -25.596 326 HB3 LYS 91 HB3 LYS 91 1.707 9.384 -26.951 327 HG2 LYS 91 HG2 LYS 91 3.131 11.350 -27.620 328 HG3 LYS 91 HG3 LYS 91 4.230 10.967 -26.282 329 HD2 LYS 91 HD2 LYS 91 4.667 8.741 -27.317 330 HD3 LYS 91 HD3 LYS 91 3.559 9.150 -28.646 331 HE2 LYS 91 HE2 LYS 91 4.977 11.167 -29.157 332 HE3 LYS 91 HE3 LYS 91 6.117 10.663 -27.906 333 HZ1 LYS 91 HZ1 LYS 91 5.447 9.076 -30.346 334 HZ2 LYS 91 HZ2 LYS 91 6.817 9.931 -30.129 335 HZ3 LYS 91 HZ3 LYS 91 6.530 8.622 -29.201 336 H ARG 92 H ARG 92 -0.651 10.720 -26.644 337 HA ARG 92 HA ARG 92 -0.518 13.106 -28.268 338 HB2 ARG 92 HB2 ARG 92 -2.898 11.445 -27.342 339 HB3 ARG 92 HB3 ARG 92 -2.997 12.717 -28.549 340 HG2 ARG 92 HG2 ARG 92 -0.974 10.508 -28.973 341 HG3 ARG 92 HG3 ARG 92 -2.677 10.136 -29.198 342 HD2 ARG 92 HD2 ARG 92 -1.323 12.479 -30.586 343 HD3 ARG 92 HD3 ARG 92 -1.269 10.844 -31.240 344 HE ARG 92 HE ARG 92 -3.536 12.650 -31.285 345 HH11 ARG 92 HH11 ARG 92 -2.737 9.208 -31.273 346 HH12 ARG 92 HH12 ARG 92 -4.204 8.798 -32.127 347 HH21 ARG 92 HH21 ARG 92 -5.391 12.020 -32.338 348 HH22 ARG 92 HH22 ARG 92 -5.665 10.345 -32.708 349 H SER 93 H SER 93 -1.829 12.568 -24.973 350 HA SER 93 HA SER 93 -2.520 15.381 -24.628 351 HB2 SER 93 HB2 SER 93 -1.999 13.203 -22.579 352 HB3 SER 93 HB3 SER 93 -2.627 14.823 -22.222 353 HG SER 93 HG SER 93 -4.330 13.285 -22.492 354 H GLU 94 H GLU 94 0.423 13.517 -23.791 355 HA GLU 94 HA GLU 94 1.914 16.001 -23.048 356 HB2 GLU 94 HB2 GLU 94 1.693 13.391 -21.504 357 HB3 GLU 94 HB3 GLU 94 2.824 14.694 -21.161 358 HG2 GLU 94 HG2 GLU 94 0.886 16.251 -20.843 359 HG3 GLU 94 HG3 GLU 94 -0.213 14.880 -21.030 360 HA PRO 95 HA PRO 95 3.904 13.648 -26.299 361 HB2 PRO 95 HB2 PRO 95 5.673 15.497 -27.325 362 HB3 PRO 95 HB3 PRO 95 3.899 15.552 -27.553 363 HG2 PRO 95 HG2 PRO 95 5.548 17.002 -25.451 364 HG3 PRO 95 HG3 PRO 95 4.319 17.694 -26.563 365 HD2 PRO 95 HD2 PRO 95 3.663 17.015 -24.036 366 HD3 PRO 95 HD3 PRO 95 2.538 16.649 -25.380 367 H TRP 96 H TRP 96 5.659 14.484 -23.513 368 HA TRP 96 HA TRP 96 8.284 13.474 -24.319 369 HB2 TRP 96 HB2 TRP 96 8.810 13.957 -21.934 370 HB3 TRP 96 HB3 TRP 96 8.164 15.316 -22.829 371 HD1 TRP 96 HD1 TRP 96 6.828 12.602 -20.403 372 HE1 TRP 96 HE1 TRP 96 5.001 13.646 -18.919 373 HE3 TRP 96 HE3 TRP 96 6.540 17.225 -22.598 374 HZ2 TRP 96 HZ2 TRP 96 3.589 16.161 -18.728 375 HZ3 TRP 96 HZ3 TRP 96 4.892 18.899 -21.789 376 HH2 TRP 96 HH2 TRP 96 3.422 18.383 -19.852 377 H LEU 97 H LEU 97 5.511 11.784 -23.622 378 HA LEU 97 HA LEU 97 6.108 10.168 -21.501 379 HB2 LEU 97 HB2 LEU 97 3.982 10.500 -23.156 380 HB3 LEU 97 HB3 LEU 97 4.535 8.986 -23.785 381 HG LEU 97 HG LEU 97 3.081 8.156 -22.275 382 HD11 LEU 97 HD11 LEU 97 5.162 8.809 -20.133 383 HD12 LEU 97 HD12 LEU 97 3.914 7.554 -20.082 384 HD13 LEU 97 HD13 LEU 97 5.238 7.402 -21.227 385 HD21 LEU 97 HD21 LEU 97 2.230 10.355 -21.696 386 HD22 LEU 97 HD22 LEU 97 2.295 9.266 -20.295 387 HD23 LEU 97 HD23 LEU 97 3.516 10.555 -20.485 388 H ARG 98 H ARG 98 7.561 8.556 -21.068 389 HA ARG 98 HA ARG 98 8.989 7.183 -23.248 390 HB2 ARG 98 HB2 ARG 98 10.086 8.098 -21.112 391 HB3 ARG 98 HB3 ARG 98 9.347 6.730 -20.261 392 HG2 ARG 98 HG2 ARG 98 10.501 5.202 -21.950 393 HG3 ARG 98 HG3 ARG 98 11.317 6.635 -22.591 394 HD2 ARG 98 HD2 ARG 98 12.264 7.002 -20.264 395 HD3 ARG 98 HD3 ARG 98 11.580 5.436 -19.800 396 HE ARG 98 HE ARG 98 13.977 5.916 -21.348 397 HH11 ARG 98 HH11 ARG 98 11.451 3.477 -20.896 398 HH12 ARG 98 HH12 ARG 98 12.309 2.331 -21.880 399 HH21 ARG 98 HH21 ARG 98 15.044 4.262 -22.470 400 HH22 ARG 98 HH22 ARG 98 14.270 2.705 -22.616 401 H LEU 99 H LEU 99 8.934 5.023 -23.741 402 HA LEU 99 HA LEU 99 6.597 3.480 -22.725 403 HB2 LEU 99 HB2 LEU 99 6.559 4.210 -25.034 404 HB3 LEU 99 HB3 LEU 99 8.076 3.432 -25.380 405 HG LEU 99 HG LEU 99 5.858 2.377 -26.167 406 HD11 LEU 99 HD11 LEU 99 7.762 0.568 -24.616 407 HD12 LEU 99 HD12 LEU 99 6.785 0.161 -26.037 408 HD13 LEU 99 HD13 LEU 99 8.119 1.289 -26.197 409 HD21 LEU 99 HD21 LEU 99 4.691 2.558 -23.968 410 HD22 LEU 99 HD22 LEU 99 4.600 1.003 -24.792 411 HD23 LEU 99 HD23 LEU 99 5.684 1.186 -23.403 412 H ASP 100 H ASP 100 6.919 1.740 -21.540 413 HA ASP 100 HA ASP 100 9.446 0.138 -21.702 414 HB2 ASP 100 HB2 ASP 100 8.075 1.311 -19.248 415 HB3 ASP 100 HB3 ASP 100 9.182 -0.054 -19.169 416 H MET 101 H MET 101 8.449 -1.599 -22.823 417 HA MET 101 HA MET 101 6.617 -3.261 -21.216 418 HB2 MET 101 HB2 MET 101 4.892 -3.469 -22.878 419 HB3 MET 101 HB3 MET 101 5.091 -1.799 -22.395 420 HG2 MET 101 HG2 MET 101 6.383 -1.343 -24.452 421 HG3 MET 101 HG3 MET 101 6.130 -3.015 -24.962 422 HE1 MET 101 HE1 MET 101 5.231 -2.551 -27.163 423 HE2 MET 101 HE2 MET 101 3.766 -1.639 -27.541 424 HE3 MET 101 HE3 MET 101 5.236 -0.763 -27.087 425 H SER 102 H SER 102 9.227 -3.902 -21.667 426 HA SER 102 HA SER 102 9.452 -6.045 -23.641 427 HB2 SER 102 HB2 SER 102 11.355 -6.742 -22.243 428 HB3 SER 102 HB3 SER 102 11.422 -4.998 -22.555 429 HG SER 102 HG SER 102 11.723 -5.245 -20.370 430 H ASP 103 H ASP 103 9.560 -8.390 -22.871 431 HA ASP 103 HA ASP 103 7.225 -9.230 -21.435 432 HB2 ASP 103 HB2 ASP 103 8.177 -11.437 -21.531 433 HB3 ASP 103 HB3 ASP 103 8.436 -10.633 -23.069 434 H LYS 104 H LYS 104 10.518 -8.465 -20.345 435 HA LYS 104 HA LYS 104 10.182 -9.307 -17.581 436 HB2 LYS 104 HB2 LYS 104 12.159 -7.651 -19.129 437 HB3 LYS 104 HB3 LYS 104 11.979 -7.243 -17.432 438 HG2 LYS 104 HG2 LYS 104 13.766 -8.835 -17.636 439 HG3 LYS 104 HG3 LYS 104 12.426 -9.525 -16.731 440 HD2 LYS 104 HD2 LYS 104 13.289 -11.238 -18.137 441 HD3 LYS 104 HD3 LYS 104 11.720 -10.780 -18.802 442 HE2 LYS 104 HE2 LYS 104 12.915 -9.325 -20.485 443 HE3 LYS 104 HE3 LYS 104 14.461 -9.861 -19.812 444 HZ1 LYS 104 HZ1 LYS 104 12.410 -11.631 -21.052 445 HZ2 LYS 104 HZ2 LYS 104 13.806 -11.169 -21.771 446 HZ3 LYS 104 HZ3 LYS 104 13.861 -12.150 -20.460 447 H ALA 105 H ALA 105 9.757 -6.063 -19.121 448 HA ALA 105 HA ALA 105 8.836 -4.803 -16.734 449 HB1 ALA 105 HB1 ALA 105 8.162 -4.167 -19.639 450 HB2 ALA 105 HB2 ALA 105 8.018 -3.054 -18.262 451 HB3 ALA 105 HB3 ALA 105 9.618 -3.624 -18.778 452 H ILE 106 H ILE 106 6.991 -6.562 -19.256 453 HA ILE 106 HA ILE 106 4.360 -6.086 -18.143 454 HB ILE 106 HB ILE 106 5.404 -8.249 -19.983 455 HG12 ILE 106 HG12 ILE 106 3.639 -5.837 -20.626 456 HG13 ILE 106 HG13 ILE 106 5.388 -5.719 -20.684 457 HG21 ILE 106 HG21 ILE 106 2.534 -7.531 -19.191 458 HG22 ILE 106 HG22 ILE 106 2.963 -8.589 -20.544 459 HG23 ILE 106 HG23 ILE 106 3.355 -9.083 -18.895 460 HD11 ILE 106 HD11 ILE 106 3.685 -7.549 -22.396 461 HD12 ILE 106 HD12 ILE 106 4.614 -6.126 -22.897 462 HD13 ILE 106 HD13 ILE 106 5.464 -7.580 -22.350 463 H PHE 107 H PHE 107 6.565 -8.974 -17.668 464 HA PHE 107 HA PHE 107 4.766 -10.068 -15.702 465 HB2 PHE 107 HB2 PHE 107 7.711 -10.567 -16.247 466 HB3 PHE 107 HB3 PHE 107 6.755 -11.495 -15.101 467 HD1 PHE 107 HD1 PHE 107 4.242 -12.104 -16.365 468 HD2 PHE 107 HD2 PHE 107 8.191 -11.956 -18.088 469 HE1 PHE 107 HE1 PHE 107 3.559 -13.751 -18.093 470 HE2 PHE 107 HE2 PHE 107 7.518 -13.624 -19.787 471 HZ PHE 107 HZ PHE 107 5.184 -14.528 -19.789 472 H ARG 108 H ARG 108 7.405 -7.716 -15.327 473 HA ARG 108 HA ARG 108 7.372 -7.838 -12.405 474 HB2 ARG 108 HB2 ARG 108 8.539 -5.865 -14.406 475 HB3 ARG 108 HB3 ARG 108 8.700 -5.648 -12.678 476 HG2 ARG 108 HG2 ARG 108 9.693 -8.107 -14.190 477 HG3 ARG 108 HG3 ARG 108 10.693 -6.721 -13.777 478 HD2 ARG 108 HD2 ARG 108 9.303 -8.555 -11.775 479 HD3 ARG 108 HD3 ARG 108 10.993 -8.664 -12.276 480 HE ARG 108 HE ARG 108 10.644 -6.028 -11.371 481 HH11 ARG 108 HH11 ARG 108 10.552 -9.227 -9.936 482 HH12 ARG 108 HH12 ARG 108 11.045 -8.642 -8.371 483 HH21 ARG 108 HH21 ARG 108 11.255 -5.344 -9.338 484 HH22 ARG 108 HH22 ARG 108 11.435 -6.499 -8.052 485 H ARG 109 H ARG 109 5.783 -5.657 -14.747 486 HA ARG 109 HA ARG 109 4.497 -4.082 -12.633 487 HB2 ARG 109 HB2 ARG 109 5.176 -3.187 -14.853 488 HB3 ARG 109 HB3 ARG 109 3.946 -4.191 -15.632 489 HG2 ARG 109 HG2 ARG 109 2.153 -3.006 -14.489 490 HG3 ARG 109 HG3 ARG 109 3.303 -2.109 -13.488 491 HD2 ARG 109 HD2 ARG 109 3.142 -1.907 -16.525 492 HD3 ARG 109 HD3 ARG 109 2.324 -0.811 -15.394 493 HE ARG 109 HE ARG 109 5.077 -0.888 -14.689 494 HH11 ARG 109 HH11 ARG 109 3.086 0.439 -17.246 495 HH12 ARG 109 HH12 ARG 109 4.222 1.710 -17.600 496 HH21 ARG 109 HH21 ARG 109 6.488 0.747 -15.187 497 HH22 ARG 109 HH22 ARG 109 6.103 1.879 -16.445 498 H TYR 110 H TYR 110 3.515 -6.755 -14.717 499 HA TYR 110 HA TYR 110 0.957 -7.083 -13.200 500 HB2 TYR 110 HB2 TYR 110 1.514 -7.459 -16.165 501 HB3 TYR 110 HB3 TYR 110 0.075 -7.980 -15.323 502 HD1 TYR 110 HD1 TYR 110 -1.502 -6.333 -14.297 503 HD2 TYR 110 HD2 TYR 110 1.718 -5.196 -16.937 504 HE1 TYR 110 HE1 TYR 110 -2.719 -4.245 -14.870 505 HE2 TYR 110 HE2 TYR 110 0.514 -3.075 -17.481 506 HH TYR 110 HH TYR 110 -2.678 -2.264 -16.067 507 HA PRO 111 HA PRO 111 3.582 -10.892 -12.743 508 HB2 PRO 111 HB2 PRO 111 2.831 -11.584 -10.197 509 HB3 PRO 111 HB3 PRO 111 4.079 -10.354 -10.560 510 HG2 PRO 111 HG2 PRO 111 1.139 -9.900 -9.943 511 HG3 PRO 111 HG3 PRO 111 2.561 -9.085 -9.212 512 HD2 PRO 111 HD2 PRO 111 1.168 -7.948 -11.237 513 HD3 PRO 111 HD3 PRO 111 2.952 -7.816 -11.177 514 H HIS 112 H HIS 112 0.122 -10.380 -12.558 515 HA HIS 112 HA HIS 112 -0.701 -13.101 -12.246 516 HB2 HIS 112 HB2 HIS 112 -2.849 -12.320 -12.639 517 HB3 HIS 112 HB3 HIS 112 -2.048 -10.979 -11.834 518 HD2 HIS 112 HD2 HIS 112 -3.789 -12.002 -15.035 519 HE1 HIS 112 HE1 HIS 112 -2.307 -8.090 -15.828 520 HE2 HIS 112 HE2 HIS 112 -3.772 -9.989 -16.719 521 H LEU 113 H LEU 113 0.714 -11.608 -15.042 522 HA LEU 113 HA LEU 113 -0.562 -13.307 -17.024 523 HB2 LEU 113 HB2 LEU 113 2.035 -11.717 -17.123 524 HB3 LEU 113 HB3 LEU 113 1.427 -12.681 -18.451 525 HG LEU 113 HG LEU 113 0.881 -10.480 -19.009 526 HD11 LEU 113 HD11 LEU 113 -1.706 -11.491 -17.760 527 HD12 LEU 113 HD12 LEU 113 -1.523 -10.424 -19.160 528 HD13 LEU 113 HD13 LEU 113 -1.035 -12.128 -19.274 529 HD21 LEU 113 HD21 LEU 113 1.258 -9.422 -16.992 530 HD22 LEU 113 HD22 LEU 113 -0.313 -8.918 -17.639 531 HD23 LEU 113 HD23 LEU 113 -0.240 -10.064 -16.278 532 H ARG 114 H ARG 114 1.626 -14.076 -14.551 533 HA ARG 114 HA ARG 114 2.209 -16.709 -15.823 534 HB2 ARG 114 HB2 ARG 114 3.739 -15.088 -13.784 535 HB3 ARG 114 HB3 ARG 114 3.817 -16.843 -13.714 536 HG2 ARG 114 HG2 ARG 114 4.513 -15.250 -16.210 537 HG3 ARG 114 HG3 ARG 114 5.688 -15.769 -14.995 538 HD2 ARG 114 HD2 ARG 114 5.035 -18.136 -15.382 539 HD3 ARG 114 HD3 ARG 114 3.922 -17.614 -16.662 540 HE ARG 114 HE ARG 114 6.474 -16.563 -17.275 541 HH11 ARG 114 HH11 ARG 114 4.969 -19.727 -17.106 542 HH12 ARG 114 HH12 ARG 114 6.052 -20.411 -18.285 543 HH21 ARG 114 HH21 ARG 114 7.835 -17.506 -18.763 544 HH22 ARG 114 HH22 ARG 114 7.630 -19.175 -19.201 Start of MODEL 11 1 H1 MET 1 H1 MET 1 21.513 -4.056 -3.466 2 H2 MET 1 H2 MET 1 22.393 -3.055 -4.413 3 H3 MET 1 H3 MET 1 22.781 -3.233 -2.838 4 HA MET 1 HA MET 1 24.347 -4.440 -4.209 5 HB2 MET 1 HB2 MET 1 23.604 -5.278 -1.887 6 HB3 MET 1 HB3 MET 1 22.590 -6.447 -2.731 7 HG2 MET 1 HG2 MET 1 24.687 -7.310 -3.865 8 HG3 MET 1 HG3 MET 1 25.618 -6.150 -2.922 9 HE1 MET 1 HE1 MET 1 23.802 -9.574 -3.052 10 HE2 MET 1 HE2 MET 1 23.610 -10.018 -1.343 11 HE3 MET 1 HE3 MET 1 22.624 -8.714 -2.030 12 H ARG 2 H ARG 2 24.775 -5.890 -5.927 13 HA ARG 2 HA ARG 2 24.439 -6.782 -8.002 14 HB2 ARG 2 HB2 ARG 2 22.239 -8.252 -6.506 15 HB3 ARG 2 HB3 ARG 2 22.848 -8.704 -8.102 16 HG2 ARG 2 HG2 ARG 2 25.095 -9.082 -7.215 17 HG3 ARG 2 HG3 ARG 2 24.567 -8.589 -5.598 18 HD2 ARG 2 HD2 ARG 2 22.909 -10.436 -5.579 19 HD3 ARG 2 HD3 ARG 2 23.500 -10.963 -7.170 20 HE ARG 2 HE ARG 2 25.755 -10.826 -5.487 21 HH11 ARG 2 HH11 ARG 2 22.838 -12.768 -5.621 22 HH12 ARG 2 HH12 ARG 2 23.590 -14.120 -4.818 23 HH21 ARG 2 HH21 ARG 2 26.651 -12.583 -4.462 24 HH22 ARG 2 HH22 ARG 2 25.699 -14.011 -4.185 25 H GLY 3 H GLY 3 23.466 -4.272 -7.971 26 HA2 GLY 3 HA2 GLY 3 20.794 -3.973 -9.008 27 HA3 GLY 3 HA3 GLY 3 22.076 -2.767 -9.071 28 H SER 4 H SER 4 20.041 -3.629 -11.077 29 HA SER 4 HA SER 4 21.765 -3.650 -13.440 30 HB2 SER 4 HB2 SER 4 21.458 -6.089 -12.824 31 HB3 SER 4 HB3 SER 4 19.717 -5.876 -13.093 32 HG SER 4 HG SER 4 20.872 -6.667 -14.964 33 H HIS 5 H HIS 5 20.524 -3.265 -15.423 34 HA HIS 5 HA HIS 5 17.739 -2.343 -15.192 35 HB2 HIS 5 HB2 HIS 5 18.189 -0.108 -16.031 36 HB3 HIS 5 HB3 HIS 5 19.034 -0.357 -14.512 37 HD2 HIS 5 HD2 HIS 5 19.649 0.279 -18.244 38 HE1 HIS 5 HE1 HIS 5 23.486 0.390 -16.380 39 HE2 HIS 5 HE2 HIS 5 22.212 0.824 -18.542 40 H HIS 6 H HIS 6 16.718 -1.920 -17.216 41 HA HIS 6 HA HIS 6 18.101 -2.597 -19.721 42 HB2 HIS 6 HB2 HIS 6 16.508 -4.340 -20.340 43 HB3 HIS 6 HB3 HIS 6 17.379 -4.798 -18.886 44 HD2 HIS 6 HD2 HIS 6 13.862 -3.848 -20.130 45 HE1 HIS 6 HE1 HIS 6 13.392 -5.130 -16.087 46 HE2 HIS 6 HE2 HIS 6 12.159 -4.427 -18.205 47 H HIS 7 H HIS 7 16.981 -1.976 -21.599 48 HA HIS 7 HA HIS 7 14.451 -0.427 -21.339 49 HB2 HIS 7 HB2 HIS 7 17.007 0.634 -22.609 50 HB3 HIS 7 HB3 HIS 7 15.422 1.394 -22.702 51 HD2 HIS 7 HD2 HIS 7 14.371 2.327 -20.304 52 HE1 HIS 7 HE1 HIS 7 18.153 2.664 -18.353 53 HE2 HIS 7 HE2 HIS 7 15.695 3.325 -18.250 54 H HIS 8 H HIS 8 13.139 -1.581 -22.653 55 HA HIS 8 HA HIS 8 13.797 -1.970 -25.472 56 HB2 HIS 8 HB2 HIS 8 14.906 -3.937 -24.444 57 HB3 HIS 8 HB3 HIS 8 13.391 -4.389 -23.667 58 HD2 HIS 8 HD2 HIS 8 12.544 -6.501 -24.914 59 HE1 HIS 8 HE1 HIS 8 13.134 -5.262 -28.955 60 HE2 HIS 8 HE2 HIS 8 12.225 -7.112 -27.459 61 H HIS 9 H HIS 9 12.000 -2.546 -26.757 62 HA HIS 9 HA HIS 9 9.397 -3.052 -25.596 63 HB2 HIS 9 HB2 HIS 9 8.287 -1.036 -26.422 64 HB3 HIS 9 HB3 HIS 9 9.522 -0.612 -25.250 65 HD2 HIS 9 HD2 HIS 9 8.453 0.024 -28.825 66 HE1 HIS 9 HE1 HIS 9 12.177 2.056 -28.378 67 HE2 HIS 9 HE2 HIS 9 10.152 1.735 -29.887 68 H HIS 10 H HIS 10 7.784 -3.576 -27.063 69 HA HIS 10 HA HIS 10 8.067 -3.237 -29.934 70 HB2 HIS 10 HB2 HIS 10 9.268 -5.390 -29.614 71 HB3 HIS 10 HB3 HIS 10 7.887 -6.044 -28.734 72 HD2 HIS 10 HD2 HIS 10 8.899 -4.883 -32.306 73 HE1 HIS 10 HE1 HIS 10 5.411 -7.305 -32.727 74 HE2 HIS 10 HE2 HIS 10 7.219 -6.027 -33.986 75 H GLY 11 H GLY 11 5.965 -3.304 -30.938 76 HA2 GLY 11 HA2 GLY 11 3.614 -4.326 -29.694 77 HA3 GLY 11 HA3 GLY 11 3.715 -2.596 -29.364 78 H SER 12 H SER 12 1.630 -3.753 -30.808 79 HA SER 12 HA SER 12 2.001 -2.738 -33.597 80 HB2 SER 12 HB2 SER 12 0.791 -4.744 -34.374 81 HB3 SER 12 HB3 SER 12 2.309 -5.138 -33.556 82 HG SER 12 HG SER 12 0.559 -6.479 -32.851 83 H GLY 58 H GLY 58 0.309 -1.880 -30.993 84 HA2 GLY 58 HA2 GLY 58 -1.674 -0.685 -30.713 85 HA3 GLY 58 HA3 GLY 58 -1.877 -0.699 -32.459 86 H ALA 59 H ALA 59 -4.000 -1.232 -32.607 87 HA ALA 59 HA ALA 59 -5.958 -2.331 -32.541 88 HB1 ALA 59 HB1 ALA 59 -4.320 -4.862 -32.179 89 HB2 ALA 59 HB2 ALA 59 -5.938 -4.710 -32.896 90 HB3 ALA 59 HB3 ALA 59 -4.543 -4.006 -33.721 91 H LEU 60 H LEU 60 -6.982 -4.525 -31.144 92 HA LEU 60 HA LEU 60 -7.543 -3.169 -28.597 93 HB2 LEU 60 HB2 LEU 60 -9.343 -3.801 -30.159 94 HB3 LEU 60 HB3 LEU 60 -8.858 -5.491 -30.054 95 HG LEU 60 HG LEU 60 -9.493 -5.514 -27.637 96 HD11 LEU 60 HD11 LEU 60 -10.586 -2.723 -28.225 97 HD12 LEU 60 HD12 LEU 60 -10.905 -3.675 -26.759 98 HD13 LEU 60 HD13 LEU 60 -9.273 -3.100 -27.091 99 HD21 LEU 60 HD21 LEU 60 -11.068 -6.246 -29.379 100 HD22 LEU 60 HD22 LEU 60 -11.916 -5.486 -28.025 101 HD23 LEU 60 HD23 LEU 60 -11.678 -4.584 -29.539 102 H ALA 61 H ALA 61 -7.202 -3.979 -26.556 103 HA ALA 61 HA ALA 61 -5.913 -6.651 -26.209 104 HB1 ALA 61 HB1 ALA 61 -6.237 -4.309 -24.288 105 HB2 ALA 61 HB2 ALA 61 -5.465 -5.857 -23.908 106 HB3 ALA 61 HB3 ALA 61 -4.741 -4.792 -25.120 107 H ALA 62 H ALA 62 -6.972 -8.300 -25.197 108 HA ALA 62 HA ALA 62 -9.804 -7.948 -24.409 109 HB1 ALA 62 HB1 ALA 62 -8.072 -10.440 -24.610 110 HB2 ALA 62 HB2 ALA 62 -9.813 -10.398 -24.264 111 HB3 ALA 62 HB3 ALA 62 -9.213 -9.853 -25.840 112 H LEU 63 H LEU 63 -10.579 -8.316 -22.344 113 HA LEU 63 HA LEU 63 -8.591 -8.409 -20.109 114 HB2 LEU 63 HB2 LEU 63 -11.207 -6.878 -20.109 115 HB3 LEU 63 HB3 LEU 63 -9.979 -6.882 -18.852 116 HG LEU 63 HG LEU 63 -9.710 -5.640 -21.627 117 HD11 LEU 63 HD11 LEU 63 -9.955 -4.369 -18.873 118 HD12 LEU 63 HD12 LEU 63 -9.786 -3.516 -20.422 119 HD13 LEU 63 HD13 LEU 63 -11.247 -4.458 -20.092 120 HD21 LEU 63 HD21 LEU 63 -7.497 -6.304 -20.915 121 HD22 LEU 63 HD22 LEU 63 -7.673 -4.566 -20.709 122 HD23 LEU 63 HD23 LEU 63 -7.767 -5.625 -19.285 123 H HIS 64 H HIS 64 -9.295 -9.395 -18.157 124 HA HIS 64 HA HIS 64 -11.339 -11.508 -18.343 125 HB2 HIS 64 HB2 HIS 64 -9.786 -10.351 -16.019 126 HB3 HIS 64 HB3 HIS 64 -10.916 -11.684 -15.868 127 HD2 HIS 64 HD2 HIS 64 -7.318 -11.009 -16.416 128 HE1 HIS 64 HE1 HIS 64 -7.868 -15.091 -17.526 129 HE2 HIS 64 HE2 HIS 64 -6.136 -13.304 -16.975 130 H ALA 65 H ALA 65 -13.477 -11.365 -17.679 131 HA ALA 65 HA ALA 65 -14.512 -8.656 -17.154 132 HB1 ALA 65 HB1 ALA 65 -15.921 -11.285 -17.748 133 HB2 ALA 65 HB2 ALA 65 -16.658 -9.671 -17.733 134 HB3 ALA 65 HB3 ALA 65 -15.430 -10.064 -18.952 135 H ASP 66 H ASP 66 -14.025 -11.581 -15.280 136 HA ASP 66 HA ASP 66 -15.516 -10.487 -12.944 137 HB2 ASP 66 HB2 ASP 66 -16.013 -13.133 -14.367 138 HB3 ASP 66 HB3 ASP 66 -16.533 -12.831 -12.716 139 H GLY 67 H GLY 67 -15.234 -11.888 -10.981 140 HA2 GLY 67 HA2 GLY 67 -14.066 -13.211 -9.499 141 HA3 GLY 67 HA3 GLY 67 -13.233 -13.910 -10.873 142 HA PRO 68 HA PRO 68 -10.081 -11.928 -8.160 143 HB2 PRO 68 HB2 PRO 68 -7.845 -13.201 -9.262 144 HB3 PRO 68 HB3 PRO 68 -8.914 -13.897 -8.002 145 HG2 PRO 68 HG2 PRO 68 -8.978 -14.327 -10.997 146 HG3 PRO 68 HG3 PRO 68 -9.091 -15.555 -9.696 147 HD2 PRO 68 HD2 PRO 68 -11.287 -14.644 -10.950 148 HD3 PRO 68 HD3 PRO 68 -11.323 -14.927 -9.181 149 H HIS 69 H HIS 69 -9.955 -12.085 -11.672 150 HA HIS 69 HA HIS 69 -7.933 -9.893 -11.826 151 HB2 HIS 69 HB2 HIS 69 -8.542 -12.230 -13.632 152 HB3 HIS 69 HB3 HIS 69 -7.414 -10.946 -14.024 153 HD2 HIS 69 HD2 HIS 69 -6.271 -13.702 -13.965 154 HE1 HIS 69 HE1 HIS 69 -4.450 -12.756 -10.242 155 HE2 HIS 69 HE2 HIS 69 -4.422 -14.377 -12.202 156 H ALA 70 H ALA 70 -11.076 -9.662 -11.813 157 HA ALA 70 HA ALA 70 -11.980 -8.866 -14.321 158 HB1 ALA 70 HB1 ALA 70 -12.698 -7.671 -11.615 159 HB2 ALA 70 HB2 ALA 70 -13.666 -7.556 -13.103 160 HB3 ALA 70 HB3 ALA 70 -13.403 -9.134 -12.336 161 H GLY 71 H GLY 71 -11.437 -7.343 -15.723 162 HA2 GLY 71 HA2 GLY 71 -10.887 -5.239 -16.565 163 HA3 GLY 71 HA3 GLY 71 -10.477 -4.665 -14.952 164 H LEU 72 H LEU 72 -8.731 -7.493 -15.151 165 HA LEU 72 HA LEU 72 -6.264 -6.132 -16.010 166 HB2 LEU 72 HB2 LEU 72 -6.666 -9.017 -15.153 167 HB3 LEU 72 HB3 LEU 72 -5.143 -8.183 -15.352 168 HG LEU 72 HG LEU 72 -7.173 -7.652 -13.164 169 HD11 LEU 72 HD11 LEU 72 -4.313 -8.668 -12.987 170 HD12 LEU 72 HD12 LEU 72 -5.548 -8.654 -11.717 171 HD13 LEU 72 HD13 LEU 72 -5.687 -9.761 -13.099 172 HD21 LEU 72 HD21 LEU 72 -6.082 -5.535 -13.738 173 HD22 LEU 72 HD22 LEU 72 -5.442 -6.154 -12.211 174 HD23 LEU 72 HD23 LEU 72 -4.483 -6.319 -13.698 175 HA PRO 73 HA PRO 73 -6.234 -7.852 -20.179 176 HB2 PRO 73 HB2 PRO 73 -3.538 -8.220 -20.602 177 HB3 PRO 73 HB3 PRO 73 -4.337 -6.619 -20.644 178 HG2 PRO 73 HG2 PRO 73 -2.842 -7.948 -18.368 179 HG3 PRO 73 HG3 PRO 73 -2.676 -6.265 -18.960 180 HD2 PRO 73 HD2 PRO 73 -4.178 -6.832 -16.792 181 HD3 PRO 73 HD3 PRO 73 -4.714 -5.601 -17.956 182 H VAL 74 H VAL 74 -6.221 -9.905 -21.188 183 HA VAL 74 HA VAL 74 -5.996 -12.117 -19.294 184 HB VAL 74 HB VAL 74 -6.705 -12.321 -22.236 185 HG11 VAL 74 HG11 VAL 74 -7.147 -14.154 -19.845 186 HG12 VAL 74 HG12 VAL 74 -7.817 -14.413 -21.468 187 HG13 VAL 74 HG13 VAL 74 -6.073 -14.472 -21.223 188 HG21 VAL 74 HG21 VAL 74 -8.300 -10.827 -21.110 189 HG22 VAL 74 HG22 VAL 74 -9.058 -12.388 -21.438 190 HG23 VAL 74 HG23 VAL 74 -8.498 -12.004 -19.791 191 H THR 75 H THR 75 -4.292 -11.438 -22.438 192 HA THR 75 HA THR 75 -2.226 -13.422 -21.648 193 HB THR 75 HB THR 75 -1.705 -13.590 -23.934 194 HG1 THR 75 HG1 THR 75 -3.016 -12.199 -25.421 195 HG21 THR 75 HG21 THR 75 -4.731 -13.356 -23.905 196 HG22 THR 75 HG22 THR 75 -3.724 -14.333 -24.992 197 HG23 THR 75 HG23 THR 75 -3.820 -14.746 -23.272 198 H ARG 76 H ARG 76 0.027 -12.994 -22.460 199 HA ARG 76 HA ARG 76 1.167 -10.496 -21.542 200 HB2 ARG 76 HB2 ARG 76 2.220 -12.663 -23.425 201 HB3 ARG 76 HB3 ARG 76 3.200 -11.310 -22.835 202 HG2 ARG 76 HG2 ARG 76 2.961 -12.008 -20.531 203 HG3 ARG 76 HG3 ARG 76 1.821 -13.294 -20.966 204 HD2 ARG 76 HD2 ARG 76 4.737 -13.161 -21.861 205 HD3 ARG 76 HD3 ARG 76 4.114 -14.119 -20.518 206 HE ARG 76 HE ARG 76 2.800 -15.472 -22.032 207 HH11 ARG 76 HH11 ARG 76 5.322 -13.643 -23.660 208 HH12 ARG 76 HH12 ARG 76 5.321 -14.714 -25.031 209 HH21 ARG 76 HH21 ARG 76 2.858 -16.771 -23.803 210 HH22 ARG 76 HH22 ARG 76 3.964 -16.441 -25.102 211 H SER 77 H SER 77 -0.020 -11.501 -24.731 212 HA SER 77 HA SER 77 0.855 -9.137 -26.151 213 HB2 SER 77 HB2 SER 77 0.165 -11.289 -27.213 214 HB3 SER 77 HB3 SER 77 -1.517 -10.929 -26.773 215 HG SER 77 HG SER 77 -0.955 -10.233 -28.925 216 H ASP 78 H ASP 78 -2.261 -9.947 -24.460 217 HA ASP 78 HA ASP 78 -3.501 -7.418 -24.944 218 HB2 ASP 78 HB2 ASP 78 -3.786 -9.286 -22.566 219 HB3 ASP 78 HB3 ASP 78 -4.849 -7.932 -22.925 220 H ALA 79 H ALA 79 -1.343 -8.435 -22.250 221 HA ALA 79 HA ALA 79 -1.349 -5.938 -20.846 222 HB1 ALA 79 HB1 ALA 79 0.796 -8.060 -20.965 223 HB2 ALA 79 HB2 ALA 79 0.536 -6.835 -19.688 224 HB3 ALA 79 HB3 ALA 79 -0.653 -8.124 -19.945 225 H ARG 80 H ARG 80 0.890 -7.115 -23.393 226 HA ARG 80 HA ARG 80 2.520 -4.781 -23.657 227 HB2 ARG 80 HB2 ARG 80 2.984 -6.994 -24.645 228 HB3 ARG 80 HB3 ARG 80 1.587 -6.859 -25.700 229 HG2 ARG 80 HG2 ARG 80 2.604 -4.947 -26.885 230 HG3 ARG 80 HG3 ARG 80 4.001 -5.020 -25.811 231 HD2 ARG 80 HD2 ARG 80 3.059 -7.241 -27.691 232 HD3 ARG 80 HD3 ARG 80 4.372 -6.141 -28.051 233 HE ARG 80 HE ARG 80 4.528 -8.541 -26.512 234 HH11 ARG 80 HH11 ARG 80 5.985 -5.366 -26.600 235 HH12 ARG 80 HH12 ARG 80 7.239 -5.804 -25.446 236 HH21 ARG 80 HH21 ARG 80 6.320 -9.139 -25.362 237 HH22 ARG 80 HH22 ARG 80 7.568 -7.987 -25.027 238 H VAL 81 H VAL 81 -0.614 -5.559 -25.220 239 HA VAL 81 HA VAL 81 -0.626 -3.138 -26.834 240 HB VAL 81 HB VAL 81 -2.717 -5.246 -26.212 241 HG11 VAL 81 HG11 VAL 81 -2.960 -2.839 -28.065 242 HG12 VAL 81 HG12 VAL 81 -4.051 -4.236 -28.063 243 HG13 VAL 81 HG13 VAL 81 -3.972 -3.181 -26.651 244 HG21 VAL 81 HG21 VAL 81 -0.810 -5.888 -27.713 245 HG22 VAL 81 HG22 VAL 81 -2.353 -5.853 -28.570 246 HG23 VAL 81 HG23 VAL 81 -1.198 -4.519 -28.763 247 H LEU 82 H LEU 82 -2.010 -4.017 -23.661 248 HA LEU 82 HA LEU 82 -3.379 -1.499 -23.272 249 HB2 LEU 82 HB2 LEU 82 -2.195 -3.502 -21.303 250 HB3 LEU 82 HB3 LEU 82 -2.934 -1.997 -20.788 251 HG LEU 82 HG LEU 82 -4.354 -4.313 -22.133 252 HD11 LEU 82 HD11 LEU 82 -4.771 -2.902 -19.465 253 HD12 LEU 82 HD12 LEU 82 -5.495 -4.427 -20.004 254 HD13 LEU 82 HD13 LEU 82 -3.759 -4.335 -19.664 255 HD21 LEU 82 HD21 LEU 82 -5.368 -2.276 -23.046 256 HD22 LEU 82 HD22 LEU 82 -6.426 -2.930 -21.800 257 HD23 LEU 82 HD23 LEU 82 -5.394 -1.532 -21.428 258 H ILE 83 H ILE 83 -0.022 -2.472 -22.307 259 HA ILE 83 HA ILE 83 0.723 0.069 -21.255 260 HB ILE 83 HB ILE 83 2.384 -2.065 -22.657 261 HG12 ILE 83 HG12 ILE 83 2.271 -1.262 -19.712 262 HG13 ILE 83 HG13 ILE 83 1.263 -2.526 -20.397 263 HG21 ILE 83 HG21 ILE 83 3.300 0.538 -21.344 264 HG22 ILE 83 HG22 ILE 83 4.391 -0.825 -21.625 265 HG23 ILE 83 HG23 ILE 83 3.645 -0.019 -22.994 266 HD11 ILE 83 HD11 ILE 83 4.299 -2.577 -20.236 267 HD12 ILE 83 HD12 ILE 83 3.140 -3.581 -19.355 268 HD13 ILE 83 HD13 ILE 83 3.312 -3.771 -21.110 269 H PHE 84 H PHE 84 0.982 -1.136 -24.636 270 HA PHE 84 HA PHE 84 2.093 1.255 -25.660 271 HB2 PHE 84 HB2 PHE 84 2.086 -0.990 -26.762 272 HB3 PHE 84 HB3 PHE 84 0.380 -0.789 -27.116 273 HD1 PHE 84 HD2 PHE 84 3.635 1.102 -27.498 274 HD2 PHE 84 HD1 PHE 84 -0.243 0.216 -29.144 275 HE1 PHE 84 HE2 PHE 84 4.222 2.390 -29.507 276 HE2 PHE 84 HE1 PHE 84 0.355 1.491 -31.206 277 HZ PHE 84 HZ PHE 84 2.587 2.571 -31.395 278 H ASN 85 H ASN 85 -1.383 0.227 -25.879 279 HA ASN 85 HA ASN 85 -2.277 2.619 -27.103 280 HB2 ASN 85 HB2 ASN 85 -3.751 0.614 -25.335 281 HB3 ASN 85 HB3 ASN 85 -4.539 1.889 -26.259 282 HD21 ASN 85 HD22 ASN 85 -5.566 -0.394 -26.853 283 HD22 ASN 85 HD21 ASN 85 -4.899 -1.093 -28.328 284 H ASP 86 H ASP 86 -2.088 1.829 -23.582 285 HA ASP 86 HA ASP 86 -3.327 4.254 -22.669 286 HB2 ASP 86 HB2 ASP 86 -3.046 2.223 -21.278 287 HB3 ASP 86 HB3 ASP 86 -1.294 2.461 -21.294 288 H TRP 87 H TRP 87 0.156 3.369 -23.166 289 HA TRP 87 HA TRP 87 1.227 5.945 -22.541 290 HB2 TRP 87 HB2 TRP 87 2.774 4.156 -22.765 291 HB3 TRP 87 HB3 TRP 87 2.160 3.717 -24.358 292 HD1 TRP 87 HD1 TRP 87 4.296 6.480 -22.699 293 HE1 TRP 87 HE1 TRP 87 5.818 7.509 -24.510 294 HE3 TRP 87 HE3 TRP 87 2.283 4.273 -26.895 295 HZ2 TRP 87 HZ2 TRP 87 6.234 7.260 -27.323 296 HZ3 TRP 87 HZ3 TRP 87 3.229 4.756 -29.127 297 HH2 TRP 87 HH2 TRP 87 5.222 6.221 -29.362 298 H GLU 88 H GLU 88 0.067 4.667 -25.777 299 HA GLU 88 HA GLU 88 0.773 6.979 -27.155 300 HB2 GLU 88 HB2 GLU 88 -0.145 4.586 -27.947 301 HB3 GLU 88 HB3 GLU 88 -1.688 5.453 -27.993 302 HG2 GLU 88 HG2 GLU 88 -0.244 7.276 -29.251 303 HG3 GLU 88 HG3 GLU 88 0.888 5.957 -29.499 304 H GLU 89 H GLU 89 -2.413 6.294 -25.545 305 HA GLU 89 HA GLU 89 -3.646 8.763 -26.273 306 HB2 GLU 89 HB2 GLU 89 -4.611 6.604 -25.286 307 HB3 GLU 89 HB3 GLU 89 -4.076 7.169 -23.711 308 HG2 GLU 89 HG2 GLU 89 -5.964 8.640 -25.608 309 HG3 GLU 89 HG3 GLU 89 -6.467 7.572 -24.303 310 H ARG 90 H ARG 90 -1.760 7.874 -23.315 311 HA ARG 90 HA ARG 90 -1.791 10.540 -22.206 312 HB2 ARG 90 HB2 ARG 90 0.088 8.181 -21.763 313 HB3 ARG 90 HB3 ARG 90 0.155 9.682 -20.851 314 HG2 ARG 90 HG2 ARG 90 -2.245 7.815 -20.898 315 HG3 ARG 90 HG3 ARG 90 -1.027 7.892 -19.630 316 HD2 ARG 90 HD2 ARG 90 -2.987 10.088 -20.409 317 HD3 ARG 90 HD3 ARG 90 -3.046 9.077 -18.971 318 HE ARG 90 HE ARG 90 -0.531 10.375 -18.893 319 HH11 ARG 90 HH11 ARG 90 -3.890 11.281 -18.583 320 HH12 ARG 90 HH12 ARG 90 -3.506 12.714 -17.670 321 HH21 ARG 90 HH21 ARG 90 -0.112 12.436 -18.036 322 HH22 ARG 90 HH22 ARG 90 -1.426 13.216 -17.218 323 H LYS 91 H LYS 91 0.324 9.096 -24.622 324 HA LYS 91 HA LYS 91 2.253 11.260 -24.603 325 HB2 LYS 91 HB2 LYS 91 2.825 8.948 -25.136 326 HB3 LYS 91 HB3 LYS 91 1.799 8.975 -26.560 327 HG2 LYS 91 HG2 LYS 91 3.906 11.113 -26.400 328 HG3 LYS 91 HG3 LYS 91 4.492 9.456 -26.528 329 HD2 LYS 91 HD2 LYS 91 3.233 9.058 -28.567 330 HD3 LYS 91 HD3 LYS 91 2.458 10.650 -28.459 331 HE2 LYS 91 HE2 LYS 91 4.703 11.740 -28.633 332 HE3 LYS 91 HE3 LYS 91 5.465 10.149 -28.741 333 HZ1 LYS 91 HZ1 LYS 91 3.532 11.251 -30.732 334 HZ2 LYS 91 HZ2 LYS 91 5.143 11.121 -30.948 335 HZ3 LYS 91 HZ3 LYS 91 4.235 9.772 -30.829 336 H ARG 92 H ARG 92 -0.630 10.543 -26.556 337 HA ARG 92 HA ARG 92 -0.460 12.901 -28.260 338 HB2 ARG 92 HB2 ARG 92 -2.794 11.205 -27.278 339 HB3 ARG 92 HB3 ARG 92 -2.988 12.565 -28.385 340 HG2 ARG 92 HG2 ARG 92 -1.652 11.511 -30.093 341 HG3 ARG 92 HG3 ARG 92 -1.145 10.217 -29.004 342 HD2 ARG 92 HD2 ARG 92 -3.518 9.486 -28.780 343 HD3 ARG 92 HD3 ARG 92 -4.008 10.718 -29.942 344 HE ARG 92 HE ARG 92 -2.591 8.167 -30.462 345 HH11 ARG 92 HH11 ARG 92 -3.510 11.207 -32.005 346 HH12 ARG 92 HH12 ARG 92 -3.321 10.510 -33.590 347 HH21 ARG 92 HH21 ARG 92 -2.395 7.412 -32.334 348 HH22 ARG 92 HH22 ARG 92 -2.685 8.350 -33.806 349 H SER 93 H SER 93 -1.790 12.360 -24.979 350 HA SER 93 HA SER 93 -2.589 15.119 -24.616 351 HB2 SER 93 HB2 SER 93 -3.453 13.156 -23.333 352 HB3 SER 93 HB3 SER 93 -1.903 13.086 -22.470 353 HG SER 93 HG SER 93 -3.581 14.340 -21.388 354 H GLU 94 H GLU 94 0.398 13.379 -23.655 355 HA GLU 94 HA GLU 94 1.793 15.944 -23.023 356 HB2 GLU 94 HB2 GLU 94 1.825 13.307 -21.506 357 HB3 GLU 94 HB3 GLU 94 2.849 14.699 -21.179 358 HG2 GLU 94 HG2 GLU 94 0.820 16.074 -20.738 359 HG3 GLU 94 HG3 GLU 94 -0.188 14.642 -20.967 360 HA PRO 95 HA PRO 95 3.976 13.817 -26.324 361 HB2 PRO 95 HB2 PRO 95 5.705 15.783 -27.183 362 HB3 PRO 95 HB3 PRO 95 3.943 15.782 -27.491 363 HG2 PRO 95 HG2 PRO 95 5.437 17.195 -25.253 364 HG3 PRO 95 HG3 PRO 95 4.230 17.889 -26.387 365 HD2 PRO 95 HD2 PRO 95 3.499 17.066 -23.920 366 HD3 PRO 95 HD3 PRO 95 2.441 16.732 -25.329 367 H TRP 96 H TRP 96 5.547 14.677 -23.423 368 HA TRP 96 HA TRP 96 8.237 13.736 -24.113 369 HB2 TRP 96 HB2 TRP 96 8.665 14.282 -21.728 370 HB3 TRP 96 HB3 TRP 96 8.018 15.608 -22.673 371 HD1 TRP 96 HD1 TRP 96 6.650 12.911 -20.240 372 HE1 TRP 96 HE1 TRP 96 4.767 13.952 -18.826 373 HE3 TRP 96 HE3 TRP 96 6.376 17.504 -22.502 374 HZ2 TRP 96 HZ2 TRP 96 3.331 16.457 -18.699 375 HZ3 TRP 96 HZ3 TRP 96 4.690 19.170 -21.759 376 HH2 TRP 96 HH2 TRP 96 3.172 18.663 -19.859 377 H LEU 97 H LEU 97 5.456 11.998 -23.449 378 HA LEU 97 HA LEU 97 6.125 10.413 -21.294 379 HB2 LEU 97 HB2 LEU 97 3.941 10.709 -22.861 380 HB3 LEU 97 HB3 LEU 97 4.507 9.228 -23.541 381 HG LEU 97 HG LEU 97 3.132 8.315 -22.009 382 HD11 LEU 97 HD11 LEU 97 5.243 9.018 -19.912 383 HD12 LEU 97 HD12 LEU 97 4.023 7.736 -19.825 384 HD13 LEU 97 HD13 LEU 97 5.314 7.609 -21.007 385 HD21 LEU 97 HD21 LEU 97 2.226 10.484 -21.389 386 HD22 LEU 97 HD22 LEU 97 2.337 9.366 -20.011 387 HD23 LEU 97 HD23 LEU 97 3.515 10.696 -20.185 388 H ARG 98 H ARG 98 7.559 8.798 -20.902 389 HA ARG 98 HA ARG 98 9.046 7.489 -23.076 390 HB2 ARG 98 HB2 ARG 98 10.125 8.406 -21.017 391 HB3 ARG 98 HB3 ARG 98 9.276 7.198 -20.048 392 HG2 ARG 98 HG2 ARG 98 10.454 5.384 -21.273 393 HG3 ARG 98 HG3 ARG 98 11.296 6.586 -22.264 394 HD2 ARG 98 HD2 ARG 98 11.475 6.343 -19.231 395 HD3 ARG 98 HD3 ARG 98 12.655 5.675 -20.370 396 HE ARG 98 HE ARG 98 12.579 8.324 -21.090 397 HH11 ARG 98 HH11 ARG 98 13.253 6.748 -18.032 398 HH12 ARG 98 HH12 ARG 98 14.268 8.052 -17.477 399 HH21 ARG 98 HH21 ARG 98 13.869 9.961 -20.315 400 HH22 ARG 98 HH22 ARG 98 14.610 9.818 -18.749 401 H LEU 99 H LEU 99 9.079 5.335 -23.588 402 HA LEU 99 HA LEU 99 6.874 3.621 -22.516 403 HB2 LEU 99 HB2 LEU 99 6.288 4.631 -24.592 404 HB3 LEU 99 HB3 LEU 99 7.759 4.134 -25.376 405 HG LEU 99 HG LEU 99 5.621 2.947 -26.013 406 HD11 LEU 99 HD11 LEU 99 7.659 0.986 -24.931 407 HD12 LEU 99 HD12 LEU 99 6.676 0.892 -26.407 408 HD13 LEU 99 HD13 LEU 99 7.998 2.044 -26.317 409 HD21 LEU 99 HD21 LEU 99 4.677 2.723 -23.721 410 HD22 LEU 99 HD22 LEU 99 4.685 1.236 -24.677 411 HD23 LEU 99 HD23 LEU 99 5.880 1.455 -23.383 412 H ASP 100 H ASP 100 7.579 1.745 -21.679 413 HA ASP 100 HA ASP 100 9.776 0.219 -22.964 414 HB2 ASP 100 HB2 ASP 100 9.608 0.900 -20.007 415 HB3 ASP 100 HB3 ASP 100 10.502 -0.483 -20.624 416 H MET 101 H MET 101 9.337 -1.916 -23.122 417 HA MET 101 HA MET 101 7.527 -3.347 -21.424 418 HB2 MET 101 HB2 MET 101 5.823 -3.961 -23.191 419 HB3 MET 101 HB3 MET 101 5.675 -2.410 -22.404 420 HG2 MET 101 HG2 MET 101 6.557 -1.234 -24.327 421 HG3 MET 101 HG3 MET 101 6.920 -2.768 -25.138 422 HE1 MET 101 HE1 MET 101 5.872 -1.606 -27.102 423 HE2 MET 101 HE2 MET 101 4.130 -1.511 -27.407 424 HE3 MET 101 HE3 MET 101 4.922 -0.264 -26.419 425 H SER 102 H SER 102 9.771 -4.311 -21.523 426 HA SER 102 HA SER 102 10.078 -6.454 -23.523 427 HB2 SER 102 HB2 SER 102 11.782 -7.268 -21.960 428 HB3 SER 102 HB3 SER 102 12.005 -5.536 -22.271 429 HG SER 102 HG SER 102 12.149 -5.983 -20.049 430 H ASP 103 H ASP 103 9.975 -8.812 -22.588 431 HA ASP 103 HA ASP 103 7.396 -9.384 -21.435 432 HB2 ASP 103 HB2 ASP 103 8.163 -11.650 -21.262 433 HB3 ASP 103 HB3 ASP 103 8.641 -10.993 -22.818 434 H LYS 104 H LYS 104 10.646 -8.986 -20.001 435 HA LYS 104 HA LYS 104 9.920 -9.605 -17.305 436 HB2 LYS 104 HB2 LYS 104 12.246 -9.483 -18.202 437 HB3 LYS 104 HB3 LYS 104 12.095 -7.738 -18.367 438 HG2 LYS 104 HG2 LYS 104 13.379 -8.305 -16.400 439 HG3 LYS 104 HG3 LYS 104 11.887 -7.504 -15.909 440 HD2 LYS 104 HD2 LYS 104 10.885 -9.627 -15.245 441 HD3 LYS 104 HD3 LYS 104 12.244 -10.545 -15.903 442 HE2 LYS 104 HE2 LYS 104 12.485 -8.515 -13.626 443 HE3 LYS 104 HE3 LYS 104 12.173 -10.232 -13.373 444 HZ1 LYS 104 HZ1 LYS 104 14.619 -9.139 -14.684 445 HZ2 LYS 104 HZ2 LYS 104 14.536 -9.782 -13.189 446 HZ3 LYS 104 HZ3 LYS 104 14.295 -10.733 -14.487 447 H ALA 105 H ALA 105 9.842 -6.473 -19.063 448 HA ALA 105 HA ALA 105 8.854 -4.945 -16.831 449 HB1 ALA 105 HB1 ALA 105 8.509 -4.499 -19.814 450 HB2 ALA 105 HB2 ALA 105 8.286 -3.276 -18.545 451 HB3 ALA 105 HB3 ALA 105 9.898 -3.956 -18.847 452 H ILE 106 H ILE 106 7.110 -6.802 -19.387 453 HA ILE 106 HA ILE 106 4.435 -6.125 -18.491 454 HB ILE 106 HB ILE 106 5.479 -8.511 -20.036 455 HG12 ILE 106 HG12 ILE 106 3.844 -6.118 -21.000 456 HG13 ILE 106 HG13 ILE 106 5.597 -6.072 -20.991 457 HG21 ILE 106 HG21 ILE 106 2.615 -7.604 -19.459 458 HG22 ILE 106 HG22 ILE 106 3.048 -8.812 -20.682 459 HG23 ILE 106 HG23 ILE 106 3.349 -9.152 -18.976 460 HD11 ILE 106 HD11 ILE 106 3.893 -8.007 -22.599 461 HD12 ILE 106 HD12 ILE 106 4.873 -6.654 -23.191 462 HD13 ILE 106 HD13 ILE 106 5.668 -8.069 -22.480 463 H PHE 107 H PHE 107 6.556 -8.913 -17.519 464 HA PHE 107 HA PHE 107 4.686 -9.822 -15.538 465 HB2 PHE 107 HB2 PHE 107 7.700 -10.175 -15.686 466 HB3 PHE 107 HB3 PHE 107 6.625 -11.081 -14.631 467 HD1 PHE 107 HD2 PHE 107 4.372 -11.916 -16.280 468 HD2 PHE 107 HD1 PHE 107 8.559 -11.654 -17.286 469 HE1 PHE 107 HE2 PHE 107 4.085 -13.707 -17.974 470 HE2 PHE 107 HE1 PHE 107 8.259 -13.417 -18.998 471 HZ PHE 107 HZ PHE 107 6.036 -14.472 -19.322 472 H ARG 108 H ARG 108 7.246 -7.338 -15.265 473 HA ARG 108 HA ARG 108 6.904 -7.042 -12.364 474 HB2 ARG 108 HB2 ARG 108 8.228 -5.322 -14.497 475 HB3 ARG 108 HB3 ARG 108 8.213 -4.887 -12.797 476 HG2 ARG 108 HG2 ARG 108 9.441 -7.487 -13.832 477 HG3 ARG 108 HG3 ARG 108 10.316 -5.976 -13.620 478 HD2 ARG 108 HD2 ARG 108 10.809 -7.154 -11.679 479 HD3 ARG 108 HD3 ARG 108 9.557 -6.008 -11.179 480 HE ARG 108 HE ARG 108 8.657 -8.723 -11.985 481 HH11 ARG 108 HH11 ARG 108 9.602 -6.765 -9.240 482 HH12 ARG 108 HH12 ARG 108 8.775 -7.792 -8.102 483 HH21 ARG 108 HH21 ARG 108 7.581 -9.972 -10.481 484 HH22 ARG 108 HH22 ARG 108 7.679 -9.569 -8.796 485 H ARG 109 H ARG 109 5.517 -5.343 -15.151 486 HA ARG 109 HA ARG 109 4.049 -3.418 -13.482 487 HB2 ARG 109 HB2 ARG 109 3.937 -4.088 -16.455 488 HB3 ARG 109 HB3 ARG 109 3.005 -2.796 -15.690 489 HG2 ARG 109 HG2 ARG 109 5.054 -1.645 -14.979 490 HG3 ARG 109 HG3 ARG 109 6.054 -2.965 -15.565 491 HD2 ARG 109 HD2 ARG 109 6.232 -1.293 -17.181 492 HD3 ARG 109 HD3 ARG 109 5.170 -2.515 -17.900 493 HE ARG 109 HE ARG 109 3.406 -0.751 -16.702 494 HH11 ARG 109 HH11 ARG 109 5.926 -0.224 -19.119 495 HH12 ARG 109 HH12 ARG 109 5.269 1.320 -19.560 496 HH21 ARG 109 HH21 ARG 109 2.595 1.175 -17.398 497 HH22 ARG 109 HH22 ARG 109 3.386 2.059 -18.662 498 H TYR 110 H TYR 110 3.269 -6.481 -15.039 499 HA TYR 110 HA TYR 110 0.681 -6.611 -13.550 500 HB2 TYR 110 HB2 TYR 110 1.249 -7.327 -16.442 501 HB3 TYR 110 HB3 TYR 110 -0.169 -7.835 -15.543 502 HD1 TYR 110 HD1 TYR 110 -1.818 -6.130 -14.692 503 HD2 TYR 110 HD2 TYR 110 1.300 -5.214 -17.533 504 HE1 TYR 110 HE1 TYR 110 -3.147 -4.199 -15.520 505 HE2 TYR 110 HE2 TYR 110 -0.027 -3.262 -18.350 506 HH TYR 110 HH TYR 110 -3.221 -2.402 -16.971 507 HA PRO 111 HA PRO 111 3.364 -10.217 -12.581 508 HB2 PRO 111 HB2 PRO 111 2.515 -10.760 -10.038 509 HB3 PRO 111 HB3 PRO 111 3.593 -9.389 -10.438 510 HG2 PRO 111 HG2 PRO 111 0.575 -9.339 -10.095 511 HG3 PRO 111 HG3 PRO 111 1.791 -8.261 -9.333 512 HD2 PRO 111 HD2 PRO 111 0.446 -7.529 -11.576 513 HD3 PRO 111 HD3 PRO 111 2.175 -7.107 -11.364 514 H HIS 112 H HIS 112 -0.091 -10.153 -12.875 515 HA HIS 112 HA HIS 112 -0.556 -12.949 -12.271 516 HB2 HIS 112 HB2 HIS 112 -2.783 -12.510 -12.877 517 HB3 HIS 112 HB3 HIS 112 -2.211 -11.100 -11.992 518 HD2 HIS 112 HD2 HIS 112 -3.792 -12.154 -15.215 519 HE1 HIS 112 HE1 HIS 112 -2.471 -8.177 -15.967 520 HE2 HIS 112 HE2 HIS 112 -3.874 -10.117 -16.869 521 H LEU 113 H LEU 113 0.778 -11.477 -15.116 522 HA LEU 113 HA LEU 113 -0.336 -13.348 -17.037 523 HB2 LEU 113 HB2 LEU 113 2.129 -11.553 -17.209 524 HB3 LEU 113 HB3 LEU 113 1.574 -12.592 -18.500 525 HG LEU 113 HG LEU 113 0.843 -10.450 -19.100 526 HD11 LEU 113 HD11 LEU 113 -1.627 -11.655 -17.791 527 HD12 LEU 113 HD12 LEU 113 -1.563 -10.579 -19.194 528 HD13 LEU 113 HD13 LEU 113 -0.937 -12.238 -19.320 529 HD21 LEU 113 HD21 LEU 113 1.170 -9.368 -17.051 530 HD22 LEU 113 HD22 LEU 113 -0.420 -8.955 -17.728 531 HD23 LEU 113 HD23 LEU 113 -0.303 -10.086 -16.361 532 H ARG 114 H ARG 114 2.375 -13.609 -14.804 533 HA ARG 114 HA ARG 114 3.652 -15.796 -16.200 534 HB2 ARG 114 HB2 ARG 114 4.430 -13.978 -14.253 535 HB3 ARG 114 HB3 ARG 114 4.229 -15.445 -13.304 536 HG2 ARG 114 HG2 ARG 114 5.935 -15.102 -15.802 537 HG3 ARG 114 HG3 ARG 114 6.522 -15.146 -14.134 538 HD2 ARG 114 HD2 ARG 114 5.678 -17.489 -13.916 539 HD3 ARG 114 HD3 ARG 114 5.159 -17.431 -15.615 540 HE ARG 114 HE ARG 114 7.956 -16.784 -15.360 541 HH11 ARG 114 HH11 ARG 114 5.783 -19.531 -15.425 542 HH12 ARG 114 HH12 ARG 114 7.018 -20.619 -15.999 543 HH21 ARG 114 HH21 ARG 114 9.485 -18.220 -16.099 544 HH22 ARG 114 HH22 ARG 114 9.064 -19.886 -16.370 Start of MODEL 12 1 H1 MET 1 H1 MET 1 20.974 1.043 -0.600 2 H2 MET 1 H2 MET 1 21.752 2.374 -0.080 3 H3 MET 1 H3 MET 1 22.552 1.269 -0.981 4 HA MET 1 HA MET 1 20.302 2.971 -1.879 5 HB2 MET 1 HB2 MET 1 23.246 3.156 -2.629 6 HB3 MET 1 HB3 MET 1 21.940 3.918 -3.538 7 HG2 MET 1 HG2 MET 1 21.263 5.201 -1.531 8 HG3 MET 1 HG3 MET 1 22.568 4.450 -0.613 9 HE1 MET 1 HE1 MET 1 21.539 7.114 -3.254 10 HE2 MET 1 HE2 MET 1 23.094 7.667 -3.909 11 HE3 MET 1 HE3 MET 1 22.483 6.056 -4.331 12 H ARG 2 H ARG 2 22.845 1.208 -3.737 13 HA ARG 2 HA ARG 2 22.736 0.038 -5.681 14 HB2 ARG 2 HB2 ARG 2 20.391 -1.167 -4.197 15 HB3 ARG 2 HB3 ARG 2 20.626 -1.569 -5.875 16 HG2 ARG 2 HG2 ARG 2 21.598 -3.257 -4.559 17 HG3 ARG 2 HG3 ARG 2 22.881 -2.440 -5.431 18 HD2 ARG 2 HD2 ARG 2 22.229 -1.667 -2.569 19 HD3 ARG 2 HD3 ARG 2 23.142 -3.144 -2.915 20 HE ARG 2 HE ARG 2 24.423 -1.100 -4.359 21 HH11 ARG 2 HH11 ARG 2 24.035 -2.082 -1.020 22 HH12 ARG 2 HH12 ARG 2 25.552 -1.377 -0.538 23 HH21 ARG 2 HH21 ARG 2 26.339 -0.191 -3.672 24 HH22 ARG 2 HH22 ARG 2 26.820 -0.337 -2.009 25 H GLY 3 H GLY 3 21.422 -0.499 -7.689 26 HA2 GLY 3 HA2 GLY 3 19.209 1.084 -8.503 27 HA3 GLY 3 HA3 GLY 3 20.682 1.925 -8.990 28 H SER 4 H SER 4 18.734 0.960 -10.780 29 HA SER 4 HA SER 4 20.387 -0.654 -12.580 30 HB2 SER 4 HB2 SER 4 19.135 -2.351 -11.202 31 HB3 SER 4 HB3 SER 4 17.617 -1.661 -11.808 32 HG SER 4 HG SER 4 18.384 -3.489 -13.045 33 H HIS 5 H HIS 5 19.564 -0.673 -14.753 34 HA HIS 5 HA HIS 5 17.640 1.555 -15.391 35 HB2 HIS 5 HB2 HIS 5 20.224 0.826 -16.807 36 HB3 HIS 5 HB3 HIS 5 19.068 2.041 -17.343 37 HD2 HIS 5 HD2 HIS 5 21.918 1.512 -14.878 38 HE1 HIS 5 HE1 HIS 5 20.519 5.485 -14.191 39 HE2 HIS 5 HE2 HIS 5 22.360 3.809 -13.656 40 H HIS 6 H HIS 6 18.783 -1.656 -16.374 41 HA HIS 6 HA HIS 6 18.099 -3.176 -17.902 42 HB2 HIS 6 HB2 HIS 6 16.190 -3.039 -16.248 43 HB3 HIS 6 HB3 HIS 6 15.313 -2.078 -17.437 44 HD2 HIS 6 HD2 HIS 6 13.527 -3.641 -18.462 45 HE1 HIS 6 HE1 HIS 6 15.920 -7.090 -19.237 46 HE2 HIS 6 HE2 HIS 6 13.620 -6.040 -19.546 47 H HIS 7 H HIS 7 16.112 -3.282 -19.889 48 HA HIS 7 HA HIS 7 16.623 -1.035 -21.757 49 HB2 HIS 7 HB2 HIS 7 18.403 -2.692 -22.189 50 HB3 HIS 7 HB3 HIS 7 17.185 -3.955 -22.400 51 HD2 HIS 7 HD2 HIS 7 16.643 -4.413 -24.882 52 HE1 HIS 7 HE1 HIS 7 17.283 -0.532 -26.537 53 HE2 HIS 7 HE2 HIS 7 16.622 -2.934 -27.066 54 H HIS 8 H HIS 8 15.052 -0.777 -23.366 55 HA HIS 8 HA HIS 8 12.465 -2.119 -22.747 56 HB2 HIS 8 HB2 HIS 8 11.389 -0.039 -23.263 57 HB3 HIS 8 HB3 HIS 8 12.596 0.177 -22.001 58 HD2 HIS 8 HD2 HIS 8 11.493 1.605 -25.260 59 HE1 HIS 8 HE1 HIS 8 15.400 3.219 -24.682 60 HE2 HIS 8 HE2 HIS 8 13.271 3.376 -26.071 61 H HIS 9 H HIS 9 11.260 -3.021 -24.243 62 HA HIS 9 HA HIS 9 11.844 -2.646 -27.143 63 HB2 HIS 9 HB2 HIS 9 11.917 -4.952 -26.162 64 HB3 HIS 9 HB3 HIS 9 10.205 -4.797 -25.758 65 HD2 HIS 9 HD2 HIS 9 12.510 -4.621 -28.916 66 HE1 HIS 9 HE1 HIS 9 8.693 -6.020 -30.210 67 HE2 HIS 9 HE2 HIS 9 11.075 -5.498 -30.947 68 H HIS 10 H HIS 10 10.085 -2.356 -28.622 69 HA HIS 10 HA HIS 10 7.783 -0.833 -27.520 70 HB2 HIS 10 HB2 HIS 10 8.432 1.119 -28.810 71 HB3 HIS 10 HB3 HIS 10 9.768 0.647 -27.774 72 HD2 HIS 10 HD2 HIS 10 8.853 1.192 -31.409 73 HE1 HIS 10 HE1 HIS 10 12.803 -0.422 -31.487 74 HE2 HIS 10 HE2 HIS 10 10.981 0.683 -32.882 75 H GLY 11 H GLY 11 6.371 0.088 -29.258 76 HA2 GLY 11 HA2 GLY 11 5.156 -0.010 -31.216 77 HA3 GLY 11 HA3 GLY 11 6.185 -1.290 -31.826 78 H SER 12 H SER 12 3.145 -0.754 -31.471 79 HA SER 12 HA SER 12 2.479 -3.575 -31.401 80 HB2 SER 12 HB2 SER 12 2.252 -2.763 -28.952 81 HB3 SER 12 HB3 SER 12 0.877 -1.808 -29.529 82 HG SER 12 HG SER 12 1.215 -4.642 -29.565 83 H GLY 58 H GLY 58 -0.036 -3.760 -31.855 84 HA2 GLY 58 HA2 GLY 58 -1.303 -1.638 -33.373 85 HA3 GLY 58 HA3 GLY 58 -0.432 -2.738 -34.444 86 H ALA 59 H ALA 59 -2.345 -3.430 -31.480 87 HA ALA 59 HA ALA 59 -4.413 -4.876 -33.042 88 HB1 ALA 59 HB1 ALA 59 -2.705 -6.159 -30.859 89 HB2 ALA 59 HB2 ALA 59 -4.075 -6.924 -31.693 90 HB3 ALA 59 HB3 ALA 59 -2.610 -6.517 -32.596 91 H LEU 60 H LEU 60 -6.073 -5.842 -31.412 92 HA LEU 60 HA LEU 60 -6.755 -3.859 -29.285 93 HB2 LEU 60 HB2 LEU 60 -8.359 -5.934 -30.819 94 HB3 LEU 60 HB3 LEU 60 -8.924 -5.324 -29.284 95 HG LEU 60 HG LEU 60 -10.019 -4.220 -31.127 96 HD11 LEU 60 HD11 LEU 60 -8.220 -2.238 -29.678 97 HD12 LEU 60 HD12 LEU 60 -9.808 -1.929 -30.399 98 HD13 LEU 60 HD13 LEU 60 -9.679 -2.997 -28.994 99 HD21 LEU 60 HD21 LEU 60 -8.170 -4.260 -32.794 100 HD22 LEU 60 HD22 LEU 60 -8.951 -2.678 -32.633 101 HD23 LEU 60 HD23 LEU 60 -7.365 -2.953 -31.891 102 H ALA 61 H ALA 61 -7.342 -4.610 -27.174 103 HA ALA 61 HA ALA 61 -5.916 -7.102 -26.355 104 HB1 ALA 61 HB1 ALA 61 -6.630 -4.616 -24.757 105 HB2 ALA 61 HB2 ALA 61 -5.829 -6.063 -24.115 106 HB3 ALA 61 HB3 ALA 61 -5.015 -5.082 -25.340 107 H ALA 62 H ALA 62 -6.885 -8.659 -25.172 108 HA ALA 62 HA ALA 62 -9.777 -8.437 -24.487 109 HB1 ALA 62 HB1 ALA 62 -7.912 -10.839 -24.466 110 HB2 ALA 62 HB2 ALA 62 -9.643 -10.852 -24.076 111 HB3 ALA 62 HB3 ALA 62 -9.110 -10.452 -25.721 112 H LEU 63 H LEU 63 -10.488 -8.531 -22.384 113 HA LEU 63 HA LEU 63 -8.477 -8.549 -20.183 114 HB2 LEU 63 HB2 LEU 63 -10.884 -6.696 -20.470 115 HB3 LEU 63 HB3 LEU 63 -9.924 -6.912 -19.019 116 HG LEU 63 HG LEU 63 -7.881 -6.156 -20.455 117 HD11 LEU 63 HD11 LEU 63 -10.194 -5.028 -22.113 118 HD12 LEU 63 HD12 LEU 63 -8.523 -4.441 -22.183 119 HD13 LEU 63 HD13 LEU 63 -8.891 -6.072 -22.709 120 HD21 LEU 63 HD21 LEU 63 -8.884 -4.879 -18.616 121 HD22 LEU 63 HD22 LEU 63 -8.415 -3.800 -19.933 122 HD23 LEU 63 HD23 LEU 63 -10.127 -4.240 -19.714 123 H HIS 64 H HIS 64 -9.204 -9.333 -18.176 124 HA HIS 64 HA HIS 64 -11.331 -11.371 -18.230 125 HB2 HIS 64 HB2 HIS 64 -9.656 -10.202 -16.005 126 HB3 HIS 64 HB3 HIS 64 -10.823 -11.495 -15.767 127 HD2 HIS 64 HD2 HIS 64 -7.230 -10.969 -16.389 128 HE1 HIS 64 HE1 HIS 64 -7.932 -15.016 -17.522 129 HE2 HIS 64 HE2 HIS 64 -6.139 -13.296 -16.973 130 H ALA 65 H ALA 65 -13.449 -11.077 -17.658 131 HA ALA 65 HA ALA 65 -14.346 -8.340 -17.008 132 HB1 ALA 65 HB1 ALA 65 -15.887 -10.858 -17.748 133 HB2 ALA 65 HB2 ALA 65 -16.536 -9.209 -17.661 134 HB3 ALA 65 HB3 ALA 65 -15.319 -9.611 -18.889 135 H ASP 66 H ASP 66 -13.914 -11.323 -15.259 136 HA ASP 66 HA ASP 66 -15.405 -10.326 -12.904 137 HB2 ASP 66 HB2 ASP 66 -17.005 -11.519 -14.424 138 HB3 ASP 66 HB3 ASP 66 -15.998 -12.961 -14.310 139 H GLY 67 H GLY 67 -15.196 -11.893 -11.034 140 HA2 GLY 67 HA2 GLY 67 -14.042 -13.307 -9.621 141 HA3 GLY 67 HA3 GLY 67 -13.231 -13.959 -11.030 142 HA PRO 68 HA PRO 68 -10.031 -12.187 -8.248 143 HB2 PRO 68 HB2 PRO 68 -7.818 -13.435 -9.407 144 HB3 PRO 68 HB3 PRO 68 -8.916 -14.190 -8.207 145 HG2 PRO 68 HG2 PRO 68 -8.960 -14.420 -11.226 146 HG3 PRO 68 HG3 PRO 68 -9.103 -15.729 -10.010 147 HD2 PRO 68 HD2 PRO 68 -11.278 -14.695 -11.209 148 HD3 PRO 68 HD3 PRO 68 -11.326 -15.100 -9.465 149 H HIS 69 H HIS 69 -9.904 -12.130 -11.764 150 HA HIS 69 HA HIS 69 -7.844 -9.964 -11.784 151 HB2 HIS 69 HB2 HIS 69 -8.477 -12.196 -13.712 152 HB3 HIS 69 HB3 HIS 69 -7.335 -10.905 -14.036 153 HD2 HIS 69 HD2 HIS 69 -6.238 -13.685 -14.120 154 HE1 HIS 69 HE1 HIS 69 -4.420 -12.977 -10.341 155 HE2 HIS 69 HE2 HIS 69 -4.418 -14.494 -12.382 156 H ALA 70 H ALA 70 -10.978 -9.692 -11.773 157 HA ALA 70 HA ALA 70 -11.859 -8.763 -14.244 158 HB1 ALA 70 HB1 ALA 70 -12.589 -7.703 -11.487 159 HB2 ALA 70 HB2 ALA 70 -13.546 -7.516 -12.972 160 HB3 ALA 70 HB3 ALA 70 -13.290 -9.130 -12.281 161 H GLY 71 H GLY 71 -11.277 -7.175 -15.564 162 HA2 GLY 71 HA2 GLY 71 -10.707 -5.019 -16.267 163 HA3 GLY 71 HA3 GLY 71 -10.297 -4.552 -14.619 164 H LEU 72 H LEU 72 -8.651 -7.457 -15.216 165 HA LEU 72 HA LEU 72 -6.149 -6.058 -15.983 166 HB2 LEU 72 HB2 LEU 72 -6.580 -8.958 -15.196 167 HB3 LEU 72 HB3 LEU 72 -5.044 -8.146 -15.404 168 HG LEU 72 HG LEU 72 -7.033 -7.611 -13.171 169 HD11 LEU 72 HD11 LEU 72 -4.207 -8.718 -13.032 170 HD12 LEU 72 HD12 LEU 72 -5.441 -8.698 -11.761 171 HD13 LEU 72 HD13 LEU 72 -5.611 -9.772 -13.163 172 HD21 LEU 72 HD21 LEU 72 -5.876 -5.522 -13.723 173 HD22 LEU 72 HD22 LEU 72 -5.245 -6.189 -12.213 174 HD23 LEU 72 HD23 LEU 72 -4.306 -6.361 -13.712 175 HA PRO 73 HA PRO 73 -6.115 -7.776 -20.213 176 HB2 PRO 73 HB2 PRO 73 -3.415 -8.320 -20.497 177 HB3 PRO 73 HB3 PRO 73 -4.124 -6.691 -20.668 178 HG2 PRO 73 HG2 PRO 73 -2.782 -7.950 -18.254 179 HG3 PRO 73 HG3 PRO 73 -2.519 -6.311 -18.921 180 HD2 PRO 73 HD2 PRO 73 -4.126 -6.686 -16.797 181 HD3 PRO 73 HD3 PRO 73 -4.574 -5.512 -18.059 182 H VAL 74 H VAL 74 -6.041 -9.905 -21.187 183 HA VAL 74 HA VAL 74 -5.851 -12.088 -19.223 184 HB VAL 74 HB VAL 74 -6.545 -12.350 -22.159 185 HG11 VAL 74 HG11 VAL 74 -6.930 -14.169 -19.753 186 HG12 VAL 74 HG12 VAL 74 -7.601 -14.458 -21.373 187 HG13 VAL 74 HG13 VAL 74 -5.853 -14.469 -21.134 188 HG21 VAL 74 HG21 VAL 74 -8.182 -10.887 -21.048 189 HG22 VAL 74 HG22 VAL 74 -8.890 -12.468 -21.359 190 HG23 VAL 74 HG23 VAL 74 -8.351 -12.049 -19.718 191 H THR 75 H THR 75 -4.124 -11.377 -22.347 192 HA THR 75 HA THR 75 -2.017 -13.307 -21.532 193 HB THR 75 HB THR 75 -1.491 -13.491 -23.818 194 HG1 THR 75 HG1 THR 75 -2.794 -12.189 -25.346 195 HG21 THR 75 HG21 THR 75 -4.523 -13.369 -23.773 196 HG22 THR 75 HG22 THR 75 -3.488 -14.323 -24.853 197 HG23 THR 75 HG23 THR 75 -3.555 -14.713 -23.126 198 H ARG 76 H ARG 76 0.215 -12.864 -22.344 199 HA ARG 76 HA ARG 76 1.410 -10.395 -21.478 200 HB2 ARG 76 HB2 ARG 76 2.297 -12.523 -23.487 201 HB3 ARG 76 HB3 ARG 76 3.334 -11.188 -22.982 202 HG2 ARG 76 HG2 ARG 76 3.578 -11.986 -20.789 203 HG3 ARG 76 HG3 ARG 76 2.111 -12.966 -20.863 204 HD2 ARG 76 HD2 ARG 76 4.059 -14.412 -20.909 205 HD3 ARG 76 HD3 ARG 76 3.137 -14.531 -22.411 206 HE ARG 76 HE ARG 76 5.293 -12.587 -22.671 207 HH11 ARG 76 HH11 ARG 76 4.801 -16.079 -22.685 208 HH12 ARG 76 HH12 ARG 76 6.160 -16.330 -23.743 209 HH21 ARG 76 HH21 ARG 76 6.886 -12.958 -23.967 210 HH22 ARG 76 HH22 ARG 76 7.360 -14.583 -24.472 211 H SER 77 H SER 77 0.268 -11.387 -24.721 212 HA SER 77 HA SER 77 1.015 -8.969 -26.064 213 HB2 SER 77 HB2 SER 77 -1.219 -10.920 -26.734 214 HB3 SER 77 HB3 SER 77 -0.517 -9.705 -27.821 215 HG SER 77 HG SER 77 0.438 -11.797 -28.113 216 H ASP 78 H ASP 78 -2.088 -9.888 -24.419 217 HA ASP 78 HA ASP 78 -3.456 -7.443 -25.001 218 HB2 ASP 78 HB2 ASP 78 -3.658 -9.231 -22.551 219 HB3 ASP 78 HB3 ASP 78 -4.786 -7.949 -22.972 220 H ALA 79 H ALA 79 -1.327 -8.300 -22.226 221 HA ALA 79 HA ALA 79 -1.444 -5.771 -20.889 222 HB1 ALA 79 HB1 ALA 79 0.793 -7.803 -20.954 223 HB2 ALA 79 HB2 ALA 79 0.483 -6.556 -19.708 224 HB3 ALA 79 HB3 ALA 79 -0.646 -7.906 -19.926 225 H ARG 80 H ARG 80 0.852 -6.926 -23.400 226 HA ARG 80 HA ARG 80 2.376 -4.514 -23.602 227 HB2 ARG 80 HB2 ARG 80 2.798 -6.907 -24.533 228 HB3 ARG 80 HB3 ARG 80 1.804 -6.419 -25.911 229 HG2 ARG 80 HG2 ARG 80 3.399 -4.436 -26.200 230 HG3 ARG 80 HG3 ARG 80 4.412 -5.163 -24.950 231 HD2 ARG 80 HD2 ARG 80 3.808 -6.141 -27.741 232 HD3 ARG 80 HD3 ARG 80 5.378 -5.799 -27.029 233 HE ARG 80 HE ARG 80 3.826 -8.264 -26.902 234 HH11 ARG 80 HH11 ARG 80 6.477 -6.632 -25.112 235 HH12 ARG 80 HH12 ARG 80 7.155 -8.224 -24.767 236 HH21 ARG 80 HH21 ARG 80 4.792 -10.128 -26.121 237 HH22 ARG 80 HH22 ARG 80 6.223 -9.972 -25.108 238 H VAL 81 H VAL 81 -0.626 -5.475 -25.302 239 HA VAL 81 HA VAL 81 -0.754 -3.155 -27.039 240 HB VAL 81 HB VAL 81 -2.792 -5.204 -26.103 241 HG11 VAL 81 HG11 VAL 81 -3.235 -2.880 -28.025 242 HG12 VAL 81 HG12 VAL 81 -4.307 -4.285 -27.867 243 HG13 VAL 81 HG13 VAL 81 -4.111 -3.181 -26.509 244 HG21 VAL 81 HG21 VAL 81 -1.010 -5.853 -27.808 245 HG22 VAL 81 HG22 VAL 81 -2.684 -6.028 -28.357 246 HG23 VAL 81 HG23 VAL 81 -1.712 -4.642 -28.892 247 H LEU 82 H LEU 82 -2.152 -3.931 -23.837 248 HA LEU 82 HA LEU 82 -3.583 -1.437 -23.573 249 HB2 LEU 82 HB2 LEU 82 -2.567 -3.451 -21.528 250 HB3 LEU 82 HB3 LEU 82 -3.401 -1.983 -21.056 251 HG LEU 82 HG LEU 82 -4.574 -4.256 -22.698 252 HD11 LEU 82 HD11 LEU 82 -5.386 -3.099 -20.001 253 HD12 LEU 82 HD12 LEU 82 -5.984 -4.586 -20.773 254 HD13 LEU 82 HD13 LEU 82 -4.310 -4.490 -20.188 255 HD21 LEU 82 HD21 LEU 82 -5.590 -2.240 -23.589 256 HD22 LEU 82 HD22 LEU 82 -6.735 -2.992 -22.487 257 HD23 LEU 82 HD23 LEU 82 -5.811 -1.575 -21.950 258 H ILE 83 H ILE 83 -0.296 -2.348 -22.390 259 HA ILE 83 HA ILE 83 0.361 0.212 -21.317 260 HB ILE 83 HB ILE 83 2.101 -1.937 -22.583 261 HG12 ILE 83 HG12 ILE 83 1.909 -1.088 -19.659 262 HG13 ILE 83 HG13 ILE 83 0.838 -2.306 -20.337 263 HG21 ILE 83 HG21 ILE 83 2.886 0.732 -21.331 264 HG22 ILE 83 HG22 ILE 83 4.004 -0.626 -21.373 265 HG23 ILE 83 HG23 ILE 83 3.405 0.042 -22.888 266 HD11 ILE 83 HD11 ILE 83 3.872 -2.520 -20.189 267 HD12 ILE 83 HD12 ILE 83 2.674 -3.426 -19.252 268 HD13 ILE 83 HD13 ILE 83 2.801 -3.686 -21.002 269 H PHE 84 H PHE 84 0.831 -1.028 -24.686 270 HA PHE 84 HA PHE 84 1.995 1.347 -25.664 271 HB2 PHE 84 HB2 PHE 84 1.991 -0.912 -26.756 272 HB3 PHE 84 HB3 PHE 84 0.318 -0.664 -27.213 273 HD1 PHE 84 HD1 PHE 84 3.709 0.943 -27.449 274 HD2 PHE 84 HD2 PHE 84 -0.186 0.500 -29.228 275 HE1 PHE 84 HE1 PHE 84 4.526 2.099 -29.478 276 HE2 PHE 84 HE2 PHE 84 0.630 1.662 -31.281 277 HZ PHE 84 HZ PHE 84 2.986 2.445 -31.415 278 H ASN 85 H ASN 85 -1.477 0.359 -26.020 279 HA ASN 85 HA ASN 85 -2.310 2.750 -27.298 280 HB2 ASN 85 HB2 ASN 85 -3.604 0.642 -27.256 281 HB3 ASN 85 HB3 ASN 85 -3.852 0.808 -25.515 282 HD21 ASN 85 HD22 ASN 85 -4.604 2.342 -28.681 283 HD22 ASN 85 HD21 ASN 85 -6.043 3.148 -28.084 284 H ASP 86 H ASP 86 -2.224 2.000 -23.757 285 HA ASP 86 HA ASP 86 -3.424 4.490 -22.973 286 HB2 ASP 86 HB2 ASP 86 -3.309 2.395 -21.604 287 HB3 ASP 86 HB3 ASP 86 -1.577 2.678 -21.380 288 H TRP 87 H TRP 87 0.031 3.487 -23.309 289 HA TRP 87 HA TRP 87 1.221 5.995 -22.610 290 HB2 TRP 87 HB2 TRP 87 2.635 4.093 -22.789 291 HB3 TRP 87 HB3 TRP 87 2.035 3.694 -24.393 292 HD1 TRP 87 HD1 TRP 87 4.249 6.384 -22.730 293 HE1 TRP 87 HE1 TRP 87 6.029 7.111 -24.465 294 HE3 TRP 87 HE3 TRP 87 2.405 4.039 -26.911 295 HZ2 TRP 87 HZ2 TRP 87 6.576 6.732 -27.237 296 HZ3 TRP 87 HZ3 TRP 87 3.487 4.388 -29.110 297 HH2 TRP 87 HH2 TRP 87 5.597 5.685 -29.288 298 H GLU 88 H GLU 88 0.175 4.777 -25.893 299 HA GLU 88 HA GLU 88 0.973 7.018 -27.315 300 HB2 GLU 88 HB2 GLU 88 0.376 4.750 -28.122 301 HB3 GLU 88 HB3 GLU 88 -1.331 5.072 -27.846 302 HG2 GLU 88 HG2 GLU 88 0.191 7.047 -29.498 303 HG3 GLU 88 HG3 GLU 88 0.052 5.420 -30.150 304 H GLU 89 H GLU 89 -2.243 6.447 -25.700 305 HA GLU 89 HA GLU 89 -3.301 8.946 -26.611 306 HB2 GLU 89 HB2 GLU 89 -4.611 6.955 -25.935 307 HB3 GLU 89 HB3 GLU 89 -4.129 7.201 -24.252 308 HG2 GLU 89 HG2 GLU 89 -5.410 9.081 -24.006 309 HG3 GLU 89 HG3 GLU 89 -5.301 9.555 -25.703 310 H ARG 90 H ARG 90 -1.694 8.016 -23.505 311 HA ARG 90 HA ARG 90 -1.781 10.689 -22.398 312 HB2 ARG 90 HB2 ARG 90 0.217 8.441 -21.942 313 HB3 ARG 90 HB3 ARG 90 0.142 9.954 -21.021 314 HG2 ARG 90 HG2 ARG 90 -2.094 9.432 -20.190 315 HG3 ARG 90 HG3 ARG 90 -2.121 7.937 -21.127 316 HD2 ARG 90 HD2 ARG 90 0.112 7.372 -19.880 317 HD3 ARG 90 HD3 ARG 90 -0.362 8.635 -18.743 318 HE ARG 90 HE ARG 90 -1.601 5.979 -19.213 319 HH11 ARG 90 HH11 ARG 90 -2.094 8.982 -17.419 320 HH12 ARG 90 HH12 ARG 90 -3.287 8.219 -16.405 321 HH21 ARG 90 HH21 ARG 90 -3.023 5.183 -18.070 322 HH22 ARG 90 HH22 ARG 90 -3.828 6.035 -16.746 323 H LYS 91 H LYS 91 0.440 9.202 -24.755 324 HA LYS 91 HA LYS 91 2.277 11.417 -24.817 325 HB2 LYS 91 HB2 LYS 91 2.832 9.118 -25.535 326 HB3 LYS 91 HB3 LYS 91 1.773 9.303 -26.940 327 HG2 LYS 91 HG2 LYS 91 3.176 11.140 -27.788 328 HG3 LYS 91 HG3 LYS 91 4.179 11.077 -26.322 329 HD2 LYS 91 HD2 LYS 91 4.811 8.749 -26.864 330 HD3 LYS 91 HD3 LYS 91 3.874 8.810 -28.357 331 HE2 LYS 91 HE2 LYS 91 6.210 10.676 -27.685 332 HE3 LYS 91 HE3 LYS 91 6.383 9.169 -28.585 333 HZ1 LYS 91 HZ1 LYS 91 4.760 11.502 -29.493 334 HZ2 LYS 91 HZ2 LYS 91 6.191 11.027 -30.108 335 HZ3 LYS 91 HZ3 LYS 91 4.883 10.077 -30.298 336 H ARG 92 H ARG 92 -0.661 10.710 -26.732 337 HA ARG 92 HA ARG 92 -0.542 13.123 -28.334 338 HB2 ARG 92 HB2 ARG 92 -2.834 11.315 -27.469 339 HB3 ARG 92 HB3 ARG 92 -3.098 12.795 -28.398 340 HG2 ARG 92 HG2 ARG 92 -1.564 12.004 -30.161 341 HG3 ARG 92 HG3 ARG 92 -1.307 10.488 -29.292 342 HD2 ARG 92 HD2 ARG 92 -4.041 11.461 -30.244 343 HD3 ARG 92 HD3 ARG 92 -2.979 10.436 -31.200 344 HE ARG 92 HE ARG 92 -3.145 8.660 -29.547 345 HH11 ARG 92 HH11 ARG 92 -5.703 11.081 -29.096 346 HH12 ARG 92 HH12 ARG 92 -6.686 9.892 -28.274 347 HH21 ARG 92 HH21 ARG 92 -4.364 7.380 -28.596 348 HH22 ARG 92 HH22 ARG 92 -5.928 7.874 -27.876 349 H SER 93 H SER 93 -1.807 12.579 -25.015 350 HA SER 93 HA SER 93 -2.512 15.383 -24.688 351 HB2 SER 93 HB2 SER 93 -1.946 13.258 -22.596 352 HB3 SER 93 HB3 SER 93 -2.640 14.860 -22.290 353 HG SER 93 HG SER 93 -4.287 13.271 -22.528 354 H GLU 94 H GLU 94 0.452 13.573 -23.864 355 HA GLU 94 HA GLU 94 1.927 16.061 -23.107 356 HB2 GLU 94 HB2 GLU 94 1.677 13.455 -21.557 357 HB3 GLU 94 HB3 GLU 94 2.812 14.751 -21.202 358 HG2 GLU 94 HG2 GLU 94 0.882 16.320 -20.901 359 HG3 GLU 94 HG3 GLU 94 -0.223 14.957 -21.107 360 HA PRO 95 HA PRO 95 3.981 13.714 -26.313 361 HB2 PRO 95 HB2 PRO 95 5.817 15.540 -27.256 362 HB3 PRO 95 HB3 PRO 95 4.054 15.644 -27.531 363 HG2 PRO 95 HG2 PRO 95 5.676 17.013 -25.357 364 HG3 PRO 95 HG3 PRO 95 4.498 17.756 -26.491 365 HD2 PRO 95 HD2 PRO 95 3.749 17.049 -23.997 366 HD3 PRO 95 HD3 PRO 95 2.656 16.737 -25.382 367 H TRP 96 H TRP 96 5.681 14.517 -23.471 368 HA TRP 96 HA TRP 96 8.314 13.492 -24.225 369 HB2 TRP 96 HB2 TRP 96 8.807 14.017 -21.841 370 HB3 TRP 96 HB3 TRP 96 8.171 15.358 -22.769 371 HD1 TRP 96 HD1 TRP 96 6.809 12.686 -20.314 372 HE1 TRP 96 HE1 TRP 96 4.952 13.746 -18.878 373 HE3 TRP 96 HE3 TRP 96 6.547 17.274 -22.585 374 HZ2 TRP 96 HZ2 TRP 96 3.524 16.257 -18.758 375 HZ3 TRP 96 HZ3 TRP 96 4.880 18.955 -21.831 376 HH2 TRP 96 HH2 TRP 96 3.373 18.462 -19.917 377 H LEU 97 H LEU 97 5.560 11.781 -23.606 378 HA LEU 97 HA LEU 97 6.096 10.231 -21.415 379 HB2 LEU 97 HB2 LEU 97 4.025 10.504 -23.176 380 HB3 LEU 97 HB3 LEU 97 4.589 8.951 -23.680 381 HG LEU 97 HG LEU 97 3.037 8.275 -22.167 382 HD11 LEU 97 HD11 LEU 97 5.113 8.920 -20.018 383 HD12 LEU 97 HD12 LEU 97 3.821 7.712 -19.954 384 HD13 LEU 97 HD13 LEU 97 5.164 7.478 -21.061 385 HD21 LEU 97 HD21 LEU 97 2.294 10.533 -21.687 386 HD22 LEU 97 HD22 LEU 97 2.313 9.513 -20.230 387 HD23 LEU 97 HD23 LEU 97 3.592 10.731 -20.488 388 H ARG 98 H ARG 98 7.438 8.578 -20.880 389 HA ARG 98 HA ARG 98 9.035 7.175 -22.913 390 HB2 ARG 98 HB2 ARG 98 9.942 8.148 -20.732 391 HB3 ARG 98 HB3 ARG 98 9.059 6.897 -19.879 392 HG2 ARG 98 HG2 ARG 98 11.327 6.183 -20.032 393 HG3 ARG 98 HG3 ARG 98 10.401 5.154 -21.110 394 HD2 ARG 98 HD2 ARG 98 12.490 5.751 -22.166 395 HD3 ARG 98 HD3 ARG 98 11.176 6.538 -23.053 396 HE ARG 98 HE ARG 98 12.260 8.261 -20.982 397 HH11 ARG 98 HH11 ARG 98 13.072 7.136 -24.205 398 HH12 ARG 98 HH12 ARG 98 14.021 8.553 -24.555 399 HH21 ARG 98 HH21 ARG 98 13.470 10.045 -21.503 400 HH22 ARG 98 HH22 ARG 98 14.247 10.150 -23.053 401 H LEU 99 H LEU 99 9.040 4.959 -23.316 402 HA LEU 99 HA LEU 99 6.620 3.447 -22.419 403 HB2 LEU 99 HB2 LEU 99 6.533 4.282 -24.690 404 HB3 LEU 99 HB3 LEU 99 8.046 3.531 -25.102 405 HG LEU 99 HG LEU 99 5.891 2.479 -25.963 406 HD11 LEU 99 HD11 LEU 99 7.663 0.589 -24.375 407 HD12 LEU 99 HD12 LEU 99 6.731 0.262 -25.830 408 HD13 LEU 99 HD13 LEU 99 8.120 1.344 -25.913 409 HD21 LEU 99 HD21 LEU 99 4.607 2.624 -23.833 410 HD22 LEU 99 HD22 LEU 99 4.588 1.051 -24.640 411 HD23 LEU 99 HD23 LEU 99 5.594 1.285 -23.202 412 H ASP 100 H ASP 100 6.933 1.579 -21.399 413 HA ASP 100 HA ASP 100 9.414 -0.035 -21.817 414 HB2 ASP 100 HB2 ASP 100 8.140 0.714 -19.152 415 HB3 ASP 100 HB3 ASP 100 9.364 -0.530 -19.369 416 H MET 101 H MET 101 8.510 -1.775 -22.929 417 HA MET 101 HA MET 101 6.626 -3.456 -21.425 418 HB2 MET 101 HB2 MET 101 4.951 -3.657 -23.140 419 HB3 MET 101 HB3 MET 101 5.122 -1.988 -22.638 420 HG2 MET 101 HG2 MET 101 6.536 -1.545 -24.643 421 HG3 MET 101 HG3 MET 101 6.215 -3.192 -25.187 422 HE1 MET 101 HE1 MET 101 5.521 -2.378 -27.371 423 HE2 MET 101 HE2 MET 101 3.994 -1.564 -27.755 424 HE3 MET 101 HE3 MET 101 5.361 -0.607 -27.153 425 H SER 102 H SER 102 9.365 -3.757 -22.105 426 HA SER 102 HA SER 102 9.687 -6.142 -23.726 427 HB2 SER 102 HB2 SER 102 11.038 -5.290 -21.129 428 HB3 SER 102 HB3 SER 102 11.645 -6.497 -22.294 429 HG SER 102 HG SER 102 12.644 -4.472 -22.573 430 H ASP 103 H ASP 103 9.514 -8.383 -22.929 431 HA ASP 103 HA ASP 103 7.180 -8.818 -21.416 432 HB2 ASP 103 HB2 ASP 103 9.433 -10.687 -22.207 433 HB3 ASP 103 HB3 ASP 103 7.974 -11.239 -21.374 434 H LYS 104 H LYS 104 10.522 -8.776 -20.215 435 HA LYS 104 HA LYS 104 9.936 -9.593 -17.496 436 HB2 LYS 104 HB2 LYS 104 12.134 -7.912 -18.760 437 HB3 LYS 104 HB3 LYS 104 11.990 -8.053 -17.014 438 HG2 LYS 104 HG2 LYS 104 13.584 -9.647 -17.734 439 HG3 LYS 104 HG3 LYS 104 12.164 -10.500 -17.134 440 HD2 LYS 104 HD2 LYS 104 11.463 -11.032 -19.432 441 HD3 LYS 104 HD3 LYS 104 12.800 -10.047 -20.086 442 HE2 LYS 104 HE2 LYS 104 14.430 -11.543 -18.919 443 HE3 LYS 104 HE3 LYS 104 13.092 -12.531 -18.326 444 HZ1 LYS 104 HZ1 LYS 104 13.780 -12.130 -21.202 445 HZ2 LYS 104 HZ2 LYS 104 14.077 -13.482 -20.340 446 HZ3 LYS 104 HZ3 LYS 104 12.537 -13.051 -20.661 447 H ALA 105 H ALA 105 9.715 -6.385 -19.054 448 HA ALA 105 HA ALA 105 8.923 -5.001 -16.630 449 HB1 ALA 105 HB1 ALA 105 8.472 -4.227 -19.547 450 HB2 ALA 105 HB2 ALA 105 8.358 -3.165 -18.135 451 HB3 ALA 105 HB3 ALA 105 9.926 -3.858 -18.588 452 H ILE 106 H ILE 106 7.084 -6.620 -19.256 453 HA ILE 106 HA ILE 106 4.437 -6.029 -18.246 454 HB ILE 106 HB ILE 106 5.364 -8.413 -19.876 455 HG12 ILE 106 HG12 ILE 106 4.093 -5.765 -20.733 456 HG13 ILE 106 HG13 ILE 106 5.797 -6.150 -20.920 457 HG21 ILE 106 HG21 ILE 106 2.570 -7.275 -19.382 458 HG22 ILE 106 HG22 ILE 106 2.957 -8.584 -20.516 459 HG23 ILE 106 HG23 ILE 106 3.177 -8.844 -18.789 460 HD11 ILE 106 HD11 ILE 106 3.489 -7.487 -22.355 461 HD12 ILE 106 HD12 ILE 106 4.778 -6.485 -23.025 462 HD13 ILE 106 HD13 ILE 106 5.162 -8.095 -22.392 463 H PHE 107 H PHE 107 6.580 -8.879 -17.552 464 HA PHE 107 HA PHE 107 4.801 -9.952 -15.586 465 HB2 PHE 107 HB2 PHE 107 7.813 -10.258 -15.848 466 HB3 PHE 107 HB3 PHE 107 6.766 -11.281 -14.877 467 HD1 PHE 107 HD2 PHE 107 4.485 -11.927 -16.590 468 HD2 PHE 107 HD1 PHE 107 8.664 -11.570 -17.594 469 HE1 PHE 107 HE2 PHE 107 4.188 -13.571 -18.422 470 HE2 PHE 107 HE1 PHE 107 8.342 -13.148 -19.482 471 HZ PHE 107 HZ PHE 107 6.118 -14.169 -19.883 472 H ARG 108 H ARG 108 7.348 -7.475 -15.193 473 HA ARG 108 HA ARG 108 7.101 -7.426 -12.266 474 HB2 ARG 108 HB2 ARG 108 8.386 -5.547 -14.286 475 HB3 ARG 108 HB3 ARG 108 8.413 -5.249 -12.557 476 HG2 ARG 108 HG2 ARG 108 9.629 -7.725 -13.871 477 HG3 ARG 108 HG3 ARG 108 10.494 -6.258 -13.440 478 HD2 ARG 108 HD2 ARG 108 10.971 -7.661 -11.669 479 HD3 ARG 108 HD3 ARG 108 9.663 -6.652 -11.033 480 HE ARG 108 HE ARG 108 8.815 -9.195 -12.271 481 HH11 ARG 108 HH11 ARG 108 9.926 -7.833 -9.242 482 HH12 ARG 108 HH12 ARG 108 9.180 -9.087 -8.291 483 HH21 ARG 108 HH21 ARG 108 7.837 -10.745 -10.993 484 HH22 ARG 108 HH22 ARG 108 8.046 -10.703 -9.270 485 H ARG 109 H ARG 109 5.624 -5.481 -14.854 486 HA ARG 109 HA ARG 109 4.175 -3.760 -12.962 487 HB2 ARG 109 HB2 ARG 109 3.878 -4.250 -15.955 488 HB3 ARG 109 HB3 ARG 109 2.953 -3.044 -15.076 489 HG2 ARG 109 HG2 ARG 109 5.998 -2.984 -15.069 490 HG3 ARG 109 HG3 ARG 109 5.058 -2.318 -16.394 491 HD2 ARG 109 HD2 ARG 109 5.615 -0.511 -14.918 492 HD3 ARG 109 HD3 ARG 109 3.885 -0.791 -14.859 493 HE ARG 109 HE ARG 109 4.028 -1.292 -12.624 494 HH11 ARG 109 HH11 ARG 109 7.329 -1.365 -13.821 495 HH12 ARG 109 HH12 ARG 109 7.995 -1.517 -12.221 496 HH21 ARG 109 HH21 ARG 109 4.947 -1.517 -10.626 497 HH22 ARG 109 HH22 ARG 109 6.674 -1.604 -10.460 498 H TYR 110 H TYR 110 3.407 -6.683 -14.752 499 HA TYR 110 HA TYR 110 0.842 -7.004 -13.254 500 HB2 TYR 110 HB2 TYR 110 1.394 -7.387 -16.217 501 HB3 TYR 110 HB3 TYR 110 -0.028 -7.965 -15.374 502 HD1 TYR 110 HD1 TYR 110 -1.645 -6.349 -14.324 503 HD2 TYR 110 HD2 TYR 110 1.503 -5.140 -17.019 504 HE1 TYR 110 HE1 TYR 110 -2.905 -4.273 -14.859 505 HE2 TYR 110 HE2 TYR 110 0.247 -3.045 -17.537 506 HH TYR 110 HH TYR 110 -2.931 -2.297 -16.055 507 HA PRO 111 HA PRO 111 3.560 -10.713 -12.747 508 HB2 PRO 111 HB2 PRO 111 2.812 -11.445 -10.212 509 HB3 PRO 111 HB3 PRO 111 3.973 -10.128 -10.557 510 HG2 PRO 111 HG2 PRO 111 0.997 -9.884 -10.004 511 HG3 PRO 111 HG3 PRO 111 2.341 -8.970 -9.246 512 HD2 PRO 111 HD2 PRO 111 0.916 -7.941 -11.308 513 HD3 PRO 111 HD3 PRO 111 2.684 -7.677 -11.203 514 H HIS 112 H HIS 112 0.079 -10.430 -12.697 515 HA HIS 112 HA HIS 112 -0.551 -13.216 -12.401 516 HB2 HIS 112 HB2 HIS 112 -2.740 -12.602 -12.885 517 HB3 HIS 112 HB3 HIS 112 -2.075 -11.242 -11.989 518 HD2 HIS 112 HD2 HIS 112 -3.768 -12.176 -15.201 519 HE1 HIS 112 HE1 HIS 112 -2.374 -8.209 -15.876 520 HE2 HIS 112 HE2 HIS 112 -3.841 -10.094 -16.798 521 H LEU 113 H LEU 113 0.857 -11.601 -15.118 522 HA LEU 113 HA LEU 113 -0.242 -13.358 -17.162 523 HB2 LEU 113 HB2 LEU 113 2.209 -11.544 -17.179 524 HB3 LEU 113 HB3 LEU 113 1.711 -12.526 -18.533 525 HG LEU 113 HG LEU 113 0.944 -10.397 -19.081 526 HD11 LEU 113 HD11 LEU 113 -1.533 -11.605 -17.784 527 HD12 LEU 113 HD12 LEU 113 -1.462 -10.521 -19.179 528 HD13 LEU 113 HD13 LEU 113 -0.852 -12.188 -19.315 529 HD21 LEU 113 HD21 LEU 113 1.272 -9.337 -17.049 530 HD22 LEU 113 HD22 LEU 113 -0.333 -8.934 -17.689 531 HD23 LEU 113 HD23 LEU 113 -0.177 -10.082 -16.335 532 H ARG 114 H ARG 114 1.903 -14.027 -14.650 533 HA ARG 114 HA ARG 114 2.868 -16.494 -16.033 534 HB2 ARG 114 HB2 ARG 114 4.051 -14.875 -13.771 535 HB3 ARG 114 HB3 ARG 114 4.369 -16.613 -13.898 536 HG2 ARG 114 HG2 ARG 114 5.259 -16.385 -16.141 537 HG3 ARG 114 HG3 ARG 114 4.819 -14.676 -16.190 538 HD2 ARG 114 HD2 ARG 114 6.433 -14.133 -14.466 539 HD3 ARG 114 HD3 ARG 114 6.805 -15.836 -14.201 540 HE ARG 114 HE ARG 114 7.555 -14.165 -16.550 541 HH11 ARG 114 HH11 ARG 114 7.781 -17.337 -15.066 542 HH12 ARG 114 HH12 ARG 114 9.058 -17.847 -16.135 543 HH21 ARG 114 HH21 ARG 114 9.211 -14.878 -17.854 544 HH22 ARG 114 HH22 ARG 114 9.839 -16.487 -17.670 Start of MODEL 13 1 H1 MET 1 H1 MET 1 21.206 -10.184 -11.780 2 H2 MET 1 H2 MET 1 22.380 -11.314 -11.808 3 H3 MET 1 H3 MET 1 22.626 -9.908 -11.011 4 HA MET 1 HA MET 1 20.672 -12.018 -10.295 5 HB2 MET 1 HB2 MET 1 23.241 -11.225 -8.862 6 HB3 MET 1 HB3 MET 1 21.951 -12.183 -8.133 7 HG2 MET 1 HG2 MET 1 22.201 -13.893 -9.917 8 HG3 MET 1 HG3 MET 1 23.514 -12.950 -10.624 9 HE1 MET 1 HE1 MET 1 22.378 -15.381 -7.812 10 HE2 MET 1 HE2 MET 1 23.742 -15.367 -6.675 11 HE3 MET 1 HE3 MET 1 22.676 -13.954 -6.788 12 H ARG 2 H ARG 2 22.110 -9.259 -8.397 13 HA ARG 2 HA ARG 2 19.457 -8.689 -7.264 14 HB2 ARG 2 HB2 ARG 2 22.135 -7.257 -6.984 15 HB3 ARG 2 HB3 ARG 2 20.657 -6.834 -6.111 16 HG2 ARG 2 HG2 ARG 2 20.585 -9.107 -5.104 17 HG3 ARG 2 HG3 ARG 2 22.097 -9.519 -5.933 18 HD2 ARG 2 HD2 ARG 2 23.246 -7.656 -4.761 19 HD3 ARG 2 HD3 ARG 2 21.760 -7.265 -3.898 20 HE ARG 2 HE ARG 2 23.587 -9.534 -3.441 21 HH11 ARG 2 HH11 ARG 2 20.408 -8.280 -2.627 22 HH12 ARG 2 HH12 ARG 2 20.278 -9.290 -1.214 23 HH21 ARG 2 HH21 ARG 2 23.351 -10.784 -1.633 24 HH22 ARG 2 HH22 ARG 2 21.908 -10.670 -0.670 25 H GLY 3 H GLY 3 21.603 -7.014 -9.549 26 HA2 GLY 3 HA2 GLY 3 19.534 -5.079 -10.374 27 HA3 GLY 3 HA3 GLY 3 21.133 -5.287 -11.084 28 H SER 4 H SER 4 18.847 -4.952 -12.615 29 HA SER 4 HA SER 4 18.864 -7.352 -14.308 30 HB2 SER 4 HB2 SER 4 16.380 -7.467 -14.438 31 HB3 SER 4 HB3 SER 4 17.033 -7.956 -12.869 32 HG SER 4 HG SER 4 15.230 -6.568 -12.608 33 H HIS 5 H HIS 5 16.953 -4.381 -13.866 34 HA HIS 5 HA HIS 5 16.609 -2.519 -15.124 35 HB2 HIS 5 HB2 HIS 5 19.538 -2.943 -15.788 36 HB3 HIS 5 HB3 HIS 5 18.654 -1.426 -15.929 37 HD2 HIS 5 HD2 HIS 5 18.112 -0.051 -13.724 38 HE1 HIS 5 HE1 HIS 5 20.250 -2.498 -10.960 39 HE2 HIS 5 HE2 HIS 5 19.042 -0.278 -11.269 40 H HIS 6 H HIS 6 15.768 -4.875 -16.504 41 HA HIS 6 HA HIS 6 16.249 -4.505 -19.348 42 HB2 HIS 6 HB2 HIS 6 14.037 -6.010 -17.893 43 HB3 HIS 6 HB3 HIS 6 14.400 -6.120 -19.616 44 HD2 HIS 6 HD2 HIS 6 16.855 -7.237 -20.287 45 HE1 HIS 6 HE1 HIS 6 17.337 -9.327 -16.600 46 HE2 HIS 6 HE2 HIS 6 18.183 -9.110 -18.992 47 H HIS 7 H HIS 7 14.928 -3.568 -20.895 48 HA HIS 7 HA HIS 7 12.637 -1.857 -20.003 49 HB2 HIS 7 HB2 HIS 7 15.164 -0.942 -21.412 50 HB3 HIS 7 HB3 HIS 7 13.655 -0.054 -21.495 51 HD2 HIS 7 HD2 HIS 7 16.698 -0.381 -19.393 52 HE1 HIS 7 HE1 HIS 7 13.911 1.690 -16.915 53 HE2 HIS 7 HE2 HIS 7 16.355 1.022 -17.189 54 H HIS 8 H HIS 8 14.439 -2.264 -23.030 55 HA HIS 8 HA HIS 8 13.937 -2.685 -25.135 56 HB2 HIS 8 HB2 HIS 8 13.493 -4.915 -24.064 57 HB3 HIS 8 HB3 HIS 8 11.765 -4.532 -24.175 58 HD2 HIS 8 HD2 HIS 8 10.675 -5.603 -26.226 59 HE1 HIS 8 HE1 HIS 8 13.860 -5.287 -29.043 60 HE2 HIS 8 HE2 HIS 8 11.442 -6.014 -28.704 61 H HIS 9 H HIS 9 12.694 -2.435 -26.987 62 HA HIS 9 HA HIS 9 10.320 -0.638 -26.700 63 HB2 HIS 9 HB2 HIS 9 12.283 0.614 -27.411 64 HB3 HIS 9 HB3 HIS 9 12.564 -0.521 -28.736 65 HD2 HIS 9 HD2 HIS 9 11.504 0.147 -31.008 66 HE1 HIS 9 HE1 HIS 9 8.380 2.716 -29.649 67 HE2 HIS 9 HE2 HIS 9 9.526 1.745 -31.708 68 H HIS 10 H HIS 10 8.571 -1.083 -27.793 69 HA HIS 10 HA HIS 10 8.445 -2.822 -30.147 70 HB2 HIS 10 HB2 HIS 10 7.288 -3.571 -27.434 71 HB3 HIS 10 HB3 HIS 10 6.411 -4.009 -28.884 72 HD2 HIS 10 HD2 HIS 10 8.753 -5.077 -30.755 73 HE1 HIS 10 HE1 HIS 10 9.161 -8.022 -27.702 74 HE2 HIS 10 HE2 HIS 10 9.630 -7.479 -30.148 75 H GLY 11 H GLY 11 6.122 -2.824 -30.993 76 HA2 GLY 11 HA2 GLY 11 4.243 -0.937 -29.831 77 HA3 GLY 11 HA3 GLY 11 4.877 -0.377 -31.380 78 H SER 12 H SER 12 2.212 -1.567 -30.239 79 HA SER 12 HA SER 12 1.455 -2.945 -32.722 80 HB2 SER 12 HB2 SER 12 0.430 -4.876 -31.496 81 HB3 SER 12 HB3 SER 12 2.192 -4.873 -31.563 82 HG SER 12 HG SER 12 0.761 -3.832 -29.339 83 H GLY 58 H GLY 58 0.052 -1.312 -33.187 84 HA2 GLY 58 HA2 GLY 58 -1.949 -0.277 -31.332 85 HA3 GLY 58 HA3 GLY 58 -1.831 0.038 -33.063 86 H ALA 59 H ALA 59 -3.202 -1.987 -30.596 87 HA ALA 59 HA ALA 59 -5.141 -3.234 -32.473 88 HB1 ALA 59 HB1 ALA 59 -3.303 -4.762 -30.564 89 HB2 ALA 59 HB2 ALA 59 -4.570 -5.478 -31.582 90 HB3 ALA 59 HB3 ALA 59 -3.154 -4.731 -32.333 91 H LEU 60 H LEU 60 -6.637 -4.741 -31.062 92 HA LEU 60 HA LEU 60 -7.592 -3.288 -28.649 93 HB2 LEU 60 HB2 LEU 60 -8.704 -5.723 -30.097 94 HB3 LEU 60 HB3 LEU 60 -9.455 -4.917 -28.724 95 HG LEU 60 HG LEU 60 -9.023 -3.678 -31.481 96 HD11 LEU 60 HD11 LEU 60 -11.555 -4.629 -30.078 97 HD12 LEU 60 HD12 LEU 60 -11.464 -3.848 -31.673 98 HD13 LEU 60 HD13 LEU 60 -10.744 -5.446 -31.433 99 HD21 LEU 60 HD21 LEU 60 -8.986 -1.918 -29.770 100 HD22 LEU 60 HD22 LEU 60 -10.517 -1.872 -30.645 101 HD23 LEU 60 HD23 LEU 60 -10.456 -2.584 -29.018 102 H ALA 61 H ALA 61 -7.743 -4.284 -26.607 103 HA ALA 61 HA ALA 61 -6.088 -6.744 -26.179 104 HB1 ALA 61 HB1 ALA 61 -6.442 -4.342 -24.343 105 HB2 ALA 61 HB2 ALA 61 -5.575 -5.838 -23.939 106 HB3 ALA 61 HB3 ALA 61 -4.966 -4.788 -25.230 107 H ALA 62 H ALA 62 -7.038 -8.419 -25.165 108 HA ALA 62 HA ALA 62 -9.865 -8.212 -24.327 109 HB1 ALA 62 HB1 ALA 62 -7.991 -10.601 -24.484 110 HB2 ALA 62 HB2 ALA 62 -9.726 -10.652 -24.120 111 HB3 ALA 62 HB3 ALA 62 -9.173 -10.114 -25.718 112 H LEU 63 H LEU 63 -10.592 -8.485 -22.256 113 HA LEU 63 HA LEU 63 -8.590 -8.518 -20.039 114 HB2 LEU 63 HB2 LEU 63 -11.226 -7.023 -20.028 115 HB3 LEU 63 HB3 LEU 63 -9.982 -6.991 -18.788 116 HG LEU 63 HG LEU 63 -9.774 -5.782 -21.581 117 HD11 LEU 63 HD11 LEU 63 -9.988 -4.476 -18.840 118 HD12 LEU 63 HD12 LEU 63 -9.857 -3.643 -20.404 119 HD13 LEU 63 HD13 LEU 63 -11.299 -4.600 -20.035 120 HD21 LEU 63 HD21 LEU 63 -7.539 -6.406 -20.895 121 HD22 LEU 63 HD22 LEU 63 -7.738 -4.667 -20.720 122 HD23 LEU 63 HD23 LEU 63 -7.792 -5.700 -19.272 123 H HIS 64 H HIS 64 -9.288 -9.505 -18.068 124 HA HIS 64 HA HIS 64 -11.346 -11.612 -18.257 125 HB2 HIS 64 HB2 HIS 64 -9.814 -10.485 -15.907 126 HB3 HIS 64 HB3 HIS 64 -10.925 -11.839 -15.802 127 HD2 HIS 64 HD2 HIS 64 -7.330 -11.056 -16.375 128 HE1 HIS 64 HE1 HIS 64 -7.772 -15.141 -17.509 129 HE2 HIS 64 HE2 HIS 64 -6.090 -13.306 -16.971 130 H ALA 65 H ALA 65 -13.489 -11.428 -17.653 131 HA ALA 65 HA ALA 65 -14.488 -8.703 -17.198 132 HB1 ALA 65 HB1 ALA 65 -15.937 -11.335 -17.684 133 HB2 ALA 65 HB2 ALA 65 -16.649 -9.710 -17.748 134 HB3 ALA 65 HB3 ALA 65 -15.421 -10.180 -18.941 135 H ASP 66 H ASP 66 -14.021 -11.537 -15.195 136 HA ASP 66 HA ASP 66 -15.484 -10.336 -12.920 137 HB2 ASP 66 HB2 ASP 66 -17.116 -11.605 -14.344 138 HB3 ASP 66 HB3 ASP 66 -16.144 -13.055 -14.116 139 H GLY 67 H GLY 67 -15.311 -11.758 -10.937 140 HA2 GLY 67 HA2 GLY 67 -14.209 -13.099 -9.422 141 HA3 GLY 67 HA3 GLY 67 -13.436 -13.891 -10.779 142 HA PRO 68 HA PRO 68 -10.120 -12.119 -8.154 143 HB2 PRO 68 HB2 PRO 68 -7.965 -13.443 -9.348 144 HB3 PRO 68 HB3 PRO 68 -9.041 -14.140 -8.094 145 HG2 PRO 68 HG2 PRO 68 -9.179 -14.452 -11.103 146 HG3 PRO 68 HG3 PRO 68 -9.324 -15.721 -9.845 147 HD2 PRO 68 HD2 PRO 68 -11.502 -14.666 -11.017 148 HD3 PRO 68 HD3 PRO 68 -11.514 -15.016 -9.260 149 H HIS 69 H HIS 69 -10.041 -12.160 -11.674 150 HA HIS 69 HA HIS 69 -7.963 -10.013 -11.778 151 HB2 HIS 69 HB2 HIS 69 -8.623 -12.299 -13.632 152 HB3 HIS 69 HB3 HIS 69 -7.477 -11.024 -14.004 153 HD2 HIS 69 HD2 HIS 69 -6.363 -13.770 -14.050 154 HE1 HIS 69 HE1 HIS 69 -4.505 -12.985 -10.308 155 HE2 HIS 69 HE2 HIS 69 -4.506 -14.528 -12.329 156 H ALA 70 H ALA 70 -11.091 -9.709 -11.740 157 HA ALA 70 HA ALA 70 -12.007 -8.909 -14.236 158 HB1 ALA 70 HB1 ALA 70 -12.691 -7.689 -11.535 159 HB2 ALA 70 HB2 ALA 70 -13.674 -7.593 -13.014 160 HB3 ALA 70 HB3 ALA 70 -13.402 -9.161 -12.230 161 H GLY 71 H GLY 71 -11.446 -7.412 -15.653 162 HA2 GLY 71 HA2 GLY 71 -10.901 -5.315 -16.519 163 HA3 GLY 71 HA3 GLY 71 -10.484 -4.725 -14.913 164 H LEU 72 H LEU 72 -8.747 -7.562 -15.093 165 HA LEU 72 HA LEU 72 -6.278 -6.205 -15.937 166 HB2 LEU 72 HB2 LEU 72 -6.690 -9.093 -15.104 167 HB3 LEU 72 HB3 LEU 72 -5.162 -8.265 -15.297 168 HG LEU 72 HG LEU 72 -7.192 -7.721 -13.108 169 HD11 LEU 72 HD11 LEU 72 -4.354 -8.802 -12.936 170 HD12 LEU 72 HD12 LEU 72 -5.589 -8.771 -11.665 171 HD13 LEU 72 HD13 LEU 72 -5.752 -9.864 -13.055 172 HD21 LEU 72 HD21 LEU 72 -6.050 -5.626 -13.675 173 HD22 LEU 72 HD22 LEU 72 -5.433 -6.262 -12.146 174 HD23 LEU 72 HD23 LEU 72 -4.470 -6.446 -13.629 175 HA PRO 73 HA PRO 73 -6.234 -7.896 -20.125 176 HB2 PRO 73 HB2 PRO 73 -3.532 -8.188 -20.553 177 HB3 PRO 73 HB3 PRO 73 -4.372 -6.607 -20.583 178 HG2 PRO 73 HG2 PRO 73 -2.841 -7.916 -18.314 179 HG3 PRO 73 HG3 PRO 73 -2.716 -6.225 -18.896 180 HD2 PRO 73 HD2 PRO 73 -4.201 -6.841 -16.733 181 HD3 PRO 73 HD3 PRO 73 -4.767 -5.616 -17.895 182 H VAL 74 H VAL 74 -6.146 -9.942 -21.158 183 HA VAL 74 HA VAL 74 -5.833 -12.162 -19.281 184 HB VAL 74 HB VAL 74 -6.599 -12.375 -22.204 185 HG11 VAL 74 HG11 VAL 74 -6.967 -14.202 -19.797 186 HG12 VAL 74 HG12 VAL 74 -7.658 -14.483 -21.410 187 HG13 VAL 74 HG13 VAL 74 -5.907 -14.511 -21.191 188 HG21 VAL 74 HG21 VAL 74 -8.207 -10.909 -21.045 189 HG22 VAL 74 HG22 VAL 74 -8.932 -12.483 -21.357 190 HG23 VAL 74 HG23 VAL 74 -8.353 -12.084 -19.724 191 H THR 75 H THR 75 -4.188 -11.376 -22.436 192 HA THR 75 HA THR 75 -2.078 -13.343 -21.730 193 HB THR 75 HB THR 75 -1.576 -13.434 -24.021 194 HG1 THR 75 HG1 THR 75 -2.875 -12.053 -25.483 195 HG21 THR 75 HG21 THR 75 -4.606 -13.282 -23.949 196 HG22 THR 75 HG22 THR 75 -3.589 -14.197 -25.079 197 HG23 THR 75 HG23 THR 75 -3.648 -14.664 -23.371 198 H ARG 76 H ARG 76 0.147 -12.881 -22.528 199 HA ARG 76 HA ARG 76 1.368 -10.466 -21.565 200 HB2 ARG 76 HB2 ARG 76 2.220 -12.529 -23.652 201 HB3 ARG 76 HB3 ARG 76 3.274 -11.219 -23.118 202 HG2 ARG 76 HG2 ARG 76 3.511 -12.069 -20.942 203 HG3 ARG 76 HG3 ARG 76 2.061 -13.075 -21.054 204 HD2 ARG 76 HD2 ARG 76 4.080 -14.460 -21.158 205 HD3 ARG 76 HD3 ARG 76 3.117 -14.571 -22.635 206 HE ARG 76 HE ARG 76 5.342 -12.594 -22.681 207 HH11 ARG 76 HH11 ARG 76 4.492 -15.903 -23.556 208 HH12 ARG 76 HH12 ARG 76 5.727 -15.958 -24.781 209 HH21 ARG 76 HH21 ARG 76 6.799 -12.723 -24.152 210 HH22 ARG 76 HH22 ARG 76 7.047 -14.173 -25.129 211 H SER 77 H SER 77 0.182 -11.293 -24.843 212 HA SER 77 HA SER 77 0.926 -8.766 -26.020 213 HB2 SER 77 HB2 SER 77 -1.046 -10.920 -26.826 214 HB3 SER 77 HB3 SER 77 -0.848 -9.417 -27.751 215 HG SER 77 HG SER 77 0.548 -11.311 -28.345 216 H ASP 78 H ASP 78 -2.171 -9.816 -24.431 217 HA ASP 78 HA ASP 78 -3.524 -7.334 -24.895 218 HB2 ASP 78 HB2 ASP 78 -3.734 -9.239 -22.537 219 HB3 ASP 78 HB3 ASP 78 -4.843 -7.915 -22.871 220 H ALA 79 H ALA 79 -1.337 -8.306 -22.208 221 HA ALA 79 HA ALA 79 -1.435 -5.822 -20.779 222 HB1 ALA 79 HB1 ALA 79 0.758 -7.896 -20.893 223 HB2 ALA 79 HB2 ALA 79 0.475 -6.671 -19.618 224 HB3 ALA 79 HB3 ALA 79 -0.688 -7.983 -19.873 225 H ARG 80 H ARG 80 0.891 -6.915 -23.307 226 HA ARG 80 HA ARG 80 2.405 -4.489 -23.468 227 HB2 ARG 80 HB2 ARG 80 2.932 -6.765 -24.503 228 HB3 ARG 80 HB3 ARG 80 1.720 -6.410 -25.732 229 HG2 ARG 80 HG2 ARG 80 3.074 -4.283 -26.279 230 HG3 ARG 80 HG3 ARG 80 4.314 -4.900 -25.177 231 HD2 ARG 80 HD2 ARG 80 4.927 -5.451 -27.442 232 HD3 ARG 80 HD3 ARG 80 4.510 -6.942 -26.607 233 HE ARG 80 HE ARG 80 2.757 -5.450 -28.573 234 HH11 ARG 80 HH11 ARG 80 3.659 -8.582 -27.239 235 HH12 ARG 80 HH12 ARG 80 2.309 -9.383 -28.008 236 HH21 ARG 80 HH21 ARG 80 1.214 -6.521 -29.606 237 HH22 ARG 80 HH22 ARG 80 1.082 -8.268 -29.498 238 H VAL 81 H VAL 81 -0.627 -5.411 -25.145 239 HA VAL 81 HA VAL 81 -0.700 -3.022 -26.804 240 HB VAL 81 HB VAL 81 -2.743 -5.170 -26.156 241 HG11 VAL 81 HG11 VAL 81 -3.001 -2.847 -28.114 242 HG12 VAL 81 HG12 VAL 81 -4.064 -4.268 -28.057 243 HG13 VAL 81 HG13 VAL 81 -4.032 -3.144 -26.699 244 HG21 VAL 81 HG21 VAL 81 -0.733 -5.725 -27.651 245 HG22 VAL 81 HG22 VAL 81 -2.314 -5.925 -28.414 246 HG23 VAL 81 HG23 VAL 81 -1.325 -4.498 -28.776 247 H LEU 82 H LEU 82 -2.112 -3.900 -23.638 248 HA LEU 82 HA LEU 82 -3.565 -1.423 -23.279 249 HB2 LEU 82 HB2 LEU 82 -2.322 -3.387 -21.315 250 HB3 LEU 82 HB3 LEU 82 -3.074 -1.900 -20.781 251 HG LEU 82 HG LEU 82 -4.468 -4.220 -22.153 252 HD11 LEU 82 HD11 LEU 82 -4.842 -2.894 -19.431 253 HD12 LEU 82 HD12 LEU 82 -5.578 -4.404 -20.004 254 HD13 LEU 82 HD13 LEU 82 -3.834 -4.323 -19.705 255 HD21 LEU 82 HD21 LEU 82 -5.568 -2.214 -22.998 256 HD22 LEU 82 HD22 LEU 82 -6.570 -2.918 -21.735 257 HD23 LEU 82 HD23 LEU 82 -5.581 -1.491 -21.370 258 H ILE 83 H ILE 83 -0.215 -2.303 -22.229 259 HA ILE 83 HA ILE 83 0.484 0.269 -21.235 260 HB ILE 83 HB ILE 83 2.187 -1.898 -22.529 261 HG12 ILE 83 HG12 ILE 83 2.025 -1.050 -19.602 262 HG13 ILE 83 HG13 ILE 83 0.975 -2.286 -20.277 263 HG21 ILE 83 HG21 ILE 83 3.087 0.698 -21.189 264 HG22 ILE 83 HG22 ILE 83 4.159 -0.679 -21.468 265 HG23 ILE 83 HG23 ILE 83 3.457 0.162 -22.843 266 HD11 ILE 83 HD11 ILE 83 4.006 -2.447 -20.109 267 HD12 ILE 83 HD12 ILE 83 2.814 -3.392 -19.207 268 HD13 ILE 83 HD13 ILE 83 2.972 -3.618 -20.959 269 H PHE 84 H PHE 84 0.840 -1.037 -24.564 270 HA PHE 84 HA PHE 84 1.990 1.285 -25.664 271 HB2 PHE 84 HB2 PHE 84 1.973 -1.009 -26.649 272 HB3 PHE 84 HB3 PHE 84 0.282 -0.807 -27.063 273 HD1 PHE 84 HD1 PHE 84 3.582 0.975 -27.451 274 HD2 PHE 84 HD2 PHE 84 -0.269 0.099 -29.172 275 HE1 PHE 84 HE1 PHE 84 4.275 2.111 -29.522 276 HE2 PHE 84 HE2 PHE 84 0.427 1.250 -31.278 277 HZ PHE 84 HZ PHE 84 2.699 2.243 -31.461 278 H ASN 85 H ASN 85 -1.499 0.290 -25.951 279 HA ASN 85 HA ASN 85 -2.271 2.653 -27.327 280 HB2 ASN 85 HB2 ASN 85 -3.560 0.541 -27.296 281 HB3 ASN 85 HB3 ASN 85 -3.919 0.764 -25.584 282 HD21 ASN 85 HD22 ASN 85 -5.722 2.062 -25.039 283 HD22 ASN 85 HD21 ASN 85 -6.621 2.965 -26.244 284 H ASP 86 H ASP 86 -2.274 1.970 -23.775 285 HA ASP 86 HA ASP 86 -3.469 4.475 -23.021 286 HB2 ASP 86 HB2 ASP 86 -3.237 2.493 -21.510 287 HB3 ASP 86 HB3 ASP 86 -1.496 2.789 -21.436 288 H TRP 87 H TRP 87 0.021 3.479 -23.308 289 HA TRP 87 HA TRP 87 1.143 6.035 -22.796 290 HB2 TRP 87 HB2 TRP 87 2.631 4.186 -22.895 291 HB3 TRP 87 HB3 TRP 87 2.055 3.704 -24.489 292 HD1 TRP 87 HD1 TRP 87 4.258 6.422 -22.871 293 HE1 TRP 87 HE1 TRP 87 5.871 7.324 -24.672 294 HE3 TRP 87 HE3 TRP 87 2.288 4.135 -27.035 295 HZ2 TRP 87 HZ2 TRP 87 6.356 6.953 -27.460 296 HZ3 TRP 87 HZ3 TRP 87 3.310 4.497 -29.257 297 HH2 TRP 87 HH2 TRP 87 5.364 5.878 -29.488 298 H GLU 88 H GLU 88 -0.001 4.692 -25.997 299 HA GLU 88 HA GLU 88 0.827 6.897 -27.497 300 HB2 GLU 88 HB2 GLU 88 -0.271 4.503 -28.075 301 HB3 GLU 88 HB3 GLU 88 -1.713 5.485 -28.279 302 HG2 GLU 88 HG2 GLU 88 1.000 5.920 -29.608 303 HG3 GLU 88 HG3 GLU 88 -0.349 5.055 -30.327 304 H GLU 89 H GLU 89 -2.379 6.421 -25.846 305 HA GLU 89 HA GLU 89 -3.458 8.957 -26.623 306 HB2 GLU 89 HB2 GLU 89 -4.756 7.023 -25.770 307 HB3 GLU 89 HB3 GLU 89 -4.016 7.226 -24.172 308 HG2 GLU 89 HG2 GLU 89 -4.979 9.460 -23.982 309 HG3 GLU 89 HG3 GLU 89 -5.627 9.355 -25.624 310 H ARG 90 H ARG 90 -1.650 7.958 -23.662 311 HA ARG 90 HA ARG 90 -1.657 10.553 -22.417 312 HB2 ARG 90 HB2 ARG 90 0.414 8.351 -22.109 313 HB3 ARG 90 HB3 ARG 90 0.123 9.691 -21.008 314 HG2 ARG 90 HG2 ARG 90 -2.307 8.064 -21.394 315 HG3 ARG 90 HG3 ARG 90 -0.926 7.109 -20.862 316 HD2 ARG 90 HD2 ARG 90 -2.056 9.540 -19.455 317 HD3 ARG 90 HD3 ARG 90 -2.300 7.860 -18.985 318 HE ARG 90 HE ARG 90 -0.043 9.525 -18.364 319 HH11 ARG 90 HH11 ARG 90 -0.732 6.077 -18.975 320 HH12 ARG 90 HH12 ARG 90 0.595 5.604 -17.959 321 HH21 ARG 90 HH21 ARG 90 1.617 8.771 -17.132 322 HH22 ARG 90 HH22 ARG 90 1.894 7.065 -16.974 323 H LYS 91 H LYS 91 0.463 9.152 -24.846 324 HA LYS 91 HA LYS 91 2.446 11.271 -24.838 325 HB2 LYS 91 HB2 LYS 91 2.976 8.982 -25.438 326 HB3 LYS 91 HB3 LYS 91 1.826 8.998 -26.760 327 HG2 LYS 91 HG2 LYS 91 3.944 11.113 -26.888 328 HG3 LYS 91 HG3 LYS 91 4.521 9.446 -26.965 329 HD2 LYS 91 HD2 LYS 91 3.004 8.934 -28.825 330 HD3 LYS 91 HD3 LYS 91 2.364 10.595 -28.787 331 HE2 LYS 91 HE2 LYS 91 4.646 11.475 -29.265 332 HE3 LYS 91 HE3 LYS 91 5.278 9.825 -29.298 333 HZ1 LYS 91 HZ1 LYS 91 3.238 10.908 -31.186 334 HZ2 LYS 91 HZ2 LYS 91 4.804 10.627 -31.546 335 HZ3 LYS 91 HZ3 LYS 91 3.811 9.375 -31.213 336 H ARG 92 H ARG 92 -0.539 10.642 -26.748 337 HA ARG 92 HA ARG 92 -0.335 12.932 -28.413 338 HB2 ARG 92 HB2 ARG 92 -1.972 10.831 -28.381 339 HB3 ARG 92 HB3 ARG 92 -2.984 11.877 -27.368 340 HG2 ARG 92 HG2 ARG 92 -2.846 13.620 -29.171 341 HG3 ARG 92 HG3 ARG 92 -1.870 12.481 -30.125 342 HD2 ARG 92 HD2 ARG 92 -3.755 10.870 -30.129 343 HD3 ARG 92 HD3 ARG 92 -4.748 11.998 -29.210 344 HE ARG 92 HE ARG 92 -4.019 12.122 -32.063 345 HH11 ARG 92 HH11 ARG 92 -5.430 13.998 -29.446 346 HH12 ARG 92 HH12 ARG 92 -6.173 15.124 -30.546 347 HH21 ARG 92 HH21 ARG 92 -4.996 13.592 -33.392 348 HH22 ARG 92 HH22 ARG 92 -5.933 14.895 -32.721 349 H SER 93 H SER 93 -1.716 12.584 -25.087 350 HA SER 93 HA SER 93 -2.357 15.445 -25.004 351 HB2 SER 93 HB2 SER 93 -3.054 15.039 -22.711 352 HB3 SER 93 HB3 SER 93 -3.794 13.913 -23.861 353 HG SER 93 HG SER 93 -3.019 12.879 -21.936 354 H GLU 94 H GLU 94 0.331 13.495 -23.697 355 HA GLU 94 HA GLU 94 1.778 15.989 -22.895 356 HB2 GLU 94 HB2 GLU 94 1.662 13.321 -21.453 357 HB3 GLU 94 HB3 GLU 94 2.720 14.668 -21.063 358 HG2 GLU 94 HG2 GLU 94 0.714 16.118 -20.710 359 HG3 GLU 94 HG3 GLU 94 -0.324 14.713 -20.965 360 HA PRO 95 HA PRO 95 3.988 13.938 -26.211 361 HB2 PRO 95 HB2 PRO 95 5.732 15.915 -26.996 362 HB3 PRO 95 HB3 PRO 95 3.972 15.944 -27.311 363 HG2 PRO 95 HG2 PRO 95 5.470 17.263 -25.019 364 HG3 PRO 95 HG3 PRO 95 4.278 18.011 -26.135 365 HD2 PRO 95 HD2 PRO 95 3.521 17.110 -23.704 366 HD3 PRO 95 HD3 PRO 95 2.470 16.839 -25.128 367 H TRP 96 H TRP 96 5.537 14.692 -23.269 368 HA TRP 96 HA TRP 96 8.227 13.768 -23.966 369 HB2 TRP 96 HB2 TRP 96 8.628 14.172 -21.550 370 HB3 TRP 96 HB3 TRP 96 7.995 15.555 -22.418 371 HD1 TRP 96 HD1 TRP 96 6.613 12.722 -20.158 372 HE1 TRP 96 HE1 TRP 96 4.701 13.673 -18.716 373 HE3 TRP 96 HE3 TRP 96 6.327 17.422 -22.183 374 HZ2 TRP 96 HZ2 TRP 96 3.230 16.151 -18.494 375 HZ3 TRP 96 HZ3 TRP 96 4.615 19.035 -21.380 376 HH2 TRP 96 HH2 TRP 96 3.069 18.413 -19.537 377 H LEU 97 H LEU 97 5.418 12.010 -23.415 378 HA LEU 97 HA LEU 97 6.086 10.302 -21.357 379 HB2 LEU 97 HB2 LEU 97 3.888 10.664 -22.902 380 HB3 LEU 97 HB3 LEU 97 4.463 9.214 -23.646 381 HG LEU 97 HG LEU 97 3.089 8.255 -22.139 382 HD11 LEU 97 HD11 LEU 97 5.263 8.794 -20.059 383 HD12 LEU 97 HD12 LEU 97 4.053 7.501 -20.051 384 HD13 LEU 97 HD13 LEU 97 5.326 7.484 -21.265 385 HD21 LEU 97 HD21 LEU 97 2.257 10.414 -21.341 386 HD22 LEU 97 HD22 LEU 97 2.361 9.180 -20.067 387 HD23 LEU 97 HD23 LEU 97 3.578 10.487 -20.157 388 H ARG 98 H ARG 98 7.670 8.796 -21.086 389 HA ARG 98 HA ARG 98 8.970 7.517 -23.401 390 HB2 ARG 98 HB2 ARG 98 10.336 8.421 -21.560 391 HB3 ARG 98 HB3 ARG 98 9.548 7.326 -20.413 392 HG2 ARG 98 HG2 ARG 98 10.420 5.384 -21.656 393 HG3 ARG 98 HG3 ARG 98 11.197 6.449 -22.834 394 HD2 ARG 98 HD2 ARG 98 12.751 7.260 -21.184 395 HD3 ARG 98 HD3 ARG 98 11.837 6.501 -19.866 396 HE ARG 98 HE ARG 98 12.291 4.292 -20.970 397 HH11 ARG 98 HH11 ARG 98 14.745 6.803 -21.260 398 HH12 ARG 98 HH12 ARG 98 15.965 5.634 -21.713 399 HH21 ARG 98 HH21 ARG 98 13.740 2.991 -21.678 400 HH22 ARG 98 HH22 ARG 98 15.430 3.454 -21.890 401 H LEU 99 H LEU 99 8.903 5.427 -23.979 402 HA LEU 99 HA LEU 99 6.916 3.629 -22.657 403 HB2 LEU 99 HB2 LEU 99 6.244 4.445 -24.796 404 HB3 LEU 99 HB3 LEU 99 7.737 3.971 -25.562 405 HG LEU 99 HG LEU 99 5.684 2.656 -26.076 406 HD11 LEU 99 HD11 LEU 99 7.843 0.886 -24.854 407 HD12 LEU 99 HD12 LEU 99 6.790 0.544 -26.230 408 HD13 LEU 99 HD13 LEU 99 8.036 1.774 -26.379 409 HD21 LEU 99 HD21 LEU 99 4.704 2.574 -23.822 410 HD22 LEU 99 HD22 LEU 99 4.806 1.005 -24.632 411 HD23 LEU 99 HD23 LEU 99 5.955 1.400 -23.335 412 H ASP 100 H ASP 100 7.783 1.858 -21.717 413 HA ASP 100 HA ASP 100 9.989 0.383 -23.031 414 HB2 ASP 100 HB2 ASP 100 9.937 0.866 -20.023 415 HB3 ASP 100 HB3 ASP 100 11.106 -0.091 -20.931 416 H MET 101 H MET 101 9.311 -1.765 -23.249 417 HA MET 101 HA MET 101 7.497 -2.968 -21.302 418 HB2 MET 101 HB2 MET 101 5.589 -3.356 -22.745 419 HB3 MET 101 HB3 MET 101 5.859 -1.666 -22.379 420 HG2 MET 101 HG2 MET 101 6.749 -1.240 -24.590 421 HG3 MET 101 HG3 MET 101 6.629 -2.954 -25.009 422 HE1 MET 101 HE1 MET 101 5.554 -2.210 -27.083 423 HE2 MET 101 HE2 MET 101 3.866 -1.737 -27.288 424 HE3 MET 101 HE3 MET 101 5.073 -0.516 -26.821 425 H SER 102 H SER 102 9.887 -3.981 -21.764 426 HA SER 102 HA SER 102 9.933 -6.296 -23.468 427 HB2 SER 102 HB2 SER 102 11.618 -7.124 -21.918 428 HB3 SER 102 HB3 SER 102 11.889 -5.395 -22.177 429 HG SER 102 HG SER 102 11.954 -5.590 -20.010 430 H ASP 103 H ASP 103 9.644 -8.588 -22.732 431 HA ASP 103 HA ASP 103 7.212 -9.187 -21.352 432 HB2 ASP 103 HB2 ASP 103 9.728 -10.786 -21.921 433 HB3 ASP 103 HB3 ASP 103 8.395 -11.462 -20.993 434 H LYS 104 H LYS 104 10.519 -8.717 -20.100 435 HA LYS 104 HA LYS 104 9.978 -9.515 -17.368 436 HB2 LYS 104 HB2 LYS 104 12.093 -7.742 -18.659 437 HB3 LYS 104 HB3 LYS 104 11.942 -7.871 -16.913 438 HG2 LYS 104 HG2 LYS 104 13.629 -9.377 -17.582 439 HG3 LYS 104 HG3 LYS 104 12.250 -10.318 -17.021 440 HD2 LYS 104 HD2 LYS 104 11.646 -10.889 -19.331 441 HD3 LYS 104 HD3 LYS 104 12.915 -9.801 -19.957 442 HE2 LYS 104 HE2 LYS 104 14.641 -11.171 -18.799 443 HE3 LYS 104 HE3 LYS 104 13.382 -12.247 -18.184 444 HZ1 LYS 104 HZ1 LYS 104 14.020 -11.848 -21.073 445 HZ2 LYS 104 HZ2 LYS 104 14.426 -13.155 -20.187 446 HZ3 LYS 104 HZ3 LYS 104 12.856 -12.852 -20.501 447 H ALA 105 H ALA 105 9.776 -6.296 -18.978 448 HA ALA 105 HA ALA 105 8.851 -4.904 -16.651 449 HB1 ALA 105 HB1 ALA 105 8.388 -4.322 -19.607 450 HB2 ALA 105 HB2 ALA 105 8.186 -3.170 -18.270 451 HB3 ALA 105 HB3 ALA 105 9.797 -3.811 -18.655 452 H ILE 106 H ILE 106 7.028 -6.622 -19.230 453 HA ILE 106 HA ILE 106 4.377 -6.048 -18.232 454 HB ILE 106 HB ILE 106 5.404 -8.337 -19.927 455 HG12 ILE 106 HG12 ILE 106 3.792 -5.885 -20.775 456 HG13 ILE 106 HG13 ILE 106 5.544 -5.858 -20.773 457 HG21 ILE 106 HG21 ILE 106 2.548 -7.423 -19.316 458 HG22 ILE 106 HG22 ILE 106 2.978 -8.591 -20.579 459 HG23 ILE 106 HG23 ILE 106 3.264 -8.993 -18.885 460 HD11 ILE 106 HD11 ILE 106 3.817 -7.709 -22.450 461 HD12 ILE 106 HD12 ILE 106 4.807 -6.342 -22.995 462 HD13 ILE 106 HD13 ILE 106 5.590 -7.790 -22.344 463 H PHE 107 H PHE 107 6.504 -8.928 -17.546 464 HA PHE 107 HA PHE 107 4.677 -9.997 -15.612 465 HB2 PHE 107 HB2 PHE 107 7.687 -10.347 -15.838 466 HB3 PHE 107 HB3 PHE 107 6.615 -11.356 -14.880 467 HD1 PHE 107 HD2 PHE 107 4.328 -11.823 -16.777 468 HD2 PHE 107 HD1 PHE 107 8.594 -11.871 -17.393 469 HE1 PHE 107 HE2 PHE 107 4.039 -13.416 -18.656 470 HE2 PHE 107 HE1 PHE 107 8.302 -13.464 -19.271 471 HZ PHE 107 HZ PHE 107 6.031 -14.229 -19.914 472 H ARG 108 H ARG 108 7.353 -7.658 -15.177 473 HA ARG 108 HA ARG 108 7.183 -7.645 -12.277 474 HB2 ARG 108 HB2 ARG 108 8.397 -5.736 -14.313 475 HB3 ARG 108 HB3 ARG 108 8.493 -5.440 -12.588 476 HG2 ARG 108 HG2 ARG 108 9.508 -8.020 -13.854 477 HG3 ARG 108 HG3 ARG 108 10.513 -6.589 -13.674 478 HD2 ARG 108 HD2 ARG 108 9.159 -8.039 -11.361 479 HD3 ARG 108 HD3 ARG 108 10.818 -8.325 -11.907 480 HE ARG 108 HE ARG 108 10.577 -5.546 -11.439 481 HH11 ARG 108 HH11 ARG 108 10.596 -8.478 -9.519 482 HH12 ARG 108 HH12 ARG 108 11.235 -7.666 -8.116 483 HH21 ARG 108 HH21 ARG 108 11.376 -4.567 -9.608 484 HH22 ARG 108 HH22 ARG 108 11.665 -5.506 -8.174 485 H ARG 109 H ARG 109 5.626 -5.595 -14.750 486 HA ARG 109 HA ARG 109 4.275 -3.941 -12.746 487 HB2 ARG 109 HB2 ARG 109 4.966 -3.242 -15.098 488 HB3 ARG 109 HB3 ARG 109 3.604 -4.199 -15.707 489 HG2 ARG 109 HG2 ARG 109 2.057 -2.798 -14.294 490 HG3 ARG 109 HG3 ARG 109 3.459 -1.877 -13.726 491 HD2 ARG 109 HD2 ARG 109 3.940 -1.310 -16.159 492 HD3 ARG 109 HD3 ARG 109 2.375 -2.003 -16.576 493 HE ARG 109 HE ARG 109 2.947 0.552 -15.278 494 HH11 ARG 109 HH11 ARG 109 0.346 -1.792 -15.612 495 HH12 ARG 109 HH12 ARG 109 -0.871 -0.613 -15.234 496 HH21 ARG 109 HH21 ARG 109 1.347 1.973 -14.752 497 HH22 ARG 109 HH22 ARG 109 -0.312 1.458 -14.727 498 H TYR 110 H TYR 110 3.355 -6.724 -14.728 499 HA TYR 110 HA TYR 110 0.809 -7.057 -13.190 500 HB2 TYR 110 HB2 TYR 110 1.379 -7.452 -16.143 501 HB3 TYR 110 HB3 TYR 110 -0.040 -8.043 -15.306 502 HD1 TYR 110 HD1 TYR 110 -1.613 -6.381 -14.168 503 HD2 TYR 110 HD2 TYR 110 1.352 -5.302 -17.114 504 HE1 TYR 110 HE1 TYR 110 -2.979 -4.406 -14.813 505 HE2 TYR 110 HE2 TYR 110 -0.019 -3.318 -17.760 506 HH TYR 110 HH TYR 110 -3.157 -2.562 -16.199 507 HA PRO 111 HA PRO 111 3.454 -10.807 -12.626 508 HB2 PRO 111 HB2 PRO 111 2.576 -11.576 -10.147 509 HB3 PRO 111 HB3 PRO 111 3.759 -10.259 -10.414 510 HG2 PRO 111 HG2 PRO 111 0.761 -10.010 -10.002 511 HG3 PRO 111 HG3 PRO 111 2.070 -9.113 -9.165 512 HD2 PRO 111 HD2 PRO 111 0.750 -8.048 -11.278 513 HD3 PRO 111 HD3 PRO 111 2.511 -7.790 -11.081 514 H HIS 112 H HIS 112 -0.035 -10.509 -12.708 515 HA HIS 112 HA HIS 112 -0.679 -13.295 -12.456 516 HB2 HIS 112 HB2 HIS 112 -2.865 -12.658 -12.974 517 HB3 HIS 112 HB3 HIS 112 -2.198 -11.343 -12.014 518 HD2 HIS 112 HD2 HIS 112 -3.752 -12.164 -15.345 519 HE1 HIS 112 HE1 HIS 112 -2.424 -8.138 -15.758 520 HE2 HIS 112 HE2 HIS 112 -3.789 -10.016 -16.844 521 H LEU 113 H LEU 113 0.779 -11.662 -15.132 522 HA LEU 113 HA LEU 113 -0.308 -13.406 -17.210 523 HB2 LEU 113 HB2 LEU 113 2.119 -11.561 -17.207 524 HB3 LEU 113 HB3 LEU 113 1.620 -12.527 -18.576 525 HG LEU 113 HG LEU 113 0.864 -10.372 -19.065 526 HD11 LEU 113 HD11 LEU 113 -1.619 -11.662 -17.864 527 HD12 LEU 113 HD12 LEU 113 -1.535 -10.525 -19.216 528 HD13 LEU 113 HD13 LEU 113 -0.895 -12.172 -19.402 529 HD21 LEU 113 HD21 LEU 113 1.145 -9.403 -16.958 530 HD22 LEU 113 HD22 LEU 113 -0.431 -8.959 -17.647 531 HD23 LEU 113 HD23 LEU 113 -0.340 -10.161 -16.338 532 H ARG 114 H ARG 114 1.876 -14.027 -14.701 533 HA ARG 114 HA ARG 114 3.146 -16.325 -16.106 534 HB2 ARG 114 HB2 ARG 114 3.637 -15.072 -13.377 535 HB3 ARG 114 HB3 ARG 114 4.352 -16.590 -13.894 536 HG2 ARG 114 HG2 ARG 114 4.821 -13.849 -15.126 537 HG3 ARG 114 HG3 ARG 114 5.950 -14.782 -14.152 538 HD2 ARG 114 HD2 ARG 114 4.970 -15.466 -16.950 539 HD3 ARG 114 HD3 ARG 114 6.574 -14.918 -16.508 540 HE ARG 114 HE ARG 114 5.418 -17.610 -16.156 541 HH11 ARG 114 HH11 ARG 114 8.191 -15.597 -15.413 542 HH12 ARG 114 HH12 ARG 114 9.187 -16.971 -15.013 543 HH21 ARG 114 HH21 ARG 114 6.733 -19.297 -15.631 544 HH22 ARG 114 HH22 ARG 114 8.375 -19.013 -15.143 Start of MODEL 14 1 H1 MET 1 H1 MET 1 28.173 7.733 -8.046 2 H2 MET 1 H2 MET 1 27.050 6.575 -7.763 3 H3 MET 1 H3 MET 1 26.981 7.992 -6.956 4 HA MET 1 HA MET 1 25.286 7.960 -8.672 5 HB2 MET 1 HB2 MET 1 26.356 10.111 -7.998 6 HB3 MET 1 HB3 MET 1 27.524 9.942 -9.308 7 HG2 MET 1 HG2 MET 1 25.592 9.923 -10.935 8 HG3 MET 1 HG3 MET 1 24.498 10.220 -9.585 9 HE1 MET 1 HE1 MET 1 26.033 12.428 -7.783 10 HE2 MET 1 HE2 MET 1 25.378 13.894 -8.536 11 HE3 MET 1 HE3 MET 1 24.320 12.493 -8.267 12 H ARG 2 H ARG 2 25.161 6.080 -9.950 13 HA ARG 2 HA ARG 2 26.347 6.276 -12.654 14 HB2 ARG 2 HB2 ARG 2 27.827 4.904 -10.902 15 HB3 ARG 2 HB3 ARG 2 26.677 3.626 -11.208 16 HG2 ARG 2 HG2 ARG 2 28.387 5.053 -13.302 17 HG3 ARG 2 HG3 ARG 2 28.786 3.543 -12.508 18 HD2 ARG 2 HD2 ARG 2 27.982 2.665 -14.430 19 HD3 ARG 2 HD3 ARG 2 26.500 2.683 -13.495 20 HE ARG 2 HE ARG 2 25.613 4.099 -15.084 21 HH11 ARG 2 HH11 ARG 2 29.087 4.315 -15.498 22 HH12 ARG 2 HH12 ARG 2 28.941 5.372 -16.875 23 HH21 ARG 2 HH21 ARG 2 25.502 5.575 -16.736 24 HH22 ARG 2 HH22 ARG 2 26.962 6.036 -17.573 25 H GLY 3 H GLY 3 24.672 6.016 -13.990 26 HA2 GLY 3 HA2 GLY 3 22.881 3.678 -13.771 27 HA3 GLY 3 HA3 GLY 3 22.095 5.249 -13.623 28 H SER 4 H SER 4 21.348 3.553 -15.611 29 HA SER 4 HA SER 4 21.621 5.216 -17.953 30 HB2 SER 4 HB2 SER 4 22.412 3.441 -19.499 31 HB3 SER 4 HB3 SER 4 23.650 3.950 -18.349 32 HG SER 4 HG SER 4 23.552 1.655 -18.561 33 H HIS 5 H HIS 5 20.022 4.717 -19.572 34 HA HIS 5 HA HIS 5 18.261 2.414 -19.264 35 HB2 HIS 5 HB2 HIS 5 16.216 3.592 -18.823 36 HB3 HIS 5 HB3 HIS 5 17.349 3.997 -17.549 37 HD2 HIS 5 HD2 HIS 5 18.306 6.547 -17.494 38 HE1 HIS 5 HE1 HIS 5 15.551 8.161 -20.325 39 HE2 HIS 5 HE2 HIS 5 17.302 8.738 -18.567 40 H HIS 6 H HIS 6 16.585 2.302 -20.872 41 HA HIS 6 HA HIS 6 16.640 4.164 -23.165 42 HB2 HIS 6 HB2 HIS 6 16.804 1.132 -23.445 43 HB3 HIS 6 HB3 HIS 6 16.442 2.253 -24.754 44 HD2 HIS 6 HD2 HIS 6 19.354 0.851 -22.736 45 HE1 HIS 6 HE1 HIS 6 21.075 3.542 -25.566 46 HE2 HIS 6 HE2 HIS 6 21.582 1.750 -23.829 47 H HIS 7 H HIS 7 14.583 4.206 -24.291 48 HA HIS 7 HA HIS 7 12.293 2.947 -22.858 49 HB2 HIS 7 HB2 HIS 7 11.196 5.102 -22.593 50 HB3 HIS 7 HB3 HIS 7 12.694 5.001 -21.696 51 HD2 HIS 7 HD2 HIS 7 14.801 6.492 -22.562 52 HE1 HIS 7 HE1 HIS 7 12.443 9.188 -24.878 53 HE2 HIS 7 HE2 HIS 7 14.731 8.806 -23.825 54 H HIS 8 H HIS 8 13.272 2.190 -25.341 55 HA HIS 8 HA HIS 8 11.190 3.147 -27.275 56 HB2 HIS 8 HB2 HIS 8 14.100 2.492 -27.863 57 HB3 HIS 8 HB3 HIS 8 12.895 3.084 -29.002 58 HD2 HIS 8 HD2 HIS 8 12.157 5.705 -28.776 59 HE1 HIS 8 HE1 HIS 8 15.313 6.879 -26.157 60 HE2 HIS 8 HE2 HIS 8 13.447 7.720 -27.671 61 H HIS 9 H HIS 9 9.829 1.534 -27.698 62 HA HIS 9 HA HIS 9 10.806 -0.902 -28.930 63 HB2 HIS 9 HB2 HIS 9 10.774 -1.503 -26.467 64 HB3 HIS 9 HB3 HIS 9 9.037 -1.202 -26.468 65 HD2 HIS 9 HD2 HIS 9 8.504 -3.768 -25.878 66 HE1 HIS 9 HE1 HIS 9 9.886 -5.492 -29.524 67 HE2 HIS 9 HE2 HIS 9 8.582 -5.927 -27.379 68 H HIS 10 H HIS 10 9.116 -2.032 -30.087 69 HA HIS 10 HA HIS 10 6.427 -0.898 -30.247 70 HB2 HIS 10 HB2 HIS 10 7.789 0.650 -31.676 71 HB3 HIS 10 HB3 HIS 10 8.246 -0.728 -32.680 72 HD2 HIS 10 HD2 HIS 10 6.989 -0.032 -34.895 73 HE1 HIS 10 HE1 HIS 10 3.016 0.183 -33.347 74 HE2 HIS 10 HE2 HIS 10 4.428 0.236 -35.469 75 H GLY 11 H GLY 11 5.058 -2.074 -31.767 76 HA2 GLY 11 HA2 GLY 11 5.450 -4.220 -33.313 77 HA3 GLY 11 HA3 GLY 11 5.569 -4.995 -31.726 78 H SER 12 H SER 12 3.506 -3.088 -30.594 79 HA SER 12 HA SER 12 1.146 -4.642 -31.148 80 HB2 SER 12 HB2 SER 12 1.661 -2.151 -29.510 81 HB3 SER 12 HB3 SER 12 0.086 -2.965 -29.586 82 HG SER 12 HG SER 12 1.560 -3.679 -27.852 83 H GLY 58 H GLY 58 -0.796 -4.095 -32.065 84 HA2 GLY 58 HA2 GLY 58 -1.433 -1.513 -33.235 85 HA3 GLY 58 HA3 GLY 58 -0.923 -2.691 -34.454 86 H ALA 59 H ALA 59 -2.836 -3.191 -31.464 87 HA ALA 59 HA ALA 59 -5.251 -4.033 -32.951 88 HB1 ALA 59 HB1 ALA 59 -3.601 -5.927 -31.204 89 HB2 ALA 59 HB2 ALA 59 -5.140 -6.315 -32.007 90 HB3 ALA 59 HB3 ALA 59 -3.700 -5.991 -32.977 91 H LEU 60 H LEU 60 -6.779 -5.127 -31.139 92 HA LEU 60 HA LEU 60 -7.019 -3.249 -28.840 93 HB2 LEU 60 HB2 LEU 60 -8.868 -5.313 -30.093 94 HB3 LEU 60 HB3 LEU 60 -9.151 -4.660 -28.489 95 HG LEU 60 HG LEU 60 -9.298 -2.367 -29.388 96 HD11 LEU 60 HD11 LEU 60 -9.096 -3.716 -32.116 97 HD12 LEU 60 HD12 LEU 60 -9.681 -2.060 -31.843 98 HD13 LEU 60 HD13 LEU 60 -8.012 -2.467 -31.455 99 HD21 LEU 60 HD21 LEU 60 -11.303 -3.776 -29.066 100 HD22 LEU 60 HD22 LEU 60 -11.505 -2.673 -30.435 101 HD23 LEU 60 HD23 LEU 60 -11.146 -4.390 -30.728 102 H ALA 61 H ALA 61 -7.075 -3.974 -26.675 103 HA ALA 61 HA ALA 61 -5.777 -6.600 -26.116 104 HB1 ALA 61 HB1 ALA 61 -6.291 -4.194 -24.321 105 HB2 ALA 61 HB2 ALA 61 -5.496 -5.702 -23.830 106 HB3 ALA 61 HB3 ALA 61 -4.735 -4.664 -25.043 107 H ALA 62 H ALA 62 -6.867 -8.269 -25.219 108 HA ALA 62 HA ALA 62 -9.710 -7.951 -24.436 109 HB1 ALA 62 HB1 ALA 62 -7.961 -10.430 -24.633 110 HB2 ALA 62 HB2 ALA 62 -9.698 -10.396 -24.275 111 HB3 ALA 62 HB3 ALA 62 -9.111 -9.857 -25.862 112 H LEU 63 H LEU 63 -10.451 -8.171 -22.367 113 HA LEU 63 HA LEU 63 -8.450 -8.317 -20.151 114 HB2 LEU 63 HB2 LEU 63 -10.982 -6.658 -20.133 115 HB3 LEU 63 HB3 LEU 63 -9.707 -6.676 -18.925 116 HG LEU 63 HG LEU 63 -9.507 -5.534 -21.748 117 HD11 LEU 63 HD11 LEU 63 -9.556 -4.170 -19.028 118 HD12 LEU 63 HD12 LEU 63 -9.413 -3.372 -20.610 119 HD13 LEU 63 HD13 LEU 63 -10.904 -4.227 -20.188 120 HD21 LEU 63 HD21 LEU 63 -7.289 -6.294 -21.099 121 HD22 LEU 63 HD22 LEU 63 -7.366 -4.544 -21.005 122 HD23 LEU 63 HD23 LEU 63 -7.444 -5.502 -19.506 123 H HIS 64 H HIS 64 -9.169 -9.277 -18.190 124 HA HIS 64 HA HIS 64 -11.237 -11.353 -18.375 125 HB2 HIS 64 HB2 HIS 64 -9.674 -10.194 -16.062 126 HB3 HIS 64 HB3 HIS 64 -10.831 -11.502 -15.878 127 HD2 HIS 64 HD2 HIS 64 -7.229 -10.913 -16.434 128 HE1 HIS 64 HE1 HIS 64 -7.854 -14.995 -17.497 129 HE2 HIS 64 HE2 HIS 64 -6.092 -13.234 -16.963 130 H ALA 65 H ALA 65 -13.366 -11.241 -17.694 131 HA ALA 65 HA ALA 65 -14.435 -8.539 -17.192 132 HB1 ALA 65 HB1 ALA 65 -15.811 -11.183 -17.795 133 HB2 ALA 65 HB2 ALA 65 -16.567 -9.577 -17.787 134 HB3 ALA 65 HB3 ALA 65 -15.324 -9.959 -18.995 135 H ASP 66 H ASP 66 -13.931 -11.454 -15.302 136 HA ASP 66 HA ASP 66 -15.466 -10.372 -12.989 137 HB2 ASP 66 HB2 ASP 66 -15.927 -13.022 -14.418 138 HB3 ASP 66 HB3 ASP 66 -16.468 -12.725 -12.775 139 H GLY 67 H GLY 67 -15.206 -11.768 -11.023 140 HA2 GLY 67 HA2 GLY 67 -14.055 -13.076 -9.518 141 HA3 GLY 67 HA3 GLY 67 -13.218 -13.793 -10.880 142 HA PRO 68 HA PRO 68 -10.054 -11.831 -8.179 143 HB2 PRO 68 HB2 PRO 68 -7.825 -13.113 -9.271 144 HB3 PRO 68 HB3 PRO 68 -8.911 -13.815 -8.028 145 HG2 PRO 68 HG2 PRO 68 -8.954 -14.212 -11.029 146 HG3 PRO 68 HG3 PRO 68 -9.079 -15.454 -9.742 147 HD2 PRO 68 HD2 PRO 68 -11.266 -14.517 -10.996 148 HD3 PRO 68 HD3 PRO 68 -11.310 -14.825 -9.231 149 H HIS 69 H HIS 69 -9.953 -11.962 -11.689 150 HA HIS 69 HA HIS 69 -7.881 -9.816 -11.845 151 HB2 HIS 69 HB2 HIS 69 -8.548 -12.137 -13.650 152 HB3 HIS 69 HB3 HIS 69 -7.388 -10.880 -14.039 153 HD2 HIS 69 HD2 HIS 69 -6.316 -13.658 -13.992 154 HE1 HIS 69 HE1 HIS 69 -4.476 -12.788 -10.260 155 HE2 HIS 69 HE2 HIS 69 -4.492 -14.399 -12.229 156 H ALA 70 H ALA 70 -11.036 -9.534 -11.856 157 HA ALA 70 HA ALA 70 -11.888 -8.727 -14.374 158 HB1 ALA 70 HB1 ALA 70 -12.636 -7.519 -11.683 159 HB2 ALA 70 HB2 ALA 70 -13.577 -7.396 -13.186 160 HB3 ALA 70 HB3 ALA 70 -13.346 -8.976 -12.415 161 H GLY 71 H GLY 71 -11.323 -7.212 -15.770 162 HA2 GLY 71 HA2 GLY 71 -10.741 -5.115 -16.612 163 HA3 GLY 71 HA3 GLY 71 -10.322 -4.547 -14.999 164 H LEU 72 H LEU 72 -8.617 -7.390 -15.157 165 HA LEU 72 HA LEU 72 -6.129 -6.073 -16.008 166 HB2 LEU 72 HB2 LEU 72 -6.588 -8.953 -15.162 167 HB3 LEU 72 HB3 LEU 72 -5.047 -8.149 -15.351 168 HG LEU 72 HG LEU 72 -7.079 -7.567 -13.175 169 HD11 LEU 72 HD11 LEU 72 -4.254 -8.675 -12.974 170 HD12 LEU 72 HD12 LEU 72 -5.505 -8.633 -11.719 171 HD13 LEU 72 HD13 LEU 72 -5.658 -9.727 -13.110 172 HD21 LEU 72 HD21 LEU 72 -5.911 -5.488 -13.746 173 HD22 LEU 72 HD22 LEU 72 -5.308 -6.123 -12.212 174 HD23 LEU 72 HD23 LEU 72 -4.341 -6.326 -13.688 175 HA PRO 73 HA PRO 73 -6.082 -7.792 -20.185 176 HB2 PRO 73 HB2 PRO 73 -3.383 -8.241 -20.552 177 HB3 PRO 73 HB3 PRO 73 -4.152 -6.629 -20.657 178 HG2 PRO 73 HG2 PRO 73 -2.691 -7.899 -18.324 179 HG3 PRO 73 HG3 PRO 73 -2.539 -6.221 -18.940 180 HD2 PRO 73 HD2 PRO 73 -4.052 -6.780 -16.780 181 HD3 PRO 73 HD3 PRO 73 -4.566 -5.552 -17.960 182 H VAL 74 H VAL 74 -6.122 -9.835 -21.186 183 HA VAL 74 HA VAL 74 -5.899 -12.076 -19.321 184 HB VAL 74 HB VAL 74 -6.678 -12.237 -22.244 185 HG11 VAL 74 HG11 VAL 74 -7.103 -14.076 -19.854 186 HG12 VAL 74 HG12 VAL 74 -7.801 -14.320 -21.471 187 HG13 VAL 74 HG13 VAL 74 -6.052 -14.405 -21.250 188 HG21 VAL 74 HG21 VAL 74 -8.232 -10.731 -21.066 189 HG22 VAL 74 HG22 VAL 74 -9.010 -12.276 -21.394 190 HG23 VAL 74 HG23 VAL 74 -8.418 -11.916 -19.759 191 H THR 75 H THR 75 -4.294 -11.410 -22.531 192 HA THR 75 HA THR 75 -2.218 -13.396 -21.807 193 HB THR 75 HB THR 75 -1.680 -13.499 -24.073 194 HG1 THR 75 HG1 THR 75 -2.864 -12.083 -25.580 195 HG21 THR 75 HG21 THR 75 -4.704 -13.260 -24.074 196 HG22 THR 75 HG22 THR 75 -3.689 -14.193 -25.191 197 HG23 THR 75 HG23 THR 75 -3.795 -14.670 -23.488 198 H ARG 76 H ARG 76 0.015 -12.955 -22.629 199 HA ARG 76 HA ARG 76 1.164 -10.552 -21.477 200 HB2 ARG 76 HB2 ARG 76 2.277 -12.671 -23.375 201 HB3 ARG 76 HB3 ARG 76 3.266 -11.423 -22.606 202 HG2 ARG 76 HG2 ARG 76 3.000 -12.304 -20.451 203 HG3 ARG 76 HG3 ARG 76 1.514 -13.164 -20.854 204 HD2 ARG 76 HD2 ARG 76 2.902 -14.681 -22.349 205 HD3 ARG 76 HD3 ARG 76 4.338 -13.961 -21.584 206 HE ARG 76 HE ARG 76 2.504 -14.793 -19.535 207 HH11 ARG 76 HH11 ARG 76 4.499 -16.414 -21.922 208 HH12 ARG 76 HH12 ARG 76 4.580 -17.871 -20.968 209 HH21 ARG 76 HH21 ARG 76 2.666 -16.572 -18.391 210 HH22 ARG 76 HH22 ARG 76 3.537 -17.973 -18.989 211 H SER 77 H SER 77 0.245 -11.391 -24.815 212 HA SER 77 HA SER 77 1.076 -8.865 -25.958 213 HB2 SER 77 HB2 SER 77 -0.885 -10.999 -26.832 214 HB3 SER 77 HB3 SER 77 -0.698 -9.476 -27.725 215 HG SER 77 HG SER 77 0.723 -11.342 -28.346 216 H ASP 78 H ASP 78 -2.106 -9.888 -24.492 217 HA ASP 78 HA ASP 78 -3.396 -7.386 -24.966 218 HB2 ASP 78 HB2 ASP 78 -3.720 -9.280 -22.610 219 HB3 ASP 78 HB3 ASP 78 -4.777 -7.926 -22.976 220 H ALA 79 H ALA 79 -1.269 -8.375 -22.247 221 HA ALA 79 HA ALA 79 -1.385 -5.911 -20.796 222 HB1 ALA 79 HB1 ALA 79 0.838 -7.950 -20.919 223 HB2 ALA 79 HB2 ALA 79 0.510 -6.763 -19.622 224 HB3 ALA 79 HB3 ALA 79 -0.623 -8.093 -19.927 225 H ARG 80 H ARG 80 0.974 -6.974 -23.287 226 HA ARG 80 HA ARG 80 2.485 -4.545 -23.423 227 HB2 ARG 80 HB2 ARG 80 2.965 -6.869 -24.447 228 HB3 ARG 80 HB3 ARG 80 1.848 -6.430 -25.730 229 HG2 ARG 80 HG2 ARG 80 3.329 -4.351 -26.128 230 HG3 ARG 80 HG3 ARG 80 4.474 -5.063 -24.987 231 HD2 ARG 80 HD2 ARG 80 5.178 -5.581 -27.237 232 HD3 ARG 80 HD3 ARG 80 4.635 -7.075 -26.472 233 HE ARG 80 HE ARG 80 3.037 -5.400 -28.420 234 HH11 ARG 80 HH11 ARG 80 3.798 -8.644 -27.320 235 HH12 ARG 80 HH12 ARG 80 2.388 -9.333 -28.082 236 HH21 ARG 80 HH21 ARG 80 1.351 -6.301 -29.401 237 HH22 ARG 80 HH22 ARG 80 1.164 -8.042 -29.460 238 H VAL 81 H VAL 81 -0.535 -5.460 -25.094 239 HA VAL 81 HA VAL 81 -0.613 -3.084 -26.789 240 HB VAL 81 HB VAL 81 -2.651 -5.231 -26.114 241 HG11 VAL 81 HG11 VAL 81 -2.904 -2.932 -28.106 242 HG12 VAL 81 HG12 VAL 81 -3.972 -4.349 -28.024 243 HG13 VAL 81 HG13 VAL 81 -3.934 -3.199 -26.686 244 HG21 VAL 81 HG21 VAL 81 -0.645 -5.811 -27.599 245 HG22 VAL 81 HG22 VAL 81 -2.230 -6.021 -28.358 246 HG23 VAL 81 HG23 VAL 81 -1.235 -4.604 -28.746 247 H LEU 82 H LEU 82 -2.116 -3.981 -23.638 248 HA LEU 82 HA LEU 82 -3.539 -1.572 -23.296 249 HB2 LEU 82 HB2 LEU 82 -2.784 -3.863 -21.649 250 HB3 LEU 82 HB3 LEU 82 -2.469 -2.408 -20.740 251 HG LEU 82 HG LEU 82 -5.130 -3.165 -22.005 252 HD11 LEU 82 HD11 LEU 82 -4.171 -3.021 -19.106 253 HD12 LEU 82 HD12 LEU 82 -5.844 -3.326 -19.611 254 HD13 LEU 82 HD13 LEU 82 -4.575 -4.489 -20.025 255 HD21 LEU 82 HD21 LEU 82 -4.917 -0.722 -21.988 256 HD22 LEU 82 HD22 LEU 82 -6.009 -1.216 -20.694 257 HD23 LEU 82 HD23 LEU 82 -4.332 -0.756 -20.312 258 H ILE 83 H ILE 83 -0.180 -2.356 -22.253 259 HA ILE 83 HA ILE 83 0.512 0.217 -21.256 260 HB ILE 83 HB ILE 83 2.186 -1.948 -22.580 261 HG12 ILE 83 HG12 ILE 83 2.155 -1.038 -19.672 262 HG13 ILE 83 HG13 ILE 83 1.056 -2.274 -20.273 263 HG21 ILE 83 HG21 ILE 83 3.049 0.764 -21.504 264 HG22 ILE 83 HG22 ILE 83 4.152 -0.603 -21.491 265 HG23 ILE 83 HG23 ILE 83 3.509 -0.035 -23.031 266 HD11 ILE 83 HD11 ILE 83 4.093 -2.477 -20.277 267 HD12 ILE 83 HD12 ILE 83 2.950 -3.362 -19.257 268 HD13 ILE 83 HD13 ILE 83 2.985 -3.664 -21.005 269 H PHE 84 H PHE 84 0.890 -1.060 -24.609 270 HA PHE 84 HA PHE 84 2.018 1.293 -25.653 271 HB2 PHE 84 HB2 PHE 84 2.009 -0.991 -26.691 272 HB3 PHE 84 HB3 PHE 84 0.322 -0.759 -27.126 273 HD1 PHE 84 HD2 PHE 84 3.700 0.848 -27.430 274 HD2 PHE 84 HD1 PHE 84 -0.217 0.359 -29.153 275 HE1 PHE 84 HE2 PHE 84 4.473 2.028 -29.456 276 HE2 PHE 84 HE1 PHE 84 0.555 1.552 -31.213 277 HZ PHE 84 HZ PHE 84 2.896 2.374 -31.368 278 H ASN 85 H ASN 85 -1.449 0.289 -25.904 279 HA ASN 85 HA ASN 85 -2.355 2.647 -27.186 280 HB2 ASN 85 HB2 ASN 85 -3.629 0.537 -27.053 281 HB3 ASN 85 HB3 ASN 85 -3.825 0.735 -25.311 282 HD21 ASN 85 HD22 ASN 85 -5.541 2.070 -24.563 283 HD22 ASN 85 HD21 ASN 85 -6.571 2.957 -25.670 284 H ASP 86 H ASP 86 -2.165 1.956 -23.631 285 HA ASP 86 HA ASP 86 -3.291 4.456 -22.778 286 HB2 ASP 86 HB2 ASP 86 -3.086 2.552 -21.276 287 HB3 ASP 86 HB3 ASP 86 -1.325 2.554 -21.452 288 H TRP 87 H TRP 87 0.139 3.473 -23.338 289 HA TRP 87 HA TRP 87 1.333 5.981 -22.724 290 HB2 TRP 87 HB2 TRP 87 2.729 4.063 -22.925 291 HB3 TRP 87 HB3 TRP 87 2.116 3.683 -24.529 292 HD1 TRP 87 HD1 TRP 87 4.347 6.330 -22.822 293 HE1 TRP 87 HE1 TRP 87 6.093 7.134 -24.544 294 HE3 TRP 87 HE3 TRP 87 2.499 4.068 -27.054 295 HZ2 TRP 87 HZ2 TRP 87 6.671 6.771 -27.311 296 HZ3 TRP 87 HZ3 TRP 87 3.628 4.401 -29.231 297 HH2 TRP 87 HH2 TRP 87 5.731 5.707 -29.378 298 H GLU 88 H GLU 88 0.185 4.764 -25.971 299 HA GLU 88 HA GLU 88 1.006 7.135 -27.266 300 HB2 GLU 88 HB2 GLU 88 0.251 4.651 -28.108 301 HB3 GLU 88 HB3 GLU 88 -1.230 5.550 -28.456 302 HG2 GLU 88 HG2 GLU 88 0.375 7.281 -29.541 303 HG3 GLU 88 HG3 GLU 88 1.613 6.044 -29.425 304 H GLU 89 H GLU 89 -2.171 6.335 -25.769 305 HA GLU 89 HA GLU 89 -3.528 8.716 -26.655 306 HB2 GLU 89 HB2 GLU 89 -4.622 6.659 -25.815 307 HB3 GLU 89 HB3 GLU 89 -3.934 6.939 -24.205 308 HG2 GLU 89 HG2 GLU 89 -5.155 9.056 -24.034 309 HG3 GLU 89 HG3 GLU 89 -5.757 8.867 -25.687 310 H ARG 90 H ARG 90 -1.755 7.925 -23.580 311 HA ARG 90 HA ARG 90 -1.945 10.661 -22.633 312 HB2 ARG 90 HB2 ARG 90 -0.110 8.393 -21.766 313 HB3 ARG 90 HB3 ARG 90 -0.212 9.986 -20.992 314 HG2 ARG 90 HG2 ARG 90 -2.694 9.609 -20.666 315 HG3 ARG 90 HG3 ARG 90 -2.458 7.935 -21.173 316 HD2 ARG 90 HD2 ARG 90 -1.101 9.309 -18.814 317 HD3 ARG 90 HD3 ARG 90 -2.487 8.226 -18.711 318 HE ARG 90 HE ARG 90 -1.064 6.392 -19.616 319 HH11 ARG 90 HH11 ARG 90 0.621 8.979 -17.896 320 HH12 ARG 90 HH12 ARG 90 1.930 7.911 -17.483 321 HH21 ARG 90 HH21 ARG 90 0.481 5.194 -19.076 322 HH22 ARG 90 HH22 ARG 90 1.883 5.751 -18.153 323 H LYS 91 H LYS 91 0.345 9.141 -24.848 324 HA LYS 91 HA LYS 91 2.178 11.361 -24.885 325 HB2 LYS 91 HB2 LYS 91 2.753 9.104 -25.726 326 HB3 LYS 91 HB3 LYS 91 1.642 9.342 -27.089 327 HG2 LYS 91 HG2 LYS 91 2.981 11.283 -27.843 328 HG3 LYS 91 HG3 LYS 91 4.055 11.098 -26.442 329 HD2 LYS 91 HD2 LYS 91 4.788 8.899 -27.273 330 HD3 LYS 91 HD3 LYS 91 3.650 9.015 -28.638 331 HE2 LYS 91 HE2 LYS 91 4.805 11.124 -29.374 332 HE3 LYS 91 HE3 LYS 91 5.974 10.926 -28.064 333 HZ1 LYS 91 HZ1 LYS 91 5.580 8.992 -30.307 334 HZ2 LYS 91 HZ2 LYS 91 6.816 10.047 -30.181 335 HZ3 LYS 91 HZ3 LYS 91 6.688 8.826 -29.107 336 H ARG 92 H ARG 92 -0.785 10.689 -26.823 337 HA ARG 92 HA ARG 92 -0.710 13.190 -28.293 338 HB2 ARG 92 HB2 ARG 92 -3.065 11.494 -27.371 339 HB3 ARG 92 HB3 ARG 92 -3.230 12.943 -28.358 340 HG2 ARG 92 HG2 ARG 92 -1.941 11.983 -30.167 341 HG3 ARG 92 HG3 ARG 92 -1.518 10.571 -29.191 342 HD2 ARG 92 HD2 ARG 92 -3.981 10.013 -29.022 343 HD3 ARG 92 HD3 ARG 92 -4.323 11.383 -30.079 344 HE ARG 92 HE ARG 92 -3.698 10.129 -31.907 345 HH11 ARG 92 HH11 ARG 92 -2.190 8.492 -29.131 346 HH12 ARG 92 HH12 ARG 92 -1.908 7.070 -30.148 347 HH21 ARG 92 HH21 ARG 92 -3.107 8.215 -33.008 348 HH22 ARG 92 HH22 ARG 92 -2.278 6.962 -32.082 349 H SER 93 H SER 93 -1.990 12.470 -24.998 350 HA SER 93 HA SER 93 -2.716 15.213 -24.485 351 HB2 SER 93 HB2 SER 93 -1.940 13.077 -22.473 352 HB3 SER 93 HB3 SER 93 -2.773 14.601 -22.130 353 HG SER 93 HG SER 93 -4.295 12.917 -22.355 354 H GLU 94 H GLU 94 0.343 13.490 -23.798 355 HA GLU 94 HA GLU 94 1.769 16.024 -23.122 356 HB2 GLU 94 HB2 GLU 94 1.654 13.443 -21.511 357 HB3 GLU 94 HB3 GLU 94 2.775 14.774 -21.234 358 HG2 GLU 94 HG2 GLU 94 0.819 16.301 -20.875 359 HG3 GLU 94 HG3 GLU 94 -0.257 14.901 -20.991 360 HA PRO 95 HA PRO 95 3.837 13.714 -26.339 361 HB2 PRO 95 HB2 PRO 95 5.654 15.560 -27.275 362 HB3 PRO 95 HB3 PRO 95 3.887 15.662 -27.535 363 HG2 PRO 95 HG2 PRO 95 5.523 17.009 -25.356 364 HG3 PRO 95 HG3 PRO 95 4.337 17.764 -26.474 365 HD2 PRO 95 HD2 PRO 95 3.607 17.024 -23.981 366 HD3 PRO 95 HD3 PRO 95 2.504 16.733 -25.363 367 H TRP 96 H TRP 96 5.516 14.491 -23.487 368 HA TRP 96 HA TRP 96 8.161 13.495 -24.261 369 HB2 TRP 96 HB2 TRP 96 8.676 14.099 -21.889 370 HB3 TRP 96 HB3 TRP 96 8.036 15.402 -22.867 371 HD1 TRP 96 HD1 TRP 96 6.627 12.807 -20.346 372 HE1 TRP 96 HE1 TRP 96 4.804 13.941 -18.926 373 HE3 TRP 96 HE3 TRP 96 6.495 17.367 -22.684 374 HZ2 TRP 96 HZ2 TRP 96 3.453 16.494 -18.837 375 HZ3 TRP 96 HZ3 TRP 96 4.879 19.107 -21.952 376 HH2 TRP 96 HH2 TRP 96 3.362 18.685 -20.030 377 H LEU 97 H LEU 97 5.494 11.718 -23.712 378 HA LEU 97 HA LEU 97 6.013 10.235 -21.444 379 HB2 LEU 97 HB2 LEU 97 3.955 10.479 -23.180 380 HB3 LEU 97 HB3 LEU 97 4.545 8.960 -23.749 381 HG LEU 97 HG LEU 97 3.103 8.086 -22.266 382 HD11 LEU 97 HD11 LEU 97 4.938 9.042 -20.015 383 HD12 LEU 97 HD12 LEU 97 3.753 7.728 -19.956 384 HD13 LEU 97 HD13 LEU 97 5.173 7.549 -20.966 385 HD21 LEU 97 HD21 LEU 97 2.059 10.246 -21.940 386 HD22 LEU 97 HD22 LEU 97 2.055 9.268 -20.463 387 HD23 LEU 97 HD23 LEU 97 3.202 10.628 -20.634 388 H ARG 98 H ARG 98 7.356 8.615 -20.872 389 HA ARG 98 HA ARG 98 9.125 7.216 -22.780 390 HB2 ARG 98 HB2 ARG 98 8.792 7.301 -19.757 391 HB3 ARG 98 HB3 ARG 98 9.737 6.030 -20.503 392 HG2 ARG 98 HG2 ARG 98 11.096 7.901 -19.658 393 HG3 ARG 98 HG3 ARG 98 11.360 7.517 -21.348 394 HD2 ARG 98 HD2 ARG 98 10.062 9.470 -22.053 395 HD3 ARG 98 HD3 ARG 98 9.707 9.862 -20.351 396 HE ARG 98 HE ARG 98 12.497 9.665 -20.536 397 HH11 ARG 98 HH11 ARG 98 10.082 11.778 -21.953 398 HH12 ARG 98 HH12 ARG 98 11.221 13.096 -22.125 399 HH21 ARG 98 HH21 ARG 98 13.880 11.390 -20.771 400 HH22 ARG 98 HH22 ARG 98 13.308 12.874 -21.468 401 H LEU 99 H LEU 99 9.187 4.989 -23.189 402 HA LEU 99 HA LEU 99 6.742 3.430 -22.460 403 HB2 LEU 99 HB2 LEU 99 6.637 4.320 -24.711 404 HB3 LEU 99 HB3 LEU 99 8.163 3.602 -25.138 405 HG LEU 99 HG LEU 99 6.037 2.515 -26.024 406 HD11 LEU 99 HD11 LEU 99 7.747 0.593 -24.401 407 HD12 LEU 99 HD12 LEU 99 6.918 0.329 -25.936 408 HD13 LEU 99 HD13 LEU 99 8.309 1.402 -25.879 409 HD21 LEU 99 HD21 LEU 99 4.716 2.646 -23.928 410 HD22 LEU 99 HD22 LEU 99 4.741 1.062 -24.712 411 HD23 LEU 99 HD23 LEU 99 5.714 1.334 -23.257 412 H ASP 100 H ASP 100 7.093 1.602 -21.433 413 HA ASP 100 HA ASP 100 9.508 -0.060 -21.993 414 HB2 ASP 100 HB2 ASP 100 8.434 0.754 -19.262 415 HB3 ASP 100 HB3 ASP 100 9.487 -0.631 -19.522 416 H MET 101 H MET 101 8.619 -1.834 -22.968 417 HA MET 101 HA MET 101 6.530 -3.331 -21.522 418 HB2 MET 101 HB2 MET 101 4.925 -3.413 -23.278 419 HB3 MET 101 HB3 MET 101 5.293 -1.738 -22.916 420 HG2 MET 101 HG2 MET 101 6.779 -1.622 -24.896 421 HG3 MET 101 HG3 MET 101 6.294 -3.270 -25.313 422 HE1 MET 101 HE1 MET 101 5.893 -2.265 -27.593 423 HE2 MET 101 HE2 MET 101 4.366 -1.486 -28.066 424 HE3 MET 101 HE3 MET 101 5.674 -0.500 -27.391 425 H SER 102 H SER 102 9.343 -3.872 -22.147 426 HA SER 102 HA SER 102 9.394 -6.234 -23.857 427 HB2 SER 102 HB2 SER 102 11.174 -5.429 -21.520 428 HB3 SER 102 HB3 SER 102 11.515 -6.707 -22.706 429 HG SER 102 HG SER 102 12.558 -4.720 -23.254 430 H ASP 103 H ASP 103 9.617 -8.484 -22.972 431 HA ASP 103 HA ASP 103 7.359 -9.238 -21.540 432 HB2 ASP 103 HB2 ASP 103 8.217 -11.443 -21.523 433 HB3 ASP 103 HB3 ASP 103 8.769 -10.690 -23.012 434 H LYS 104 H LYS 104 10.613 -8.718 -20.151 435 HA LYS 104 HA LYS 104 9.837 -9.530 -17.480 436 HB2 LYS 104 HB2 LYS 104 12.271 -8.868 -18.814 437 HB3 LYS 104 HB3 LYS 104 12.102 -7.657 -17.561 438 HG2 LYS 104 HG2 LYS 104 13.334 -9.480 -16.616 439 HG3 LYS 104 HG3 LYS 104 11.738 -9.462 -15.883 440 HD2 LYS 104 HD2 LYS 104 12.096 -11.700 -16.210 441 HD3 LYS 104 HD3 LYS 104 11.114 -11.337 -17.612 442 HE2 LYS 104 HE2 LYS 104 14.173 -11.466 -17.653 443 HE3 LYS 104 HE3 LYS 104 13.141 -12.872 -17.890 444 HZ1 LYS 104 HZ1 LYS 104 13.251 -10.515 -19.694 445 HZ2 LYS 104 HZ2 LYS 104 13.721 -12.034 -20.023 446 HZ3 LYS 104 HZ3 LYS 104 12.128 -11.716 -19.835 447 H ALA 105 H ALA 105 9.663 -6.399 -19.101 448 HA ALA 105 HA ALA 105 8.890 -4.930 -16.706 449 HB1 ALA 105 HB1 ALA 105 8.396 -4.296 -19.652 450 HB2 ALA 105 HB2 ALA 105 8.246 -3.175 -18.287 451 HB3 ALA 105 HB3 ALA 105 9.837 -3.832 -18.716 452 H ILE 106 H ILE 106 7.082 -6.660 -19.290 453 HA ILE 106 HA ILE 106 4.421 -6.107 -18.305 454 HB ILE 106 HB ILE 106 5.444 -8.479 -19.895 455 HG12 ILE 106 HG12 ILE 106 3.931 -6.003 -20.851 456 HG13 ILE 106 HG13 ILE 106 5.684 -6.113 -20.907 457 HG21 ILE 106 HG21 ILE 106 2.603 -7.491 -19.346 458 HG22 ILE 106 HG22 ILE 106 3.020 -8.750 -20.523 459 HG23 ILE 106 HG23 ILE 106 3.300 -9.041 -18.809 460 HD11 ILE 106 HD11 ILE 106 3.761 -7.909 -22.421 461 HD12 ILE 106 HD12 ILE 106 4.836 -6.665 -23.068 462 HD13 ILE 106 HD13 ILE 106 5.525 -8.132 -22.359 463 H PHE 107 H PHE 107 6.592 -8.932 -17.577 464 HA PHE 107 HA PHE 107 4.814 -9.982 -15.600 465 HB2 PHE 107 HB2 PHE 107 7.827 -10.288 -15.871 466 HB3 PHE 107 HB3 PHE 107 6.797 -11.283 -14.851 467 HD1 PHE 107 HD1 PHE 107 4.502 -12.034 -16.415 468 HD2 PHE 107 HD2 PHE 107 8.596 -11.573 -17.689 469 HE1 PHE 107 HE1 PHE 107 4.131 -13.675 -18.225 470 HE2 PHE 107 HE2 PHE 107 8.196 -13.164 -19.547 471 HZ PHE 107 HZ PHE 107 5.970 -14.238 -19.808 472 H ARG 108 H ARG 108 7.444 -7.576 -15.199 473 HA ARG 108 HA ARG 108 7.242 -7.528 -12.300 474 HB2 ARG 108 HB2 ARG 108 8.520 -5.687 -14.350 475 HB3 ARG 108 HB3 ARG 108 8.531 -5.317 -12.625 476 HG2 ARG 108 HG2 ARG 108 9.688 -7.386 -12.088 477 HG3 ARG 108 HG3 ARG 108 9.601 -7.940 -13.761 478 HD2 ARG 108 HD2 ARG 108 10.988 -6.028 -14.488 479 HD3 ARG 108 HD3 ARG 108 11.091 -5.443 -12.831 480 HE ARG 108 HE ARG 108 12.520 -7.706 -14.044 481 HH11 ARG 108 HH11 ARG 108 11.690 -6.263 -10.952 482 HH12 ARG 108 HH12 ARG 108 12.977 -7.094 -10.123 483 HH21 ARG 108 HH21 ARG 108 14.134 -8.731 -12.916 484 HH22 ARG 108 HH22 ARG 108 14.319 -8.450 -11.212 485 H ARG 109 H ARG 109 5.657 -5.543 -14.807 486 HA ARG 109 HA ARG 109 4.269 -3.868 -12.840 487 HB2 ARG 109 HB2 ARG 109 4.918 -3.460 -15.382 488 HB3 ARG 109 HB3 ARG 109 3.361 -4.194 -15.712 489 HG2 ARG 109 HG2 ARG 109 3.944 -1.671 -14.089 490 HG3 ARG 109 HG3 ARG 109 3.318 -1.756 -15.726 491 HD2 ARG 109 HD2 ARG 109 1.394 -1.274 -14.560 492 HD3 ARG 109 HD3 ARG 109 1.291 -3.021 -14.693 493 HE ARG 109 HE ARG 109 1.622 -3.250 -12.405 494 HH11 ARG 109 HH11 ARG 109 2.184 0.140 -13.159 495 HH12 ARG 109 HH12 ARG 109 2.201 0.596 -11.479 496 HH21 ARG 109 HH21 ARG 109 1.656 -2.596 -10.306 497 HH22 ARG 109 HH22 ARG 109 1.906 -0.924 -9.903 498 H TYR 110 H TYR 110 3.382 -6.682 -14.832 499 HA TYR 110 HA TYR 110 0.873 -7.085 -13.247 500 HB2 TYR 110 HB2 TYR 110 1.424 -7.440 -16.207 501 HB3 TYR 110 HB3 TYR 110 0.009 -8.042 -15.369 502 HD1 TYR 110 HD2 TYR 110 -1.532 -6.392 -14.159 503 HD2 TYR 110 HD1 TYR 110 1.397 -5.256 -17.120 504 HE1 TYR 110 HE2 TYR 110 -2.839 -4.331 -14.666 505 HE2 TYR 110 HE1 TYR 110 0.103 -3.184 -17.607 506 HH TYR 110 HH TYR 110 -1.762 -1.922 -17.096 507 HA PRO 111 HA PRO 111 3.524 -10.836 -12.740 508 HB2 PRO 111 HB2 PRO 111 2.774 -11.541 -10.199 509 HB3 PRO 111 HB3 PRO 111 3.956 -10.245 -10.554 510 HG2 PRO 111 HG2 PRO 111 0.987 -9.949 -9.991 511 HG3 PRO 111 HG3 PRO 111 2.348 -9.056 -9.239 512 HD2 PRO 111 HD2 PRO 111 0.936 -8.010 -11.301 513 HD3 PRO 111 HD3 PRO 111 2.707 -7.771 -11.195 514 H HIS 112 H HIS 112 0.047 -10.466 -12.684 515 HA HIS 112 HA HIS 112 -0.657 -13.234 -12.389 516 HB2 HIS 112 HB2 HIS 112 -2.826 -12.573 -12.922 517 HB3 HIS 112 HB3 HIS 112 -2.143 -11.238 -12.004 518 HD2 HIS 112 HD2 HIS 112 -3.707 -12.143 -15.313 519 HE1 HIS 112 HE1 HIS 112 -2.375 -8.130 -15.818 520 HE2 HIS 112 HE2 HIS 112 -3.751 -10.025 -16.859 521 H LEU 113 H LEU 113 0.846 -11.674 -15.071 522 HA LEU 113 HA LEU 113 -0.215 -13.447 -17.135 523 HB2 LEU 113 HB2 LEU 113 2.184 -11.562 -17.103 524 HB3 LEU 113 HB3 LEU 113 1.765 -12.573 -18.460 525 HG LEU 113 HG LEU 113 0.967 -10.449 -19.038 526 HD11 LEU 113 HD11 LEU 113 -1.523 -11.803 -17.922 527 HD12 LEU 113 HD12 LEU 113 -1.420 -10.678 -19.280 528 HD13 LEU 113 HD13 LEU 113 -0.719 -12.304 -19.427 529 HD21 LEU 113 HD21 LEU 113 1.117 -9.412 -16.970 530 HD22 LEU 113 HD22 LEU 113 -0.459 -9.063 -17.703 531 HD23 LEU 113 HD23 LEU 113 -0.341 -10.228 -16.361 532 H ARG 114 H ARG 114 1.762 -14.164 -14.552 533 HA ARG 114 HA ARG 114 2.734 -16.630 -15.928 534 HB2 ARG 114 HB2 ARG 114 3.970 -15.013 -13.686 535 HB3 ARG 114 HB3 ARG 114 4.276 -16.749 -13.838 536 HG2 ARG 114 HG2 ARG 114 5.125 -16.491 -16.102 537 HG3 ARG 114 HG3 ARG 114 4.694 -14.779 -16.104 538 HD2 ARG 114 HD2 ARG 114 6.340 -14.294 -14.381 539 HD3 ARG 114 HD3 ARG 114 6.738 -16.005 -14.218 540 HE ARG 114 HE ARG 114 7.398 -14.197 -16.492 541 HH11 ARG 114 HH11 ARG 114 7.690 -17.453 -15.213 542 HH12 ARG 114 HH12 ARG 114 8.921 -17.891 -16.364 543 HH21 ARG 114 HH21 ARG 114 8.987 -14.824 -17.910 544 HH22 ARG 114 HH22 ARG 114 9.632 -16.438 -17.845 Start of MODEL 15 1 H1 MET 1 H1 MET 1 20.648 17.431 -13.761 2 H2 MET 1 H2 MET 1 21.796 18.384 -14.424 3 H3 MET 1 H3 MET 1 22.166 17.446 -13.143 4 HA MET 1 HA MET 1 23.077 16.465 -15.153 5 HB2 MET 1 HB2 MET 1 20.730 14.877 -14.001 6 HB3 MET 1 HB3 MET 1 21.952 14.214 -15.085 7 HG2 MET 1 HG2 MET 1 23.727 14.759 -13.441 8 HG3 MET 1 HG3 MET 1 22.495 15.351 -12.319 9 HE1 MET 1 HE1 MET 1 23.424 13.801 -10.413 10 HE2 MET 1 HE2 MET 1 23.687 12.053 -10.599 11 HE3 MET 1 HE3 MET 1 24.680 13.203 -11.521 12 H ARG 2 H ARG 2 22.730 15.493 -17.242 13 HA ARG 2 HA ARG 2 20.243 16.283 -18.716 14 HB2 ARG 2 HB2 ARG 2 23.121 16.840 -19.578 15 HB3 ARG 2 HB3 ARG 2 21.706 17.024 -20.613 16 HG2 ARG 2 HG2 ARG 2 20.762 18.684 -18.977 17 HG3 ARG 2 HG3 ARG 2 22.297 18.634 -18.095 18 HD2 ARG 2 HD2 ARG 2 21.960 19.407 -21.023 19 HD3 ARG 2 HD3 ARG 2 22.114 20.548 -19.677 20 HE ARG 2 HE ARG 2 24.359 18.901 -19.470 21 HH11 ARG 2 HH11 ARG 2 23.156 21.134 -21.890 22 HH12 ARG 2 HH12 ARG 2 24.752 21.487 -22.494 23 HH21 ARG 2 HH21 ARG 2 26.369 19.386 -20.296 24 HH22 ARG 2 HH22 ARG 2 26.522 20.522 -21.603 25 H GLY 3 H GLY 3 20.179 15.290 -20.907 26 HA2 GLY 3 HA2 GLY 3 20.678 13.561 -22.459 27 HA3 GLY 3 HA3 GLY 3 21.610 12.712 -21.238 28 H SER 4 H SER 4 20.604 10.758 -21.647 29 HA SER 4 HA SER 4 19.110 9.079 -21.614 30 HB2 SER 4 HB2 SER 4 17.796 10.617 -19.359 31 HB3 SER 4 HB3 SER 4 17.595 8.895 -19.719 32 HG SER 4 HG SER 4 19.184 9.265 -18.084 33 H HIS 5 H HIS 5 18.499 11.132 -23.554 34 HA HIS 5 HA HIS 5 15.628 11.478 -23.739 35 HB2 HIS 5 HB2 HIS 5 17.804 11.753 -25.845 36 HB3 HIS 5 HB3 HIS 5 16.131 12.269 -26.036 37 HD2 HIS 5 HD2 HIS 5 19.401 13.656 -25.108 38 HE1 HIS 5 HE1 HIS 5 16.633 16.257 -23.163 39 HE2 HIS 5 HE2 HIS 5 19.054 15.973 -23.895 40 H HIS 6 H HIS 6 14.127 10.506 -25.105 41 HA HIS 6 HA HIS 6 14.803 8.113 -26.674 42 HB2 HIS 6 HB2 HIS 6 14.511 7.303 -24.318 43 HB3 HIS 6 HB3 HIS 6 12.876 7.966 -24.312 44 HD2 HIS 6 HD2 HIS 6 14.974 5.397 -26.401 45 HE1 HIS 6 HE1 HIS 6 10.982 3.915 -26.171 46 HE2 HIS 6 HE2 HIS 6 13.338 3.429 -27.015 47 H HIS 7 H HIS 7 13.071 7.409 -28.046 48 HA HIS 7 HA HIS 7 10.969 9.507 -28.552 49 HB2 HIS 7 HB2 HIS 7 12.648 8.041 -30.616 50 HB3 HIS 7 HB3 HIS 7 11.378 9.214 -30.942 51 HD2 HIS 7 HD2 HIS 7 15.059 8.950 -30.105 52 HE1 HIS 7 HE1 HIS 7 14.197 13.128 -30.125 53 HE2 HIS 7 HE2 HIS 7 16.057 11.391 -30.060 54 H HIS 8 H HIS 8 11.822 6.119 -29.234 55 HA HIS 8 HA HIS 8 10.749 4.324 -29.973 56 HB2 HIS 8 HB2 HIS 8 9.380 4.616 -27.881 57 HB3 HIS 8 HB3 HIS 8 8.140 5.378 -28.875 58 HD2 HIS 8 HD2 HIS 8 10.006 1.988 -28.488 59 HE1 HIS 8 HE1 HIS 8 6.421 1.175 -30.648 60 HE2 HIS 8 HE2 HIS 8 8.472 0.132 -29.557 61 H HIS 9 H HIS 9 9.652 3.449 -31.759 62 HA HIS 9 HA HIS 9 8.171 5.180 -33.583 63 HB2 HIS 9 HB2 HIS 9 10.635 5.762 -33.934 64 HB3 HIS 9 HB3 HIS 9 10.878 4.107 -34.486 65 HD2 HIS 9 HD2 HIS 9 8.598 7.175 -35.365 66 HE1 HIS 9 HE1 HIS 9 9.427 5.120 -39.012 67 HE2 HIS 9 HE2 HIS 9 8.274 7.144 -37.981 68 H HIS 10 H HIS 10 7.433 4.072 -35.500 69 HA HIS 10 HA HIS 10 6.351 2.442 -36.574 70 HB2 HIS 10 HB2 HIS 10 8.822 2.019 -37.010 71 HB3 HIS 10 HB3 HIS 10 8.688 0.644 -35.922 72 HD2 HIS 10 HD2 HIS 10 6.590 1.929 -38.994 73 HE1 HIS 10 HE1 HIS 10 7.357 -2.222 -39.602 74 HE2 HIS 10 HE2 HIS 10 6.242 -0.151 -40.574 75 H GLY 11 H GLY 11 5.904 2.455 -33.540 76 HA2 GLY 11 HA2 GLY 11 4.705 -0.166 -33.012 77 HA3 GLY 11 HA3 GLY 11 4.425 1.326 -32.119 78 H SER 12 H SER 12 2.339 -0.444 -32.759 79 HA SER 12 HA SER 12 0.586 1.290 -34.385 80 HB2 SER 12 HB2 SER 12 1.609 -0.377 -35.962 81 HB3 SER 12 HB3 SER 12 0.855 -1.673 -35.013 82 HG SER 12 HG SER 12 -0.436 -0.986 -36.828 83 H GLY 58 H GLY 58 -1.556 1.192 -33.849 84 HA2 GLY 58 HA2 GLY 58 -2.243 0.210 -31.214 85 HA3 GLY 58 HA3 GLY 58 -3.318 1.024 -32.346 86 H ALA 59 H ALA 59 -3.776 -1.302 -30.607 87 HA ALA 59 HA ALA 59 -5.085 -3.093 -32.527 88 HB1 ALA 59 HB1 ALA 59 -2.952 -4.098 -30.579 89 HB2 ALA 59 HB2 ALA 59 -4.002 -5.126 -31.576 90 HB3 ALA 59 HB3 ALA 59 -2.814 -4.067 -32.347 91 H LEU 60 H LEU 60 -6.331 -4.840 -31.264 92 HA LEU 60 HA LEU 60 -7.685 -3.658 -28.905 93 HB2 LEU 60 HB2 LEU 60 -8.215 -6.225 -30.452 94 HB3 LEU 60 HB3 LEU 60 -9.200 -5.608 -29.131 95 HG LEU 60 HG LEU 60 -8.807 -4.238 -31.830 96 HD11 LEU 60 HD11 LEU 60 -11.216 -5.668 -30.632 97 HD12 LEU 60 HD12 LEU 60 -11.156 -4.842 -32.205 98 HD13 LEU 60 HD13 LEU 60 -10.175 -6.290 -31.932 99 HD21 LEU 60 HD21 LEU 60 -9.219 -2.543 -30.105 100 HD22 LEU 60 HD22 LEU 60 -10.668 -2.760 -31.086 101 HD23 LEU 60 HD23 LEU 60 -10.588 -3.488 -29.467 102 H ALA 61 H ALA 61 -7.835 -4.686 -26.897 103 HA ALA 61 HA ALA 61 -5.991 -6.960 -26.333 104 HB1 ALA 61 HB1 ALA 61 -6.325 -4.440 -24.648 105 HB2 ALA 61 HB2 ALA 61 -5.412 -5.887 -24.175 106 HB3 ALA 61 HB3 ALA 61 -4.873 -4.916 -25.557 107 H ALA 62 H ALA 62 -6.896 -8.573 -25.159 108 HA ALA 62 HA ALA 62 -9.722 -8.332 -24.329 109 HB1 ALA 62 HB1 ALA 62 -7.840 -10.719 -24.377 110 HB2 ALA 62 HB2 ALA 62 -9.579 -10.763 -24.026 111 HB3 ALA 62 HB3 ALA 62 -9.014 -10.286 -25.640 112 H LEU 63 H LEU 63 -10.471 -8.586 -22.257 113 HA LEU 63 HA LEU 63 -8.503 -8.548 -20.013 114 HB2 LEU 63 HB2 LEU 63 -11.175 -7.119 -20.080 115 HB3 LEU 63 HB3 LEU 63 -9.978 -7.053 -18.795 116 HG LEU 63 HG LEU 63 -9.685 -5.845 -21.584 117 HD11 LEU 63 HD11 LEU 63 -10.070 -4.537 -18.863 118 HD12 LEU 63 HD12 LEU 63 -9.891 -3.704 -20.422 119 HD13 LEU 63 HD13 LEU 63 -11.319 -4.702 -20.119 120 HD21 LEU 63 HD21 LEU 63 -7.471 -6.406 -20.782 121 HD22 LEU 63 HD22 LEU 63 -7.724 -4.669 -20.622 122 HD23 LEU 63 HD23 LEU 63 -7.825 -5.703 -19.179 123 H HIS 64 H HIS 64 -9.211 -9.573 -18.049 124 HA HIS 64 HA HIS 64 -11.214 -11.720 -18.268 125 HB2 HIS 64 HB2 HIS 64 -9.758 -10.525 -15.894 126 HB3 HIS 64 HB3 HIS 64 -10.825 -11.930 -15.817 127 HD2 HIS 64 HD2 HIS 64 -7.242 -11.040 -16.322 128 HE1 HIS 64 HE1 HIS 64 -7.593 -15.163 -17.314 129 HE2 HIS 64 HE2 HIS 64 -5.960 -13.295 -16.830 130 H ALA 65 H ALA 65 -13.372 -11.598 -17.711 131 HA ALA 65 HA ALA 65 -14.466 -8.900 -17.327 132 HB1 ALA 65 HB1 ALA 65 -15.806 -11.590 -17.802 133 HB2 ALA 65 HB2 ALA 65 -16.578 -9.997 -17.911 134 HB3 ALA 65 HB3 ALA 65 -15.301 -10.440 -19.064 135 H ASP 66 H ASP 66 -13.944 -11.691 -15.267 136 HA ASP 66 HA ASP 66 -15.493 -10.506 -13.041 137 HB2 ASP 66 HB2 ASP 66 -17.062 -11.841 -14.483 138 HB3 ASP 66 HB3 ASP 66 -16.054 -13.261 -14.210 139 H GLY 67 H GLY 67 -15.339 -11.915 -11.044 140 HA2 GLY 67 HA2 GLY 67 -14.219 -13.194 -9.486 141 HA3 GLY 67 HA3 GLY 67 -13.386 -13.970 -10.819 142 HA PRO 68 HA PRO 68 -10.200 -12.064 -8.150 143 HB2 PRO 68 HB2 PRO 68 -7.972 -13.329 -9.269 144 HB3 PRO 68 HB3 PRO 68 -9.061 -14.053 -8.042 145 HG2 PRO 68 HG2 PRO 68 -9.103 -14.397 -11.052 146 HG3 PRO 68 HG3 PRO 68 -9.242 -15.657 -9.784 147 HD2 PRO 68 HD2 PRO 68 -11.426 -14.685 -11.021 148 HD3 PRO 68 HD3 PRO 68 -11.463 -15.016 -9.260 149 H HIS 69 H HIS 69 -10.035 -12.151 -11.668 150 HA HIS 69 HA HIS 69 -8.022 -9.939 -11.736 151 HB2 HIS 69 HB2 HIS 69 -8.551 -12.255 -13.582 152 HB3 HIS 69 HB3 HIS 69 -7.429 -10.946 -13.921 153 HD2 HIS 69 HD2 HIS 69 -6.224 -13.646 -13.910 154 HE1 HIS 69 HE1 HIS 69 -4.598 -12.849 -10.061 155 HE2 HIS 69 HE2 HIS 69 -4.441 -14.368 -12.098 156 H ALA 70 H ALA 70 -11.155 -9.722 -11.784 157 HA ALA 70 HA ALA 70 -12.027 -8.983 -14.305 158 HB1 ALA 70 HB1 ALA 70 -12.799 -7.750 -11.632 159 HB2 ALA 70 HB2 ALA 70 -13.754 -7.684 -13.132 160 HB3 ALA 70 HB3 ALA 70 -13.462 -9.237 -12.328 161 H GLY 71 H GLY 71 -11.469 -7.485 -15.740 162 HA2 GLY 71 HA2 GLY 71 -10.948 -5.383 -16.617 163 HA3 GLY 71 HA3 GLY 71 -10.592 -4.767 -15.007 164 H LEU 72 H LEU 72 -8.777 -7.568 -15.145 165 HA LEU 72 HA LEU 72 -6.324 -6.142 -15.949 166 HB2 LEU 72 HB2 LEU 72 -6.661 -9.017 -15.049 167 HB3 LEU 72 HB3 LEU 72 -5.161 -8.127 -15.212 168 HG LEU 72 HG LEU 72 -7.281 -7.620 -13.103 169 HD11 LEU 72 HD11 LEU 72 -4.421 -8.614 -12.821 170 HD12 LEU 72 HD12 LEU 72 -5.693 -8.587 -11.585 171 HD13 LEU 72 HD13 LEU 72 -5.788 -9.715 -12.953 172 HD21 LEU 72 HD21 LEU 72 -6.189 -5.503 -13.685 173 HD22 LEU 72 HD22 LEU 72 -5.612 -6.078 -12.117 174 HD23 LEU 72 HD23 LEU 72 -4.587 -6.267 -13.556 175 HA PRO 73 HA PRO 73 -6.153 -7.945 -20.090 176 HB2 PRO 73 HB2 PRO 73 -3.430 -8.240 -20.437 177 HB3 PRO 73 HB3 PRO 73 -4.289 -6.678 -20.570 178 HG2 PRO 73 HG2 PRO 73 -2.807 -7.846 -18.195 179 HG3 PRO 73 HG3 PRO 73 -2.694 -6.181 -18.853 180 HD2 PRO 73 HD2 PRO 73 -4.227 -6.712 -16.703 181 HD3 PRO 73 HD3 PRO 73 -4.793 -5.571 -17.951 182 H VAL 74 H VAL 74 -5.979 -9.997 -21.091 183 HA VAL 74 HA VAL 74 -5.689 -12.205 -19.178 184 HB VAL 74 HB VAL 74 -6.440 -12.440 -22.098 185 HG11 VAL 74 HG11 VAL 74 -6.832 -14.238 -19.669 186 HG12 VAL 74 HG12 VAL 74 -7.498 -14.540 -21.289 187 HG13 VAL 74 HG13 VAL 74 -5.750 -14.549 -21.048 188 HG21 VAL 74 HG21 VAL 74 -8.055 -10.951 -21.007 189 HG22 VAL 74 HG22 VAL 74 -8.784 -12.527 -21.283 190 HG23 VAL 74 HG23 VAL 74 -8.230 -12.091 -19.652 191 H THR 75 H THR 75 -4.040 -11.404 -22.340 192 HA THR 75 HA THR 75 -1.890 -13.327 -21.610 193 HB THR 75 HB THR 75 -1.383 -13.424 -23.908 194 HG1 THR 75 HG1 THR 75 -2.722 -12.084 -25.374 195 HG21 THR 75 HG21 THR 75 -4.416 -13.337 -23.853 196 HG22 THR 75 HG22 THR 75 -3.375 -14.249 -24.962 197 HG23 THR 75 HG23 THR 75 -3.439 -14.698 -23.253 198 H ARG 76 H ARG 76 0.356 -12.755 -22.430 199 HA ARG 76 HA ARG 76 1.263 -10.207 -21.391 200 HB2 ARG 76 HB2 ARG 76 2.736 -11.977 -23.396 201 HB3 ARG 76 HB3 ARG 76 3.420 -10.750 -22.321 202 HG2 ARG 76 HG2 ARG 76 2.505 -12.206 -20.378 203 HG3 ARG 76 HG3 ARG 76 2.301 -13.475 -21.589 204 HD2 ARG 76 HD2 ARG 76 4.831 -12.154 -20.585 205 HD3 ARG 76 HD3 ARG 76 4.425 -13.870 -20.592 206 HE ARG 76 HE ARG 76 5.675 -12.292 -22.707 207 HH11 ARG 76 HH11 ARG 76 3.933 -15.333 -22.298 208 HH12 ARG 76 HH12 ARG 76 4.590 -15.959 -23.783 209 HH21 ARG 76 HH21 ARG 76 6.419 -13.054 -24.391 210 HH22 ARG 76 HH22 ARG 76 6.017 -14.661 -25.009 211 H SER 77 H SER 77 0.388 -11.265 -24.678 212 HA SER 77 HA SER 77 1.086 -8.819 -26.003 213 HB2 SER 77 HB2 SER 77 -1.001 -10.914 -26.698 214 HB3 SER 77 HB3 SER 77 -0.489 -9.587 -27.765 215 HG SER 77 HG SER 77 0.647 -11.677 -28.038 216 H ASP 78 H ASP 78 -2.000 -9.814 -24.360 217 HA ASP 78 HA ASP 78 -3.407 -7.381 -24.939 218 HB2 ASP 78 HB2 ASP 78 -3.599 -9.184 -22.499 219 HB3 ASP 78 HB3 ASP 78 -4.727 -7.901 -22.904 220 H ALA 79 H ALA 79 -1.317 -8.239 -22.123 221 HA ALA 79 HA ALA 79 -1.428 -5.708 -20.806 222 HB1 ALA 79 HB1 ALA 79 0.786 -7.755 -20.842 223 HB2 ALA 79 HB2 ALA 79 0.502 -6.483 -19.617 224 HB3 ALA 79 HB3 ALA 79 -0.656 -7.813 -19.812 225 H ARG 80 H ARG 80 0.900 -6.859 -23.274 226 HA ARG 80 HA ARG 80 2.458 -4.478 -23.499 227 HB2 ARG 80 HB2 ARG 80 2.947 -6.798 -24.408 228 HB3 ARG 80 HB3 ARG 80 1.775 -6.494 -25.685 229 HG2 ARG 80 HG2 ARG 80 3.147 -4.546 -26.465 230 HG3 ARG 80 HG3 ARG 80 4.297 -4.865 -25.155 231 HD2 ARG 80 HD2 ARG 80 5.168 -5.793 -27.209 232 HD3 ARG 80 HD3 ARG 80 4.762 -7.096 -26.101 233 HE ARG 80 HE ARG 80 3.018 -6.204 -28.401 234 HH11 ARG 80 HH11 ARG 80 4.497 -8.932 -26.719 235 HH12 ARG 80 HH12 ARG 80 3.554 -10.103 -27.603 236 HH21 ARG 80 HH21 ARG 80 1.940 -7.765 -29.548 237 HH22 ARG 80 HH22 ARG 80 2.184 -9.457 -29.179 238 H VAL 81 H VAL 81 -0.555 -5.382 -25.230 239 HA VAL 81 HA VAL 81 -0.549 -2.989 -26.899 240 HB VAL 81 HB VAL 81 -2.635 -5.115 -26.311 241 HG11 VAL 81 HG11 VAL 81 -2.834 -2.756 -28.239 242 HG12 VAL 81 HG12 VAL 81 -3.914 -4.166 -28.222 243 HG13 VAL 81 HG13 VAL 81 -3.893 -3.068 -26.847 244 HG21 VAL 81 HG21 VAL 81 -0.650 -5.736 -27.746 245 HG22 VAL 81 HG22 VAL 81 -2.186 -5.790 -28.619 246 HG23 VAL 81 HG23 VAL 81 -1.075 -4.419 -28.849 247 H LEU 82 H LEU 82 -2.060 -3.851 -23.775 248 HA LEU 82 HA LEU 82 -3.504 -1.369 -23.453 249 HB2 LEU 82 HB2 LEU 82 -2.256 -3.264 -21.419 250 HB3 LEU 82 HB3 LEU 82 -3.131 -1.816 -20.961 251 HG LEU 82 HG LEU 82 -4.307 -4.224 -22.390 252 HD11 LEU 82 HD11 LEU 82 -4.862 -2.999 -19.654 253 HD12 LEU 82 HD12 LEU 82 -5.477 -4.537 -20.297 254 HD13 LEU 82 HD13 LEU 82 -3.756 -4.356 -19.928 255 HD21 LEU 82 HD21 LEU 82 -5.497 -2.266 -23.231 256 HD22 LEU 82 HD22 LEU 82 -6.501 -3.094 -22.045 257 HD23 LEU 82 HD23 LEU 82 -5.644 -1.608 -21.581 258 H ILE 83 H ILE 83 -0.141 -2.239 -22.430 259 HA ILE 83 HA ILE 83 0.559 0.341 -21.457 260 HB ILE 83 HB ILE 83 2.265 -1.827 -22.732 261 HG12 ILE 83 HG12 ILE 83 2.178 -0.896 -19.830 262 HG13 ILE 83 HG13 ILE 83 1.094 -2.141 -20.436 263 HG21 ILE 83 HG21 ILE 83 3.090 0.884 -21.610 264 HG22 ILE 83 HG22 ILE 83 4.207 -0.474 -21.637 265 HG23 ILE 83 HG23 ILE 83 3.557 0.134 -23.156 266 HD11 ILE 83 HD11 ILE 83 4.133 -2.327 -20.388 267 HD12 ILE 83 HD12 ILE 83 2.976 -3.218 -19.389 268 HD13 ILE 83 HD13 ILE 83 3.047 -3.522 -21.135 269 H PHE 84 H PHE 84 0.946 -0.963 -24.815 270 HA PHE 84 HA PHE 84 2.036 1.411 -25.869 271 HB2 PHE 84 HB2 PHE 84 2.035 -0.825 -26.982 272 HB3 PHE 84 HB3 PHE 84 0.322 -0.632 -27.336 273 HD1 PHE 84 HD2 PHE 84 3.670 0.984 -27.805 274 HD2 PHE 84 HD1 PHE 84 -0.382 0.669 -29.233 275 HE1 PHE 84 HE2 PHE 84 4.258 2.406 -29.733 276 HE2 PHE 84 HE1 PHE 84 0.199 2.126 -31.172 277 HZ PHE 84 HZ PHE 84 2.514 2.991 -31.429 278 H ASN 85 H ASN 85 -1.443 0.407 -25.985 279 HA ASN 85 HA ASN 85 -2.347 2.732 -27.342 280 HB2 ASN 85 HB2 ASN 85 -3.569 0.549 -27.090 281 HB3 ASN 85 HB3 ASN 85 -3.842 0.924 -25.387 282 HD21 ASN 85 HD22 ASN 85 -6.158 0.771 -25.804 283 HD22 ASN 85 HD21 ASN 85 -6.975 2.087 -26.629 284 H ASP 86 H ASP 86 -2.172 2.079 -23.790 285 HA ASP 86 HA ASP 86 -3.280 4.591 -22.964 286 HB2 ASP 86 HB2 ASP 86 -3.077 2.609 -21.499 287 HB3 ASP 86 HB3 ASP 86 -1.315 2.753 -21.549 288 H TRP 87 H TRP 87 0.152 3.560 -23.498 289 HA TRP 87 HA TRP 87 1.375 6.049 -22.862 290 HB2 TRP 87 HB2 TRP 87 2.753 4.118 -23.097 291 HB3 TRP 87 HB3 TRP 87 2.126 3.771 -24.704 292 HD1 TRP 87 HD1 TRP 87 4.435 6.318 -22.970 293 HE1 TRP 87 HE1 TRP 87 6.146 7.160 -24.718 294 HE3 TRP 87 HE3 TRP 87 2.437 4.239 -27.223 295 HZ2 TRP 87 HZ2 TRP 87 6.652 6.867 -27.496 296 HZ3 TRP 87 HZ3 TRP 87 3.476 4.695 -29.427 297 HH2 TRP 87 HH2 TRP 87 5.612 5.940 -29.582 298 H GLU 88 H GLU 88 0.174 4.882 -26.102 299 HA GLU 88 HA GLU 88 0.977 7.177 -27.493 300 HB2 GLU 88 HB2 GLU 88 0.163 4.793 -28.210 301 HB3 GLU 88 HB3 GLU 88 -1.444 5.490 -28.254 302 HG2 GLU 88 HG2 GLU 88 0.992 6.592 -29.715 303 HG3 GLU 88 HG3 GLU 88 -0.031 5.328 -30.384 304 H GLU 89 H GLU 89 -2.251 6.492 -25.969 305 HA GLU 89 HA GLU 89 -3.457 8.973 -26.679 306 HB2 GLU 89 HB2 GLU 89 -4.455 6.773 -25.834 307 HB3 GLU 89 HB3 GLU 89 -4.021 7.278 -24.208 308 HG2 GLU 89 HG2 GLU 89 -5.781 8.852 -26.145 309 HG3 GLU 89 HG3 GLU 89 -6.388 7.668 -24.996 310 H ARG 90 H ARG 90 -1.701 8.014 -23.655 311 HA ARG 90 HA ARG 90 -1.824 10.675 -22.536 312 HB2 ARG 90 HB2 ARG 90 0.053 8.358 -21.929 313 HB3 ARG 90 HB3 ARG 90 -0.025 9.858 -21.005 314 HG2 ARG 90 HG2 ARG 90 -2.343 7.900 -21.291 315 HG3 ARG 90 HG3 ARG 90 -1.249 8.018 -19.913 316 HD2 ARG 90 HD2 ARG 90 -2.017 10.378 -19.547 317 HD3 ARG 90 HD3 ARG 90 -3.143 10.196 -20.891 318 HE ARG 90 HE ARG 90 -4.458 8.670 -19.683 319 HH11 ARG 90 HH11 ARG 90 -1.857 9.833 -17.619 320 HH12 ARG 90 HH12 ARG 90 -2.647 9.281 -16.170 321 HH21 ARG 90 HH21 ARG 90 -5.389 7.984 -17.800 322 HH22 ARG 90 HH22 ARG 90 -4.599 8.261 -16.275 323 H LYS 91 H LYS 91 0.434 9.265 -24.885 324 HA LYS 91 HA LYS 91 2.275 11.483 -24.759 325 HB2 LYS 91 HB2 LYS 91 2.835 9.239 -25.691 326 HB3 LYS 91 HB3 LYS 91 1.793 9.581 -27.082 327 HG2 LYS 91 HG2 LYS 91 3.232 11.542 -27.641 328 HG3 LYS 91 HG3 LYS 91 4.235 11.199 -26.217 329 HD2 LYS 91 HD2 LYS 91 4.814 8.977 -27.192 330 HD3 LYS 91 HD3 LYS 91 3.839 9.363 -28.625 331 HE2 LYS 91 HE2 LYS 91 5.253 11.388 -29.026 332 HE3 LYS 91 HE3 LYS 91 6.251 10.969 -27.631 333 HZ1 LYS 91 HZ1 LYS 91 5.946 9.253 -30.058 334 HZ2 LYS 91 HZ2 LYS 91 7.224 10.221 -29.763 335 HZ3 LYS 91 HZ3 LYS 91 6.952 8.943 -28.795 336 H ARG 92 H ARG 92 -0.687 10.914 -26.696 337 HA ARG 92 HA ARG 92 -0.574 13.446 -28.112 338 HB2 ARG 92 HB2 ARG 92 -2.959 11.731 -27.294 339 HB3 ARG 92 HB3 ARG 92 -3.071 13.177 -28.296 340 HG2 ARG 92 HG2 ARG 92 -1.647 12.193 -30.012 341 HG3 ARG 92 HG3 ARG 92 -1.351 10.768 -29.011 342 HD2 ARG 92 HD2 ARG 92 -3.812 10.275 -29.051 343 HD3 ARG 92 HD3 ARG 92 -4.030 11.613 -30.189 344 HE ARG 92 HE ARG 92 -2.497 9.064 -30.619 345 HH11 ARG 92 HH11 ARG 92 -4.095 11.781 -32.216 346 HH12 ARG 92 HH12 ARG 92 -3.612 11.207 -33.789 347 HH21 ARG 92 HH21 ARG 92 -1.740 8.606 -32.487 348 HH22 ARG 92 HH22 ARG 92 -2.340 9.353 -33.969 349 H SER 93 H SER 93 -1.860 12.631 -24.848 350 HA SER 93 HA SER 93 -2.538 15.392 -24.268 351 HB2 SER 93 HB2 SER 93 -1.910 13.109 -22.367 352 HB3 SER 93 HB3 SER 93 -2.572 14.688 -21.906 353 HG SER 93 HG SER 93 -4.257 13.159 -22.218 354 H GLU 94 H GLU 94 0.454 13.548 -23.655 355 HA GLU 94 HA GLU 94 1.928 15.980 -22.740 356 HB2 GLU 94 HB2 GLU 94 1.739 13.252 -21.404 357 HB3 GLU 94 HB3 GLU 94 2.869 14.525 -20.967 358 HG2 GLU 94 HG2 GLU 94 0.944 16.038 -20.470 359 HG3 GLU 94 HG3 GLU 94 -0.167 14.706 -20.798 360 HA PRO 95 HA PRO 95 3.891 13.851 -26.190 361 HB2 PRO 95 HB2 PRO 95 5.619 15.792 -27.112 362 HB3 PRO 95 HB3 PRO 95 3.845 15.821 -27.333 363 HG2 PRO 95 HG2 PRO 95 5.466 17.192 -25.160 364 HG3 PRO 95 HG3 PRO 95 4.213 17.911 -26.226 365 HD2 PRO 95 HD2 PRO 95 3.590 17.079 -23.737 366 HD3 PRO 95 HD3 PRO 95 2.466 16.760 -25.094 367 H TRP 96 H TRP 96 5.640 14.589 -23.369 368 HA TRP 96 HA TRP 96 8.273 13.643 -24.227 369 HB2 TRP 96 HB2 TRP 96 8.816 14.049 -21.840 370 HB3 TRP 96 HB3 TRP 96 8.123 15.431 -22.663 371 HD1 TRP 96 HD1 TRP 96 6.944 12.594 -20.312 372 HE1 TRP 96 HE1 TRP 96 5.124 13.516 -18.738 373 HE3 TRP 96 HE3 TRP 96 6.392 17.258 -22.360 374 HZ2 TRP 96 HZ2 TRP 96 3.614 15.963 -18.433 375 HZ3 TRP 96 HZ3 TRP 96 4.694 18.832 -21.459 376 HH2 TRP 96 HH2 TRP 96 3.314 18.203 -19.491 377 H LEU 97 H LEU 97 5.525 11.882 -23.620 378 HA LEU 97 HA LEU 97 6.155 10.179 -21.579 379 HB2 LEU 97 HB2 LEU 97 4.023 10.529 -23.232 380 HB3 LEU 97 HB3 LEU 97 4.605 9.046 -23.893 381 HG LEU 97 HG LEU 97 3.196 8.120 -22.406 382 HD11 LEU 97 HD11 LEU 97 5.176 8.857 -20.197 383 HD12 LEU 97 HD12 LEU 97 3.989 7.546 -20.197 384 HD13 LEU 97 HD13 LEU 97 5.358 7.464 -21.292 385 HD21 LEU 97 HD21 LEU 97 2.219 10.268 -21.848 386 HD22 LEU 97 HD22 LEU 97 2.296 9.181 -20.449 387 HD23 LEU 97 HD23 LEU 97 3.456 10.531 -20.600 388 H ARG 98 H ARG 98 7.591 8.583 -21.207 389 HA ARG 98 HA ARG 98 9.163 7.346 -23.373 390 HB2 ARG 98 HB2 ARG 98 10.125 8.266 -21.234 391 HB3 ARG 98 HB3 ARG 98 9.320 6.963 -20.353 392 HG2 ARG 98 HG2 ARG 98 10.646 5.301 -21.720 393 HG3 ARG 98 HG3 ARG 98 11.489 6.658 -22.483 394 HD2 ARG 98 HD2 ARG 98 11.455 5.969 -19.512 395 HD3 ARG 98 HD3 ARG 98 12.788 5.653 -20.610 396 HE ARG 98 HE ARG 98 11.959 8.250 -19.453 397 HH11 ARG 98 HH11 ARG 98 14.213 6.704 -21.675 398 HH12 ARG 98 HH12 ARG 98 15.195 8.161 -21.767 399 HH21 ARG 98 HH21 ARG 98 13.293 10.038 -19.686 400 HH22 ARG 98 HH22 ARG 98 14.705 9.909 -20.718 401 H LEU 99 H LEU 99 9.247 5.140 -23.862 402 HA LEU 99 HA LEU 99 6.957 3.488 -22.871 403 HB2 LEU 99 HB2 LEU 99 6.640 4.377 -25.106 404 HB3 LEU 99 HB3 LEU 99 8.128 3.675 -25.668 405 HG LEU 99 HG LEU 99 5.945 2.565 -26.344 406 HD11 LEU 99 HD11 LEU 99 7.808 0.666 -24.862 407 HD12 LEU 99 HD12 LEU 99 6.851 0.370 -26.309 408 HD13 LEU 99 HD13 LEU 99 8.230 1.457 -26.392 409 HD21 LEU 99 HD21 LEU 99 4.804 2.695 -24.151 410 HD22 LEU 99 HD22 LEU 99 4.794 1.094 -24.905 411 HD23 LEU 99 HD23 LEU 99 5.881 1.415 -23.543 412 H ASP 100 H ASP 100 7.487 1.713 -21.833 413 HA ASP 100 HA ASP 100 9.674 -0.028 -22.829 414 HB2 ASP 100 HB2 ASP 100 9.248 0.767 -19.919 415 HB3 ASP 100 HB3 ASP 100 10.159 -0.651 -20.424 416 H MET 101 H MET 101 8.728 -1.931 -23.382 417 HA MET 101 HA MET 101 6.698 -3.154 -21.632 418 HB2 MET 101 HB2 MET 101 4.990 -3.384 -23.342 419 HB3 MET 101 HB3 MET 101 5.350 -1.707 -22.988 420 HG2 MET 101 HG2 MET 101 6.689 -1.508 -25.036 421 HG3 MET 101 HG3 MET 101 6.308 -3.187 -25.436 422 HE1 MET 101 HE1 MET 101 5.676 -2.275 -27.729 423 HE2 MET 101 HE2 MET 101 4.109 -1.532 -28.111 424 HE3 MET 101 HE3 MET 101 5.434 -0.516 -27.526 425 H SER 102 H SER 102 9.281 -3.991 -22.041 426 HA SER 102 HA SER 102 9.351 -6.369 -23.735 427 HB2 SER 102 HB2 SER 102 11.393 -5.247 -22.960 428 HB3 SER 102 HB3 SER 102 10.982 -5.616 -21.274 429 HG SER 102 HG SER 102 12.472 -7.132 -22.313 430 H ASP 103 H ASP 103 9.330 -8.593 -22.899 431 HA ASP 103 HA ASP 103 7.001 -9.331 -21.472 432 HB2 ASP 103 HB2 ASP 103 9.599 -10.876 -21.841 433 HB3 ASP 103 HB3 ASP 103 8.057 -11.568 -21.342 434 H LYS 104 H LYS 104 10.326 -8.872 -20.248 435 HA LYS 104 HA LYS 104 9.796 -9.712 -17.529 436 HB2 LYS 104 HB2 LYS 104 11.959 -7.895 -18.673 437 HB3 LYS 104 HB3 LYS 104 11.902 -8.486 -17.004 438 HG2 LYS 104 HG2 LYS 104 11.909 -10.843 -17.858 439 HG3 LYS 104 HG3 LYS 104 12.102 -10.217 -19.508 440 HD2 LYS 104 HD2 LYS 104 14.234 -9.108 -18.822 441 HD3 LYS 104 HD3 LYS 104 13.996 -9.702 -17.176 442 HE2 LYS 104 HE2 LYS 104 15.588 -11.147 -18.175 443 HE3 LYS 104 HE3 LYS 104 14.086 -12.060 -18.028 444 HZ1 LYS 104 HZ1 LYS 104 15.062 -10.765 -20.536 445 HZ2 LYS 104 HZ2 LYS 104 15.153 -12.358 -20.211 446 HZ3 LYS 104 HZ3 LYS 104 13.694 -11.662 -20.417 447 H ALA 105 H ALA 105 9.616 -6.505 -19.091 448 HA ALA 105 HA ALA 105 8.948 -5.055 -16.682 449 HB1 ALA 105 HB1 ALA 105 8.358 -4.364 -19.596 450 HB2 ALA 105 HB2 ALA 105 8.316 -3.255 -18.214 451 HB3 ALA 105 HB3 ALA 105 9.856 -3.969 -18.714 452 H ILE 106 H ILE 106 6.980 -6.673 -19.187 453 HA ILE 106 HA ILE 106 4.376 -6.027 -18.116 454 HB ILE 106 HB ILE 106 5.318 -8.326 -19.847 455 HG12 ILE 106 HG12 ILE 106 3.711 -5.854 -20.630 456 HG13 ILE 106 HG13 ILE 106 5.465 -5.845 -20.670 457 HG21 ILE 106 HG21 ILE 106 2.481 -7.415 -19.151 458 HG22 ILE 106 HG22 ILE 106 2.883 -8.560 -20.445 459 HG23 ILE 106 HG23 ILE 106 3.211 -8.992 -18.763 460 HD11 ILE 106 HD11 ILE 106 3.700 -7.694 -22.311 461 HD12 ILE 106 HD12 ILE 106 4.638 -6.302 -22.873 462 HD13 ILE 106 HD13 ILE 106 5.477 -7.737 -22.262 463 H PHE 107 H PHE 107 6.481 -8.935 -17.462 464 HA PHE 107 HA PHE 107 4.756 -9.946 -15.415 465 HB2 PHE 107 HB2 PHE 107 7.768 -10.200 -15.736 466 HB3 PHE 107 HB3 PHE 107 6.795 -11.156 -14.632 467 HD1 PHE 107 HD2 PHE 107 4.410 -11.767 -16.489 468 HD2 PHE 107 HD1 PHE 107 8.686 -11.948 -17.047 469 HE1 PHE 107 HE2 PHE 107 4.122 -13.610 -18.116 470 HE2 PHE 107 HE1 PHE 107 8.391 -13.812 -18.653 471 HZ PHE 107 HZ PHE 107 6.116 -14.656 -19.180 472 H ARG 108 H ARG 108 7.464 -7.597 -15.112 473 HA ARG 108 HA ARG 108 7.358 -7.473 -12.229 474 HB2 ARG 108 HB2 ARG 108 8.437 -5.574 -14.348 475 HB3 ARG 108 HB3 ARG 108 8.612 -5.258 -12.630 476 HG2 ARG 108 HG2 ARG 108 9.649 -7.857 -13.841 477 HG3 ARG 108 HG3 ARG 108 10.567 -6.357 -13.901 478 HD2 ARG 108 HD2 ARG 108 11.383 -7.526 -12.031 479 HD3 ARG 108 HD3 ARG 108 10.421 -6.191 -11.409 480 HE ARG 108 HE ARG 108 9.357 -9.001 -11.656 481 HH11 ARG 108 HH11 ARG 108 10.030 -6.298 -9.515 482 HH12 ARG 108 HH12 ARG 108 9.203 -7.044 -8.176 483 HH21 ARG 108 HH21 ARG 108 8.296 -9.871 -9.909 484 HH22 ARG 108 HH22 ARG 108 8.257 -9.013 -8.400 485 H ARG 109 H ARG 109 5.671 -5.510 -14.681 486 HA ARG 109 HA ARG 109 4.358 -3.865 -12.632 487 HB2 ARG 109 HB2 ARG 109 4.968 -3.161 -15.026 488 HB3 ARG 109 HB3 ARG 109 3.565 -4.102 -15.561 489 HG2 ARG 109 HG2 ARG 109 2.142 -2.705 -13.979 490 HG3 ARG 109 HG3 ARG 109 3.590 -1.762 -13.593 491 HD2 ARG 109 HD2 ARG 109 3.790 -1.240 -16.071 492 HD3 ARG 109 HD3 ARG 109 2.202 -1.970 -16.305 493 HE ARG 109 HE ARG 109 2.840 0.636 -15.190 494 HH11 ARG 109 HH11 ARG 109 0.320 -1.809 -14.979 495 HH12 ARG 109 HH12 ARG 109 -0.869 -0.650 -14.459 496 HH21 ARG 109 HH21 ARG 109 1.282 2.033 -14.500 497 HH22 ARG 109 HH22 ARG 109 -0.329 1.466 -14.180 498 H TYR 110 H TYR 110 3.421 -6.647 -14.613 499 HA TYR 110 HA TYR 110 0.900 -7.000 -13.042 500 HB2 TYR 110 HB2 TYR 110 1.418 -7.352 -16.014 501 HB3 TYR 110 HB3 TYR 110 0.018 -7.953 -15.162 502 HD1 TYR 110 HD2 TYR 110 -1.540 -6.320 -13.962 503 HD2 TYR 110 HD1 TYR 110 1.373 -5.172 -16.933 504 HE1 TYR 110 HE2 TYR 110 -2.920 -4.331 -14.550 505 HE2 TYR 110 HE1 TYR 110 -0.004 -3.176 -17.513 506 HH TYR 110 HH TYR 110 -1.965 -2.000 -17.104 507 HA PRO 111 HA PRO 111 3.510 -10.810 -12.595 508 HB2 PRO 111 HB2 PRO 111 2.738 -11.523 -10.064 509 HB3 PRO 111 HB3 PRO 111 3.977 -10.278 -10.406 510 HG2 PRO 111 HG2 PRO 111 1.026 -9.858 -9.824 511 HG3 PRO 111 HG3 PRO 111 2.429 -9.034 -9.066 512 HD2 PRO 111 HD2 PRO 111 1.046 -7.902 -11.103 513 HD3 PRO 111 HD3 PRO 111 2.828 -7.743 -11.017 514 H HIS 112 H HIS 112 0.042 -10.315 -12.467 515 HA HIS 112 HA HIS 112 -0.770 -13.044 -12.180 516 HB2 HIS 112 HB2 HIS 112 -2.921 -12.276 -12.611 517 HB3 HIS 112 HB3 HIS 112 -2.141 -10.938 -11.779 518 HD2 HIS 112 HD2 HIS 112 -3.758 -11.965 -15.058 519 HE1 HIS 112 HE1 HIS 112 -2.418 -7.977 -15.705 520 HE2 HIS 112 HE2 HIS 112 -3.783 -9.909 -16.682 521 H LEU 113 H LEU 113 0.689 -11.521 -14.929 522 HA LEU 113 HA LEU 113 -0.525 -13.224 -16.955 523 HB2 LEU 113 HB2 LEU 113 2.029 -11.552 -16.988 524 HB3 LEU 113 HB3 LEU 113 1.490 -12.534 -18.327 525 HG LEU 113 HG LEU 113 0.878 -10.339 -18.899 526 HD11 LEU 113 HD11 LEU 113 -1.705 -11.477 -17.754 527 HD12 LEU 113 HD12 LEU 113 -1.518 -10.384 -19.133 528 HD13 LEU 113 HD13 LEU 113 -0.954 -12.066 -19.250 529 HD21 LEU 113 HD21 LEU 113 1.138 -9.310 -16.836 530 HD22 LEU 113 HD22 LEU 113 -0.412 -8.839 -17.557 531 HD23 LEU 113 HD23 LEU 113 -0.374 -10.007 -16.212 532 H ARG 114 H ARG 114 1.619 -13.986 -14.446 533 HA ARG 114 HA ARG 114 2.597 -16.447 -15.818 534 HB2 ARG 114 HB2 ARG 114 3.501 -15.106 -13.242 535 HB3 ARG 114 HB3 ARG 114 4.039 -16.688 -13.811 536 HG2 ARG 114 HG2 ARG 114 4.775 -15.457 -15.992 537 HG3 ARG 114 HG3 ARG 114 4.513 -13.969 -15.070 538 HD2 ARG 114 HD2 ARG 114 6.842 -14.504 -14.939 539 HD3 ARG 114 HD3 ARG 114 6.125 -14.806 -13.343 540 HE ARG 114 HE ARG 114 6.138 -17.191 -14.994 541 HH11 ARG 114 HH11 ARG 114 8.345 -15.287 -13.047 542 HH12 ARG 114 HH12 ARG 114 9.383 -16.652 -12.733 543 HH21 ARG 114 HH21 ARG 114 7.482 -18.879 -14.545 544 HH22 ARG 114 HH22 ARG 114 8.903 -18.637 -13.573 Start of MODEL 16 1 H1 MET 1 H1 MET 1 18.947 2.953 -4.759 2 H2 MET 1 H2 MET 1 20.408 3.681 -4.811 3 H3 MET 1 H3 MET 1 20.315 2.051 -4.843 4 HA MET 1 HA MET 1 20.816 2.893 -7.055 5 HB2 MET 1 HB2 MET 1 17.999 1.711 -6.830 6 HB3 MET 1 HB3 MET 1 18.876 1.931 -8.336 7 HG2 MET 1 HG2 MET 1 19.185 -0.312 -7.808 8 HG3 MET 1 HG3 MET 1 20.714 0.469 -7.455 9 HE1 MET 1 HE1 MET 1 17.693 -1.587 -6.165 10 HE2 MET 1 HE2 MET 1 17.783 -1.432 -4.398 11 HE3 MET 1 HE3 MET 1 17.276 -0.045 -5.382 12 H ARG 2 H ARG 2 20.278 4.223 -8.860 13 HA ARG 2 HA ARG 2 18.345 6.448 -8.289 14 HB2 ARG 2 HB2 ARG 2 19.933 8.069 -9.075 15 HB3 ARG 2 HB3 ARG 2 20.592 7.152 -7.731 16 HG2 ARG 2 HG2 ARG 2 21.993 5.816 -9.285 17 HG3 ARG 2 HG3 ARG 2 21.260 6.642 -10.667 18 HD2 ARG 2 HD2 ARG 2 23.417 7.624 -10.238 19 HD3 ARG 2 HD3 ARG 2 22.151 8.804 -9.853 20 HE ARG 2 HE ARG 2 22.994 7.254 -7.528 21 HH11 ARG 2 HH11 ARG 2 23.972 10.020 -9.447 22 HH12 ARG 2 HH12 ARG 2 24.835 10.751 -8.122 23 HH21 ARG 2 HH21 ARG 2 24.097 8.250 -5.874 24 HH22 ARG 2 HH22 ARG 2 24.907 9.762 -6.154 25 H GLY 3 H GLY 3 18.387 3.993 -10.240 26 HA2 GLY 3 HA2 GLY 3 16.549 5.075 -12.067 27 HA3 GLY 3 HA3 GLY 3 18.105 5.064 -12.898 28 H SER 4 H SER 4 15.695 3.569 -13.532 29 HA SER 4 HA SER 4 16.881 0.868 -13.807 30 HB2 SER 4 HB2 SER 4 14.864 -0.256 -12.948 31 HB3 SER 4 HB3 SER 4 15.677 0.699 -11.697 32 HG SER 4 HG SER 4 13.400 1.038 -11.675 33 H HIS 5 H HIS 5 14.472 3.222 -14.865 34 HA HIS 5 HA HIS 5 13.079 1.646 -16.753 35 HB2 HIS 5 HB2 HIS 5 13.621 4.635 -16.854 36 HB3 HIS 5 HB3 HIS 5 12.298 3.776 -17.636 37 HD2 HIS 5 HD2 HIS 5 10.314 2.803 -16.001 38 HE1 HIS 5 HE1 HIS 5 11.395 5.079 -12.556 39 HE2 HIS 5 HE2 HIS 5 9.587 3.621 -13.598 40 H HIS 6 H HIS 6 13.110 1.566 -19.015 41 HA HIS 6 HA HIS 6 15.383 2.662 -20.526 42 HB2 HIS 6 HB2 HIS 6 16.303 0.519 -19.754 43 HB3 HIS 6 HB3 HIS 6 14.891 -0.338 -20.374 44 HD2 HIS 6 HD2 HIS 6 17.740 1.966 -21.770 45 HE1 HIS 6 HE1 HIS 6 16.690 -0.792 -24.854 46 HE2 HIS 6 HE2 HIS 6 18.253 1.115 -24.213 47 H HIS 7 H HIS 7 14.498 3.585 -22.257 48 HA HIS 7 HA HIS 7 11.797 3.029 -23.107 49 HB2 HIS 7 HB2 HIS 7 12.802 5.268 -23.196 50 HB3 HIS 7 HB3 HIS 7 13.957 4.715 -24.411 51 HD2 HIS 7 HD2 HIS 7 13.113 4.537 -26.922 52 HE1 HIS 7 HE1 HIS 7 9.135 5.948 -26.308 53 HE2 HIS 7 HE2 HIS 7 10.879 5.350 -28.064 54 H HIS 8 H HIS 8 11.168 1.352 -24.271 55 HA HIS 8 HA HIS 8 12.801 0.280 -26.528 56 HB2 HIS 8 HB2 HIS 8 13.535 -0.996 -24.582 57 HB3 HIS 8 HB3 HIS 8 11.867 -1.342 -24.126 58 HD2 HIS 8 HD2 HIS 8 10.852 -3.536 -25.076 59 HE1 HIS 8 HE1 HIS 8 13.593 -4.306 -28.253 60 HE2 HIS 8 HE2 HIS 8 11.589 -5.216 -26.973 61 H HIS 9 H HIS 9 11.445 0.357 -28.209 62 HA HIS 9 HA HIS 9 8.555 -0.279 -27.855 63 HB2 HIS 9 HB2 HIS 9 7.899 1.772 -28.866 64 HB3 HIS 9 HB3 HIS 9 9.053 2.200 -27.611 65 HD2 HIS 9 HD2 HIS 9 11.646 2.808 -28.511 66 HE1 HIS 9 HE1 HIS 9 10.400 3.841 -32.458 67 HE2 HIS 9 HE2 HIS 9 12.314 3.966 -30.785 68 H HIS 10 H HIS 10 7.353 -0.418 -29.866 69 HA HIS 10 HA HIS 10 8.667 -0.823 -32.419 70 HB2 HIS 10 HB2 HIS 10 7.786 -3.226 -32.643 71 HB3 HIS 10 HB3 HIS 10 9.256 -2.978 -31.720 72 HD2 HIS 10 HD2 HIS 10 9.356 -3.903 -29.302 73 HE1 HIS 10 HE1 HIS 10 5.230 -4.844 -28.756 74 HE2 HIS 10 HE2 HIS 10 7.571 -5.030 -27.732 75 H GLY 11 H GLY 11 5.691 -1.767 -30.648 76 HA2 GLY 11 HA2 GLY 11 3.690 -0.515 -30.656 77 HA3 GLY 11 HA3 GLY 11 4.114 0.234 -32.191 78 H SER 12 H SER 12 1.614 -0.879 -31.512 79 HA SER 12 HA SER 12 1.229 -2.873 -33.649 80 HB2 SER 12 HB2 SER 12 1.682 -4.268 -31.686 81 HB3 SER 12 HB3 SER 12 0.444 -3.404 -30.754 82 HG SER 12 HG SER 12 -0.165 -5.488 -31.862 83 H GLY 58 H GLY 58 -0.784 -2.865 -34.541 84 HA2 GLY 58 HA2 GLY 58 -2.692 -0.713 -33.824 85 HA3 GLY 58 HA3 GLY 58 -2.720 -1.734 -35.258 86 H ALA 59 H ALA 59 -2.283 -3.834 -32.682 87 HA ALA 59 HA ALA 59 -4.922 -4.936 -32.962 88 HB1 ALA 59 HB1 ALA 59 -2.686 -5.600 -31.002 89 HB2 ALA 59 HB2 ALA 59 -4.073 -6.637 -31.397 90 HB3 ALA 59 HB3 ALA 59 -2.865 -6.270 -32.641 91 H LEU 60 H LEU 60 -6.274 -5.611 -31.128 92 HA LEU 60 HA LEU 60 -6.663 -3.509 -29.030 93 HB2 LEU 60 HB2 LEU 60 -8.552 -5.497 -30.345 94 HB3 LEU 60 HB3 LEU 60 -8.902 -4.775 -28.786 95 HG LEU 60 HG LEU 60 -8.828 -2.506 -29.767 96 HD11 LEU 60 HD11 LEU 60 -8.559 -3.977 -32.424 97 HD12 LEU 60 HD12 LEU 60 -9.057 -2.278 -32.251 98 HD13 LEU 60 HD13 LEU 60 -7.442 -2.765 -31.747 99 HD21 LEU 60 HD21 LEU 60 -10.943 -3.755 -29.511 100 HD22 LEU 60 HD22 LEU 60 -10.989 -2.697 -30.927 101 HD23 LEU 60 HD23 LEU 60 -10.740 -4.446 -31.136 102 H ALA 61 H ALA 61 -7.085 -4.202 -26.857 103 HA ALA 61 HA ALA 61 -5.815 -6.808 -26.131 104 HB1 ALA 61 HB1 ALA 61 -6.271 -4.295 -24.484 105 HB2 ALA 61 HB2 ALA 61 -5.513 -5.791 -23.908 106 HB3 ALA 61 HB3 ALA 61 -4.725 -4.839 -25.176 107 H ALA 62 H ALA 62 -6.914 -8.369 -25.097 108 HA ALA 62 HA ALA 62 -9.772 -7.976 -24.389 109 HB1 ALA 62 HB1 ALA 62 -8.057 -10.486 -24.491 110 HB2 ALA 62 HB2 ALA 62 -9.801 -10.421 -24.166 111 HB3 ALA 62 HB3 ALA 62 -9.178 -9.932 -25.755 112 H LEU 63 H LEU 63 -10.575 -8.328 -22.320 113 HA LEU 63 HA LEU 63 -8.611 -8.359 -20.063 114 HB2 LEU 63 HB2 LEU 63 -11.266 -6.896 -20.116 115 HB3 LEU 63 HB3 LEU 63 -10.067 -6.867 -18.831 116 HG LEU 63 HG LEU 63 -9.770 -5.622 -21.599 117 HD11 LEU 63 HD11 LEU 63 -10.095 -4.357 -18.849 118 HD12 LEU 63 HD12 LEU 63 -9.916 -3.499 -20.394 119 HD13 LEU 63 HD13 LEU 63 -11.361 -4.473 -20.092 120 HD21 LEU 63 HD21 LEU 63 -7.556 -6.231 -20.848 121 HD22 LEU 63 HD22 LEU 63 -7.778 -4.496 -20.630 122 HD23 LEU 63 HD23 LEU 63 -7.875 -5.570 -19.218 123 H HIS 64 H HIS 64 -9.318 -9.343 -18.109 124 HA HIS 64 HA HIS 64 -11.332 -11.492 -18.289 125 HB2 HIS 64 HB2 HIS 64 -9.788 -10.293 -15.982 126 HB3 HIS 64 HB3 HIS 64 -10.916 -11.630 -15.802 127 HD2 HIS 64 HD2 HIS 64 -7.326 -10.946 -16.359 128 HE1 HIS 64 HE1 HIS 64 -7.846 -15.040 -17.434 129 HE2 HIS 64 HE2 HIS 64 -6.129 -13.237 -16.896 130 H ALA 65 H ALA 65 -13.480 -11.346 -17.682 131 HA ALA 65 HA ALA 65 -14.532 -8.647 -17.145 132 HB1 ALA 65 HB1 ALA 65 -15.924 -11.282 -17.754 133 HB2 ALA 65 HB2 ALA 65 -16.672 -9.673 -17.736 134 HB3 ALA 65 HB3 ALA 65 -15.435 -10.055 -18.951 135 H ASP 66 H ASP 66 -14.053 -11.588 -15.290 136 HA ASP 66 HA ASP 66 -15.537 -10.507 -12.945 137 HB2 ASP 66 HB2 ASP 66 -16.061 -13.134 -14.393 138 HB3 ASP 66 HB3 ASP 66 -16.574 -12.845 -12.738 139 H GLY 67 H GLY 67 -15.266 -11.950 -10.999 140 HA2 GLY 67 HA2 GLY 67 -14.102 -13.303 -9.543 141 HA3 GLY 67 HA3 GLY 67 -13.260 -13.973 -10.926 142 HA PRO 68 HA PRO 68 -10.130 -12.037 -8.163 143 HB2 PRO 68 HB2 PRO 68 -7.881 -13.270 -9.276 144 HB3 PRO 68 HB3 PRO 68 -8.962 -14.009 -8.050 145 HG2 PRO 68 HG2 PRO 68 -8.993 -14.346 -11.059 146 HG3 PRO 68 HG3 PRO 68 -9.109 -15.615 -9.796 147 HD2 PRO 68 HD2 PRO 68 -11.302 -14.679 -11.039 148 HD3 PRO 68 HD3 PRO 68 -11.348 -15.019 -9.280 149 H HIS 69 H HIS 69 -9.992 -12.097 -11.678 150 HA HIS 69 HA HIS 69 -7.976 -9.893 -11.767 151 HB2 HIS 69 HB2 HIS 69 -8.567 -12.188 -13.633 152 HB3 HIS 69 HB3 HIS 69 -7.437 -10.892 -13.981 153 HD2 HIS 69 HD2 HIS 69 -6.305 -13.654 -13.989 154 HE1 HIS 69 HE1 HIS 69 -4.518 -12.832 -10.220 155 HE2 HIS 69 HE2 HIS 69 -4.484 -14.398 -12.224 156 H ALA 70 H ALA 70 -11.121 -9.683 -11.773 157 HA ALA 70 HA ALA 70 -12.020 -8.868 -14.272 158 HB1 ALA 70 HB1 ALA 70 -12.763 -7.705 -11.560 159 HB2 ALA 70 HB2 ALA 70 -13.724 -7.591 -13.050 160 HB3 ALA 70 HB3 ALA 70 -13.446 -9.172 -12.295 161 H GLY 71 H GLY 71 -11.485 -7.333 -15.658 162 HA2 GLY 71 HA2 GLY 71 -10.968 -5.208 -16.477 163 HA3 GLY 71 HA3 GLY 71 -10.560 -4.648 -14.859 164 H LEU 72 H LEU 72 -8.776 -7.441 -15.063 165 HA LEU 72 HA LEU 72 -6.332 -6.050 -15.933 166 HB2 LEU 72 HB2 LEU 72 -6.687 -8.950 -15.106 167 HB3 LEU 72 HB3 LEU 72 -5.178 -8.082 -15.294 168 HG LEU 72 HG LEU 72 -7.212 -7.611 -13.094 169 HD11 LEU 72 HD11 LEU 72 -4.350 -8.633 -12.952 170 HD12 LEU 72 HD12 LEU 72 -5.571 -8.631 -11.667 171 HD13 LEU 72 HD13 LEU 72 -5.730 -9.722 -13.059 172 HD21 LEU 72 HD21 LEU 72 -6.120 -5.485 -13.650 173 HD22 LEU 72 HD22 LEU 72 -5.486 -6.118 -12.126 174 HD23 LEU 72 HD23 LEU 72 -4.524 -6.270 -13.612 175 HA PRO 73 HA PRO 73 -6.292 -7.794 -20.114 176 HB2 PRO 73 HB2 PRO 73 -3.586 -8.179 -20.501 177 HB3 PRO 73 HB3 PRO 73 -4.391 -6.584 -20.607 178 HG2 PRO 73 HG2 PRO 73 -2.916 -7.828 -18.270 179 HG3 PRO 73 HG3 PRO 73 -2.757 -6.162 -18.910 180 HD2 PRO 73 HD2 PRO 73 -4.267 -6.673 -16.742 181 HD3 PRO 73 HD3 PRO 73 -4.811 -5.488 -17.956 182 H VAL 74 H VAL 74 -6.229 -9.864 -21.111 183 HA VAL 74 HA VAL 74 -6.027 -12.056 -19.191 184 HB VAL 74 HB VAL 74 -6.669 -12.291 -22.144 185 HG11 VAL 74 HG11 VAL 74 -7.125 -14.122 -19.758 186 HG12 VAL 74 HG12 VAL 74 -7.762 -14.396 -21.394 187 HG13 VAL 74 HG13 VAL 74 -6.019 -14.428 -21.117 188 HG21 VAL 74 HG21 VAL 74 -8.311 -10.820 -21.050 189 HG22 VAL 74 HG22 VAL 74 -9.030 -12.393 -21.386 190 HG23 VAL 74 HG23 VAL 74 -8.513 -11.997 -19.732 191 H THR 75 H THR 75 -4.248 -11.353 -22.285 192 HA THR 75 HA THR 75 -2.189 -13.323 -21.447 193 HB THR 75 HB THR 75 -1.629 -13.506 -23.726 194 HG1 THR 75 HG1 THR 75 -2.911 -12.185 -25.263 195 HG21 THR 75 HG21 THR 75 -4.660 -13.345 -23.720 196 HG22 THR 75 HG22 THR 75 -3.623 -14.315 -24.785 197 HG23 THR 75 HG23 THR 75 -3.720 -14.703 -23.060 198 H ARG 76 H ARG 76 0.049 -12.941 -22.113 199 HA ARG 76 HA ARG 76 1.356 -10.530 -21.365 200 HB2 ARG 76 HB2 ARG 76 2.538 -12.617 -21.620 201 HB3 ARG 76 HB3 ARG 76 2.016 -12.793 -23.298 202 HG2 ARG 76 HG2 ARG 76 3.432 -10.886 -23.972 203 HG3 ARG 76 HG3 ARG 76 3.976 -10.679 -22.295 204 HD2 ARG 76 HD2 ARG 76 5.143 -12.740 -22.306 205 HD3 ARG 76 HD3 ARG 76 4.254 -13.369 -23.688 206 HE ARG 76 HE ARG 76 6.567 -11.518 -23.741 207 HH11 ARG 76 HH11 ARG 76 4.089 -13.005 -25.780 208 HH12 ARG 76 HH12 ARG 76 5.030 -12.707 -27.211 209 HH21 ARG 76 HH21 ARG 76 7.611 -11.210 -25.448 210 HH22 ARG 76 HH22 ARG 76 7.054 -11.712 -27.052 211 H SER 77 H SER 77 0.114 -11.476 -24.595 212 HA SER 77 HA SER 77 0.977 -9.095 -25.939 213 HB2 SER 77 HB2 SER 77 -1.323 -10.953 -26.648 214 HB3 SER 77 HB3 SER 77 -0.523 -9.793 -27.728 215 HG SER 77 HG SER 77 0.324 -11.941 -27.958 216 H ASP 78 H ASP 78 -2.172 -9.902 -24.337 217 HA ASP 78 HA ASP 78 -3.459 -7.414 -24.936 218 HB2 ASP 78 HB2 ASP 78 -3.742 -9.207 -22.497 219 HB3 ASP 78 HB3 ASP 78 -4.822 -7.883 -22.913 220 H ALA 79 H ALA 79 -1.392 -8.337 -22.135 221 HA ALA 79 HA ALA 79 -1.449 -5.808 -20.805 222 HB1 ALA 79 HB1 ALA 79 0.685 -7.957 -20.814 223 HB2 ALA 79 HB2 ALA 79 0.448 -6.680 -19.585 224 HB3 ALA 79 HB3 ALA 79 -0.771 -7.946 -19.805 225 H ARG 80 H ARG 80 0.852 -7.028 -23.278 226 HA ARG 80 HA ARG 80 2.457 -4.663 -23.455 227 HB2 ARG 80 HB2 ARG 80 2.856 -7.024 -24.399 228 HB3 ARG 80 HB3 ARG 80 1.795 -6.588 -25.733 229 HG2 ARG 80 HG2 ARG 80 3.352 -4.702 -26.316 230 HG3 ARG 80 HG3 ARG 80 4.362 -5.139 -24.929 231 HD2 ARG 80 HD2 ARG 80 5.408 -6.115 -26.820 232 HD3 ARG 80 HD3 ARG 80 4.638 -7.443 -25.943 233 HE ARG 80 HE ARG 80 2.829 -6.426 -27.944 234 HH11 ARG 80 HH11 ARG 80 5.772 -8.334 -27.811 235 HH12 ARG 80 HH12 ARG 80 5.410 -9.150 -29.305 236 HH21 ARG 80 HH21 ARG 80 2.417 -7.545 -29.829 237 HH22 ARG 80 HH22 ARG 80 3.555 -8.724 -30.398 238 H VAL 81 H VAL 81 -0.568 -5.509 -25.165 239 HA VAL 81 HA VAL 81 -0.537 -3.137 -26.865 240 HB VAL 81 HB VAL 81 -2.630 -5.242 -26.244 241 HG11 VAL 81 HG11 VAL 81 -2.853 -2.899 -28.185 242 HG12 VAL 81 HG12 VAL 81 -3.925 -4.312 -28.150 243 HG13 VAL 81 HG13 VAL 81 -3.897 -3.203 -26.779 244 HG21 VAL 81 HG21 VAL 81 -0.653 -5.866 -27.693 245 HG22 VAL 81 HG22 VAL 81 -2.199 -5.942 -28.542 246 HG23 VAL 81 HG23 VAL 81 -1.107 -4.564 -28.807 247 H LEU 82 H LEU 82 -2.069 -3.949 -23.737 248 HA LEU 82 HA LEU 82 -3.471 -1.441 -23.430 249 HB2 LEU 82 HB2 LEU 82 -2.274 -3.372 -21.397 250 HB3 LEU 82 HB3 LEU 82 -3.069 -1.883 -20.925 251 HG LEU 82 HG LEU 82 -4.372 -4.260 -22.279 252 HD11 LEU 82 HD11 LEU 82 -4.880 -2.881 -19.609 253 HD12 LEU 82 HD12 LEU 82 -5.544 -4.428 -20.173 254 HD13 LEU 82 HD13 LEU 82 -3.818 -4.281 -19.809 255 HD21 LEU 82 HD21 LEU 82 -5.471 -2.273 -23.203 256 HD22 LEU 82 HD22 LEU 82 -6.513 -3.007 -21.986 257 HD23 LEU 82 HD23 LEU 82 -5.582 -1.548 -21.581 258 H ILE 83 H ILE 83 -0.161 -2.384 -22.328 259 HA ILE 83 HA ILE 83 0.586 0.162 -21.319 260 HB ILE 83 HB ILE 83 2.213 -2.082 -22.567 261 HG12 ILE 83 HG12 ILE 83 2.120 -1.120 -19.676 262 HG13 ILE 83 HG13 ILE 83 1.000 -2.327 -20.293 263 HG21 ILE 83 HG21 ILE 83 3.176 0.583 -21.450 264 HG22 ILE 83 HG22 ILE 83 4.211 -0.844 -21.464 265 HG23 ILE 83 HG23 ILE 83 3.607 -0.204 -22.991 266 HD11 ILE 83 HD11 ILE 83 4.027 -2.637 -20.163 267 HD12 ILE 83 HD12 ILE 83 2.808 -3.468 -19.188 268 HD13 ILE 83 HD13 ILE 83 2.914 -3.796 -20.927 269 H PHE 84 H PHE 84 0.993 -1.120 -24.671 270 HA PHE 84 HA PHE 84 2.157 1.229 -25.697 271 HB2 PHE 84 HB2 PHE 84 2.160 -1.010 -26.796 272 HB3 PHE 84 HB3 PHE 84 0.461 -0.806 -27.193 273 HD1 PHE 84 HD1 PHE 84 3.749 1.005 -27.483 274 HD2 PHE 84 HD2 PHE 84 -0.102 0.230 -29.253 275 HE1 PHE 84 HE1 PHE 84 4.412 2.325 -29.461 276 HE2 PHE 84 HE2 PHE 84 0.560 1.556 -31.254 277 HZ PHE 84 HZ PHE 84 2.812 2.611 -31.363 278 H ASN 85 H ASN 85 -1.354 0.287 -26.041 279 HA ASN 85 HA ASN 85 -1.932 2.765 -27.347 280 HB2 ASN 85 HB2 ASN 85 -3.193 0.640 -27.620 281 HB3 ASN 85 HB3 ASN 85 -3.854 0.837 -25.993 282 HD21 ASN 85 HD22 ASN 85 -3.420 2.865 -28.988 283 HD22 ASN 85 HD21 ASN 85 -5.070 3.490 -28.924 284 H ASP 86 H ASP 86 -2.148 1.888 -23.888 285 HA ASP 86 HA ASP 86 -3.368 4.361 -23.035 286 HB2 ASP 86 HB2 ASP 86 -3.070 2.395 -21.534 287 HB3 ASP 86 HB3 ASP 86 -1.322 2.678 -21.543 288 H TRP 87 H TRP 87 0.129 3.427 -23.497 289 HA TRP 87 HA TRP 87 1.169 6.025 -22.979 290 HB2 TRP 87 HB2 TRP 87 2.646 4.191 -23.001 291 HB3 TRP 87 HB3 TRP 87 2.161 3.691 -24.608 292 HD1 TRP 87 HD1 TRP 87 4.287 6.378 -22.888 293 HE1 TRP 87 HE1 TRP 87 6.045 7.215 -24.604 294 HE3 TRP 87 HE3 TRP 87 2.416 4.240 -27.161 295 HZ2 TRP 87 HZ2 TRP 87 6.680 6.801 -27.352 296 HZ3 TRP 87 HZ3 TRP 87 3.553 4.594 -29.334 297 HH2 TRP 87 HH2 TRP 87 5.716 5.805 -29.442 298 H GLU 88 H GLU 88 -0.060 4.689 -26.120 299 HA GLU 88 HA GLU 88 0.601 6.965 -27.705 300 HB2 GLU 88 HB2 GLU 88 -1.830 5.129 -27.900 301 HB3 GLU 88 HB3 GLU 88 -1.411 6.359 -29.081 302 HG2 GLU 88 HG2 GLU 88 0.705 5.217 -29.582 303 HG3 GLU 88 HG3 GLU 88 0.293 3.932 -28.448 304 H GLU 89 H GLU 89 -2.454 6.389 -25.788 305 HA GLU 89 HA GLU 89 -3.593 8.941 -26.422 306 HB2 GLU 89 HB2 GLU 89 -4.825 6.943 -25.621 307 HB3 GLU 89 HB3 GLU 89 -4.049 7.094 -24.034 308 HG2 GLU 89 HG2 GLU 89 -5.058 9.292 -23.720 309 HG3 GLU 89 HG3 GLU 89 -5.745 9.246 -25.350 310 H ARG 90 H ARG 90 -1.647 7.838 -23.615 311 HA ARG 90 HA ARG 90 -1.592 10.331 -22.196 312 HB2 ARG 90 HB2 ARG 90 0.479 8.105 -22.283 313 HB3 ARG 90 HB3 ARG 90 0.410 9.384 -21.080 314 HG2 ARG 90 HG2 ARG 90 -2.066 7.707 -21.360 315 HG3 ARG 90 HG3 ARG 90 -0.625 6.917 -20.734 316 HD2 ARG 90 HD2 ARG 90 -1.872 9.434 -19.580 317 HD3 ARG 90 HD3 ARG 90 -2.186 7.800 -18.999 318 HE ARG 90 HE ARG 90 0.087 9.441 -18.379 319 HH11 ARG 90 HH11 ARG 90 -0.657 5.981 -18.838 320 HH12 ARG 90 HH12 ARG 90 0.517 5.538 -17.639 321 HH21 ARG 90 HH21 ARG 90 1.592 8.723 -16.944 322 HH22 ARG 90 HH22 ARG 90 1.786 7.025 -16.641 323 H LYS 91 H LYS 91 0.533 9.095 -24.803 324 HA LYS 91 HA LYS 91 2.342 11.326 -24.834 325 HB2 LYS 91 HB2 LYS 91 2.825 9.098 -25.812 326 HB3 LYS 91 HB3 LYS 91 1.607 9.389 -27.064 327 HG2 LYS 91 HG2 LYS 91 2.952 11.386 -27.818 328 HG3 LYS 91 HG3 LYS 91 4.170 10.976 -26.592 329 HD2 LYS 91 HD2 LYS 91 4.454 8.739 -27.702 330 HD3 LYS 91 HD3 LYS 91 3.276 9.229 -28.935 331 HE2 LYS 91 HE2 LYS 91 4.723 11.201 -29.502 332 HE3 LYS 91 HE3 LYS 91 5.921 10.645 -28.328 333 HZ1 LYS 91 HZ1 LYS 91 5.062 9.119 -30.747 334 HZ2 LYS 91 HZ2 LYS 91 6.470 9.926 -30.596 335 HZ3 LYS 91 HZ3 LYS 91 6.191 8.612 -29.671 336 H ARG 92 H ARG 92 -0.710 10.717 -26.635 337 HA ARG 92 HA ARG 92 -0.680 13.207 -28.103 338 HB2 ARG 92 HB2 ARG 92 -2.945 11.379 -27.212 339 HB3 ARG 92 HB3 ARG 92 -3.212 12.848 -28.155 340 HG2 ARG 92 HG2 ARG 92 -1.812 12.033 -29.974 341 HG3 ARG 92 HG3 ARG 92 -1.368 10.590 -29.056 342 HD2 ARG 92 HD2 ARG 92 -3.719 9.851 -29.026 343 HD3 ARG 92 HD3 ARG 92 -4.212 11.291 -29.913 344 HE ARG 92 HE ARG 92 -2.806 8.911 -30.947 345 HH11 ARG 92 HH11 ARG 92 -3.752 12.198 -31.756 346 HH12 ARG 92 HH12 ARG 92 -3.559 11.923 -33.465 347 HH21 ARG 92 HH21 ARG 92 -2.585 8.641 -33.136 348 HH22 ARG 92 HH22 ARG 92 -2.916 9.960 -34.219 349 H SER 93 H SER 93 -1.826 12.497 -24.778 350 HA SER 93 HA SER 93 -2.549 15.281 -24.290 351 HB2 SER 93 HB2 SER 93 -1.962 13.019 -22.352 352 HB3 SER 93 HB3 SER 93 -2.615 14.609 -21.915 353 HG SER 93 HG SER 93 -4.295 13.058 -22.221 354 H GLU 94 H GLU 94 0.433 13.429 -23.682 355 HA GLU 94 HA GLU 94 1.916 15.855 -22.759 356 HB2 GLU 94 HB2 GLU 94 1.765 13.105 -21.460 357 HB3 GLU 94 HB3 GLU 94 2.889 14.382 -21.019 358 HG2 GLU 94 HG2 GLU 94 0.960 15.869 -20.468 359 HG3 GLU 94 HG3 GLU 94 -0.146 14.537 -20.811 360 HA PRO 95 HA PRO 95 3.836 13.724 -26.247 361 HB2 PRO 95 HB2 PRO 95 5.460 15.708 -27.263 362 HB3 PRO 95 HB3 PRO 95 3.680 15.666 -27.435 363 HG2 PRO 95 HG2 PRO 95 5.310 17.140 -25.336 364 HG3 PRO 95 HG3 PRO 95 4.005 17.794 -26.382 365 HD2 PRO 95 HD2 PRO 95 3.484 16.995 -23.858 366 HD3 PRO 95 HD3 PRO 95 2.330 16.611 -25.173 367 H TRP 96 H TRP 96 5.620 14.578 -23.486 368 HA TRP 96 HA TRP 96 8.270 13.705 -24.380 369 HB2 TRP 96 HB2 TRP 96 8.845 14.151 -22.016 370 HB3 TRP 96 HB3 TRP 96 8.073 15.503 -22.818 371 HD1 TRP 96 HD1 TRP 96 7.116 12.637 -20.407 372 HE1 TRP 96 HE1 TRP 96 5.284 13.470 -18.799 373 HE3 TRP 96 HE3 TRP 96 6.225 17.225 -22.507 374 HZ2 TRP 96 HZ2 TRP 96 3.646 15.829 -18.478 375 HZ3 TRP 96 HZ3 TRP 96 4.464 18.711 -21.576 376 HH2 TRP 96 HH2 TRP 96 3.183 18.032 -19.557 377 H LEU 97 H LEU 97 5.572 11.897 -23.666 378 HA LEU 97 HA LEU 97 6.290 10.250 -21.606 379 HB2 LEU 97 HB2 LEU 97 4.100 10.567 -23.225 380 HB3 LEU 97 HB3 LEU 97 4.652 9.045 -23.822 381 HG LEU 97 HG LEU 97 3.201 8.296 -22.251 382 HD11 LEU 97 HD11 LEU 97 5.406 8.868 -20.214 383 HD12 LEU 97 HD12 LEU 97 4.145 7.627 -20.137 384 HD13 LEU 97 HD13 LEU 97 5.415 7.493 -21.347 385 HD21 LEU 97 HD21 LEU 97 2.445 10.507 -21.611 386 HD22 LEU 97 HD22 LEU 97 2.592 9.428 -20.208 387 HD23 LEU 97 HD23 LEU 97 3.823 10.686 -20.502 388 H ARG 98 H ARG 98 7.747 8.636 -21.261 389 HA ARG 98 HA ARG 98 9.009 7.191 -23.547 390 HB2 ARG 98 HB2 ARG 98 9.797 7.417 -20.620 391 HB3 ARG 98 HB3 ARG 98 10.614 6.383 -21.800 392 HG2 ARG 98 HG2 ARG 98 11.174 8.337 -23.193 393 HG3 ARG 98 HG3 ARG 98 10.341 9.413 -22.054 394 HD2 ARG 98 HD2 ARG 98 11.894 8.738 -20.261 395 HD3 ARG 98 HD3 ARG 98 12.751 7.672 -21.398 396 HE ARG 98 HE ARG 98 12.747 10.175 -22.624 397 HH11 ARG 98 HH11 ARG 98 14.047 8.969 -19.595 398 HH12 ARG 98 HH12 ARG 98 15.312 10.167 -19.559 399 HH21 ARG 98 HH21 ARG 98 14.391 11.662 -22.514 400 HH22 ARG 98 HH22 ARG 98 15.504 11.650 -21.178 401 H LEU 99 H LEU 99 9.220 4.953 -23.605 402 HA LEU 99 HA LEU 99 6.821 3.567 -22.481 403 HB2 LEU 99 HB2 LEU 99 6.616 4.395 -24.758 404 HB3 LEU 99 HB3 LEU 99 8.040 3.530 -25.264 405 HG LEU 99 HG LEU 99 5.820 2.580 -25.972 406 HD11 LEU 99 HD11 LEU 99 7.391 0.609 -24.291 407 HD12 LEU 99 HD12 LEU 99 6.467 0.352 -25.765 408 HD13 LEU 99 HD13 LEU 99 7.964 1.277 -25.829 409 HD21 LEU 99 HD21 LEU 99 4.603 2.909 -23.803 410 HD22 LEU 99 HD22 LEU 99 4.471 1.293 -24.519 411 HD23 LEU 99 HD23 LEU 99 5.539 1.560 -23.124 412 H ASP 100 H ASP 100 7.259 1.876 -21.267 413 HA ASP 100 HA ASP 100 9.687 0.174 -21.738 414 HB2 ASP 100 HB2 ASP 100 8.268 0.982 -19.168 415 HB3 ASP 100 HB3 ASP 100 9.390 -0.363 -19.279 416 H MET 101 H MET 101 8.723 -1.456 -23.044 417 HA MET 101 HA MET 101 6.814 -3.189 -21.577 418 HB2 MET 101 HB2 MET 101 5.215 -3.382 -23.262 419 HB3 MET 101 HB3 MET 101 5.509 -1.670 -23.008 420 HG2 MET 101 HG2 MET 101 6.924 -1.619 -25.052 421 HG3 MET 101 HG3 MET 101 6.489 -3.295 -25.353 422 HE1 MET 101 HE1 MET 101 6.007 -2.140 -27.669 423 HE2 MET 101 HE2 MET 101 4.370 -1.577 -28.088 424 HE3 MET 101 HE3 MET 101 5.544 -0.433 -27.417 425 H SER 102 H SER 102 9.595 -3.561 -21.969 426 HA SER 102 HA SER 102 9.960 -5.924 -23.649 427 HB2 SER 102 HB2 SER 102 11.846 -4.571 -22.778 428 HB3 SER 102 HB3 SER 102 11.429 -5.065 -21.125 429 HG SER 102 HG SER 102 13.096 -6.372 -22.160 430 H ASP 103 H ASP 103 10.212 -8.122 -22.732 431 HA ASP 103 HA ASP 103 7.813 -9.085 -21.624 432 HB2 ASP 103 HB2 ASP 103 10.574 -10.379 -21.553 433 HB3 ASP 103 HB3 ASP 103 9.037 -11.216 -21.332 434 H LYS 104 H LYS 104 10.892 -8.430 -19.954 435 HA LYS 104 HA LYS 104 10.039 -9.287 -17.319 436 HB2 LYS 104 HB2 LYS 104 12.301 -7.537 -18.360 437 HB3 LYS 104 HB3 LYS 104 11.967 -7.641 -16.636 438 HG2 LYS 104 HG2 LYS 104 13.707 -9.184 -17.194 439 HG3 LYS 104 HG3 LYS 104 12.283 -10.055 -16.628 440 HD2 LYS 104 HD2 LYS 104 11.705 -10.698 -18.922 441 HD3 LYS 104 HD3 LYS 104 13.055 -9.758 -19.574 442 HE2 LYS 104 HE2 LYS 104 13.330 -12.112 -17.638 443 HE3 LYS 104 HE3 LYS 104 13.391 -12.270 -19.393 444 HZ1 LYS 104 HZ1 LYS 104 15.327 -10.688 -17.771 445 HZ2 LYS 104 HZ2 LYS 104 15.621 -12.116 -18.495 446 HZ3 LYS 104 HZ3 LYS 104 15.345 -10.795 -19.406 447 H ALA 105 H ALA 105 9.746 -6.137 -18.984 448 HA ALA 105 HA ALA 105 8.729 -4.759 -16.638 449 HB1 ALA 105 HB1 ALA 105 8.405 -4.072 -19.594 450 HB2 ALA 105 HB2 ALA 105 8.138 -2.990 -18.218 451 HB3 ALA 105 HB3 ALA 105 9.772 -3.587 -18.561 452 H ILE 106 H ILE 106 7.125 -6.523 -19.347 453 HA ILE 106 HA ILE 106 4.393 -6.066 -18.472 454 HB ILE 106 HB ILE 106 5.453 -8.514 -19.908 455 HG12 ILE 106 HG12 ILE 106 4.226 -5.999 -21.144 456 HG13 ILE 106 HG13 ILE 106 5.958 -6.275 -21.078 457 HG21 ILE 106 HG21 ILE 106 2.664 -7.251 -19.717 458 HG22 ILE 106 HG22 ILE 106 3.071 -8.690 -20.670 459 HG23 ILE 106 HG23 ILE 106 3.162 -8.760 -18.918 460 HD11 ILE 106 HD11 ILE 106 3.963 -7.997 -22.583 461 HD12 ILE 106 HD12 ILE 106 5.197 -6.917 -23.250 462 HD13 ILE 106 HD13 ILE 106 5.688 -8.382 -22.383 463 H PHE 107 H PHE 107 6.604 -8.843 -17.681 464 HA PHE 107 HA PHE 107 4.714 -9.902 -15.794 465 HB2 PHE 107 HB2 PHE 107 7.693 -10.402 -16.107 466 HB3 PHE 107 HB3 PHE 107 6.609 -11.365 -15.111 467 HD1 PHE 107 HD2 PHE 107 4.244 -11.883 -16.663 468 HD2 PHE 107 HD1 PHE 107 8.343 -11.676 -17.983 469 HE1 PHE 107 HE2 PHE 107 3.718 -13.417 -18.542 470 HE2 PHE 107 HE1 PHE 107 7.806 -13.193 -19.872 471 HZ PHE 107 HZ PHE 107 5.495 -14.070 -20.152 472 H ARG 108 H ARG 108 7.334 -7.554 -15.279 473 HA ARG 108 HA ARG 108 7.130 -7.658 -12.363 474 HB2 ARG 108 HB2 ARG 108 8.474 -5.749 -14.310 475 HB3 ARG 108 HB3 ARG 108 8.506 -5.495 -12.570 476 HG2 ARG 108 HG2 ARG 108 9.633 -7.595 -12.160 477 HG3 ARG 108 HG3 ARG 108 9.453 -8.100 -13.844 478 HD2 ARG 108 HD2 ARG 108 10.871 -6.176 -14.554 479 HD3 ARG 108 HD3 ARG 108 11.112 -5.755 -12.842 480 HE ARG 108 HE ARG 108 11.810 -8.484 -13.166 481 HH11 ARG 108 HH11 ARG 108 13.104 -5.385 -14.173 482 HH12 ARG 108 HH12 ARG 108 14.730 -5.997 -14.285 483 HH21 ARG 108 HH21 ARG 108 13.909 -9.196 -13.308 484 HH22 ARG 108 HH22 ARG 108 15.170 -8.104 -13.795 485 H ARG 109 H ARG 109 5.690 -5.516 -14.839 486 HA ARG 109 HA ARG 109 4.308 -3.868 -12.855 487 HB2 ARG 109 HB2 ARG 109 5.004 -3.114 -15.139 488 HB3 ARG 109 HB3 ARG 109 3.770 -4.167 -15.844 489 HG2 ARG 109 HG2 ARG 109 1.988 -2.921 -14.723 490 HG3 ARG 109 HG3 ARG 109 3.161 -1.952 -13.824 491 HD2 ARG 109 HD2 ARG 109 2.886 -1.956 -16.859 492 HD3 ARG 109 HD3 ARG 109 2.124 -0.782 -15.766 493 HE ARG 109 HE ARG 109 4.933 -0.873 -15.223 494 HH11 ARG 109 HH11 ARG 109 2.736 0.462 -17.601 495 HH12 ARG 109 HH12 ARG 109 3.860 1.703 -18.077 496 HH21 ARG 109 HH21 ARG 109 6.321 0.727 -15.872 497 HH22 ARG 109 HH22 ARG 109 5.838 1.853 -17.103 498 H TYR 110 H TYR 110 3.435 -6.680 -14.817 499 HA TYR 110 HA TYR 110 0.923 -7.046 -13.234 500 HB2 TYR 110 HB2 TYR 110 1.382 -7.393 -16.214 501 HB3 TYR 110 HB3 TYR 110 -0.013 -7.967 -15.322 502 HD1 TYR 110 HD2 TYR 110 -1.586 -6.376 -14.204 503 HD2 TYR 110 HD1 TYR 110 1.460 -5.130 -16.997 504 HE1 TYR 110 HE2 TYR 110 -2.885 -4.308 -14.699 505 HE2 TYR 110 HE1 TYR 110 0.177 -3.045 -17.466 506 HH TYR 110 HH TYR 110 -1.724 -1.814 -17.004 507 HA PRO 111 HA PRO 111 3.508 -10.863 -12.833 508 HB2 PRO 111 HB2 PRO 111 2.754 -11.610 -10.314 509 HB3 PRO 111 HB3 PRO 111 3.956 -10.324 -10.636 510 HG2 PRO 111 HG2 PRO 111 0.992 -9.997 -10.057 511 HG3 PRO 111 HG3 PRO 111 2.370 -9.143 -9.288 512 HD2 PRO 111 HD2 PRO 111 0.959 -8.032 -11.323 513 HD3 PRO 111 HD3 PRO 111 2.732 -7.808 -11.209 514 H HIS 112 H HIS 112 0.038 -10.408 -12.711 515 HA HIS 112 HA HIS 112 -0.726 -13.153 -12.413 516 HB2 HIS 112 HB2 HIS 112 -2.893 -12.422 -12.814 517 HB3 HIS 112 HB3 HIS 112 -2.122 -11.094 -11.958 518 HD2 HIS 112 HD2 HIS 112 -3.901 -12.003 -15.153 519 HE1 HIS 112 HE1 HIS 112 -2.415 -8.074 -15.853 520 HE2 HIS 112 HE2 HIS 112 -3.919 -9.936 -16.766 521 H LEU 113 H LEU 113 0.674 -11.615 -15.174 522 HA LEU 113 HA LEU 113 -0.574 -13.309 -17.188 523 HB2 LEU 113 HB2 LEU 113 1.984 -11.649 -17.297 524 HB3 LEU 113 HB3 LEU 113 1.329 -12.558 -18.640 525 HG LEU 113 HG LEU 113 0.706 -10.362 -19.097 526 HD11 LEU 113 HD11 LEU 113 -1.771 -11.404 -17.667 527 HD12 LEU 113 HD12 LEU 113 -1.703 -10.319 -19.065 528 HD13 LEU 113 HD13 LEU 113 -1.228 -12.024 -19.231 529 HD21 LEU 113 HD21 LEU 113 1.237 -9.369 -17.065 530 HD22 LEU 113 HD22 LEU 113 -0.366 -8.837 -17.607 531 HD23 LEU 113 HD23 LEU 113 -0.226 -10.018 -16.285 532 H ARG 114 H ARG 114 1.673 -14.048 -14.756 533 HA ARG 114 HA ARG 114 2.711 -16.443 -16.195 534 HB2 ARG 114 HB2 ARG 114 3.558 -15.138 -13.580 535 HB3 ARG 114 HB3 ARG 114 4.121 -16.714 -14.155 536 HG2 ARG 114 HG2 ARG 114 4.939 -15.578 -16.275 537 HG3 ARG 114 HG3 ARG 114 4.501 -14.031 -15.536 538 HD2 ARG 114 HD2 ARG 114 6.889 -14.407 -15.263 539 HD3 ARG 114 HD3 ARG 114 6.084 -14.427 -13.697 540 HE ARG 114 HE ARG 114 6.675 -16.635 -13.398 541 HH11 ARG 114 HH11 ARG 114 7.280 -15.931 -16.787 542 HH12 ARG 114 HH12 ARG 114 8.032 -17.479 -17.055 543 HH21 ARG 114 HH21 ARG 114 7.631 -18.575 -13.822 544 HH22 ARG 114 HH22 ARG 114 8.232 -18.930 -15.415 Start of MODEL 17 1 H1 MET 1 H1 MET 1 21.047 5.993 -5.626 2 H2 MET 1 H2 MET 1 22.246 5.365 -4.724 3 H3 MET 1 H3 MET 1 22.316 5.260 -6.354 4 HA MET 1 HA MET 1 22.449 7.750 -4.753 5 HB2 MET 1 HB2 MET 1 24.668 6.365 -6.320 6 HB3 MET 1 HB3 MET 1 24.755 8.020 -5.731 7 HG2 MET 1 HG2 MET 1 24.478 5.524 -4.024 8 HG3 MET 1 HG3 MET 1 25.915 6.507 -4.226 9 HE1 MET 1 HE1 MET 1 25.085 9.529 -3.901 10 HE2 MET 1 HE2 MET 1 25.234 9.701 -2.141 11 HE3 MET 1 HE3 MET 1 26.426 8.737 -3.037 12 H ARG 2 H ARG 2 23.330 6.835 -8.159 13 HA ARG 2 HA ARG 2 21.697 9.157 -9.140 14 HB2 ARG 2 HB2 ARG 2 24.522 8.346 -9.968 15 HB3 ARG 2 HB3 ARG 2 23.534 9.552 -10.793 16 HG2 ARG 2 HG2 ARG 2 23.460 10.917 -8.690 17 HG3 ARG 2 HG3 ARG 2 24.506 9.725 -7.909 18 HD2 ARG 2 HD2 ARG 2 25.894 11.532 -8.605 19 HD3 ARG 2 HD3 ARG 2 26.249 10.140 -9.643 20 HE ARG 2 HE ARG 2 24.236 11.895 -10.801 21 HH11 ARG 2 HH11 ARG 2 27.711 11.688 -10.388 22 HH12 ARG 2 HH12 ARG 2 28.030 12.677 -11.783 23 HH21 ARG 2 HH21 ARG 2 24.713 13.139 -12.582 24 HH22 ARG 2 HH22 ARG 2 26.368 13.483 -12.986 25 H GLY 3 H GLY 3 21.208 9.079 -11.422 26 HA2 GLY 3 HA2 GLY 3 20.628 8.075 -13.436 27 HA3 GLY 3 HA3 GLY 3 21.274 6.535 -12.890 28 H SER 4 H SER 4 19.056 6.462 -14.309 29 HA SER 4 HA SER 4 16.821 5.782 -12.454 30 HB2 SER 4 HB2 SER 4 16.561 7.469 -14.974 31 HB3 SER 4 HB3 SER 4 15.216 6.835 -14.011 32 HG SER 4 HG SER 4 15.749 9.017 -13.447 33 H HIS 5 H HIS 5 15.259 4.323 -13.302 34 HA HIS 5 HA HIS 5 16.450 2.256 -14.986 35 HB2 HIS 5 HB2 HIS 5 15.198 1.873 -12.842 36 HB3 HIS 5 HB3 HIS 5 13.713 2.340 -13.673 37 HD2 HIS 5 HD2 HIS 5 12.740 -0.134 -13.162 38 HE1 HIS 5 HE1 HIS 5 15.357 -2.301 -15.747 39 HE2 HIS 5 HE2 HIS 5 13.275 -2.458 -14.272 40 H HIS 6 H HIS 6 15.525 1.291 -16.840 41 HA HIS 6 HA HIS 6 13.324 2.441 -18.315 42 HB2 HIS 6 HB2 HIS 6 14.526 3.276 -20.238 43 HB3 HIS 6 HB3 HIS 6 15.071 4.150 -18.822 44 HD2 HIS 6 HD2 HIS 6 17.589 3.490 -17.856 45 HE1 HIS 6 HE1 HIS 6 18.921 1.623 -21.457 46 HE2 HIS 6 HE2 HIS 6 19.660 2.552 -19.203 47 H HIS 7 H HIS 7 12.811 1.305 -20.230 48 HA HIS 7 HA HIS 7 14.453 -1.082 -20.982 49 HB2 HIS 7 HB2 HIS 7 11.443 -0.934 -20.607 50 HB3 HIS 7 HB3 HIS 7 12.213 -2.139 -21.631 51 HD2 HIS 7 HD2 HIS 7 11.847 -1.188 -17.908 52 HE1 HIS 7 HE1 HIS 7 13.465 -5.134 -18.075 53 HE2 HIS 7 HE2 HIS 7 12.493 -3.348 -16.539 54 H HIS 8 H HIS 8 12.114 1.410 -21.995 55 HA HIS 8 HA HIS 8 11.473 2.213 -24.002 56 HB2 HIS 8 HB2 HIS 8 13.592 3.334 -23.517 57 HB3 HIS 8 HB3 HIS 8 14.455 2.147 -24.488 58 HD2 HIS 8 HD2 HIS 8 11.097 3.480 -25.870 59 HE1 HIS 8 HE1 HIS 8 14.173 5.476 -28.044 60 HE2 HIS 8 HE2 HIS 8 11.661 5.055 -27.892 61 H HIS 9 H HIS 9 10.296 0.310 -24.564 62 HA HIS 9 HA HIS 9 11.489 -1.483 -26.625 63 HB2 HIS 9 HB2 HIS 9 10.305 -2.354 -24.544 64 HB3 HIS 9 HB3 HIS 9 8.797 -1.785 -25.268 65 HD2 HIS 9 HD2 HIS 9 7.710 -4.163 -25.766 66 HE1 HIS 9 HE1 HIS 9 10.748 -5.725 -28.315 67 HE2 HIS 9 HE2 HIS 9 8.399 -6.097 -27.410 68 H HIS 10 H HIS 10 9.151 -2.235 -27.998 69 HA HIS 10 HA HIS 10 8.021 0.194 -29.273 70 HB2 HIS 10 HB2 HIS 10 10.074 -0.475 -30.541 71 HB3 HIS 10 HB3 HIS 10 9.368 -2.068 -30.807 72 HD2 HIS 10 HD2 HIS 10 8.475 1.680 -31.535 73 HE1 HIS 10 HE1 HIS 10 6.824 -0.666 -34.694 74 HE2 HIS 10 HE2 HIS 10 7.155 1.701 -33.818 75 H GLY 11 H GLY 11 6.144 -0.379 -30.742 76 HA2 GLY 11 HA2 GLY 11 4.813 -2.926 -30.455 77 HA3 GLY 11 HA3 GLY 11 4.107 -1.711 -29.389 78 H SER 12 H SER 12 2.265 -2.473 -30.854 79 HA SER 12 HA SER 12 1.813 -0.445 -32.951 80 HB2 SER 12 HB2 SER 12 0.977 -2.111 -34.548 81 HB3 SER 12 HB3 SER 12 2.697 -2.340 -34.199 82 HG SER 12 HG SER 12 1.550 -4.336 -34.172 83 H GLY 58 H GLY 58 -0.404 -0.147 -33.541 84 HA2 GLY 58 HA2 GLY 58 -2.171 -0.202 -31.261 85 HA3 GLY 58 HA3 GLY 58 -2.546 0.404 -32.869 86 H ALA 59 H ALA 59 -3.645 -1.654 -30.689 87 HA ALA 59 HA ALA 59 -5.209 -3.261 -32.549 88 HB1 ALA 59 HB1 ALA 59 -3.227 -4.596 -30.633 89 HB2 ALA 59 HB2 ALA 59 -4.466 -5.445 -31.582 90 HB3 ALA 59 HB3 ALA 59 -3.138 -4.618 -32.403 91 H LEU 60 H LEU 60 -6.625 -4.850 -31.120 92 HA LEU 60 HA LEU 60 -7.624 -3.435 -28.692 93 HB2 LEU 60 HB2 LEU 60 -8.741 -5.649 -30.445 94 HB3 LEU 60 HB3 LEU 60 -9.334 -5.371 -28.816 95 HG LEU 60 HG LEU 60 -9.974 -3.057 -29.387 96 HD11 LEU 60 HD11 LEU 60 -9.181 -3.830 -32.228 97 HD12 LEU 60 HD12 LEU 60 -10.180 -2.425 -31.798 98 HD13 LEU 60 HD13 LEU 60 -8.507 -2.501 -31.253 99 HD21 LEU 60 HD21 LEU 60 -11.580 -4.924 -29.542 100 HD22 LEU 60 HD22 LEU 60 -11.922 -3.681 -30.754 101 HD23 LEU 60 HD23 LEU 60 -11.117 -5.193 -31.238 102 H ALA 61 H ALA 61 -7.514 -4.311 -26.657 103 HA ALA 61 HA ALA 61 -5.932 -6.827 -26.265 104 HB1 ALA 61 HB1 ALA 61 -6.352 -4.453 -24.402 105 HB2 ALA 61 HB2 ALA 61 -5.460 -5.935 -24.007 106 HB3 ALA 61 HB3 ALA 61 -4.859 -4.856 -25.277 107 H ALA 62 H ALA 62 -6.894 -8.541 -25.281 108 HA ALA 62 HA ALA 62 -9.723 -8.351 -24.459 109 HB1 ALA 62 HB1 ALA 62 -7.821 -10.722 -24.529 110 HB2 ALA 62 HB2 ALA 62 -9.562 -10.779 -24.194 111 HB3 ALA 62 HB3 ALA 62 -8.986 -10.275 -25.796 112 H LEU 63 H LEU 63 -10.456 -8.439 -22.399 113 HA LEU 63 HA LEU 63 -8.475 -8.412 -20.161 114 HB2 LEU 63 HB2 LEU 63 -11.092 -6.888 -20.224 115 HB3 LEU 63 HB3 LEU 63 -9.818 -6.784 -19.019 116 HG LEU 63 HG LEU 63 -9.693 -5.753 -21.887 117 HD11 LEU 63 HD11 LEU 63 -9.766 -4.289 -19.219 118 HD12 LEU 63 HD12 LEU 63 -9.679 -3.546 -20.831 119 HD13 LEU 63 HD13 LEU 63 -11.125 -4.448 -20.354 120 HD21 LEU 63 HD21 LEU 63 -7.435 -6.399 -21.229 121 HD22 LEU 63 HD22 LEU 63 -7.586 -4.650 -21.220 122 HD23 LEU 63 HD23 LEU 63 -7.607 -5.536 -19.676 123 H HIS 64 H HIS 64 -9.171 -9.320 -18.163 124 HA HIS 64 HA HIS 64 -11.197 -11.454 -18.272 125 HB2 HIS 64 HB2 HIS 64 -9.663 -10.194 -15.992 126 HB3 HIS 64 HB3 HIS 64 -10.785 -11.530 -15.785 127 HD2 HIS 64 HD2 HIS 64 -7.193 -10.839 -16.384 128 HE1 HIS 64 HE1 HIS 64 -7.694 -14.965 -17.336 129 HE2 HIS 64 HE2 HIS 64 -5.986 -13.135 -16.866 130 H ALA 65 H ALA 65 -13.355 -11.275 -17.745 131 HA ALA 65 HA ALA 65 -14.414 -8.570 -17.322 132 HB1 ALA 65 HB1 ALA 65 -15.803 -11.240 -17.773 133 HB2 ALA 65 HB2 ALA 65 -16.550 -9.633 -17.861 134 HB3 ALA 65 HB3 ALA 65 -15.309 -10.092 -19.044 135 H ASP 66 H ASP 66 -13.901 -11.378 -15.288 136 HA ASP 66 HA ASP 66 -15.370 -10.174 -13.020 137 HB2 ASP 66 HB2 ASP 66 -16.996 -11.466 -14.436 138 HB3 ASP 66 HB3 ASP 66 -16.011 -12.908 -14.196 139 H GLY 67 H GLY 67 -15.188 -11.611 -11.036 140 HA2 GLY 67 HA2 GLY 67 -14.071 -12.953 -9.533 141 HA3 GLY 67 HA3 GLY 67 -13.269 -13.712 -10.893 142 HA PRO 68 HA PRO 68 -10.023 -11.887 -8.218 143 HB2 PRO 68 HB2 PRO 68 -7.826 -13.170 -9.373 144 HB3 PRO 68 HB3 PRO 68 -8.918 -13.896 -8.150 145 HG2 PRO 68 HG2 PRO 68 -8.991 -14.181 -11.164 146 HG3 PRO 68 HG3 PRO 68 -9.132 -15.467 -9.922 147 HD2 PRO 68 HD2 PRO 68 -11.311 -14.441 -11.122 148 HD3 PRO 68 HD3 PRO 68 -11.345 -14.812 -9.370 149 H HIS 69 H HIS 69 -9.906 -11.903 -11.737 150 HA HIS 69 HA HIS 69 -7.855 -9.727 -11.805 151 HB2 HIS 69 HB2 HIS 69 -8.458 -12.017 -13.673 152 HB3 HIS 69 HB3 HIS 69 -7.321 -10.727 -14.025 153 HD2 HIS 69 HD2 HIS 69 -6.179 -13.462 -14.061 154 HE1 HIS 69 HE1 HIS 69 -4.408 -12.696 -10.273 155 HE2 HIS 69 HE2 HIS 69 -4.361 -14.229 -12.302 156 H ALA 70 H ALA 70 -10.985 -9.466 -11.811 157 HA ALA 70 HA ALA 70 -11.897 -8.712 -14.317 158 HB1 ALA 70 HB1 ALA 70 -12.611 -7.459 -11.638 159 HB2 ALA 70 HB2 ALA 70 -13.589 -7.398 -13.122 160 HB3 ALA 70 HB3 ALA 70 -13.300 -8.952 -12.313 161 H GLY 71 H GLY 71 -11.366 -7.229 -15.756 162 HA2 GLY 71 HA2 GLY 71 -10.868 -5.132 -16.653 163 HA3 GLY 71 HA3 GLY 71 -10.430 -4.518 -15.061 164 H LEU 72 H LEU 72 -8.648 -7.310 -15.179 165 HA LEU 72 HA LEU 72 -6.223 -5.933 -16.104 166 HB2 LEU 72 HB2 LEU 72 -6.537 -8.811 -15.200 167 HB3 LEU 72 HB3 LEU 72 -5.042 -7.918 -15.399 168 HG LEU 72 HG LEU 72 -7.104 -7.404 -13.233 169 HD11 LEU 72 HD11 LEU 72 -4.254 -8.447 -13.021 170 HD12 LEU 72 HD12 LEU 72 -5.495 -8.401 -11.757 171 HD13 LEU 72 HD13 LEU 72 -5.641 -9.527 -13.120 172 HD21 LEU 72 HD21 LEU 72 -5.985 -5.305 -13.836 173 HD22 LEU 72 HD22 LEU 72 -5.386 -5.899 -12.281 174 HD23 LEU 72 HD23 LEU 72 -4.396 -6.103 -13.743 175 HA PRO 73 HA PRO 73 -6.152 -7.816 -20.231 176 HB2 PRO 73 HB2 PRO 73 -3.431 -8.126 -20.601 177 HB3 PRO 73 HB3 PRO 73 -4.297 -6.575 -20.795 178 HG2 PRO 73 HG2 PRO 73 -2.750 -7.605 -18.400 179 HG3 PRO 73 HG3 PRO 73 -2.706 -5.962 -19.119 180 HD2 PRO 73 HD2 PRO 73 -4.160 -6.499 -16.912 181 HD3 PRO 73 HD3 PRO 73 -4.765 -5.371 -18.153 182 H VAL 74 H VAL 74 -6.027 -9.904 -21.146 183 HA VAL 74 HA VAL 74 -5.750 -12.027 -19.162 184 HB VAL 74 HB VAL 74 -6.473 -12.340 -22.086 185 HG11 VAL 74 HG11 VAL 74 -6.818 -14.137 -19.654 186 HG12 VAL 74 HG12 VAL 74 -7.509 -14.450 -21.260 187 HG13 VAL 74 HG13 VAL 74 -5.757 -14.451 -21.046 188 HG21 VAL 74 HG21 VAL 74 -8.105 -10.876 -20.950 189 HG22 VAL 74 HG22 VAL 74 -8.807 -12.460 -21.260 190 HG23 VAL 74 HG23 VAL 74 -8.250 -12.044 -19.624 191 H THR 75 H THR 75 -4.063 -11.481 -22.357 192 HA THR 75 HA THR 75 -1.933 -13.341 -21.443 193 HB THR 75 HB THR 75 -1.361 -13.595 -23.706 194 HG1 THR 75 HG1 THR 75 -2.676 -12.375 -25.301 195 HG21 THR 75 HG21 THR 75 -4.396 -13.535 -23.714 196 HG22 THR 75 HG22 THR 75 -3.326 -14.503 -24.746 197 HG23 THR 75 HG23 THR 75 -3.410 -14.835 -23.008 198 H ARG 76 H ARG 76 0.324 -12.868 -22.183 199 HA ARG 76 HA ARG 76 1.375 -10.326 -21.390 200 HB2 ARG 76 HB2 ARG 76 2.641 -12.475 -21.548 201 HB3 ARG 76 HB3 ARG 76 2.518 -12.416 -23.307 202 HG2 ARG 76 HG2 ARG 76 3.839 -10.243 -23.264 203 HG3 ARG 76 HG3 ARG 76 3.964 -10.416 -21.507 204 HD2 ARG 76 HD2 ARG 76 6.001 -11.206 -22.515 205 HD3 ARG 76 HD3 ARG 76 5.132 -12.589 -21.826 206 HE ARG 76 HE ARG 76 4.502 -12.171 -24.643 207 HH11 ARG 76 HH11 ARG 76 6.999 -13.593 -22.622 208 HH12 ARG 76 HH12 ARG 76 7.485 -14.708 -23.865 209 HH21 ARG 76 HH21 ARG 76 5.152 -13.656 -26.160 210 HH22 ARG 76 HH22 ARG 76 6.475 -14.726 -25.816 211 H SER 77 H SER 77 0.324 -11.470 -24.603 212 HA SER 77 HA SER 77 1.082 -9.102 -26.047 213 HB2 SER 77 HB2 SER 77 -1.117 -11.103 -26.679 214 HB3 SER 77 HB3 SER 77 -0.384 -9.940 -27.802 215 HG SER 77 HG SER 77 0.574 -12.042 -27.971 216 H ASP 78 H ASP 78 -2.035 -10.027 -24.425 217 HA ASP 78 HA ASP 78 -3.417 -7.602 -25.087 218 HB2 ASP 78 HB2 ASP 78 -3.668 -9.358 -22.616 219 HB3 ASP 78 HB3 ASP 78 -4.773 -8.064 -23.055 220 H ALA 79 H ALA 79 -1.308 -8.383 -22.280 221 HA ALA 79 HA ALA 79 -1.466 -5.861 -20.964 222 HB1 ALA 79 HB1 ALA 79 0.820 -7.832 -21.013 223 HB2 ALA 79 HB2 ALA 79 0.485 -6.580 -19.784 224 HB3 ALA 79 HB3 ALA 79 -0.621 -7.949 -19.985 225 H ARG 80 H ARG 80 0.901 -6.954 -23.430 226 HA ARG 80 HA ARG 80 2.324 -4.484 -23.681 227 HB2 ARG 80 HB2 ARG 80 2.960 -6.779 -24.561 228 HB3 ARG 80 HB3 ARG 80 1.761 -6.580 -25.836 229 HG2 ARG 80 HG2 ARG 80 2.962 -4.536 -26.629 230 HG3 ARG 80 HG3 ARG 80 4.186 -4.780 -25.371 231 HD2 ARG 80 HD2 ARG 80 3.522 -6.792 -27.549 232 HD3 ARG 80 HD3 ARG 80 4.817 -5.593 -27.673 233 HE ARG 80 HE ARG 80 5.548 -6.753 -25.370 234 HH11 ARG 80 HH11 ARG 80 4.683 -8.267 -28.414 235 HH12 ARG 80 HH12 ARG 80 5.704 -9.644 -28.132 236 HH21 ARG 80 HH21 ARG 80 6.845 -8.555 -25.070 237 HH22 ARG 80 HH22 ARG 80 6.911 -9.784 -26.293 238 H VAL 81 H VAL 81 -0.696 -5.551 -25.317 239 HA VAL 81 HA VAL 81 -0.767 -3.211 -27.066 240 HB VAL 81 HB VAL 81 -2.784 -5.381 -26.403 241 HG11 VAL 81 HG11 VAL 81 -3.056 -3.093 -28.405 242 HG12 VAL 81 HG12 VAL 81 -4.103 -4.527 -28.321 243 HG13 VAL 81 HG13 VAL 81 -4.093 -3.372 -26.991 244 HG21 VAL 81 HG21 VAL 81 -0.785 -5.980 -27.830 245 HG22 VAL 81 HG22 VAL 81 -2.317 -6.102 -28.699 246 HG23 VAL 81 HG23 VAL 81 -1.249 -4.704 -28.963 247 H LEU 82 H LEU 82 -2.362 -4.058 -23.939 248 HA LEU 82 HA LEU 82 -3.812 -1.684 -23.680 249 HB2 LEU 82 HB2 LEU 82 -3.198 -3.965 -22.055 250 HB3 LEU 82 HB3 LEU 82 -2.690 -2.584 -21.108 251 HG LEU 82 HG LEU 82 -5.425 -3.036 -22.343 252 HD11 LEU 82 HD11 LEU 82 -4.442 -3.053 -19.447 253 HD12 LEU 82 HD12 LEU 82 -6.142 -3.179 -19.941 254 HD13 LEU 82 HD13 LEU 82 -5.000 -4.452 -20.394 255 HD21 LEU 82 HD21 LEU 82 -4.975 -0.624 -22.269 256 HD22 LEU 82 HD22 LEU 82 -6.106 -1.033 -20.978 257 HD23 LEU 82 HD23 LEU 82 -4.387 -0.755 -20.599 258 H ILE 83 H ILE 83 -0.465 -2.373 -22.520 259 HA ILE 83 HA ILE 83 0.044 0.240 -21.490 260 HB ILE 83 HB ILE 83 1.953 -1.846 -22.607 261 HG12 ILE 83 HG12 ILE 83 1.547 -1.062 -19.692 262 HG13 ILE 83 HG13 ILE 83 0.516 -2.269 -20.447 263 HG21 ILE 83 HG21 ILE 83 2.497 0.829 -21.234 264 HG22 ILE 83 HG22 ILE 83 3.687 -0.466 -21.221 265 HG23 ILE 83 HG23 ILE 83 3.173 0.231 -22.764 266 HD11 ILE 83 HD11 ILE 83 3.542 -2.482 -20.203 267 HD12 ILE 83 HD12 ILE 83 2.320 -3.389 -19.288 268 HD13 ILE 83 HD13 ILE 83 2.490 -3.646 -21.034 269 H PHE 84 H PHE 84 0.620 -1.079 -24.809 270 HA PHE 84 HA PHE 84 1.771 1.282 -25.842 271 HB2 PHE 84 HB2 PHE 84 1.743 -0.988 -26.897 272 HB3 PHE 84 HB3 PHE 84 0.066 -0.738 -27.343 273 HD1 PHE 84 HD1 PHE 84 3.492 0.772 -27.679 274 HD2 PHE 84 HD2 PHE 84 -0.476 0.485 -29.321 275 HE1 PHE 84 HE1 PHE 84 4.267 1.954 -29.702 276 HE2 PHE 84 HE2 PHE 84 0.291 1.715 -31.353 277 HZ PHE 84 HZ PHE 84 2.664 2.422 -31.559 278 H ASN 85 H ASN 85 -1.722 0.304 -26.112 279 HA ASN 85 HA ASN 85 -2.563 2.714 -27.360 280 HB2 ASN 85 HB2 ASN 85 -3.878 0.632 -27.300 281 HB3 ASN 85 HB3 ASN 85 -4.082 0.775 -25.553 282 HD21 ASN 85 HD22 ASN 85 -5.747 2.156 -24.756 283 HD22 ASN 85 HD21 ASN 85 -6.781 3.063 -25.841 284 H ASP 86 H ASP 86 -2.393 1.928 -23.853 285 HA ASP 86 HA ASP 86 -3.499 4.387 -22.881 286 HB2 ASP 86 HB2 ASP 86 -3.271 2.313 -21.562 287 HB3 ASP 86 HB3 ASP 86 -1.512 2.449 -21.635 288 H TRP 87 H TRP 87 -0.087 3.417 -23.561 289 HA TRP 87 HA TRP 87 1.092 5.941 -22.890 290 HB2 TRP 87 HB2 TRP 87 2.493 4.027 -23.012 291 HB3 TRP 87 HB3 TRP 87 1.925 3.616 -24.626 292 HD1 TRP 87 HD1 TRP 87 4.192 6.231 -22.911 293 HE1 TRP 87 HE1 TRP 87 5.964 6.965 -24.639 294 HE3 TRP 87 HE3 TRP 87 2.239 4.053 -27.137 295 HZ2 TRP 87 HZ2 TRP 87 6.527 6.568 -27.413 296 HZ3 TRP 87 HZ3 TRP 87 3.366 4.345 -29.323 297 HH2 TRP 87 HH2 TRP 87 5.530 5.551 -29.476 298 H GLU 88 H GLU 88 -0.185 4.728 -26.081 299 HA GLU 88 HA GLU 88 0.582 7.040 -27.566 300 HB2 GLU 88 HB2 GLU 88 -1.751 5.112 -27.924 301 HB3 GLU 88 HB3 GLU 88 -1.443 6.473 -29.000 302 HG2 GLU 88 HG2 GLU 88 0.858 5.566 -29.433 303 HG3 GLU 88 HG3 GLU 88 0.379 4.089 -28.593 304 H GLU 89 H GLU 89 -2.518 6.450 -25.721 305 HA GLU 89 HA GLU 89 -3.683 8.969 -26.337 306 HB2 GLU 89 HB2 GLU 89 -4.791 6.918 -25.409 307 HB3 GLU 89 HB3 GLU 89 -3.932 7.169 -23.889 308 HG2 GLU 89 HG2 GLU 89 -6.101 7.965 -23.587 309 HG3 GLU 89 HG3 GLU 89 -5.072 9.392 -23.677 310 H ARG 90 H ARG 90 -1.662 7.951 -23.519 311 HA ARG 90 HA ARG 90 -1.600 10.604 -22.358 312 HB2 ARG 90 HB2 ARG 90 0.211 8.211 -21.875 313 HB3 ARG 90 HB3 ARG 90 0.205 9.718 -20.934 314 HG2 ARG 90 HG2 ARG 90 -2.118 9.372 -20.248 315 HG3 ARG 90 HG3 ARG 90 -2.203 7.883 -21.196 316 HD2 ARG 90 HD2 ARG 90 -0.122 7.139 -19.781 317 HD3 ARG 90 HD3 ARG 90 -0.594 8.437 -18.673 318 HE ARG 90 HE ARG 90 -1.933 5.875 -19.242 319 HH11 ARG 90 HH11 ARG 90 -2.399 8.924 -17.516 320 HH12 ARG 90 HH12 ARG 90 -3.846 8.333 -16.751 321 HH21 ARG 90 HH21 ARG 90 -3.791 5.333 -18.482 322 HH22 ARG 90 HH22 ARG 90 -4.612 6.269 -17.232 323 H LYS 91 H LYS 91 0.415 9.127 -24.859 324 HA LYS 91 HA LYS 91 2.395 11.250 -24.875 325 HB2 LYS 91 HB2 LYS 91 2.795 8.994 -25.832 326 HB3 LYS 91 HB3 LYS 91 1.593 9.324 -27.092 327 HG2 LYS 91 HG2 LYS 91 2.995 11.258 -27.866 328 HG3 LYS 91 HG3 LYS 91 4.185 10.862 -26.609 329 HD2 LYS 91 HD2 LYS 91 4.506 8.622 -27.655 330 HD3 LYS 91 HD3 LYS 91 3.322 9.047 -28.910 331 HE2 LYS 91 HE2 LYS 91 4.740 11.017 -29.547 332 HE3 LYS 91 HE3 LYS 91 5.941 10.526 -28.347 333 HZ1 LYS 91 HZ1 LYS 91 5.121 8.891 -30.708 334 HZ2 LYS 91 HZ2 LYS 91 6.515 9.729 -30.582 335 HZ3 LYS 91 HZ3 LYS 91 6.255 8.446 -29.606 336 H ARG 92 H ARG 92 -0.686 10.726 -26.610 337 HA ARG 92 HA ARG 92 -0.596 13.162 -28.158 338 HB2 ARG 92 HB2 ARG 92 -2.876 11.377 -27.228 339 HB3 ARG 92 HB3 ARG 92 -3.143 12.832 -28.190 340 HG2 ARG 92 HG2 ARG 92 -1.803 11.984 -30.019 341 HG3 ARG 92 HG3 ARG 92 -1.287 10.578 -29.078 342 HD2 ARG 92 HD2 ARG 92 -3.592 9.752 -28.961 343 HD3 ARG 92 HD3 ARG 92 -4.186 11.163 -29.832 344 HE ARG 92 HE ARG 92 -2.703 8.845 -30.917 345 HH11 ARG 92 HH11 ARG 92 -3.920 12.046 -31.699 346 HH12 ARG 92 HH12 ARG 92 -3.818 11.762 -33.413 347 HH21 ARG 92 HH21 ARG 92 -2.599 8.556 -33.115 348 HH22 ARG 92 HH22 ARG 92 -3.088 9.834 -34.187 349 H SER 93 H SER 93 -1.752 12.589 -24.782 350 HA SER 93 HA SER 93 -2.344 15.465 -24.534 351 HB2 SER 93 HB2 SER 93 -2.841 15.018 -22.218 352 HB3 SER 93 HB3 SER 93 -3.698 13.917 -23.309 353 HG SER 93 HG SER 93 -2.757 12.863 -21.462 354 H GLU 94 H GLU 94 0.406 13.416 -23.528 355 HA GLU 94 HA GLU 94 2.004 15.835 -22.794 356 HB2 GLU 94 HB2 GLU 94 1.724 13.223 -21.268 357 HB3 GLU 94 HB3 GLU 94 2.919 14.474 -20.952 358 HG2 GLU 94 HG2 GLU 94 1.073 16.117 -20.578 359 HG3 GLU 94 HG3 GLU 94 -0.101 14.808 -20.748 360 HA PRO 95 HA PRO 95 3.963 13.517 -26.090 361 HB2 PRO 95 HB2 PRO 95 5.744 15.370 -27.074 362 HB3 PRO 95 HB3 PRO 95 3.971 15.461 -27.291 363 HG2 PRO 95 HG2 PRO 95 5.653 16.822 -25.156 364 HG3 PRO 95 HG3 PRO 95 4.436 17.569 -26.245 365 HD2 PRO 95 HD2 PRO 95 3.774 16.828 -23.733 366 HD3 PRO 95 HD3 PRO 95 2.636 16.532 -25.085 367 H TRP 96 H TRP 96 5.696 14.253 -23.266 368 HA TRP 96 HA TRP 96 8.328 13.271 -24.103 369 HB2 TRP 96 HB2 TRP 96 8.870 13.740 -21.718 370 HB3 TRP 96 HB3 TRP 96 8.219 15.103 -22.605 371 HD1 TRP 96 HD1 TRP 96 6.897 12.383 -20.181 372 HE1 TRP 96 HE1 TRP 96 5.076 13.420 -18.682 373 HE3 TRP 96 HE3 TRP 96 6.597 17.014 -22.355 374 HZ2 TRP 96 HZ2 TRP 96 3.669 15.936 -18.471 375 HZ3 TRP 96 HZ3 TRP 96 4.954 18.685 -21.530 376 HH2 TRP 96 HH2 TRP 96 3.497 18.162 -19.586 377 H LEU 97 H LEU 97 5.599 11.540 -23.504 378 HA LEU 97 HA LEU 97 6.185 9.910 -21.367 379 HB2 LEU 97 HB2 LEU 97 4.066 10.286 -23.068 380 HB3 LEU 97 HB3 LEU 97 4.583 8.739 -23.623 381 HG LEU 97 HG LEU 97 3.062 8.047 -22.093 382 HD11 LEU 97 HD11 LEU 97 5.191 8.616 -19.976 383 HD12 LEU 97 HD12 LEU 97 3.879 7.431 -19.906 384 HD13 LEU 97 HD13 LEU 97 5.187 7.198 -21.052 385 HD21 LEU 97 HD21 LEU 97 2.366 10.305 -21.556 386 HD22 LEU 97 HD22 LEU 97 2.380 9.252 -20.126 387 HD23 LEU 97 HD23 LEU 97 3.678 10.454 -20.369 388 H ARG 98 H ARG 98 7.528 8.204 -20.955 389 HA ARG 98 HA ARG 98 9.010 6.815 -23.095 390 HB2 ARG 98 HB2 ARG 98 8.962 6.476 -20.062 391 HB3 ARG 98 HB3 ARG 98 9.936 5.487 -21.152 392 HG2 ARG 98 HG2 ARG 98 11.134 7.505 -21.951 393 HG3 ARG 98 HG3 ARG 98 10.216 8.500 -20.797 394 HD2 ARG 98 HD2 ARG 98 11.106 7.190 -18.917 395 HD3 ARG 98 HD3 ARG 98 11.942 6.100 -20.042 396 HE ARG 98 HE ARG 98 12.789 8.790 -20.528 397 HH11 ARG 98 HH11 ARG 98 13.221 6.303 -18.088 398 HH12 ARG 98 HH12 ARG 98 14.802 6.875 -17.651 399 HH21 ARG 98 HH21 ARG 98 14.814 9.471 -19.920 400 HH22 ARG 98 HH22 ARG 98 15.683 8.640 -18.667 401 H LEU 99 H LEU 99 8.961 4.610 -23.555 402 HA LEU 99 HA LEU 99 6.454 3.175 -22.770 403 HB2 LEU 99 HB2 LEU 99 6.406 4.079 -25.015 404 HB3 LEU 99 HB3 LEU 99 7.865 3.243 -25.461 405 HG LEU 99 HG LEU 99 5.473 2.376 -26.166 406 HD11 LEU 99 HD11 LEU 99 7.549 0.436 -25.089 407 HD12 LEU 99 HD12 LEU 99 6.350 0.121 -26.346 408 HD13 LEU 99 HD13 LEU 99 7.618 1.290 -26.644 409 HD21 LEU 99 HD21 LEU 99 4.518 2.329 -23.901 410 HD22 LEU 99 HD22 LEU 99 4.384 0.829 -24.814 411 HD23 LEU 99 HD23 LEU 99 5.590 0.954 -23.510 412 H ASP 100 H ASP 100 7.144 1.890 -21.187 413 HA ASP 100 HA ASP 100 9.592 0.210 -21.584 414 HB2 ASP 100 HB2 ASP 100 8.334 1.331 -19.061 415 HB3 ASP 100 HB3 ASP 100 9.714 0.231 -19.103 416 H MET 101 H MET 101 8.217 -1.282 -22.791 417 HA MET 101 HA MET 101 6.733 -3.155 -21.000 418 HB2 MET 101 HB2 MET 101 4.939 -3.402 -22.526 419 HB3 MET 101 HB3 MET 101 5.158 -1.707 -22.110 420 HG2 MET 101 HG2 MET 101 6.193 -1.246 -24.265 421 HG3 MET 101 HG3 MET 101 6.128 -2.960 -24.694 422 HE1 MET 101 HE1 MET 101 5.236 -2.476 -26.808 423 HE2 MET 101 HE2 MET 101 3.530 -2.170 -27.170 424 HE3 MET 101 HE3 MET 101 4.610 -0.804 -26.822 425 H SER 102 H SER 102 9.436 -3.512 -21.830 426 HA SER 102 HA SER 102 9.559 -5.795 -23.656 427 HB2 SER 102 HB2 SER 102 11.561 -4.524 -22.902 428 HB3 SER 102 HB3 SER 102 11.294 -5.112 -21.247 429 HG SER 102 HG SER 102 12.817 -6.392 -22.499 430 H ASP 103 H ASP 103 9.766 -8.112 -22.833 431 HA ASP 103 HA ASP 103 7.394 -8.770 -21.420 432 HB2 ASP 103 HB2 ASP 103 8.071 -11.049 -21.550 433 HB3 ASP 103 HB3 ASP 103 8.483 -10.248 -23.058 434 H LYS 104 H LYS 104 10.710 -8.486 -20.174 435 HA LYS 104 HA LYS 104 10.218 -9.358 -17.489 436 HB2 LYS 104 HB2 LYS 104 12.262 -7.484 -18.687 437 HB3 LYS 104 HB3 LYS 104 12.206 -7.879 -16.954 438 HG2 LYS 104 HG2 LYS 104 12.354 -10.290 -17.443 439 HG3 LYS 104 HG3 LYS 104 12.313 -9.964 -19.178 440 HD2 LYS 104 HD2 LYS 104 14.539 -10.427 -18.587 441 HD3 LYS 104 HD3 LYS 104 14.423 -8.704 -18.991 442 HE2 LYS 104 HE2 LYS 104 14.420 -8.134 -16.570 443 HE3 LYS 104 HE3 LYS 104 14.443 -9.853 -16.155 444 HZ1 LYS 104 HZ1 LYS 104 16.618 -8.431 -17.619 445 HZ2 LYS 104 HZ2 LYS 104 16.677 -8.886 -16.053 446 HZ3 LYS 104 HZ3 LYS 104 16.635 -10.019 -17.225 447 H ALA 105 H ALA 105 9.766 -6.148 -18.996 448 HA ALA 105 HA ALA 105 8.946 -4.833 -16.535 449 HB1 ALA 105 HB1 ALA 105 8.484 -4.008 -19.434 450 HB2 ALA 105 HB2 ALA 105 8.393 -2.972 -17.996 451 HB3 ALA 105 HB3 ALA 105 9.948 -3.660 -18.493 452 H ILE 106 H ILE 106 7.173 -6.470 -19.199 453 HA ILE 106 HA ILE 106 4.496 -5.885 -18.211 454 HB ILE 106 HB ILE 106 5.448 -8.218 -19.898 455 HG12 ILE 106 HG12 ILE 106 4.116 -5.572 -20.671 456 HG13 ILE 106 HG13 ILE 106 5.828 -5.912 -20.872 457 HG21 ILE 106 HG21 ILE 106 2.629 -7.136 -19.351 458 HG22 ILE 106 HG22 ILE 106 3.021 -8.401 -20.521 459 HG23 ILE 106 HG23 ILE 106 3.266 -8.712 -18.806 460 HD11 ILE 106 HD11 ILE 106 3.559 -7.299 -22.334 461 HD12 ILE 106 HD12 ILE 106 4.762 -6.187 -22.987 462 HD13 ILE 106 HD13 ILE 106 5.271 -7.791 -22.422 463 H PHE 107 H PHE 107 6.654 -8.739 -17.562 464 HA PHE 107 HA PHE 107 4.799 -9.778 -15.620 465 HB2 PHE 107 HB2 PHE 107 7.755 -10.313 -16.041 466 HB3 PHE 107 HB3 PHE 107 6.709 -11.242 -14.972 467 HD1 PHE 107 HD1 PHE 107 4.268 -11.786 -16.379 468 HD2 PHE 107 HD2 PHE 107 8.283 -11.590 -17.953 469 HE1 PHE 107 HE1 PHE 107 3.649 -13.378 -18.180 470 HE2 PHE 107 HE2 PHE 107 7.658 -13.184 -19.739 471 HZ PHE 107 HZ PHE 107 5.337 -14.086 -19.855 472 H ARG 108 H ARG 108 7.576 -7.546 -15.151 473 HA ARG 108 HA ARG 108 7.359 -7.609 -12.247 474 HB2 ARG 108 HB2 ARG 108 8.654 -5.674 -14.208 475 HB3 ARG 108 HB3 ARG 108 8.696 -5.405 -12.474 476 HG2 ARG 108 HG2 ARG 108 9.755 -7.956 -13.766 477 HG3 ARG 108 HG3 ARG 108 10.740 -6.521 -13.447 478 HD2 ARG 108 HD2 ARG 108 10.208 -6.693 -11.032 479 HD3 ARG 108 HD3 ARG 108 9.264 -8.166 -11.349 480 HE ARG 108 HE ARG 108 11.831 -8.571 -12.455 481 HH11 ARG 108 HH11 ARG 108 10.494 -8.187 -9.236 482 HH12 ARG 108 HH12 ARG 108 11.763 -9.122 -8.496 483 HH21 ARG 108 HH21 ARG 108 13.424 -9.755 -11.444 484 HH22 ARG 108 HH22 ARG 108 13.377 -9.985 -9.722 485 H ARG 109 H ARG 109 5.860 -5.504 -14.691 486 HA ARG 109 HA ARG 109 4.496 -3.844 -12.700 487 HB2 ARG 109 HB2 ARG 109 5.233 -3.132 -14.991 488 HB3 ARG 109 HB3 ARG 109 3.963 -4.153 -15.685 489 HG2 ARG 109 HG2 ARG 109 2.244 -2.803 -14.496 490 HG3 ARG 109 HG3 ARG 109 3.520 -1.809 -13.773 491 HD2 ARG 109 HD2 ARG 109 2.945 -2.063 -16.760 492 HD3 ARG 109 HD3 ARG 109 2.431 -0.739 -15.728 493 HE ARG 109 HE ARG 109 4.698 -0.033 -15.402 494 HH11 ARG 109 HH11 ARG 109 4.551 -2.505 -17.918 495 HH12 ARG 109 HH12 ARG 109 5.959 -1.827 -18.727 496 HH21 ARG 109 HH21 ARG 109 6.559 0.626 -16.470 497 HH22 ARG 109 HH22 ARG 109 7.049 -0.231 -17.917 498 H TYR 110 H TYR 110 3.600 -6.637 -14.670 499 HA TYR 110 HA TYR 110 1.083 -7.041 -13.113 500 HB2 TYR 110 HB2 TYR 110 1.511 -7.222 -16.119 501 HB3 TYR 110 HB3 TYR 110 0.128 -7.846 -15.255 502 HD1 TYR 110 HD2 TYR 110 -1.428 -6.327 -14.010 503 HD2 TYR 110 HD1 TYR 110 1.563 -4.916 -16.781 504 HE1 TYR 110 HE2 TYR 110 -2.736 -4.237 -14.356 505 HE2 TYR 110 HE1 TYR 110 0.272 -2.805 -17.099 506 HH TYR 110 HH TYR 110 -1.617 -1.608 -16.529 507 HA PRO 111 HA PRO 111 3.692 -10.903 -13.015 508 HB2 PRO 111 HB2 PRO 111 3.069 -11.728 -10.478 509 HB3 PRO 111 HB3 PRO 111 4.298 -10.476 -10.829 510 HG2 PRO 111 HG2 PRO 111 1.395 -10.061 -10.042 511 HG3 PRO 111 HG3 PRO 111 2.853 -9.293 -9.334 512 HD2 PRO 111 HD2 PRO 111 1.364 -8.037 -11.218 513 HD3 PRO 111 HD3 PRO 111 3.149 -7.900 -11.228 514 H HIS 112 H HIS 112 0.248 -10.352 -12.655 515 HA HIS 112 HA HIS 112 -0.608 -13.067 -12.447 516 HB2 HIS 112 HB2 HIS 112 -2.748 -12.259 -12.782 517 HB3 HIS 112 HB3 HIS 112 -1.926 -10.947 -11.950 518 HD2 HIS 112 HD2 HIS 112 -3.709 -11.869 -15.165 519 HE1 HIS 112 HE1 HIS 112 -2.299 -7.901 -15.807 520 HE2 HIS 112 HE2 HIS 112 -3.752 -9.786 -16.757 521 H LEU 113 H LEU 113 0.770 -11.469 -15.207 522 HA LEU 113 HA LEU 113 -0.557 -13.048 -17.244 523 HB2 LEU 113 HB2 LEU 113 2.055 -11.469 -17.297 524 HB3 LEU 113 HB3 LEU 113 1.421 -12.346 -18.671 525 HG LEU 113 HG LEU 113 0.845 -10.140 -19.102 526 HD11 LEU 113 HD11 LEU 113 -1.695 -11.157 -17.764 527 HD12 LEU 113 HD12 LEU 113 -1.563 -10.083 -19.165 528 HD13 LEU 113 HD13 LEU 113 -1.105 -11.794 -19.302 529 HD21 LEU 113 HD21 LEU 113 1.313 -9.151 -17.074 530 HD22 LEU 113 HD22 LEU 113 -0.295 -8.636 -17.616 531 HD23 LEU 113 HD23 LEU 113 -0.144 -9.837 -16.308 532 H ARG 114 H ARG 114 1.706 -13.998 -14.898 533 HA ARG 114 HA ARG 114 2.117 -16.558 -16.336 534 HB2 ARG 114 HB2 ARG 114 4.144 -14.856 -14.949 535 HB3 ARG 114 HB3 ARG 114 4.154 -16.573 -14.505 536 HG2 ARG 114 HG2 ARG 114 4.128 -17.185 -16.939 537 HG3 ARG 114 HG3 ARG 114 4.340 -15.489 -17.347 538 HD2 ARG 114 HD2 ARG 114 6.235 -17.183 -15.672 539 HD3 ARG 114 HD3 ARG 114 6.438 -16.849 -17.390 540 HE ARG 114 HE ARG 114 6.514 -14.383 -16.722 541 HH11 ARG 114 HH11 ARG 114 7.783 -16.888 -14.613 542 HH12 ARG 114 HH12 ARG 114 9.020 -15.849 -13.962 543 HH21 ARG 114 HH21 ARG 114 8.169 -13.136 -15.879 544 HH22 ARG 114 HH22 ARG 114 9.209 -13.783 -14.644 Start of MODEL 18 1 H1 MET 1 H1 MET 1 24.180 4.053 -8.919 2 H2 MET 1 H2 MET 1 25.122 4.552 -7.687 3 H3 MET 1 H3 MET 1 23.909 3.497 -7.404 4 HA MET 1 HA MET 1 26.320 3.033 -9.032 5 HB2 MET 1 HB2 MET 1 27.278 1.632 -7.457 6 HB3 MET 1 HB3 MET 1 26.829 3.102 -6.624 7 HG2 MET 1 HG2 MET 1 25.507 0.379 -6.400 8 HG3 MET 1 HG3 MET 1 26.498 1.193 -5.212 9 HE1 MET 1 HE1 MET 1 24.759 0.614 -3.330 10 HE2 MET 1 HE2 MET 1 23.026 0.997 -3.435 11 HE3 MET 1 HE3 MET 1 23.738 -0.203 -4.538 12 H ARG 2 H ARG 2 23.584 1.044 -7.637 13 HA ARG 2 HA ARG 2 23.707 -0.676 -10.084 14 HB2 ARG 2 HB2 ARG 2 22.302 -1.017 -7.399 15 HB3 ARG 2 HB3 ARG 2 22.110 -2.112 -8.772 16 HG2 ARG 2 HG2 ARG 2 24.529 -2.617 -8.755 17 HG3 ARG 2 HG3 ARG 2 24.756 -1.529 -7.375 18 HD2 ARG 2 HD2 ARG 2 23.201 -2.913 -6.027 19 HD3 ARG 2 HD3 ARG 2 23.007 -4.021 -7.405 20 HE ARG 2 HE ARG 2 25.785 -3.788 -6.863 21 HH11 ARG 2 HH11 ARG 2 22.975 -5.171 -5.282 22 HH12 ARG 2 HH12 ARG 2 23.924 -6.362 -4.434 23 HH21 ARG 2 HH21 ARG 2 26.937 -5.322 -5.752 24 HH22 ARG 2 HH22 ARG 2 26.119 -6.440 -4.699 25 H GLY 3 H GLY 3 21.683 -1.269 -11.120 26 HA2 GLY 3 HA2 GLY 3 19.220 0.113 -10.801 27 HA3 GLY 3 HA3 GLY 3 20.169 0.977 -12.010 28 H SER 4 H SER 4 17.942 0.190 -12.980 29 HA SER 4 HA SER 4 17.930 -2.496 -14.153 30 HB2 SER 4 HB2 SER 4 15.849 -1.707 -15.224 31 HB3 SER 4 HB3 SER 4 15.849 -1.460 -13.472 32 HG SER 4 HG SER 4 15.089 0.405 -14.570 33 H HIS 5 H HIS 5 17.506 -2.684 -16.576 34 HA HIS 5 HA HIS 5 19.743 -1.434 -18.002 35 HB2 HIS 5 HB2 HIS 5 17.805 -3.596 -18.873 36 HB3 HIS 5 HB3 HIS 5 19.180 -3.008 -19.812 37 HD2 HIS 5 HD2 HIS 5 18.290 -5.617 -17.331 38 HE1 HIS 5 HE1 HIS 5 22.543 -5.332 -17.051 39 HE2 HIS 5 HE2 HIS 5 20.504 -6.712 -16.404 40 H HIS 6 H HIS 6 16.693 -2.045 -19.682 41 HA HIS 6 HA HIS 6 16.334 0.851 -20.287 42 HB2 HIS 6 HB2 HIS 6 17.153 -1.276 -22.307 43 HB3 HIS 6 HB3 HIS 6 16.340 0.212 -22.770 44 HD2 HIS 6 HD2 HIS 6 19.784 -1.135 -22.073 45 HE1 HIS 6 HE1 HIS 6 20.251 3.124 -22.225 46 HE2 HIS 6 HE2 HIS 6 21.485 0.883 -22.203 47 H HIS 7 H HIS 7 15.214 -2.402 -21.356 48 HA HIS 7 HA HIS 7 13.211 -3.288 -21.792 49 HB2 HIS 7 HB2 HIS 7 12.204 -1.441 -19.617 50 HB3 HIS 7 HB3 HIS 7 11.334 -2.821 -20.275 51 HD2 HIS 7 HD2 HIS 7 13.712 -1.963 -17.558 52 HE1 HIS 7 HE1 HIS 7 14.057 -6.194 -17.975 53 HE2 HIS 7 HE2 HIS 7 14.623 -4.204 -16.497 54 H HIS 8 H HIS 8 13.773 -0.383 -23.078 55 HA HIS 8 HA HIS 8 11.274 0.359 -24.249 56 HB2 HIS 8 HB2 HIS 8 14.064 0.467 -25.453 57 HB3 HIS 8 HB3 HIS 8 12.650 1.319 -26.050 58 HD2 HIS 8 HD2 HIS 8 11.880 3.559 -24.791 59 HE1 HIS 8 HE1 HIS 8 15.266 3.814 -22.145 60 HE2 HIS 8 HE2 HIS 8 13.245 5.059 -23.096 61 H HIS 9 H HIS 9 9.979 -0.727 -25.654 62 HA HIS 9 HA HIS 9 11.001 -2.727 -27.554 63 HB2 HIS 9 HB2 HIS 9 10.351 -3.551 -24.935 64 HB3 HIS 9 HB3 HIS 9 8.886 -3.892 -25.826 65 HD2 HIS 9 HD2 HIS 9 12.716 -4.469 -26.549 66 HE1 HIS 9 HE1 HIS 9 10.684 -8.166 -27.166 67 HE2 HIS 9 HE2 HIS 9 12.947 -7.004 -27.223 68 H HIS 10 H HIS 10 9.704 -2.602 -29.390 69 HA HIS 10 HA HIS 10 7.690 -0.523 -29.256 70 HB2 HIS 10 HB2 HIS 10 9.474 -0.669 -30.985 71 HB3 HIS 10 HB3 HIS 10 8.645 -2.064 -31.684 72 HD2 HIS 10 HD2 HIS 10 7.740 -1.068 -33.932 73 HE1 HIS 10 HE1 HIS 10 5.659 2.330 -32.404 74 HE2 HIS 10 HE2 HIS 10 6.134 0.946 -34.489 75 H GLY 11 H GLY 11 5.656 -0.492 -30.318 76 HA2 GLY 11 HA2 GLY 11 4.005 -2.949 -29.837 77 HA3 GLY 11 HA3 GLY 11 3.444 -1.287 -29.786 78 H SER 12 H SER 12 1.795 -1.642 -31.205 79 HA SER 12 HA SER 12 2.430 -1.518 -34.065 80 HB2 SER 12 HB2 SER 12 2.393 -3.969 -33.634 81 HB3 SER 12 HB3 SER 12 0.736 -3.827 -33.020 82 HG SER 12 HG SER 12 0.841 -4.445 -35.262 83 H GLY 58 H GLY 58 -0.197 -1.878 -31.635 84 HA2 GLY 58 HA2 GLY 58 -1.876 -0.157 -31.283 85 HA3 GLY 58 HA3 GLY 58 -1.777 0.285 -32.981 86 H ALA 59 H ALA 59 -3.301 -1.704 -30.660 87 HA ALA 59 HA ALA 59 -5.114 -2.998 -32.584 88 HB1 ALA 59 HB1 ALA 59 -3.233 -4.589 -30.765 89 HB2 ALA 59 HB2 ALA 59 -4.503 -5.275 -31.799 90 HB3 ALA 59 HB3 ALA 59 -3.107 -4.477 -32.534 91 H LEU 60 H LEU 60 -6.590 -4.585 -31.239 92 HA LEU 60 HA LEU 60 -7.560 -3.255 -28.767 93 HB2 LEU 60 HB2 LEU 60 -8.608 -5.666 -30.303 94 HB3 LEU 60 HB3 LEU 60 -9.380 -4.936 -28.901 95 HG LEU 60 HG LEU 60 -8.981 -3.574 -31.603 96 HD11 LEU 60 HD11 LEU 60 -11.486 -4.662 -30.251 97 HD12 LEU 60 HD12 LEU 60 -11.416 -3.809 -31.810 98 HD13 LEU 60 HD13 LEU 60 -10.646 -5.394 -31.636 99 HD21 LEU 60 HD21 LEU 60 -9.003 -1.886 -29.823 100 HD22 LEU 60 HD22 LEU 60 -10.535 -1.852 -30.698 101 HD23 LEU 60 HD23 LEU 60 -10.452 -2.629 -29.101 102 H ALA 61 H ALA 61 -7.764 -4.360 -26.774 103 HA ALA 61 HA ALA 61 -6.089 -6.810 -26.396 104 HB1 ALA 61 HB1 ALA 61 -6.329 -4.409 -24.533 105 HB2 ALA 61 HB2 ALA 61 -5.470 -5.919 -24.173 106 HB3 ALA 61 HB3 ALA 61 -4.898 -4.869 -25.479 107 H ALA 62 H ALA 62 -6.993 -8.444 -25.239 108 HA ALA 62 HA ALA 62 -9.821 -8.197 -24.407 109 HB1 ALA 62 HB1 ALA 62 -7.956 -10.599 -24.471 110 HB2 ALA 62 HB2 ALA 62 -9.693 -10.627 -24.108 111 HB3 ALA 62 HB3 ALA 62 -9.134 -10.153 -25.725 112 H LEU 63 H LEU 63 -10.537 -8.257 -22.341 113 HA LEU 63 HA LEU 63 -8.547 -8.303 -20.112 114 HB2 LEU 63 HB2 LEU 63 -11.132 -6.726 -20.141 115 HB3 LEU 63 HB3 LEU 63 -9.860 -6.675 -18.930 116 HG LEU 63 HG LEU 63 -9.707 -5.583 -21.774 117 HD11 LEU 63 HD11 LEU 63 -9.757 -4.179 -19.074 118 HD12 LEU 63 HD12 LEU 63 -9.652 -3.400 -20.668 119 HD13 LEU 63 HD13 LEU 63 -11.117 -4.286 -20.216 120 HD21 LEU 63 HD21 LEU 63 -7.464 -6.284 -21.135 121 HD22 LEU 63 HD22 LEU 63 -7.580 -4.533 -21.074 122 HD23 LEU 63 HD23 LEU 63 -7.621 -5.464 -19.556 123 H HIS 64 H HIS 64 -9.243 -9.257 -18.141 124 HA HIS 64 HA HIS 64 -11.269 -11.380 -18.294 125 HB2 HIS 64 HB2 HIS 64 -9.709 -10.160 -16.010 126 HB3 HIS 64 HB3 HIS 64 -10.854 -11.476 -15.792 127 HD2 HIS 64 HD2 HIS 64 -7.261 -10.867 -16.392 128 HE1 HIS 64 HE1 HIS 64 -7.861 -14.966 -17.401 129 HE2 HIS 64 HE2 HIS 64 -6.109 -13.186 -16.903 130 H ALA 65 H ALA 65 -13.418 -11.250 -17.727 131 HA ALA 65 HA ALA 65 -14.512 -8.568 -17.237 132 HB1 ALA 65 HB1 ALA 65 -15.868 -11.239 -17.770 133 HB2 ALA 65 HB2 ALA 65 -16.634 -9.640 -17.807 134 HB3 ALA 65 HB3 ALA 65 -15.390 -10.046 -19.006 135 H ASP 66 H ASP 66 -13.946 -11.415 -15.277 136 HA ASP 66 HA ASP 66 -15.461 -10.308 -12.986 137 HB2 ASP 66 HB2 ASP 66 -17.042 -11.604 -14.448 138 HB3 ASP 66 HB3 ASP 66 -16.022 -13.025 -14.241 139 H GLY 67 H GLY 67 -15.250 -11.775 -11.033 140 HA2 GLY 67 HA2 GLY 67 -14.111 -13.125 -9.551 141 HA3 GLY 67 HA3 GLY 67 -13.299 -13.846 -10.926 142 HA PRO 68 HA PRO 68 -10.082 -12.015 -8.212 143 HB2 PRO 68 HB2 PRO 68 -7.873 -13.279 -9.364 144 HB3 PRO 68 HB3 PRO 68 -8.965 -14.019 -8.149 145 HG2 PRO 68 HG2 PRO 68 -9.022 -14.288 -11.165 146 HG3 PRO 68 HG3 PRO 68 -9.159 -15.582 -9.930 147 HD2 PRO 68 HD2 PRO 68 -11.340 -14.566 -11.133 148 HD3 PRO 68 HD3 PRO 68 -11.379 -14.946 -9.382 149 H HIS 69 H HIS 69 -9.970 -12.006 -11.728 150 HA HIS 69 HA HIS 69 -7.908 -9.839 -11.789 151 HB2 HIS 69 HB2 HIS 69 -8.542 -12.101 -13.680 152 HB3 HIS 69 HB3 HIS 69 -7.399 -10.815 -14.024 153 HD2 HIS 69 HD2 HIS 69 -6.306 -13.587 -14.082 154 HE1 HIS 69 HE1 HIS 69 -4.447 -12.825 -10.337 155 HE2 HIS 69 HE2 HIS 69 -4.465 -14.371 -12.356 156 H ALA 70 H ALA 70 -11.055 -9.584 -11.794 157 HA ALA 70 HA ALA 70 -11.946 -8.763 -14.287 158 HB1 ALA 70 HB1 ALA 70 -12.676 -7.576 -11.583 159 HB2 ALA 70 HB2 ALA 70 -13.642 -7.473 -13.073 160 HB3 ALA 70 HB3 ALA 70 -13.365 -9.047 -12.303 161 H GLY 71 H GLY 71 -11.409 -7.243 -15.684 162 HA2 GLY 71 HA2 GLY 71 -10.893 -5.123 -16.520 163 HA3 GLY 71 HA3 GLY 71 -10.452 -4.560 -14.911 164 H LEU 72 H LEU 72 -8.683 -7.351 -15.089 165 HA LEU 72 HA LEU 72 -6.247 -5.978 -15.990 166 HB2 LEU 72 HB2 LEU 72 -6.612 -8.878 -15.169 167 HB3 LEU 72 HB3 LEU 72 -5.098 -8.022 -15.367 168 HG LEU 72 HG LEU 72 -7.117 -7.524 -13.157 169 HD11 LEU 72 HD11 LEU 72 -4.276 -8.606 -13.021 170 HD12 LEU 72 HD12 LEU 72 -5.495 -8.579 -11.734 171 HD13 LEU 72 HD13 LEU 72 -5.678 -9.665 -13.126 172 HD21 LEU 72 HD21 LEU 72 -5.985 -5.421 -13.714 173 HD22 LEU 72 HD22 LEU 72 -5.361 -6.066 -12.191 174 HD23 LEU 72 HD23 LEU 72 -4.403 -6.236 -13.678 175 HA PRO 73 HA PRO 73 -6.205 -7.738 -20.178 176 HB2 PRO 73 HB2 PRO 73 -3.489 -8.128 -20.530 177 HB3 PRO 73 HB3 PRO 73 -4.308 -6.551 -20.708 178 HG2 PRO 73 HG2 PRO 73 -2.803 -7.661 -18.324 179 HG3 PRO 73 HG3 PRO 73 -2.724 -6.005 -19.010 180 HD2 PRO 73 HD2 PRO 73 -4.197 -6.559 -16.817 181 HD3 PRO 73 HD3 PRO 73 -4.768 -5.387 -18.032 182 H VAL 74 H VAL 74 -6.176 -9.814 -21.127 183 HA VAL 74 HA VAL 74 -5.956 -11.984 -19.193 184 HB VAL 74 HB VAL 74 -6.646 -12.216 -22.133 185 HG11 VAL 74 HG11 VAL 74 -7.039 -14.078 -19.757 186 HG12 VAL 74 HG12 VAL 74 -7.716 -14.335 -21.379 187 HG13 VAL 74 HG13 VAL 74 -5.966 -14.365 -21.147 188 HG21 VAL 74 HG21 VAL 74 -8.268 -10.764 -20.970 189 HG22 VAL 74 HG22 VAL 74 -8.988 -12.331 -21.335 190 HG23 VAL 74 HG23 VAL 74 -8.444 -11.970 -19.681 191 H THR 75 H THR 75 -4.221 -11.403 -22.355 192 HA THR 75 HA THR 75 -2.150 -13.331 -21.454 193 HB THR 75 HB THR 75 -1.580 -13.588 -23.709 194 HG1 THR 75 HG1 THR 75 -2.847 -12.273 -25.294 195 HG21 THR 75 HG21 THR 75 -4.608 -13.393 -23.760 196 HG22 THR 75 HG22 THR 75 -3.564 -14.391 -24.791 197 HG23 THR 75 HG23 THR 75 -3.691 -14.744 -23.061 198 H ARG 76 H ARG 76 0.104 -12.936 -22.167 199 HA ARG 76 HA ARG 76 1.299 -10.469 -21.362 200 HB2 ARG 76 HB2 ARG 76 2.425 -12.667 -21.546 201 HB3 ARG 76 HB3 ARG 76 2.240 -12.631 -23.301 202 HG2 ARG 76 HG2 ARG 76 3.770 -10.668 -23.421 203 HG3 ARG 76 HG3 ARG 76 3.898 -10.665 -21.653 204 HD2 ARG 76 HD2 ARG 76 5.851 -11.799 -22.613 205 HD3 ARG 76 HD3 ARG 76 4.873 -12.928 -21.704 206 HE ARG 76 HE ARG 76 4.424 -14.132 -23.614 207 HH11 ARG 76 HH11 ARG 76 5.981 -11.155 -24.696 208 HH12 ARG 76 HH12 ARG 76 5.900 -11.651 -26.366 209 HH21 ARG 76 HH21 ARG 76 4.433 -14.695 -25.747 210 HH22 ARG 76 HH22 ARG 76 5.093 -13.614 -26.936 211 H SER 77 H SER 77 0.105 -11.482 -24.560 212 HA SER 77 HA SER 77 1.004 -9.124 -25.980 213 HB2 SER 77 HB2 SER 77 0.384 -11.293 -27.052 214 HB3 SER 77 HB3 SER 77 -1.317 -10.968 -26.656 215 HG SER 77 HG SER 77 -0.704 -10.274 -28.801 216 H ASP 78 H ASP 78 -2.167 -9.961 -24.403 217 HA ASP 78 HA ASP 78 -3.439 -7.472 -24.975 218 HB2 ASP 78 HB2 ASP 78 -3.761 -9.271 -22.546 219 HB3 ASP 78 HB3 ASP 78 -4.830 -7.944 -22.974 220 H ALA 79 H ALA 79 -1.339 -8.379 -22.207 221 HA ALA 79 HA ALA 79 -1.442 -5.877 -20.827 222 HB1 ALA 79 HB1 ALA 79 0.777 -7.934 -20.887 223 HB2 ALA 79 HB2 ALA 79 0.463 -6.703 -19.632 224 HB3 ALA 79 HB3 ALA 79 -0.687 -8.024 -19.888 225 H ARG 80 H ARG 80 0.900 -7.011 -23.302 226 HA ARG 80 HA ARG 80 2.445 -4.614 -23.503 227 HB2 ARG 80 HB2 ARG 80 2.881 -6.942 -24.505 228 HB3 ARG 80 HB3 ARG 80 1.721 -6.536 -25.767 229 HG2 ARG 80 HG2 ARG 80 3.156 -4.552 -26.385 230 HG3 ARG 80 HG3 ARG 80 4.326 -5.066 -25.151 231 HD2 ARG 80 HD2 ARG 80 4.473 -7.303 -26.341 232 HD3 ARG 80 HD3 ARG 80 3.417 -6.655 -27.591 233 HE ARG 80 HE ARG 80 5.128 -5.234 -28.374 234 HH11 ARG 80 HH11 ARG 80 6.385 -7.025 -25.587 235 HH12 ARG 80 HH12 ARG 80 8.028 -6.729 -26.103 236 HH21 ARG 80 HH21 ARG 80 7.246 -4.861 -28.825 237 HH22 ARG 80 HH22 ARG 80 8.489 -5.665 -27.861 238 H VAL 81 H VAL 81 -0.608 -5.510 -25.169 239 HA VAL 81 HA VAL 81 -0.595 -3.120 -26.836 240 HB VAL 81 HB VAL 81 -2.695 -5.244 -26.289 241 HG11 VAL 81 HG11 VAL 81 -2.800 -2.906 -28.253 242 HG12 VAL 81 HG12 VAL 81 -3.900 -4.300 -28.254 243 HG13 VAL 81 HG13 VAL 81 -3.907 -3.181 -26.893 244 HG21 VAL 81 HG21 VAL 81 -0.680 -5.910 -27.654 245 HG22 VAL 81 HG22 VAL 81 -2.178 -5.935 -28.587 246 HG23 VAL 81 HG23 VAL 81 -1.035 -4.587 -28.776 247 H LEU 82 H LEU 82 -2.199 -4.001 -23.730 248 HA LEU 82 HA LEU 82 -3.607 -1.585 -23.451 249 HB2 LEU 82 HB2 LEU 82 -2.982 -3.878 -21.793 250 HB3 LEU 82 HB3 LEU 82 -2.588 -2.451 -20.864 251 HG LEU 82 HG LEU 82 -5.259 -3.029 -22.194 252 HD11 LEU 82 HD11 LEU 82 -4.373 -2.992 -19.269 253 HD12 LEU 82 HD12 LEU 82 -6.050 -3.170 -19.818 254 HD13 LEU 82 HD13 LEU 82 -4.859 -4.415 -20.220 255 HD21 LEU 82 HD21 LEU 82 -4.887 -0.604 -22.124 256 HD22 LEU 82 HD22 LEU 82 -6.053 -1.047 -20.875 257 HD23 LEU 82 HD23 LEU 82 -4.362 -0.706 -20.431 258 H ILE 83 H ILE 83 -0.279 -2.370 -22.281 259 HA ILE 83 HA ILE 83 0.335 0.229 -21.279 260 HB ILE 83 HB ILE 83 2.138 -1.906 -22.493 261 HG12 ILE 83 HG12 ILE 83 1.874 -1.065 -19.573 262 HG13 ILE 83 HG13 ILE 83 0.851 -2.313 -20.273 263 HG21 ILE 83 HG21 ILE 83 2.849 0.775 -21.223 264 HG22 ILE 83 HG22 ILE 83 3.998 -0.555 -21.272 265 HG23 ILE 83 HG23 ILE 83 3.397 0.120 -22.783 266 HD11 ILE 83 HD11 ILE 83 3.886 -2.444 -20.074 267 HD12 ILE 83 HD12 ILE 83 2.699 -3.381 -19.156 268 HD13 ILE 83 HD13 ILE 83 2.858 -3.637 -20.904 269 H PHE 84 H PHE 84 0.865 -1.128 -24.579 270 HA PHE 84 HA PHE 84 2.037 1.186 -25.648 271 HB2 PHE 84 HB2 PHE 84 2.014 -1.091 -26.675 272 HB3 PHE 84 HB3 PHE 84 0.333 -0.862 -27.110 273 HD1 PHE 84 HD1 PHE 84 3.665 0.879 -27.428 274 HD2 PHE 84 HD2 PHE 84 -0.181 0.101 -29.206 275 HE1 PHE 84 HE1 PHE 84 4.419 1.991 -29.500 276 HE2 PHE 84 HE2 PHE 84 0.567 1.254 -31.291 277 HZ PHE 84 HZ PHE 84 2.868 2.173 -31.450 278 H ASN 85 H ASN 85 -1.470 0.243 -26.002 279 HA ASN 85 HA ASN 85 -2.024 2.691 -27.371 280 HB2 ASN 85 HB2 ASN 85 -3.279 0.548 -27.614 281 HB3 ASN 85 HB3 ASN 85 -3.989 0.812 -26.016 282 HD21 ASN 85 HD22 ASN 85 -3.439 2.730 -29.067 283 HD22 ASN 85 HD21 ASN 85 -5.086 3.367 -29.080 284 H ASP 86 H ASP 86 -2.303 1.879 -23.892 285 HA ASP 86 HA ASP 86 -3.484 4.412 -23.140 286 HB2 ASP 86 HB2 ASP 86 -3.320 2.577 -21.519 287 HB3 ASP 86 HB3 ASP 86 -1.554 2.648 -21.602 288 H TRP 87 H TRP 87 0.013 3.391 -23.476 289 HA TRP 87 HA TRP 87 1.077 5.982 -23.001 290 HB2 TRP 87 HB2 TRP 87 2.585 4.166 -22.988 291 HB3 TRP 87 HB3 TRP 87 2.090 3.623 -24.584 292 HD1 TRP 87 HD1 TRP 87 4.209 6.394 -22.946 293 HE1 TRP 87 HE1 TRP 87 5.884 7.258 -24.706 294 HE3 TRP 87 HE3 TRP 87 2.342 4.068 -27.135 295 HZ2 TRP 87 HZ2 TRP 87 6.461 6.829 -27.473 296 HZ3 TRP 87 HZ3 TRP 87 3.435 4.391 -29.333 297 HH2 TRP 87 HH2 TRP 87 5.515 5.740 -29.517 298 H GLU 88 H GLU 88 -0.056 4.591 -26.165 299 HA GLU 88 HA GLU 88 0.608 6.828 -27.772 300 HB2 GLU 88 HB2 GLU 88 -1.830 5.000 -27.943 301 HB3 GLU 88 HB3 GLU 88 -1.422 6.216 -29.139 302 HG2 GLU 88 HG2 GLU 88 0.691 5.082 -29.644 303 HG3 GLU 88 HG3 GLU 88 0.311 3.813 -28.485 304 H GLU 89 H GLU 89 -2.432 6.331 -25.838 305 HA GLU 89 HA GLU 89 -3.581 8.863 -26.515 306 HB2 GLU 89 HB2 GLU 89 -4.679 6.753 -25.519 307 HB3 GLU 89 HB3 GLU 89 -4.006 7.276 -23.966 308 HG2 GLU 89 HG2 GLU 89 -5.163 9.547 -24.523 309 HG3 GLU 89 HG3 GLU 89 -6.092 8.627 -25.710 310 H ARG 90 H ARG 90 -1.712 7.850 -23.603 311 HA ARG 90 HA ARG 90 -1.700 10.424 -22.305 312 HB2 ARG 90 HB2 ARG 90 0.367 8.206 -22.083 313 HB3 ARG 90 HB3 ARG 90 0.121 9.521 -20.942 314 HG2 ARG 90 HG2 ARG 90 -1.956 7.369 -21.420 315 HG3 ARG 90 HG3 ARG 90 -0.662 7.239 -20.251 316 HD2 ARG 90 HD2 ARG 90 -2.602 7.856 -19.072 317 HD3 ARG 90 HD3 ARG 90 -1.552 9.270 -19.103 318 HE ARG 90 HE ARG 90 -3.247 10.413 -20.140 319 HH11 ARG 90 HH11 ARG 90 -3.922 6.981 -20.852 320 HH12 ARG 90 HH12 ARG 90 -5.368 7.416 -21.733 321 HH21 ARG 90 HH21 ARG 90 -5.180 10.783 -21.151 322 HH22 ARG 90 HH22 ARG 90 -6.097 9.454 -21.820 323 H LYS 91 H LYS 91 0.454 9.035 -24.759 324 HA LYS 91 HA LYS 91 2.378 11.205 -24.729 325 HB2 LYS 91 HB2 LYS 91 2.879 8.898 -25.459 326 HB3 LYS 91 HB3 LYS 91 1.796 9.086 -26.831 327 HG2 LYS 91 HG2 LYS 91 3.798 11.241 -26.763 328 HG3 LYS 91 HG3 LYS 91 4.570 9.659 -26.642 329 HD2 LYS 91 HD2 LYS 91 3.424 8.877 -28.669 330 HD3 LYS 91 HD3 LYS 91 2.565 10.429 -28.807 331 HE2 LYS 91 HE2 LYS 91 4.759 11.610 -29.008 332 HE3 LYS 91 HE3 LYS 91 5.602 10.063 -28.878 333 HZ1 LYS 91 HZ1 LYS 91 3.723 10.799 -31.076 334 HZ2 LYS 91 HZ2 LYS 91 5.347 10.736 -31.204 335 HZ3 LYS 91 HZ3 LYS 91 4.502 9.363 -30.955 336 H ARG 92 H ARG 92 -0.597 10.558 -26.658 337 HA ARG 92 HA ARG 92 -0.421 12.882 -28.276 338 HB2 ARG 92 HB2 ARG 92 -2.103 10.762 -28.202 339 HB3 ARG 92 HB3 ARG 92 -3.118 11.914 -27.320 340 HG2 ARG 92 HG2 ARG 92 -2.793 13.526 -29.233 341 HG3 ARG 92 HG3 ARG 92 -1.821 12.280 -30.044 342 HD2 ARG 92 HD2 ARG 92 -3.795 10.751 -30.012 343 HD3 ARG 92 HD3 ARG 92 -4.777 12.034 -29.307 344 HE ARG 92 HE ARG 92 -3.830 11.775 -32.084 345 HH11 ARG 92 HH11 ARG 92 -5.250 14.064 -29.823 346 HH12 ARG 92 HH12 ARG 92 -5.801 15.108 -31.102 347 HH21 ARG 92 HH21 ARG 92 -4.565 13.152 -33.647 348 HH22 ARG 92 HH22 ARG 92 -5.424 14.598 -33.210 349 H SER 93 H SER 93 -1.784 12.500 -24.954 350 HA SER 93 HA SER 93 -2.424 15.365 -24.848 351 HB2 SER 93 HB2 SER 93 -3.084 14.965 -22.550 352 HB3 SER 93 HB3 SER 93 -3.850 13.839 -23.683 353 HG SER 93 HG SER 93 -2.974 12.900 -21.686 354 H GLU 94 H GLU 94 0.283 13.404 -23.603 355 HA GLU 94 HA GLU 94 1.738 15.894 -22.795 356 HB2 GLU 94 HB2 GLU 94 1.612 13.219 -21.366 357 HB3 GLU 94 HB3 GLU 94 2.696 14.550 -20.979 358 HG2 GLU 94 HG2 GLU 94 0.710 16.030 -20.615 359 HG3 GLU 94 HG3 GLU 94 -0.345 14.633 -20.848 360 HA PRO 95 HA PRO 95 3.912 13.873 -26.140 361 HB2 PRO 95 HB2 PRO 95 5.648 15.856 -26.934 362 HB3 PRO 95 HB3 PRO 95 3.882 15.889 -27.218 363 HG2 PRO 95 HG2 PRO 95 5.419 17.182 -24.936 364 HG3 PRO 95 HG3 PRO 95 4.215 17.945 -26.028 365 HD2 PRO 95 HD2 PRO 95 3.484 17.023 -23.598 366 HD3 PRO 95 HD3 PRO 95 2.417 16.763 -25.013 367 H TRP 96 H TRP 96 5.516 14.592 -23.219 368 HA TRP 96 HA TRP 96 8.201 13.691 -23.968 369 HB2 TRP 96 HB2 TRP 96 8.632 14.082 -21.551 370 HB3 TRP 96 HB3 TRP 96 7.979 15.464 -22.403 371 HD1 TRP 96 HD1 TRP 96 6.638 12.604 -20.149 372 HE1 TRP 96 HE1 TRP 96 4.736 13.531 -18.680 373 HE3 TRP 96 HE3 TRP 96 6.309 17.324 -22.125 374 HZ2 TRP 96 HZ2 TRP 96 3.256 16.000 -18.416 375 HZ3 TRP 96 HZ3 TRP 96 4.595 18.918 -21.290 376 HH2 TRP 96 HH2 TRP 96 3.071 18.271 -19.435 377 H LEU 97 H LEU 97 5.444 11.899 -23.462 378 HA LEU 97 HA LEU 97 6.037 10.246 -21.357 379 HB2 LEU 97 HB2 LEU 97 3.911 10.592 -22.979 380 HB3 LEU 97 HB3 LEU 97 4.488 9.116 -23.682 381 HG LEU 97 HG LEU 97 3.023 8.235 -22.192 382 HD11 LEU 97 HD11 LEU 97 5.188 8.706 -20.087 383 HD12 LEU 97 HD12 LEU 97 3.929 7.457 -20.091 384 HD13 LEU 97 HD13 LEU 97 5.215 7.390 -21.287 385 HD21 LEU 97 HD21 LEU 97 2.243 10.407 -21.422 386 HD22 LEU 97 HD22 LEU 97 2.336 9.213 -20.110 387 HD23 LEU 97 HD23 LEU 97 3.576 10.490 -20.250 388 H ARG 98 H ARG 98 7.576 8.747 -20.954 389 HA ARG 98 HA ARG 98 9.012 7.345 -23.098 390 HB2 ARG 98 HB2 ARG 98 10.361 8.114 -21.297 391 HB3 ARG 98 HB3 ARG 98 9.276 7.439 -20.077 392 HG2 ARG 98 HG2 ARG 98 9.923 5.170 -20.634 393 HG3 ARG 98 HG3 ARG 98 10.865 5.721 -22.027 394 HD2 ARG 98 HD2 ARG 98 12.247 5.085 -20.028 395 HD3 ARG 98 HD3 ARG 98 12.525 6.716 -20.631 396 HE ARG 98 HE ARG 98 11.808 7.591 -18.639 397 HH11 ARG 98 HH11 ARG 98 10.700 4.210 -18.612 398 HH12 ARG 98 HH12 ARG 98 10.237 4.342 -16.935 399 HH21 ARG 98 HH21 ARG 98 11.176 7.619 -16.540 400 HH22 ARG 98 HH22 ARG 98 10.493 6.197 -15.801 401 H LEU 99 H LEU 99 8.856 5.315 -23.746 402 HA LEU 99 HA LEU 99 6.754 3.563 -22.545 403 HB2 LEU 99 HB2 LEU 99 6.229 4.383 -24.711 404 HB3 LEU 99 HB3 LEU 99 7.746 3.868 -25.396 405 HG LEU 99 HG LEU 99 5.684 2.570 -26.008 406 HD11 LEU 99 HD11 LEU 99 7.755 0.793 -24.671 407 HD12 LEU 99 HD12 LEU 99 6.768 0.475 -26.093 408 HD13 LEU 99 HD13 LEU 99 8.045 1.678 -26.188 409 HD21 LEU 99 HD21 LEU 99 4.602 2.526 -23.793 410 HD22 LEU 99 HD22 LEU 99 4.725 0.952 -24.587 411 HD23 LEU 99 HD23 LEU 99 5.817 1.342 -23.243 412 H ASP 100 H ASP 100 7.493 1.876 -21.460 413 HA ASP 100 HA ASP 100 9.597 0.204 -22.670 414 HB2 ASP 100 HB2 ASP 100 10.124 -0.366 -20.096 415 HB3 ASP 100 HB3 ASP 100 11.065 0.723 -21.077 416 H MET 101 H MET 101 8.916 -1.759 -22.976 417 HA MET 101 HA MET 101 7.040 -3.114 -21.216 418 HB2 MET 101 HB2 MET 101 5.208 -3.421 -22.783 419 HB3 MET 101 HB3 MET 101 5.452 -1.729 -22.387 420 HG2 MET 101 HG2 MET 101 6.568 -1.323 -24.521 421 HG3 MET 101 HG3 MET 101 6.421 -3.034 -24.939 422 HE1 MET 101 HE1 MET 101 5.562 -2.388 -27.122 423 HE2 MET 101 HE2 MET 101 3.958 -1.729 -27.479 424 HE3 MET 101 HE3 MET 101 5.246 -0.637 -26.931 425 H SER 102 H SER 102 9.704 -3.645 -22.133 426 HA SER 102 HA SER 102 9.686 -6.058 -23.741 427 HB2 SER 102 HB2 SER 102 11.759 -4.904 -23.076 428 HB3 SER 102 HB3 SER 102 11.429 -5.287 -21.372 429 HG SER 102 HG SER 102 12.868 -6.810 -22.445 430 H ASP 103 H ASP 103 9.694 -8.273 -22.896 431 HA ASP 103 HA ASP 103 7.299 -8.765 -21.473 432 HB2 ASP 103 HB2 ASP 103 9.621 -10.657 -21.989 433 HB3 ASP 103 HB3 ASP 103 7.979 -11.133 -21.545 434 H LYS 104 H LYS 104 10.594 -8.551 -20.238 435 HA LYS 104 HA LYS 104 10.074 -9.509 -17.543 436 HB2 LYS 104 HB2 LYS 104 12.200 -7.716 -18.786 437 HB3 LYS 104 HB3 LYS 104 12.105 -7.956 -17.044 438 HG2 LYS 104 HG2 LYS 104 13.735 -9.447 -17.911 439 HG3 LYS 104 HG3 LYS 104 12.370 -10.380 -17.299 440 HD2 LYS 104 HD2 LYS 104 11.573 -10.807 -19.571 441 HD3 LYS 104 HD3 LYS 104 12.830 -9.772 -20.263 442 HE2 LYS 104 HE2 LYS 104 13.344 -12.303 -18.623 443 HE3 LYS 104 HE3 LYS 104 13.216 -12.280 -20.381 444 HZ1 LYS 104 HZ1 LYS 104 15.302 -10.836 -18.818 445 HZ2 LYS 104 HZ2 LYS 104 15.528 -12.167 -19.725 446 HZ3 LYS 104 HZ3 LYS 104 15.139 -10.762 -20.451 447 H ALA 105 H ALA 105 9.844 -6.236 -18.997 448 HA ALA 105 HA ALA 105 8.993 -4.956 -16.542 449 HB1 ALA 105 HB1 ALA 105 8.623 -4.086 -19.450 450 HB2 ALA 105 HB2 ALA 105 8.412 -3.068 -18.014 451 HB3 ALA 105 HB3 ALA 105 10.012 -3.704 -18.409 452 H ILE 106 H ILE 106 7.191 -6.520 -19.232 453 HA ILE 106 HA ILE 106 4.523 -5.979 -18.226 454 HB ILE 106 HB ILE 106 5.458 -8.355 -19.865 455 HG12 ILE 106 HG12 ILE 106 4.226 -5.684 -20.710 456 HG13 ILE 106 HG13 ILE 106 5.918 -6.114 -20.917 457 HG21 ILE 106 HG21 ILE 106 2.662 -7.191 -19.387 458 HG22 ILE 106 HG22 ILE 106 3.047 -8.530 -20.482 459 HG23 ILE 106 HG23 ILE 106 3.257 -8.749 -18.756 460 HD11 ILE 106 HD11 ILE 106 3.563 -7.410 -22.317 461 HD12 ILE 106 HD12 ILE 106 4.842 -6.409 -23.016 462 HD13 ILE 106 HD13 ILE 106 5.234 -8.023 -22.392 463 H PHE 107 H PHE 107 6.591 -8.923 -17.631 464 HA PHE 107 HA PHE 107 4.744 -9.965 -15.708 465 HB2 PHE 107 HB2 PHE 107 7.716 -10.470 -16.092 466 HB3 PHE 107 HB3 PHE 107 6.678 -11.417 -15.039 467 HD1 PHE 107 HD1 PHE 107 4.249 -11.961 -16.525 468 HD2 PHE 107 HD2 PHE 107 8.326 -11.815 -17.924 469 HE1 PHE 107 HE1 PHE 107 3.699 -13.589 -18.317 470 HE2 PHE 107 HE2 PHE 107 7.766 -13.435 -19.718 471 HZ PHE 107 HZ PHE 107 5.456 -14.342 -19.900 472 H ARG 108 H ARG 108 7.487 -7.725 -15.216 473 HA ARG 108 HA ARG 108 7.335 -7.857 -12.313 474 HB2 ARG 108 HB2 ARG 108 8.674 -5.939 -14.253 475 HB3 ARG 108 HB3 ARG 108 8.753 -5.725 -12.502 476 HG2 ARG 108 HG2 ARG 108 9.790 -7.904 -12.186 477 HG3 ARG 108 HG3 ARG 108 9.618 -8.297 -13.900 478 HD2 ARG 108 HD2 ARG 108 11.110 -6.370 -14.465 479 HD3 ARG 108 HD3 ARG 108 11.311 -6.063 -12.724 480 HE ARG 108 HE ARG 108 11.936 -8.809 -13.430 481 HH11 ARG 108 HH11 ARG 108 13.386 -5.615 -13.396 482 HH12 ARG 108 HH12 ARG 108 15.004 -6.253 -13.303 483 HH21 ARG 108 HH21 ARG 108 14.020 -9.553 -13.316 484 HH22 ARG 108 HH22 ARG 108 15.349 -8.435 -13.280 485 H ARG 109 H ARG 109 5.778 -5.689 -14.677 486 HA ARG 109 HA ARG 109 4.512 -4.092 -12.525 487 HB2 ARG 109 HB2 ARG 109 4.243 -4.073 -15.560 488 HB3 ARG 109 HB3 ARG 109 3.359 -2.986 -14.478 489 HG2 ARG 109 HG2 ARG 109 5.433 -2.063 -13.580 490 HG3 ARG 109 HG3 ARG 109 6.407 -3.186 -14.541 491 HD2 ARG 109 HD2 ARG 109 5.593 -2.191 -16.616 492 HD3 ARG 109 HD3 ARG 109 4.556 -1.070 -15.702 493 HE ARG 109 HE ARG 109 6.939 -0.510 -14.586 494 HH11 ARG 109 HH11 ARG 109 6.153 -0.670 -18.040 495 HH12 ARG 109 HH12 ARG 109 7.488 0.414 -18.408 496 HH21 ARG 109 HH21 ARG 109 8.574 0.901 -15.278 497 HH22 ARG 109 HH22 ARG 109 8.675 1.229 -17.017 498 H TYR 110 H TYR 110 3.553 -6.737 -14.640 499 HA TYR 110 HA TYR 110 0.992 -7.040 -13.124 500 HB2 TYR 110 HB2 TYR 110 1.486 -7.306 -16.108 501 HB3 TYR 110 HB3 TYR 110 0.070 -7.892 -15.260 502 HD1 TYR 110 HD2 TYR 110 -1.567 -6.379 -14.222 503 HD2 TYR 110 HD1 TYR 110 1.696 -4.943 -16.655 504 HE1 TYR 110 HE2 TYR 110 -2.816 -4.265 -14.647 505 HE2 TYR 110 HE1 TYR 110 0.465 -2.812 -17.048 506 HH TYR 110 HH TYR 110 -1.462 -1.609 -16.647 507 HA PRO 111 HA PRO 111 3.550 -10.860 -12.771 508 HB2 PRO 111 HB2 PRO 111 2.791 -11.665 -10.267 509 HB3 PRO 111 HB3 PRO 111 3.979 -10.359 -10.562 510 HG2 PRO 111 HG2 PRO 111 1.008 -10.078 -10.000 511 HG3 PRO 111 HG3 PRO 111 2.368 -9.223 -9.203 512 HD2 PRO 111 HD2 PRO 111 0.964 -8.088 -11.230 513 HD3 PRO 111 HD3 PRO 111 2.734 -7.852 -11.101 514 H HIS 112 H HIS 112 0.095 -10.452 -12.768 515 HA HIS 112 HA HIS 112 -0.638 -13.223 -12.500 516 HB2 HIS 112 HB2 HIS 112 -2.808 -12.512 -12.918 517 HB3 HIS 112 HB3 HIS 112 -2.068 -11.201 -12.009 518 HD2 HIS 112 HD2 HIS 112 -3.832 -12.007 -15.230 519 HE1 HIS 112 HE1 HIS 112 -2.343 -8.061 -15.813 520 HE2 HIS 112 HE2 HIS 112 -3.847 -9.892 -16.780 521 H LEU 113 H LEU 113 0.764 -11.586 -15.221 522 HA LEU 113 HA LEU 113 -0.536 -13.159 -17.286 523 HB2 LEU 113 HB2 LEU 113 2.055 -11.545 -17.335 524 HB3 LEU 113 HB3 LEU 113 1.403 -12.396 -18.715 525 HG LEU 113 HG LEU 113 0.801 -10.188 -19.096 526 HD11 LEU 113 HD11 LEU 113 -1.698 -11.243 -17.715 527 HD12 LEU 113 HD12 LEU 113 -1.609 -10.138 -19.094 528 HD13 LEU 113 HD13 LEU 113 -1.146 -11.842 -19.281 529 HD21 LEU 113 HD21 LEU 113 1.326 -9.260 -17.031 530 HD22 LEU 113 HD22 LEU 113 -0.276 -8.707 -17.559 531 HD23 LEU 113 HD23 LEU 113 -0.139 -9.935 -16.275 532 H ARG 114 H ARG 114 2.026 -13.988 -15.055 533 HA ARG 114 HA ARG 114 2.998 -16.224 -16.696 534 HB2 ARG 114 HB2 ARG 114 4.666 -14.877 -15.604 535 HB3 ARG 114 HB3 ARG 114 3.833 -14.992 -14.039 536 HG2 ARG 114 HG2 ARG 114 4.247 -17.336 -13.891 537 HG3 ARG 114 HG3 ARG 114 4.866 -17.401 -15.557 538 HD2 ARG 114 HD2 ARG 114 6.779 -15.978 -14.903 539 HD3 ARG 114 HD3 ARG 114 6.175 -15.911 -13.238 540 HE ARG 114 HE ARG 114 6.385 -18.465 -13.273 541 HH11 ARG 114 HH11 ARG 114 8.654 -16.466 -15.055 542 HH12 ARG 114 HH12 ARG 114 9.893 -17.691 -15.011 543 HH21 ARG 114 HH21 ARG 114 7.997 -19.969 -13.270 544 HH22 ARG 114 HH22 ARG 114 9.527 -19.616 -14.019 Start of MODEL 19 1 H1 MET 1 H1 MET 1 19.129 3.370 -8.557 2 H2 MET 1 H2 MET 1 19.198 2.987 -6.974 3 H3 MET 1 H3 MET 1 19.209 1.800 -8.096 4 HA MET 1 HA MET 1 21.309 3.840 -7.685 5 HB2 MET 1 HB2 MET 1 21.262 2.133 -5.887 6 HB3 MET 1 HB3 MET 1 21.518 0.860 -7.079 7 HG2 MET 1 HG2 MET 1 23.705 1.906 -7.692 8 HG3 MET 1 HG3 MET 1 23.389 3.206 -6.545 9 HE1 MET 1 HE1 MET 1 24.502 -0.517 -7.063 10 HE2 MET 1 HE2 MET 1 24.495 -1.162 -5.409 11 HE3 MET 1 HE3 MET 1 22.959 -0.801 -6.218 12 H ARG 2 H ARG 2 21.180 0.572 -9.296 13 HA ARG 2 HA ARG 2 22.666 1.753 -11.616 14 HB2 ARG 2 HB2 ARG 2 22.309 -1.129 -10.695 15 HB3 ARG 2 HB3 ARG 2 23.158 -0.629 -12.163 16 HG2 ARG 2 HG2 ARG 2 24.803 0.635 -10.838 17 HG3 ARG 2 HG3 ARG 2 23.953 0.210 -9.341 18 HD2 ARG 2 HD2 ARG 2 24.356 -2.187 -9.779 19 HD3 ARG 2 HD3 ARG 2 25.249 -1.766 -11.257 20 HE ARG 2 HE ARG 2 26.493 -0.299 -9.244 21 HH11 ARG 2 HH11 ARG 2 26.015 -3.726 -9.815 22 HH12 ARG 2 HH12 ARG 2 27.442 -4.169 -8.920 23 HH21 ARG 2 HH21 ARG 2 28.295 -0.934 -8.106 24 HH22 ARG 2 HH22 ARG 2 28.702 -2.620 -7.986 25 H GLY 3 H GLY 3 21.931 1.624 -13.672 26 HA2 GLY 3 HA2 GLY 3 20.450 1.487 -15.438 27 HA3 GLY 3 HA3 GLY 3 19.679 0.134 -14.620 28 H SER 4 H SER 4 17.796 1.131 -15.718 29 HA SER 4 HA SER 4 16.367 2.996 -13.867 30 HB2 SER 4 HB2 SER 4 16.331 3.226 -16.897 31 HB3 SER 4 HB3 SER 4 15.279 4.109 -15.775 32 HG SER 4 HG SER 4 17.136 5.336 -16.410 33 H HIS 5 H HIS 5 15.579 1.167 -16.879 34 HA HIS 5 HA HIS 5 13.969 -0.779 -15.449 35 HB2 HIS 5 HB2 HIS 5 12.478 1.328 -15.760 36 HB3 HIS 5 HB3 HIS 5 12.502 0.946 -17.478 37 HD2 HIS 5 HD2 HIS 5 9.728 0.831 -16.796 38 HE1 HIS 5 HE1 HIS 5 9.949 -3.130 -15.228 39 HE2 HIS 5 HE2 HIS 5 8.369 -1.295 -16.020 40 H HIS 6 H HIS 6 12.902 -2.292 -17.113 41 HA HIS 6 HA HIS 6 14.867 -2.902 -19.264 42 HB2 HIS 6 HB2 HIS 6 14.148 -4.588 -17.484 43 HB3 HIS 6 HB3 HIS 6 12.582 -4.642 -18.294 44 HD2 HIS 6 HD2 HIS 6 15.931 -6.242 -18.320 45 HE1 HIS 6 HE1 HIS 6 14.350 -7.131 -22.180 46 HE2 HIS 6 HE2 HIS 6 16.197 -7.681 -20.512 47 H HIS 7 H HIS 7 14.337 -3.040 -21.425 48 HA HIS 7 HA HIS 7 11.593 -2.774 -22.357 49 HB2 HIS 7 HB2 HIS 7 11.859 -0.747 -23.620 50 HB3 HIS 7 HB3 HIS 7 12.257 -0.398 -21.949 51 HD2 HIS 7 HD2 HIS 7 13.623 -0.168 -25.443 52 HE1 HIS 7 HE1 HIS 7 16.928 0.808 -22.927 53 HE2 HIS 7 HE2 HIS 7 16.074 0.793 -25.327 54 H HIS 8 H HIS 8 11.332 -3.173 -24.624 55 HA HIS 8 HA HIS 8 13.610 -3.730 -26.325 56 HB2 HIS 8 HB2 HIS 8 13.496 -5.845 -24.951 57 HB3 HIS 8 HB3 HIS 8 11.882 -6.134 -25.592 58 HD2 HIS 8 HD2 HIS 8 15.589 -5.886 -26.716 59 HE1 HIS 8 HE1 HIS 8 13.507 -7.948 -29.819 60 HE2 HIS 8 HE2 HIS 8 15.798 -7.194 -28.998 61 H HIS 9 H HIS 9 10.106 -4.575 -26.005 62 HA HIS 9 HA HIS 9 9.694 -4.425 -28.852 63 HB2 HIS 9 HB2 HIS 9 7.635 -4.563 -26.619 64 HB3 HIS 9 HB3 HIS 9 7.369 -4.944 -28.318 65 HD2 HIS 9 HD2 HIS 9 9.724 -6.905 -28.989 66 HE1 HIS 9 HE1 HIS 9 8.522 -9.198 -25.603 67 HE2 HIS 9 HE2 HIS 9 9.866 -9.229 -27.768 68 H HIS 10 H HIS 10 8.694 -2.935 -30.131 69 HA HIS 10 HA HIS 10 8.493 -0.182 -29.035 70 HB2 HIS 10 HB2 HIS 10 8.718 -1.204 -31.884 71 HB3 HIS 10 HB3 HIS 10 8.700 0.489 -31.397 72 HD2 HIS 10 HD2 HIS 10 11.081 -2.280 -32.051 73 HE1 HIS 10 HE1 HIS 10 13.323 0.484 -29.698 74 HE2 HIS 10 HE2 HIS 10 13.468 -1.585 -31.175 75 H GLY 11 H GLY 11 6.316 -2.601 -30.306 76 HA2 GLY 11 HA2 GLY 11 3.979 -2.563 -30.268 77 HA3 GLY 11 HA3 GLY 11 3.999 -0.855 -29.850 78 H SER 12 H SER 12 2.106 -1.317 -31.423 79 HA SER 12 HA SER 12 2.756 -0.095 -33.999 80 HB2 SER 12 HB2 SER 12 3.191 -2.484 -34.486 81 HB3 SER 12 HB3 SER 12 1.545 -2.892 -33.972 82 HG SER 12 HG SER 12 1.749 -2.616 -36.273 83 H GLY 58 H GLY 58 0.128 -1.906 -32.299 84 HA2 GLY 58 HA2 GLY 58 -1.625 -0.266 -31.356 85 HA3 GLY 58 HA3 GLY 58 -1.847 0.230 -33.028 86 H ALA 59 H ALA 59 -3.185 -1.613 -30.704 87 HA ALA 59 HA ALA 59 -4.818 -3.232 -32.503 88 HB1 ALA 59 HB1 ALA 59 -2.907 -4.560 -30.512 89 HB2 ALA 59 HB2 ALA 59 -4.160 -5.401 -31.451 90 HB3 ALA 59 HB3 ALA 59 -2.792 -4.652 -32.279 91 H LEU 60 H LEU 60 -6.296 -4.709 -31.061 92 HA LEU 60 HA LEU 60 -7.303 -3.202 -28.703 93 HB2 LEU 60 HB2 LEU 60 -8.908 -3.824 -30.449 94 HB3 LEU 60 HB3 LEU 60 -8.428 -5.512 -30.328 95 HG LEU 60 HG LEU 60 -9.316 -5.598 -27.993 96 HD11 LEU 60 HD11 LEU 60 -10.348 -2.791 -28.621 97 HD12 LEU 60 HD12 LEU 60 -10.832 -3.787 -27.231 98 HD13 LEU 60 HD13 LEU 60 -9.171 -3.211 -27.356 99 HD21 LEU 60 HD21 LEU 60 -10.697 -6.288 -29.912 100 HD22 LEU 60 HD22 LEU 60 -11.686 -5.567 -28.634 101 HD23 LEU 60 HD23 LEU 60 -11.298 -4.624 -30.091 102 H ALA 61 H ALA 61 -6.977 -3.923 -26.636 103 HA ALA 61 HA ALA 61 -5.739 -6.594 -26.163 104 HB1 ALA 61 HB1 ALA 61 -6.158 -4.212 -24.309 105 HB2 ALA 61 HB2 ALA 61 -5.378 -5.745 -23.871 106 HB3 ALA 61 HB3 ALA 61 -4.630 -4.695 -25.083 107 H ALA 62 H ALA 62 -6.838 -8.248 -25.232 108 HA ALA 62 HA ALA 62 -9.674 -7.884 -24.451 109 HB1 ALA 62 HB1 ALA 62 -7.970 -10.393 -24.658 110 HB2 ALA 62 HB2 ALA 62 -9.710 -10.326 -24.314 111 HB3 ALA 62 HB3 ALA 62 -9.099 -9.786 -25.889 112 H LEU 63 H LEU 63 -10.438 -8.119 -22.395 113 HA LEU 63 HA LEU 63 -8.457 -8.290 -20.159 114 HB2 LEU 63 HB2 LEU 63 -10.990 -6.631 -20.155 115 HB3 LEU 63 HB3 LEU 63 -9.720 -6.654 -18.940 116 HG LEU 63 HG LEU 63 -9.508 -5.495 -21.753 117 HD11 LEU 63 HD11 LEU 63 -9.550 -4.153 -19.023 118 HD12 LEU 63 HD12 LEU 63 -9.402 -3.343 -20.598 119 HD13 LEU 63 HD13 LEU 63 -10.898 -4.192 -20.182 120 HD21 LEU 63 HD21 LEU 63 -7.294 -6.276 -21.101 121 HD22 LEU 63 HD22 LEU 63 -7.364 -4.524 -21.007 122 HD23 LEU 63 HD23 LEU 63 -7.449 -5.484 -19.508 123 H HIS 64 H HIS 64 -9.187 -9.241 -18.207 124 HA HIS 64 HA HIS 64 -11.272 -11.301 -18.386 125 HB2 HIS 64 HB2 HIS 64 -9.662 -10.163 -16.095 126 HB3 HIS 64 HB3 HIS 64 -10.835 -11.448 -15.883 127 HD2 HIS 64 HD2 HIS 64 -7.242 -10.929 -16.459 128 HE1 HIS 64 HE1 HIS 64 -7.930 -14.996 -17.542 129 HE2 HIS 64 HE2 HIS 64 -6.141 -13.274 -16.986 130 H ALA 65 H ALA 65 -13.416 -11.131 -17.762 131 HA ALA 65 HA ALA 65 -14.427 -8.423 -17.191 132 HB1 ALA 65 HB1 ALA 65 -15.872 -11.026 -17.809 133 HB2 ALA 65 HB2 ALA 65 -16.591 -9.405 -17.760 134 HB3 ALA 65 HB3 ALA 65 -15.381 -9.794 -19.000 135 H ASP 66 H ASP 66 -13.989 -11.399 -15.377 136 HA ASP 66 HA ASP 66 -15.422 -10.316 -12.999 137 HB2 ASP 66 HB2 ASP 66 -16.029 -12.907 -14.481 138 HB3 ASP 66 HB3 ASP 66 -16.517 -12.629 -12.819 139 H GLY 67 H GLY 67 -15.178 -11.799 -11.079 140 HA2 GLY 67 HA2 GLY 67 -14.044 -13.216 -9.657 141 HA3 GLY 67 HA3 GLY 67 -13.225 -13.876 -11.058 142 HA PRO 68 HA PRO 68 -10.034 -12.082 -8.261 143 HB2 PRO 68 HB2 PRO 68 -7.825 -13.358 -9.410 144 HB3 PRO 68 HB3 PRO 68 -8.915 -14.084 -8.184 145 HG2 PRO 68 HG2 PRO 68 -8.977 -14.385 -11.196 146 HG3 PRO 68 HG3 PRO 68 -9.125 -15.663 -9.946 147 HD2 PRO 68 HD2 PRO 68 -11.295 -14.650 -11.164 148 HD3 PRO 68 HD3 PRO 68 -11.340 -15.005 -9.409 149 H HIS 69 H HIS 69 -9.916 -12.087 -11.773 150 HA HIS 69 HA HIS 69 -7.838 -9.941 -11.843 151 HB2 HIS 69 HB2 HIS 69 -8.500 -12.201 -13.726 152 HB3 HIS 69 HB3 HIS 69 -7.352 -10.925 -14.080 153 HD2 HIS 69 HD2 HIS 69 -6.278 -13.707 -14.132 154 HE1 HIS 69 HE1 HIS 69 -4.347 -12.903 -10.431 155 HE2 HIS 69 HE2 HIS 69 -4.400 -14.466 -12.434 156 H ALA 70 H ALA 70 -10.984 -9.637 -11.827 157 HA ALA 70 HA ALA 70 -11.868 -8.766 -14.310 158 HB1 ALA 70 HB1 ALA 70 -12.555 -7.603 -11.585 159 HB2 ALA 70 HB2 ALA 70 -13.523 -7.448 -13.068 160 HB3 ALA 70 HB3 ALA 70 -13.286 -9.044 -12.329 161 H GLY 71 H GLY 71 -11.323 -7.221 -15.684 162 HA2 GLY 71 HA2 GLY 71 -10.744 -5.106 -16.485 163 HA3 GLY 71 HA3 GLY 71 -10.284 -4.586 -14.866 164 H LEU 72 H LEU 72 -8.598 -7.425 -15.114 165 HA LEU 72 HA LEU 72 -6.125 -6.099 -15.982 166 HB2 LEU 72 HB2 LEU 72 -6.584 -8.991 -15.178 167 HB3 LEU 72 HB3 LEU 72 -5.040 -8.199 -15.381 168 HG LEU 72 HG LEU 72 -7.037 -7.634 -13.166 169 HD11 LEU 72 HD11 LEU 72 -4.213 -8.746 -13.005 170 HD12 LEU 72 HD12 LEU 72 -5.461 -8.731 -11.747 171 HD13 LEU 72 HD13 LEU 72 -5.615 -9.798 -13.157 172 HD21 LEU 72 HD21 LEU 72 -5.876 -5.550 -13.719 173 HD22 LEU 72 HD22 LEU 72 -5.248 -6.210 -12.205 174 HD23 LEU 72 HD23 LEU 72 -4.306 -6.389 -13.702 175 HA PRO 73 HA PRO 73 -6.092 -7.799 -20.183 176 HB2 PRO 73 HB2 PRO 73 -3.390 -8.246 -20.536 177 HB3 PRO 73 HB3 PRO 73 -4.162 -6.639 -20.667 178 HG2 PRO 73 HG2 PRO 73 -2.711 -7.872 -18.305 179 HG3 PRO 73 HG3 PRO 73 -2.563 -6.201 -18.941 180 HD2 PRO 73 HD2 PRO 73 -4.076 -6.750 -16.783 181 HD3 PRO 73 HD3 PRO 73 -4.599 -5.536 -17.976 182 H VAL 74 H VAL 74 -6.102 -9.841 -21.183 183 HA VAL 74 HA VAL 74 -5.907 -12.075 -19.307 184 HB VAL 74 HB VAL 74 -6.664 -12.232 -22.236 185 HG11 VAL 74 HG11 VAL 74 -7.106 -14.091 -19.868 186 HG12 VAL 74 HG12 VAL 74 -7.797 -14.315 -21.488 187 HG13 VAL 74 HG13 VAL 74 -6.049 -14.406 -21.261 188 HG21 VAL 74 HG21 VAL 74 -8.215 -10.721 -21.064 189 HG22 VAL 74 HG22 VAL 74 -9.000 -12.260 -21.404 190 HG23 VAL 74 HG23 VAL 74 -8.418 -11.909 -19.762 191 H THR 75 H THR 75 -4.279 -11.476 -22.523 192 HA THR 75 HA THR 75 -2.216 -13.455 -21.743 193 HB THR 75 HB THR 75 -1.653 -13.588 -24.006 194 HG1 THR 75 HG1 THR 75 -2.807 -12.193 -25.544 195 HG21 THR 75 HG21 THR 75 -4.677 -13.344 -24.034 196 HG22 THR 75 HG22 THR 75 -3.656 -14.291 -25.130 197 HG23 THR 75 HG23 THR 75 -3.776 -14.749 -23.423 198 H ARG 76 H ARG 76 0.036 -13.032 -22.546 199 HA ARG 76 HA ARG 76 1.203 -10.630 -21.426 200 HB2 ARG 76 HB2 ARG 76 2.277 -12.750 -23.351 201 HB3 ARG 76 HB3 ARG 76 3.283 -11.485 -22.630 202 HG2 ARG 76 HG2 ARG 76 3.012 -12.313 -20.435 203 HG3 ARG 76 HG3 ARG 76 1.609 -13.300 -20.865 204 HD2 ARG 76 HD2 ARG 76 3.174 -14.688 -22.323 205 HD3 ARG 76 HD3 ARG 76 4.515 -13.849 -21.506 206 HE ARG 76 HE ARG 76 2.688 -14.839 -19.522 207 HH11 ARG 76 HH11 ARG 76 4.918 -16.283 -21.817 208 HH12 ARG 76 HH12 ARG 76 5.078 -17.726 -20.853 209 HH21 ARG 76 HH21 ARG 76 2.933 -16.607 -18.376 210 HH22 ARG 76 HH22 ARG 76 3.959 -17.910 -18.917 211 H SER 77 H SER 77 0.280 -11.470 -24.763 212 HA SER 77 HA SER 77 1.120 -8.943 -25.894 213 HB2 SER 77 HB2 SER 77 -0.806 -11.078 -26.843 214 HB3 SER 77 HB3 SER 77 -0.447 -9.603 -27.770 215 HG SER 77 HG SER 77 0.938 -11.591 -28.127 216 H ASP 78 H ASP 78 -2.060 -9.986 -24.457 217 HA ASP 78 HA ASP 78 -3.376 -7.496 -25.004 218 HB2 ASP 78 HB2 ASP 78 -3.709 -9.366 -22.630 219 HB3 ASP 78 HB3 ASP 78 -4.753 -8.003 -22.994 220 H ALA 79 H ALA 79 -1.299 -8.452 -22.226 221 HA ALA 79 HA ALA 79 -1.432 -5.960 -20.827 222 HB1 ALA 79 HB1 ALA 79 0.784 -8.010 -20.869 223 HB2 ALA 79 HB2 ALA 79 0.443 -6.791 -19.604 224 HB3 ALA 79 HB3 ALA 79 -0.692 -8.121 -19.896 225 H ARG 80 H ARG 80 0.945 -7.079 -23.253 226 HA ARG 80 HA ARG 80 2.509 -4.708 -23.467 227 HB2 ARG 80 HB2 ARG 80 2.914 -7.032 -24.427 228 HB3 ARG 80 HB3 ARG 80 1.737 -6.672 -25.677 229 HG2 ARG 80 HG2 ARG 80 3.126 -4.964 -26.638 230 HG3 ARG 80 HG3 ARG 80 4.202 -4.948 -25.232 231 HD2 ARG 80 HD2 ARG 80 5.194 -6.170 -27.183 232 HD3 ARG 80 HD3 ARG 80 5.068 -7.123 -25.719 233 HE ARG 80 HE ARG 80 3.601 -8.577 -26.725 234 HH11 ARG 80 HH11 ARG 80 3.943 -5.872 -28.935 235 HH12 ARG 80 HH12 ARG 80 3.036 -6.672 -30.185 236 HH21 ARG 80 HH21 ARG 80 2.350 -9.495 -28.331 237 HH22 ARG 80 HH22 ARG 80 2.211 -8.681 -29.860 238 H VAL 81 H VAL 81 -0.546 -5.555 -25.140 239 HA VAL 81 HA VAL 81 -0.535 -3.139 -26.777 240 HB VAL 81 HB VAL 81 -2.597 -5.306 -26.263 241 HG11 VAL 81 HG11 VAL 81 -2.785 -2.950 -28.193 242 HG12 VAL 81 HG12 VAL 81 -3.856 -4.370 -28.175 243 HG13 VAL 81 HG13 VAL 81 -3.858 -3.251 -26.813 244 HG21 VAL 81 HG21 VAL 81 -0.554 -5.864 -27.661 245 HG22 VAL 81 HG22 VAL 81 -2.068 -5.953 -28.563 246 HG23 VAL 81 HG23 VAL 81 -0.991 -4.550 -28.759 247 H LEU 82 H LEU 82 -2.130 -4.073 -23.676 248 HA LEU 82 HA LEU 82 -3.556 -1.692 -23.341 249 HB2 LEU 82 HB2 LEU 82 -2.915 -4.005 -21.755 250 HB3 LEU 82 HB3 LEU 82 -2.410 -2.629 -20.802 251 HG LEU 82 HG LEU 82 -5.155 -3.074 -22.017 252 HD11 LEU 82 HD11 LEU 82 -4.137 -3.146 -19.137 253 HD12 LEU 82 HD12 LEU 82 -5.845 -3.253 -19.608 254 HD13 LEU 82 HD13 LEU 82 -4.716 -4.523 -20.104 255 HD21 LEU 82 HD21 LEU 82 -4.702 -0.662 -21.905 256 HD22 LEU 82 HD22 LEU 82 -5.826 -1.097 -20.616 257 HD23 LEU 82 HD23 LEU 82 -4.106 -0.824 -20.241 258 H ILE 83 H ILE 83 -0.193 -2.430 -22.221 259 HA ILE 83 HA ILE 83 0.390 0.173 -21.215 260 HB ILE 83 HB ILE 83 2.247 -1.879 -22.485 261 HG12 ILE 83 HG12 ILE 83 1.966 -1.146 -19.538 262 HG13 ILE 83 HG13 ILE 83 0.985 -2.408 -20.275 263 HG21 ILE 83 HG21 ILE 83 2.825 0.803 -21.150 264 HG22 ILE 83 HG22 ILE 83 4.039 -0.466 -21.191 265 HG23 ILE 83 HG23 ILE 83 3.428 0.194 -22.710 266 HD11 ILE 83 HD11 ILE 83 4.023 -2.427 -20.094 267 HD12 ILE 83 HD12 ILE 83 2.875 -3.453 -19.217 268 HD13 ILE 83 HD13 ILE 83 3.043 -3.623 -20.974 269 H PHE 84 H PHE 84 0.878 -1.151 -24.542 270 HA PHE 84 HA PHE 84 1.974 1.189 -25.618 271 HB2 PHE 84 HB2 PHE 84 1.932 -1.062 -26.712 272 HB3 PHE 84 HB3 PHE 84 0.231 -0.832 -27.076 273 HD1 PHE 84 HD1 PHE 84 3.524 0.971 -27.420 274 HD2 PHE 84 HD2 PHE 84 -0.352 0.194 -29.132 275 HE1 PHE 84 HE1 PHE 84 4.177 2.244 -29.426 276 HE2 PHE 84 HE2 PHE 84 0.297 1.499 -31.156 277 HZ PHE 84 HZ PHE 84 2.564 2.501 -31.320 278 H ASN 85 H ASN 85 -1.540 0.238 -25.897 279 HA ASN 85 HA ASN 85 -2.137 2.720 -27.191 280 HB2 ASN 85 HB2 ASN 85 -3.391 0.580 -27.459 281 HB3 ASN 85 HB3 ASN 85 -4.053 0.789 -25.833 282 HD21 ASN 85 HD22 ASN 85 -3.617 2.782 -28.852 283 HD22 ASN 85 HD21 ASN 85 -5.262 3.417 -28.790 284 H ASP 86 H ASP 86 -2.329 1.810 -23.743 285 HA ASP 86 HA ASP 86 -3.560 4.245 -22.818 286 HB2 ASP 86 HB2 ASP 86 -3.223 2.252 -21.390 287 HB3 ASP 86 HB3 ASP 86 -1.472 2.498 -21.459 288 H TRP 87 H TRP 87 -0.067 3.377 -23.332 289 HA TRP 87 HA TRP 87 0.961 5.983 -22.815 290 HB2 TRP 87 HB2 TRP 87 2.473 4.161 -22.820 291 HB3 TRP 87 HB3 TRP 87 1.984 3.644 -24.423 292 HD1 TRP 87 HD1 TRP 87 4.115 6.377 -22.744 293 HE1 TRP 87 HE1 TRP 87 5.825 7.218 -24.491 294 HE3 TRP 87 HE3 TRP 87 2.208 4.158 -26.972 295 HZ2 TRP 87 HZ2 TRP 87 6.344 6.902 -27.278 296 HZ3 TRP 87 HZ3 TRP 87 3.266 4.561 -29.173 297 HH2 TRP 87 HH2 TRP 87 5.353 5.897 -29.344 298 H GLU 88 H GLU 88 -0.206 4.601 -25.971 299 HA GLU 88 HA GLU 88 0.441 6.852 -27.582 300 HB2 GLU 88 HB2 GLU 88 -2.004 5.026 -27.727 301 HB3 GLU 88 HB3 GLU 88 -1.619 6.259 -28.913 302 HG2 GLU 88 HG2 GLU 88 0.486 5.127 -29.475 303 HG3 GLU 88 HG3 GLU 88 0.109 3.835 -28.337 304 H GLU 89 H GLU 89 -2.585 6.335 -25.614 305 HA GLU 89 HA GLU 89 -3.711 8.883 -26.230 306 HB2 GLU 89 HB2 GLU 89 -4.696 6.739 -25.145 307 HB3 GLU 89 HB3 GLU 89 -4.099 7.374 -23.619 308 HG2 GLU 89 HG2 GLU 89 -5.999 8.791 -25.541 309 HG3 GLU 89 HG3 GLU 89 -6.489 7.824 -24.157 310 H ARG 90 H ARG 90 -1.674 7.866 -23.430 311 HA ARG 90 HA ARG 90 -1.612 10.454 -22.196 312 HB2 ARG 90 HB2 ARG 90 0.575 8.374 -21.935 313 HB3 ARG 90 HB3 ARG 90 0.132 9.639 -20.791 314 HG2 ARG 90 HG2 ARG 90 -2.179 7.934 -21.214 315 HG3 ARG 90 HG3 ARG 90 -0.747 6.937 -20.926 316 HD2 ARG 90 HD2 ARG 90 -0.337 8.150 -18.811 317 HD3 ARG 90 HD3 ARG 90 -1.818 9.099 -19.104 318 HE ARG 90 HE ARG 90 -1.991 6.126 -19.198 319 HH11 ARG 90 HH11 ARG 90 -2.634 8.867 -17.085 320 HH12 ARG 90 HH12 ARG 90 -3.924 8.020 -16.276 321 HH21 ARG 90 HH21 ARG 90 -3.697 5.247 -18.346 322 HH22 ARG 90 HH22 ARG 90 -4.480 5.936 -16.928 323 H LYS 91 H LYS 91 0.465 9.052 -24.684 324 HA LYS 91 HA LYS 91 2.423 11.183 -24.716 325 HB2 LYS 91 HB2 LYS 91 2.914 8.857 -25.308 326 HB3 LYS 91 HB3 LYS 91 1.830 8.939 -26.687 327 HG2 LYS 91 HG2 LYS 91 3.960 11.038 -26.635 328 HG3 LYS 91 HG3 LYS 91 4.558 9.381 -26.714 329 HD2 LYS 91 HD2 LYS 91 3.273 8.896 -28.705 330 HD3 LYS 91 HD3 LYS 91 2.445 10.463 -28.631 331 HE2 LYS 91 HE2 LYS 91 4.642 11.623 -28.915 332 HE3 LYS 91 HE3 LYS 91 5.462 10.059 -28.973 333 HZ1 LYS 91 HZ1 LYS 91 3.445 10.997 -30.962 334 HZ2 LYS 91 HZ2 LYS 91 5.054 10.920 -31.211 335 HZ3 LYS 91 HZ3 LYS 91 4.202 9.545 -31.012 336 H ARG 92 H ARG 92 -0.553 10.553 -26.583 337 HA ARG 92 HA ARG 92 -0.324 12.933 -28.258 338 HB2 ARG 92 HB2 ARG 92 -2.662 11.195 -27.370 339 HB3 ARG 92 HB3 ARG 92 -2.878 12.637 -28.369 340 HG2 ARG 92 HG2 ARG 92 -1.456 11.745 -30.124 341 HG3 ARG 92 HG3 ARG 92 -1.040 10.330 -29.151 342 HD2 ARG 92 HD2 ARG 92 -3.376 9.584 -29.157 343 HD3 ARG 92 HD3 ARG 92 -3.875 11.016 -30.052 344 HE ARG 92 HE ARG 92 -2.458 8.641 -31.076 345 HH11 ARG 92 HH11 ARG 92 -3.414 11.923 -31.893 346 HH12 ARG 92 HH12 ARG 92 -3.221 11.644 -33.600 347 HH21 ARG 92 HH21 ARG 92 -2.237 8.366 -33.266 348 HH22 ARG 92 HH22 ARG 92 -2.571 9.682 -34.351 349 H SER 93 H SER 93 -1.649 12.386 -24.983 350 HA SER 93 HA SER 93 -2.460 15.144 -24.623 351 HB2 SER 93 HB2 SER 93 -3.322 13.179 -23.343 352 HB3 SER 93 HB3 SER 93 -1.770 13.103 -22.484 353 HG SER 93 HG SER 93 -3.417 14.349 -21.375 354 H GLU 94 H GLU 94 0.522 13.397 -23.673 355 HA GLU 94 HA GLU 94 1.940 15.952 -23.042 356 HB2 GLU 94 HB2 GLU 94 1.881 13.346 -21.478 357 HB3 GLU 94 HB3 GLU 94 2.961 14.704 -21.177 358 HG2 GLU 94 HG2 GLU 94 0.963 16.176 -20.823 359 HG3 GLU 94 HG3 GLU 94 -0.076 14.754 -20.967 360 HA PRO 95 HA PRO 95 4.082 13.785 -26.307 361 HB2 PRO 95 HB2 PRO 95 5.877 15.694 -27.153 362 HB3 PRO 95 HB3 PRO 95 4.114 15.776 -27.438 363 HG2 PRO 95 HG2 PRO 95 5.692 17.079 -25.191 364 HG3 PRO 95 HG3 PRO 95 4.508 17.849 -26.301 365 HD2 PRO 95 HD2 PRO 95 3.759 17.011 -23.844 366 HD3 PRO 95 HD3 PRO 95 2.679 16.752 -25.250 367 H TRP 96 H TRP 96 5.722 14.565 -23.412 368 HA TRP 96 HA TRP 96 8.365 13.536 -24.146 369 HB2 TRP 96 HB2 TRP 96 8.834 14.018 -21.749 370 HB3 TRP 96 HB3 TRP 96 8.232 15.384 -22.666 371 HD1 TRP 96 HD1 TRP 96 6.779 12.694 -20.276 372 HE1 TRP 96 HE1 TRP 96 4.923 13.770 -18.850 373 HE3 TRP 96 HE3 TRP 96 6.660 17.330 -22.460 374 HZ2 TRP 96 HZ2 TRP 96 3.550 16.310 -18.705 375 HZ3 TRP 96 HZ3 TRP 96 5.019 19.035 -21.701 376 HH2 TRP 96 HH2 TRP 96 3.468 18.539 -19.822 377 H LEU 97 H LEU 97 5.537 11.883 -23.476 378 HA LEU 97 HA LEU 97 6.160 10.244 -21.354 379 HB2 LEU 97 HB2 LEU 97 3.984 10.618 -22.939 380 HB3 LEU 97 HB3 LEU 97 4.507 9.109 -23.598 381 HG LEU 97 HG LEU 97 3.072 8.296 -22.061 382 HD11 LEU 97 HD11 LEU 97 5.259 8.837 -19.999 383 HD12 LEU 97 HD12 LEU 97 3.984 7.610 -19.927 384 HD13 LEU 97 HD13 LEU 97 5.249 7.464 -21.139 385 HD21 LEU 97 HD21 LEU 97 2.301 10.499 -21.380 386 HD22 LEU 97 HD22 LEU 97 2.405 9.369 -20.015 387 HD23 LEU 97 HD23 LEU 97 3.646 10.633 -20.226 388 H ARG 98 H ARG 98 7.596 8.608 -20.994 389 HA ARG 98 HA ARG 98 8.875 7.193 -23.271 390 HB2 ARG 98 HB2 ARG 98 9.535 7.222 -20.297 391 HB3 ARG 98 HB3 ARG 98 10.405 6.287 -21.521 392 HG2 ARG 98 HG2 ARG 98 10.940 8.405 -22.742 393 HG3 ARG 98 HG3 ARG 98 10.162 9.329 -21.443 394 HD2 ARG 98 HD2 ARG 98 11.765 8.401 -19.810 395 HD3 ARG 98 HD3 ARG 98 12.535 7.453 -21.103 396 HE ARG 98 HE ARG 98 12.479 10.227 -21.836 397 HH11 ARG 98 HH11 ARG 98 14.219 8.125 -19.633 398 HH12 ARG 98 HH12 ARG 98 15.638 9.136 -19.642 399 HH21 ARG 98 HH21 ARG 98 14.322 11.470 -21.803 400 HH22 ARG 98 HH22 ARG 98 15.685 10.987 -20.841 401 H LEU 99 H LEU 99 9.000 4.991 -23.496 402 HA LEU 99 HA LEU 99 6.623 3.515 -22.440 403 HB2 LEU 99 HB2 LEU 99 6.329 4.344 -24.649 404 HB3 LEU 99 HB3 LEU 99 7.857 3.725 -25.204 405 HG LEU 99 HG LEU 99 5.713 2.595 -25.976 406 HD11 LEU 99 HD11 LEU 99 7.763 0.754 -24.669 407 HD12 LEU 99 HD12 LEU 99 6.751 0.420 -26.072 408 HD13 LEU 99 HD13 LEU 99 8.016 1.631 -26.191 409 HD21 LEU 99 HD21 LEU 99 4.593 2.501 -23.765 410 HD22 LEU 99 HD22 LEU 99 4.624 0.980 -24.665 411 HD23 LEU 99 HD23 LEU 99 5.719 1.203 -23.291 412 H ASP 100 H ASP 100 7.030 1.669 -21.384 413 HA ASP 100 HA ASP 100 9.502 0.071 -21.930 414 HB2 ASP 100 HB2 ASP 100 8.414 0.804 -19.186 415 HB3 ASP 100 HB3 ASP 100 9.766 -0.269 -19.518 416 H MET 101 H MET 101 8.516 -1.689 -22.923 417 HA MET 101 HA MET 101 6.617 -3.294 -21.324 418 HB2 MET 101 HB2 MET 101 4.924 -3.415 -23.045 419 HB3 MET 101 HB3 MET 101 5.162 -1.771 -22.489 420 HG2 MET 101 HG2 MET 101 6.379 -1.165 -24.477 421 HG3 MET 101 HG3 MET 101 6.386 -2.837 -25.045 422 HE1 MET 101 HE1 MET 101 5.636 -2.213 -27.272 423 HE2 MET 101 HE2 MET 101 4.009 -1.649 -27.709 424 HE3 MET 101 HE3 MET 101 5.199 -0.490 -27.090 425 H SER 102 H SER 102 9.235 -4.024 -21.837 426 HA SER 102 HA SER 102 9.283 -6.221 -23.786 427 HB2 SER 102 HB2 SER 102 11.193 -6.982 -22.408 428 HB3 SER 102 HB3 SER 102 11.361 -5.274 -22.844 429 HG SER 102 HG SER 102 11.779 -5.576 -20.652 430 H ASP 103 H ASP 103 9.400 -8.549 -22.869 431 HA ASP 103 HA ASP 103 7.087 -9.248 -21.340 432 HB2 ASP 103 HB2 ASP 103 8.003 -11.465 -21.256 433 HB3 ASP 103 HB3 ASP 103 8.174 -10.799 -22.872 434 H LYS 104 H LYS 104 10.394 -8.430 -20.335 435 HA LYS 104 HA LYS 104 10.102 -9.176 -17.539 436 HB2 LYS 104 HB2 LYS 104 11.990 -7.300 -19.017 437 HB3 LYS 104 HB3 LYS 104 12.003 -7.432 -17.265 438 HG2 LYS 104 HG2 LYS 104 13.748 -8.816 -18.200 439 HG3 LYS 104 HG3 LYS 104 12.545 -9.815 -17.375 440 HD2 LYS 104 HD2 LYS 104 11.549 -10.444 -19.505 441 HD3 LYS 104 HD3 LYS 104 12.661 -9.367 -20.389 442 HE2 LYS 104 HE2 LYS 104 14.557 -10.804 -19.638 443 HE3 LYS 104 HE3 LYS 104 13.413 -11.822 -18.745 444 HZ1 LYS 104 HZ1 LYS 104 13.487 -11.447 -21.694 445 HZ2 LYS 104 HZ2 LYS 104 13.769 -12.840 -20.881 446 HZ3 LYS 104 HZ3 LYS 104 12.250 -12.186 -20.935 447 H ALA 105 H ALA 105 9.670 -6.024 -19.237 448 HA ALA 105 HA ALA 105 8.767 -4.623 -16.906 449 HB1 ALA 105 HB1 ALA 105 8.178 -4.129 -19.847 450 HB2 ALA 105 HB2 ALA 105 7.962 -2.955 -18.531 451 HB3 ALA 105 HB3 ALA 105 9.588 -3.528 -18.948 452 H ILE 106 H ILE 106 6.940 -6.524 -19.343 453 HA ILE 106 HA ILE 106 4.306 -5.988 -18.291 454 HB ILE 106 HB ILE 106 5.384 -8.300 -19.918 455 HG12 ILE 106 HG12 ILE 106 3.559 -6.028 -20.824 456 HG13 ILE 106 HG13 ILE 106 5.299 -5.815 -20.826 457 HG21 ILE 106 HG21 ILE 106 2.501 -7.553 -19.216 458 HG22 ILE 106 HG22 ILE 106 2.956 -8.727 -20.468 459 HG23 ILE 106 HG23 ILE 106 3.338 -9.061 -18.779 460 HD11 ILE 106 HD11 ILE 106 3.777 -7.907 -22.415 461 HD12 ILE 106 HD12 ILE 106 4.640 -6.476 -23.019 462 HD13 ILE 106 HD13 ILE 106 5.547 -7.813 -22.308 463 H PHE 107 H PHE 107 6.559 -8.769 -17.532 464 HA PHE 107 HA PHE 107 4.822 -9.787 -15.495 465 HB2 PHE 107 HB2 PHE 107 7.838 -10.024 -15.781 466 HB3 PHE 107 HB3 PHE 107 6.855 -10.974 -14.678 467 HD1 PHE 107 HD2 PHE 107 4.534 -11.843 -16.274 468 HD2 PHE 107 HD1 PHE 107 8.702 -11.540 -17.352 469 HE1 PHE 107 HE2 PHE 107 4.227 -13.590 -18.003 470 HE2 PHE 107 HE1 PHE 107 8.380 -13.287 -19.081 471 HZ PHE 107 HZ PHE 107 6.141 -14.316 -19.410 472 H ARG 108 H ARG 108 7.355 -7.268 -15.272 473 HA ARG 108 HA ARG 108 7.192 -7.046 -12.372 474 HB2 ARG 108 HB2 ARG 108 8.272 -5.199 -14.540 475 HB3 ARG 108 HB3 ARG 108 8.374 -4.816 -12.828 476 HG2 ARG 108 HG2 ARG 108 9.573 -7.348 -14.037 477 HG3 ARG 108 HG3 ARG 108 10.451 -5.833 -13.827 478 HD2 ARG 108 HD2 ARG 108 10.044 -5.935 -11.383 479 HD3 ARG 108 HD3 ARG 108 9.210 -7.474 -11.569 480 HE ARG 108 HE ARG 108 12.102 -6.939 -11.758 481 HH11 ARG 108 HH11 ARG 108 9.648 -9.392 -12.330 482 HH12 ARG 108 HH12 ARG 108 10.825 -10.674 -12.372 483 HH21 ARG 108 HH21 ARG 108 13.530 -8.624 -11.825 484 HH22 ARG 108 HH22 ARG 108 12.966 -10.244 -12.092 485 H ARG 109 H ARG 109 5.506 -5.284 -14.980 486 HA ARG 109 HA ARG 109 4.019 -3.573 -13.105 487 HB2 ARG 109 HB2 ARG 109 3.679 -4.178 -16.076 488 HB3 ARG 109 HB3 ARG 109 2.651 -3.062 -15.171 489 HG2 ARG 109 HG2 ARG 109 4.644 -1.697 -14.570 490 HG3 ARG 109 HG3 ARG 109 5.668 -2.757 -15.544 491 HD2 ARG 109 HD2 ARG 109 4.320 -2.236 -17.554 492 HD3 ARG 109 HD3 ARG 109 3.286 -1.165 -16.615 493 HE ARG 109 HE ARG 109 5.877 -0.579 -17.744 494 HH11 ARG 109 HH11 ARG 109 3.820 0.394 -15.054 495 HH12 ARG 109 HH12 ARG 109 4.604 1.938 -14.905 496 HH21 ARG 109 HH21 ARG 109 6.802 1.440 -17.492 497 HH22 ARG 109 HH22 ARG 109 6.240 2.502 -16.239 498 H TYR 110 H TYR 110 3.352 -6.610 -14.768 499 HA TYR 110 HA TYR 110 0.811 -6.984 -13.237 500 HB2 TYR 110 HB2 TYR 110 1.365 -7.429 -16.188 501 HB3 TYR 110 HB3 TYR 110 -0.052 -7.999 -15.326 502 HD1 TYR 110 HD1 TYR 110 -1.653 -6.318 -14.286 503 HD2 TYR 110 HD2 TYR 110 1.406 -5.267 -17.144 504 HE1 TYR 110 HE1 TYR 110 -2.946 -4.289 -14.920 505 HE2 TYR 110 HE2 TYR 110 0.119 -3.220 -17.762 506 HH TYR 110 HH TYR 110 -3.017 -2.391 -16.236 507 HA PRO 111 HA PRO 111 3.583 -10.626 -12.672 508 HB2 PRO 111 HB2 PRO 111 2.834 -11.374 -10.148 509 HB3 PRO 111 HB3 PRO 111 3.920 -9.991 -10.483 510 HG2 PRO 111 HG2 PRO 111 0.923 -9.918 -9.992 511 HG3 PRO 111 HG3 PRO 111 2.197 -8.929 -9.207 512 HD2 PRO 111 HD2 PRO 111 0.766 -7.991 -11.313 513 HD3 PRO 111 HD3 PRO 111 2.511 -7.619 -11.153 514 H HIS 112 H HIS 112 0.098 -10.484 -12.764 515 HA HIS 112 HA HIS 112 -0.431 -13.288 -12.405 516 HB2 HIS 112 HB2 HIS 112 -2.635 -12.783 -13.002 517 HB3 HIS 112 HB3 HIS 112 -2.053 -11.433 -12.039 518 HD2 HIS 112 HD2 HIS 112 -3.622 -12.306 -15.323 519 HE1 HIS 112 HE1 HIS 112 -2.426 -8.245 -15.784 520 HE2 HIS 112 HE2 HIS 112 -3.801 -10.144 -16.810 521 H LEU 113 H LEU 113 0.974 -11.681 -15.117 522 HA LEU 113 HA LEU 113 -0.094 -13.453 -17.172 523 HB2 LEU 113 HB2 LEU 113 2.240 -11.484 -17.175 524 HB3 LEU 113 HB3 LEU 113 1.801 -12.471 -18.544 525 HG LEU 113 HG LEU 113 0.935 -10.376 -19.037 526 HD11 LEU 113 HD11 LEU 113 -1.487 -11.812 -17.873 527 HD12 LEU 113 HD12 LEU 113 -1.454 -10.663 -19.218 528 HD13 LEU 113 HD13 LEU 113 -0.714 -12.269 -19.407 529 HD21 LEU 113 HD21 LEU 113 1.127 -9.396 -16.928 530 HD22 LEU 113 HD22 LEU 113 -0.471 -9.047 -17.618 531 HD23 LEU 113 HD23 LEU 113 -0.303 -10.253 -16.317 532 H ARG 114 H ARG 114 2.393 -13.991 -14.810 533 HA ARG 114 HA ARG 114 3.991 -15.814 -16.409 534 HB2 ARG 114 HB2 ARG 114 5.008 -14.497 -14.664 535 HB3 ARG 114 HB3 ARG 114 3.871 -15.124 -13.446 536 HG2 ARG 114 HG2 ARG 114 4.723 -17.351 -13.687 537 HG3 ARG 114 HG3 ARG 114 5.743 -16.878 -15.064 538 HD2 ARG 114 HD2 ARG 114 7.101 -15.450 -13.569 539 HD3 ARG 114 HD3 ARG 114 6.036 -15.843 -12.210 540 HE ARG 114 HE ARG 114 6.984 -17.939 -11.994 541 HH11 ARG 114 HH11 ARG 114 8.322 -16.541 -14.927 542 HH12 ARG 114 HH12 ARG 114 9.512 -17.810 -15.076 543 HH21 ARG 114 HH21 ARG 114 8.504 -19.498 -12.261 544 HH22 ARG 114 HH22 ARG 114 9.610 -19.433 -13.604 Start of MODEL 20 1 H1 MET 1 H1 MET 1 14.956 5.997 -4.878 2 H2 MET 1 H2 MET 1 14.602 5.547 -3.352 3 H3 MET 1 H3 MET 1 15.062 4.421 -4.442 4 HA MET 1 HA MET 1 16.723 6.629 -3.390 5 HB2 MET 1 HB2 MET 1 16.362 4.869 -1.708 6 HB3 MET 1 HB3 MET 1 17.023 3.654 -2.795 7 HG2 MET 1 HG2 MET 1 19.191 4.975 -2.824 8 HG3 MET 1 HG3 MET 1 18.499 6.043 -1.605 9 HE1 MET 1 HE1 MET 1 16.997 4.126 0.463 10 HE2 MET 1 HE2 MET 1 18.339 3.788 1.573 11 HE3 MET 1 HE3 MET 1 18.141 5.419 0.901 12 H ARG 2 H ARG 2 17.621 3.451 -4.890 13 HA ARG 2 HA ARG 2 19.228 4.954 -6.923 14 HB2 ARG 2 HB2 ARG 2 21.233 3.735 -6.296 15 HB3 ARG 2 HB3 ARG 2 20.603 4.666 -4.946 16 HG2 ARG 2 HG2 ARG 2 19.604 2.590 -3.974 17 HG3 ARG 2 HG3 ARG 2 20.269 1.652 -5.322 18 HD2 ARG 2 HD2 ARG 2 22.565 2.304 -4.640 19 HD3 ARG 2 HD3 ARG 2 21.903 3.322 -3.364 20 HE ARG 2 HE ARG 2 21.409 1.474 -2.053 21 HH11 ARG 2 HH11 ARG 2 22.524 0.265 -5.158 22 HH12 ARG 2 HH12 ARG 2 22.699 -1.360 -4.558 23 HH21 ARG 2 HH21 ARG 2 21.654 -0.614 -1.365 24 HH22 ARG 2 HH22 ARG 2 22.216 -1.840 -2.462 25 H GLY 3 H GLY 3 16.832 2.989 -7.002 26 HA2 GLY 3 HA2 GLY 3 17.844 0.770 -8.646 27 HA3 GLY 3 HA3 GLY 3 16.163 1.120 -8.260 28 H SER 4 H SER 4 17.175 0.370 -10.804 29 HA SER 4 HA SER 4 16.242 2.632 -12.499 30 HB2 SER 4 HB2 SER 4 18.773 1.012 -13.007 31 HB3 SER 4 HB3 SER 4 18.024 2.131 -14.159 32 HG SER 4 HG SER 4 19.744 3.111 -12.968 33 H HIS 5 H HIS 5 15.335 1.992 -14.504 34 HA HIS 5 HA HIS 5 15.109 -0.911 -15.083 35 HB2 HIS 5 HB2 HIS 5 13.124 -0.461 -13.791 36 HB3 HIS 5 HB3 HIS 5 12.719 0.934 -14.786 37 HD2 HIS 5 HD2 HIS 5 13.789 -2.573 -16.139 38 HE1 HIS 5 HE1 HIS 5 9.937 -1.689 -17.698 39 HE2 HIS 5 HE2 HIS 5 11.913 -3.299 -17.798 40 H HIS 6 H HIS 6 13.348 1.728 -16.671 41 HA HIS 6 HA HIS 6 13.251 2.371 -18.844 42 HB2 HIS 6 HB2 HIS 6 14.996 3.792 -17.879 43 HB3 HIS 6 HB3 HIS 6 16.235 2.664 -18.438 44 HD2 HIS 6 HD2 HIS 6 17.197 3.138 -20.792 45 HE1 HIS 6 HE1 HIS 6 14.085 5.560 -22.415 46 HE2 HIS 6 HE2 HIS 6 16.394 4.579 -22.848 47 H HIS 7 H HIS 7 12.475 0.401 -19.612 48 HA HIS 7 HA HIS 7 14.298 -1.021 -21.531 49 HB2 HIS 7 HB2 HIS 7 11.659 -1.879 -20.289 50 HB3 HIS 7 HB3 HIS 7 12.383 -2.681 -21.676 51 HD2 HIS 7 HD2 HIS 7 15.340 -1.988 -19.674 52 HE1 HIS 7 HE1 HIS 7 13.919 -5.664 -18.066 53 HE2 HIS 7 HE2 HIS 7 15.907 -4.078 -18.192 54 H HIS 8 H HIS 8 13.235 -1.574 -23.640 55 HA HIS 8 HA HIS 8 11.123 0.284 -24.542 56 HB2 HIS 8 HB2 HIS 8 13.370 1.429 -24.826 57 HB3 HIS 8 HB3 HIS 8 13.816 0.151 -25.955 58 HD2 HIS 8 HD2 HIS 8 11.078 2.902 -25.505 59 HE1 HIS 8 HE1 HIS 8 11.684 2.376 -29.697 60 HE2 HIS 8 HE2 HIS 8 10.478 3.759 -27.928 61 H HIS 9 H HIS 9 10.200 -0.343 -26.623 62 HA HIS 9 HA HIS 9 10.913 -2.961 -27.729 63 HB2 HIS 9 HB2 HIS 9 9.281 -3.093 -25.518 64 HB3 HIS 9 HB3 HIS 9 8.077 -3.001 -26.797 65 HD2 HIS 9 HD2 HIS 9 11.297 -5.053 -25.962 66 HE1 HIS 9 HE1 HIS 9 8.544 -7.674 -27.898 67 HE2 HIS 9 HE2 HIS 9 10.825 -7.519 -26.774 68 H HIS 10 H HIS 10 8.181 -0.668 -27.603 69 HA HIS 10 HA HIS 10 6.832 0.237 -29.244 70 HB2 HIS 10 HB2 HIS 10 8.832 1.626 -28.833 71 HB3 HIS 10 HB3 HIS 10 9.583 0.948 -30.281 72 HD2 HIS 10 HD2 HIS 10 9.356 2.710 -32.208 73 HE1 HIS 10 HE1 HIS 10 5.416 4.157 -31.432 74 HE2 HIS 10 HE2 HIS 10 7.431 4.338 -32.983 75 H GLY 11 H GLY 11 6.006 -1.845 -30.035 76 HA2 GLY 11 HA2 GLY 11 5.920 -1.716 -32.939 77 HA3 GLY 11 HA3 GLY 11 6.716 -3.186 -32.369 78 H SER 12 H SER 12 3.729 -1.252 -31.979 79 HA SER 12 HA SER 12 2.062 -3.684 -31.975 80 HB2 SER 12 HB2 SER 12 2.719 -3.162 -29.558 81 HB3 SER 12 HB3 SER 12 1.787 -1.669 -29.725 82 HG SER 12 HG SER 12 0.890 -4.380 -29.865 83 H GLY 58 H GLY 58 -0.346 -2.951 -31.744 84 HA2 GLY 58 HA2 GLY 58 -1.395 -0.495 -32.549 85 HA3 GLY 58 HA3 GLY 58 -0.892 -1.270 -34.061 86 H ALA 59 H ALA 59 -2.523 -2.365 -31.038 87 HA ALA 59 HA ALA 59 -4.790 -3.505 -32.593 88 HB1 ALA 59 HB1 ALA 59 -2.999 -5.084 -30.684 89 HB2 ALA 59 HB2 ALA 59 -4.436 -5.706 -31.523 90 HB3 ALA 59 HB3 ALA 59 -3.008 -5.236 -32.454 91 H LEU 60 H LEU 60 -6.311 -4.662 -30.889 92 HA LEU 60 HA LEU 60 -6.708 -2.908 -28.490 93 HB2 LEU 60 HB2 LEU 60 -8.637 -4.518 -30.196 94 HB3 LEU 60 HB3 LEU 60 -9.010 -4.094 -28.534 95 HG LEU 60 HG LEU 60 -8.827 -1.693 -29.040 96 HD11 LEU 60 HD11 LEU 60 -8.448 -2.606 -31.924 97 HD12 LEU 60 HD12 LEU 60 -8.910 -0.959 -31.439 98 HD13 LEU 60 HD13 LEU 60 -7.342 -1.597 -30.957 99 HD21 LEU 60 HD21 LEU 60 -10.991 -2.880 -29.152 100 HD22 LEU 60 HD22 LEU 60 -10.924 -1.552 -30.320 101 HD23 LEU 60 HD23 LEU 60 -10.716 -3.230 -30.874 102 H ALA 61 H ALA 61 -6.900 -3.854 -26.458 103 HA ALA 61 HA ALA 61 -5.738 -6.574 -26.187 104 HB1 ALA 61 HB1 ALA 61 -6.245 -4.383 -24.130 105 HB2 ALA 61 HB2 ALA 61 -5.423 -5.925 -23.830 106 HB3 ALA 61 HB3 ALA 61 -4.694 -4.739 -24.924 107 H ALA 62 H ALA 62 -6.752 -8.301 -25.227 108 HA ALA 62 HA ALA 62 -9.629 -8.083 -24.534 109 HB1 ALA 62 HB1 ALA 62 -7.802 -10.506 -24.696 110 HB2 ALA 62 HB2 ALA 62 -9.549 -10.524 -24.391 111 HB3 ALA 62 HB3 ALA 62 -8.931 -9.962 -25.956 112 H LEU 63 H LEU 63 -10.404 -8.290 -22.477 113 HA LEU 63 HA LEU 63 -8.445 -8.373 -20.216 114 HB2 LEU 63 HB2 LEU 63 -11.033 -6.797 -20.286 115 HB3 LEU 63 HB3 LEU 63 -9.783 -6.748 -19.050 116 HG LEU 63 HG LEU 63 -9.567 -5.650 -21.889 117 HD11 LEU 63 HD11 LEU 63 -9.703 -4.245 -19.192 118 HD12 LEU 63 HD12 LEU 63 -9.552 -3.467 -20.782 119 HD13 LEU 63 HD13 LEU 63 -11.027 -4.357 -20.374 120 HD21 LEU 63 HD21 LEU 63 -7.341 -6.349 -21.172 121 HD22 LEU 63 HD22 LEU 63 -7.464 -4.596 -21.129 122 HD23 LEU 63 HD23 LEU 63 -7.552 -5.517 -19.607 123 H HIS 64 H HIS 64 -9.193 -9.305 -18.244 124 HA HIS 64 HA HIS 64 -11.190 -11.454 -18.426 125 HB2 HIS 64 HB2 HIS 64 -9.714 -10.166 -16.127 126 HB3 HIS 64 HB3 HIS 64 -10.840 -11.502 -15.914 127 HD2 HIS 64 HD2 HIS 64 -7.232 -10.850 -16.412 128 HE1 HIS 64 HE1 HIS 64 -7.766 -14.973 -17.359 129 HE2 HIS 64 HE2 HIS 64 -6.046 -13.164 -16.848 130 H ALA 65 H ALA 65 -13.373 -11.318 -17.928 131 HA ALA 65 HA ALA 65 -14.491 -8.643 -17.443 132 HB1 ALA 65 HB1 ALA 65 -15.804 -11.331 -17.996 133 HB2 ALA 65 HB2 ALA 65 -16.596 -9.743 -18.043 134 HB3 ALA 65 HB3 ALA 65 -15.326 -10.130 -19.223 135 H ASP 66 H ASP 66 -13.908 -11.486 -15.494 136 HA ASP 66 HA ASP 66 -15.432 -10.394 -13.205 137 HB2 ASP 66 HB2 ASP 66 -16.808 -12.328 -12.976 138 HB3 ASP 66 HB3 ASP 66 -17.013 -11.731 -14.610 139 H GLY 67 H GLY 67 -15.271 -11.928 -11.267 140 HA2 GLY 67 HA2 GLY 67 -14.120 -13.262 -9.783 141 HA3 GLY 67 HA3 GLY 67 -13.235 -13.906 -11.153 142 HA PRO 68 HA PRO 68 -10.195 -11.963 -8.306 143 HB2 PRO 68 HB2 PRO 68 -7.903 -13.153 -9.371 144 HB3 PRO 68 HB3 PRO 68 -9.004 -13.922 -8.182 145 HG2 PRO 68 HG2 PRO 68 -8.952 -14.222 -11.195 146 HG3 PRO 68 HG3 PRO 68 -9.083 -15.509 -9.953 147 HD2 PRO 68 HD2 PRO 68 -11.258 -14.585 -11.242 148 HD3 PRO 68 HD3 PRO 68 -11.343 -14.951 -9.490 149 H HIS 69 H HIS 69 -9.962 -11.995 -11.816 150 HA HIS 69 HA HIS 69 -7.980 -9.758 -11.839 151 HB2 HIS 69 HB2 HIS 69 -8.452 -12.080 -13.707 152 HB3 HIS 69 HB3 HIS 69 -7.347 -10.757 -14.034 153 HD2 HIS 69 HD2 HIS 69 -6.093 -13.447 -14.003 154 HE1 HIS 69 HE1 HIS 69 -4.521 -12.589 -10.146 155 HE2 HIS 69 HE2 HIS 69 -4.319 -14.124 -12.165 156 H ALA 70 H ALA 70 -11.103 -9.566 -11.936 157 HA ALA 70 HA ALA 70 -11.966 -8.790 -14.459 158 HB1 ALA 70 HB1 ALA 70 -12.739 -7.572 -11.778 159 HB2 ALA 70 HB2 ALA 70 -13.690 -7.501 -13.278 160 HB3 ALA 70 HB3 ALA 70 -13.411 -9.060 -12.480 161 H GLY 71 H GLY 71 -11.431 -7.284 -15.860 162 HA2 GLY 71 HA2 GLY 71 -10.912 -5.185 -16.724 163 HA3 GLY 71 HA3 GLY 71 -10.523 -4.581 -15.117 164 H LEU 72 H LEU 72 -8.716 -7.365 -15.229 165 HA LEU 72 HA LEU 72 -6.276 -5.961 -16.093 166 HB2 LEU 72 HB2 LEU 72 -6.600 -8.835 -15.174 167 HB3 LEU 72 HB3 LEU 72 -5.102 -7.946 -15.351 168 HG LEU 72 HG LEU 72 -7.210 -7.433 -13.230 169 HD11 LEU 72 HD11 LEU 72 -4.338 -8.403 -12.970 170 HD12 LEU 72 HD12 LEU 72 -5.593 -8.363 -11.717 171 HD13 LEU 72 HD13 LEU 72 -5.703 -9.512 -13.066 172 HD21 LEU 72 HD21 LEU 72 -6.139 -5.308 -13.830 173 HD22 LEU 72 HD22 LEU 72 -5.541 -5.875 -12.266 174 HD23 LEU 72 HD23 LEU 72 -4.530 -6.061 -13.715 175 HA PRO 73 HA PRO 73 -6.103 -7.830 -20.210 176 HB2 PRO 73 HB2 PRO 73 -3.385 -8.178 -20.526 177 HB3 PRO 73 HB3 PRO 73 -4.215 -6.606 -20.707 178 HG2 PRO 73 HG2 PRO 73 -2.734 -7.716 -18.308 179 HG3 PRO 73 HG3 PRO 73 -2.648 -6.060 -18.989 180 HD2 PRO 73 HD2 PRO 73 -4.161 -6.604 -16.824 181 HD3 PRO 73 HD3 PRO 73 -4.711 -5.442 -18.052 182 H VAL 74 H VAL 74 -6.024 -9.906 -21.132 183 HA VAL 74 HA VAL 74 -5.836 -12.045 -19.162 184 HB VAL 74 HB VAL 74 -6.452 -12.336 -22.116 185 HG11 VAL 74 HG11 VAL 74 -6.947 -14.130 -19.708 186 HG12 VAL 74 HG12 VAL 74 -7.569 -14.422 -21.348 187 HG13 VAL 74 HG13 VAL 74 -5.829 -14.465 -21.050 188 HG21 VAL 74 HG21 VAL 74 -8.096 -10.833 -21.055 189 HG22 VAL 74 HG22 VAL 74 -8.821 -12.404 -21.385 190 HG23 VAL 74 HG23 VAL 74 -8.322 -11.992 -19.729 191 H THR 75 H THR 75 -4.007 -11.468 -22.264 192 HA THR 75 HA THR 75 -1.942 -13.383 -21.301 193 HB THR 75 HB THR 75 -1.317 -13.619 -23.570 194 HG1 THR 75 HG1 THR 75 -2.632 -12.386 -25.162 195 HG21 THR 75 HG21 THR 75 -4.353 -13.558 -23.619 196 HG22 THR 75 HG22 THR 75 -3.268 -14.526 -24.636 197 HG23 THR 75 HG23 THR 75 -3.383 -14.864 -22.901 198 H ARG 76 H ARG 76 0.342 -12.933 -22.017 199 HA ARG 76 HA ARG 76 1.419 -10.404 -21.222 200 HB2 ARG 76 HB2 ARG 76 2.706 -12.528 -21.396 201 HB3 ARG 76 HB3 ARG 76 2.524 -12.500 -23.154 202 HG2 ARG 76 HG2 ARG 76 3.827 -10.343 -23.220 203 HG3 ARG 76 HG3 ARG 76 4.010 -10.437 -21.463 204 HD2 ARG 76 HD2 ARG 76 6.040 -11.239 -22.536 205 HD3 ARG 76 HD3 ARG 76 5.244 -12.556 -21.694 206 HE ARG 76 HE ARG 76 4.837 -13.651 -23.686 207 HH11 ARG 76 HH11 ARG 76 5.999 -10.440 -24.573 208 HH12 ARG 76 HH12 ARG 76 6.184 -10.896 -26.241 209 HH21 ARG 76 HH21 ARG 76 5.079 -14.119 -25.821 210 HH22 ARG 76 HH22 ARG 76 5.670 -12.917 -26.926 211 H SER 77 H SER 77 0.392 -11.540 -24.456 212 HA SER 77 HA SER 77 1.153 -9.176 -25.885 213 HB2 SER 77 HB2 SER 77 -1.081 -11.139 -26.521 214 HB3 SER 77 HB3 SER 77 -0.330 -9.986 -27.640 215 HG SER 77 HG SER 77 0.594 -12.104 -27.815 216 H ASP 78 H ASP 78 -1.996 -10.061 -24.295 217 HA ASP 78 HA ASP 78 -3.317 -7.605 -24.960 218 HB2 ASP 78 HB2 ASP 78 -3.646 -9.408 -22.534 219 HB3 ASP 78 HB3 ASP 78 -4.711 -8.069 -22.943 220 H ALA 79 H ALA 79 -1.239 -8.424 -22.146 221 HA ALA 79 HA ALA 79 -1.432 -5.891 -20.830 222 HB1 ALA 79 HB1 ALA 79 0.793 -7.924 -20.802 223 HB2 ALA 79 HB2 ALA 79 0.477 -6.648 -19.585 224 HB3 ALA 79 HB3 ALA 79 -0.668 -7.983 -19.808 225 H ARG 80 H ARG 80 0.951 -7.022 -23.250 226 HA ARG 80 HA ARG 80 2.455 -4.608 -23.513 227 HB2 ARG 80 HB2 ARG 80 2.902 -6.958 -24.442 228 HB3 ARG 80 HB3 ARG 80 1.740 -6.613 -25.711 229 HG2 ARG 80 HG2 ARG 80 3.132 -4.821 -26.594 230 HG3 ARG 80 HG3 ARG 80 4.234 -4.929 -25.203 231 HD2 ARG 80 HD2 ARG 80 4.907 -7.181 -25.810 232 HD3 ARG 80 HD3 ARG 80 3.731 -7.250 -27.120 233 HE ARG 80 HE ARG 80 6.325 -5.833 -27.079 234 HH11 ARG 80 HH11 ARG 80 3.340 -6.248 -28.942 235 HH12 ARG 80 HH12 ARG 80 4.088 -5.566 -30.372 236 HH21 ARG 80 HH21 ARG 80 7.181 -5.206 -28.991 237 HH22 ARG 80 HH22 ARG 80 6.162 -5.098 -30.425 238 H VAL 81 H VAL 81 -0.579 -5.605 -25.123 239 HA VAL 81 HA VAL 81 -0.676 -3.267 -26.856 240 HB VAL 81 HB VAL 81 -2.690 -5.435 -26.162 241 HG11 VAL 81 HG11 VAL 81 -2.889 -3.197 -28.217 242 HG12 VAL 81 HG12 VAL 81 -3.934 -4.630 -28.171 243 HG13 VAL 81 HG13 VAL 81 -3.989 -3.463 -26.842 244 HG21 VAL 81 HG21 VAL 81 -0.631 -6.027 -27.583 245 HG22 VAL 81 HG22 VAL 81 -2.193 -6.291 -28.367 246 HG23 VAL 81 HG23 VAL 81 -1.218 -4.867 -28.776 247 H LEU 82 H LEU 82 -2.185 -4.099 -23.688 248 HA LEU 82 HA LEU 82 -3.652 -1.721 -23.432 249 HB2 LEU 82 HB2 LEU 82 -3.049 -4.013 -21.816 250 HB3 LEU 82 HB3 LEU 82 -2.533 -2.635 -20.867 251 HG LEU 82 HG LEU 82 -5.263 -3.048 -22.121 252 HD11 LEU 82 HD11 LEU 82 -4.308 -3.129 -19.217 253 HD12 LEU 82 HD12 LEU 82 -6.006 -3.212 -19.725 254 HD13 LEU 82 HD13 LEU 82 -4.885 -4.500 -20.197 255 HD21 LEU 82 HD21 LEU 82 -4.779 -0.644 -22.004 256 HD22 LEU 82 HD22 LEU 82 -5.932 -1.057 -20.732 257 HD23 LEU 82 HD23 LEU 82 -4.215 -0.810 -20.330 258 H ILE 83 H ILE 83 -0.291 -2.421 -22.298 259 HA ILE 83 HA ILE 83 0.297 0.181 -21.303 260 HB ILE 83 HB ILE 83 2.107 -1.901 -22.590 261 HG12 ILE 83 HG12 ILE 83 1.931 -1.055 -19.664 262 HG13 ILE 83 HG13 ILE 83 0.911 -2.329 -20.324 263 HG21 ILE 83 HG21 ILE 83 2.796 0.804 -21.354 264 HG22 ILE 83 HG22 ILE 83 3.978 -0.495 -21.442 265 HG23 ILE 83 HG23 ILE 83 3.299 0.154 -22.932 266 HD11 ILE 83 HD11 ILE 83 3.953 -2.383 -20.220 267 HD12 ILE 83 HD12 ILE 83 2.818 -3.359 -19.277 268 HD13 ILE 83 HD13 ILE 83 2.938 -3.597 -21.033 269 H PHE 84 H PHE 84 0.689 -1.114 -24.654 270 HA PHE 84 HA PHE 84 1.742 1.248 -25.735 271 HB2 PHE 84 HB2 PHE 84 1.687 -1.002 -26.827 272 HB3 PHE 84 HB3 PHE 84 -0.026 -0.785 -27.148 273 HD1 PHE 84 HD2 PHE 84 3.262 0.993 -27.584 274 HD2 PHE 84 HD1 PHE 84 -0.685 0.280 -29.157 275 HE1 PHE 84 HE2 PHE 84 3.870 2.260 -29.610 276 HE2 PHE 84 HE1 PHE 84 -0.077 1.554 -31.219 277 HZ PHE 84 HZ PHE 84 2.196 2.534 -31.451 278 H ASN 85 H ASN 85 -1.748 0.273 -25.851 279 HA ASN 85 HA ASN 85 -2.655 2.697 -27.054 280 HB2 ASN 85 HB2 ASN 85 -4.030 0.608 -25.307 281 HB3 ASN 85 HB3 ASN 85 -4.878 2.030 -25.900 282 HD21 ASN 85 HD22 ASN 85 -3.316 -0.985 -26.935 283 HD22 ASN 85 HD21 ASN 85 -4.129 -0.990 -28.507 284 H ASP 86 H ASP 86 -2.371 1.893 -23.549 285 HA ASP 86 HA ASP 86 -3.499 4.338 -22.578 286 HB2 ASP 86 HB2 ASP 86 -3.240 2.249 -21.271 287 HB3 ASP 86 HB3 ASP 86 -1.485 2.447 -21.301 288 H TRP 87 H TRP 87 -0.069 3.384 -23.165 289 HA TRP 87 HA TRP 87 1.144 5.894 -22.559 290 HB2 TRP 87 HB2 TRP 87 2.569 4.003 -22.872 291 HB3 TRP 87 HB3 TRP 87 1.880 3.651 -24.452 292 HD1 TRP 87 HD1 TRP 87 4.162 6.302 -22.799 293 HE1 TRP 87 HE1 TRP 87 5.783 7.179 -24.593 294 HE3 TRP 87 HE3 TRP 87 2.018 4.227 -26.996 295 HZ2 TRP 87 HZ2 TRP 87 6.172 6.931 -27.414 296 HZ3 TRP 87 HZ3 TRP 87 2.995 4.654 -29.223 297 HH2 TRP 87 HH2 TRP 87 5.088 5.974 -29.453 298 H GLU 88 H GLU 88 -0.073 4.680 -25.806 299 HA GLU 88 HA GLU 88 0.701 6.965 -27.167 300 HB2 GLU 88 HB2 GLU 88 -0.204 4.620 -27.994 301 HB3 GLU 88 HB3 GLU 88 -1.785 5.425 -27.952 302 HG2 GLU 88 HG2 GLU 88 -0.550 7.307 -29.265 303 HG3 GLU 88 HG3 GLU 88 0.729 6.129 -29.497 304 H GLU 89 H GLU 89 -2.484 6.389 -25.514 305 HA GLU 89 HA GLU 89 -3.645 8.894 -26.249 306 HB2 GLU 89 HB2 GLU 89 -4.861 6.937 -25.343 307 HB3 GLU 89 HB3 GLU 89 -4.052 7.142 -23.780 308 HG2 GLU 89 HG2 GLU 89 -5.064 9.355 -23.523 309 HG3 GLU 89 HG3 GLU 89 -5.790 9.238 -25.131 310 H ARG 90 H ARG 90 -1.758 7.963 -23.282 311 HA ARG 90 HA ARG 90 -1.786 10.666 -22.223 312 HB2 ARG 90 HB2 ARG 90 0.062 8.329 -21.615 313 HB3 ARG 90 HB3 ARG 90 -0.013 9.848 -20.698 314 HG2 ARG 90 HG2 ARG 90 -2.361 9.432 -20.094 315 HG3 ARG 90 HG3 ARG 90 -2.356 7.934 -21.029 316 HD2 ARG 90 HD2 ARG 90 -0.321 7.255 -19.543 317 HD3 ARG 90 HD3 ARG 90 -0.852 8.544 -18.457 318 HE ARG 90 HE ARG 90 -2.089 5.940 -19.016 319 HH11 ARG 90 HH11 ARG 90 -2.780 9.035 -17.464 320 HH12 ARG 90 HH12 ARG 90 -4.239 8.416 -16.745 321 HH21 ARG 90 HH21 ARG 90 -3.963 5.334 -18.301 322 HH22 ARG 90 HH22 ARG 90 -4.886 6.300 -17.152 323 H LYS 91 H LYS 91 0.328 9.115 -24.542 324 HA LYS 91 HA LYS 91 2.371 11.177 -24.527 325 HB2 LYS 91 HB2 LYS 91 2.835 8.829 -25.016 326 HB3 LYS 91 HB3 LYS 91 1.839 8.889 -26.463 327 HG2 LYS 91 HG2 LYS 91 4.060 10.911 -26.251 328 HG3 LYS 91 HG3 LYS 91 4.541 9.224 -26.411 329 HD2 LYS 91 HD2 LYS 91 3.296 8.950 -28.474 330 HD3 LYS 91 HD3 LYS 91 2.603 10.578 -28.338 331 HE2 LYS 91 HE2 LYS 91 4.907 11.551 -28.450 332 HE3 LYS 91 HE3 LYS 91 5.582 9.925 -28.598 333 HZ1 LYS 91 HZ1 LYS 91 3.738 11.192 -30.576 334 HZ2 LYS 91 HZ2 LYS 91 5.341 10.977 -30.778 335 HZ3 LYS 91 HZ3 LYS 91 4.357 9.679 -30.711 336 H ARG 92 H ARG 92 -0.506 10.534 -26.533 337 HA ARG 92 HA ARG 92 -0.198 12.863 -28.257 338 HB2 ARG 92 HB2 ARG 92 -2.589 11.196 -27.370 339 HB3 ARG 92 HB3 ARG 92 -2.746 12.593 -28.441 340 HG2 ARG 92 HG2 ARG 92 -1.363 11.592 -30.139 341 HG3 ARG 92 HG3 ARG 92 -0.870 10.277 -29.075 342 HD2 ARG 92 HD2 ARG 92 -2.540 9.441 -30.628 343 HD3 ARG 92 HD3 ARG 92 -3.182 9.427 -28.993 344 HE ARG 92 HE ARG 92 -4.767 11.026 -29.562 345 HH11 ARG 92 HH11 ARG 92 -2.528 10.829 -32.261 346 HH12 ARG 92 HH12 ARG 92 -3.545 11.804 -33.285 347 HH21 ARG 92 HH21 ARG 92 -5.999 12.268 -30.920 348 HH22 ARG 92 HH22 ARG 92 -5.460 12.591 -32.540 349 H SER 93 H SER 93 -1.625 12.418 -25.008 350 HA SER 93 HA SER 93 -2.381 15.194 -24.739 351 HB2 SER 93 HB2 SER 93 -3.266 13.231 -23.426 352 HB3 SER 93 HB3 SER 93 -1.769 13.275 -22.474 353 HG SER 93 HG SER 93 -2.273 15.240 -21.716 354 H GLU 94 H GLU 94 0.496 13.445 -23.428 355 HA GLU 94 HA GLU 94 1.985 16.021 -23.128 356 HB2 GLU 94 HB2 GLU 94 1.918 13.566 -21.338 357 HB3 GLU 94 HB3 GLU 94 3.172 14.787 -21.303 358 HG2 GLU 94 HG2 GLU 94 1.797 15.451 -19.586 359 HG3 GLU 94 HG3 GLU 94 1.349 16.531 -20.897 360 HA PRO 95 HA PRO 95 4.096 13.702 -26.291 361 HB2 PRO 95 HB2 PRO 95 5.958 15.528 -27.168 362 HB3 PRO 95 HB3 PRO 95 4.199 15.668 -27.460 363 HG2 PRO 95 HG2 PRO 95 5.818 16.958 -25.235 364 HG3 PRO 95 HG3 PRO 95 4.668 17.748 -26.366 365 HD2 PRO 95 HD2 PRO 95 3.876 16.989 -23.896 366 HD3 PRO 95 HD3 PRO 95 2.794 16.744 -25.303 367 H TRP 96 H TRP 96 5.707 14.418 -23.385 368 HA TRP 96 HA TRP 96 8.353 13.393 -24.137 369 HB2 TRP 96 HB2 TRP 96 8.869 14.035 -21.772 370 HB3 TRP 96 HB3 TRP 96 8.304 15.325 -22.811 371 HD1 TRP 96 HD1 TRP 96 6.724 12.905 -20.227 372 HE1 TRP 96 HE1 TRP 96 4.959 14.185 -18.860 373 HE3 TRP 96 HE3 TRP 96 6.878 17.385 -22.707 374 HZ2 TRP 96 HZ2 TRP 96 3.719 16.796 -18.899 375 HZ3 TRP 96 HZ3 TRP 96 5.342 19.229 -22.064 376 HH2 TRP 96 HH2 TRP 96 3.766 18.949 -20.163 377 H LEU 97 H LEU 97 5.606 11.712 -23.411 378 HA LEU 97 HA LEU 97 6.365 10.124 -21.225 379 HB2 LEU 97 HB2 LEU 97 4.081 10.562 -22.570 380 HB3 LEU 97 HB3 LEU 97 4.492 9.077 -23.348 381 HG LEU 97 HG LEU 97 3.424 7.993 -21.729 382 HD11 LEU 97 HD11 LEU 97 5.271 9.144 -19.593 383 HD12 LEU 97 HD12 LEU 97 4.189 7.751 -19.443 384 HD13 LEU 97 HD13 LEU 97 5.568 7.648 -20.519 385 HD21 LEU 97 HD21 LEU 97 2.186 10.040 -21.424 386 HD22 LEU 97 HD22 LEU 97 2.314 9.115 -19.921 387 HD23 LEU 97 HD23 LEU 97 3.327 10.573 -20.165 388 H ARG 98 H ARG 98 7.757 8.454 -20.973 389 HA ARG 98 HA ARG 98 8.934 7.023 -23.264 390 HB2 ARG 98 HB2 ARG 98 9.310 6.652 -20.257 391 HB3 ARG 98 HB3 ARG 98 10.200 5.785 -21.515 392 HG2 ARG 98 HG2 ARG 98 11.046 7.998 -22.384 393 HG3 ARG 98 HG3 ARG 98 10.274 8.789 -20.993 394 HD2 ARG 98 HD2 ARG 98 11.627 7.371 -19.460 395 HD3 ARG 98 HD3 ARG 98 12.409 6.620 -20.861 396 HE ARG 98 HE ARG 98 12.592 9.542 -20.834 397 HH11 ARG 98 HH11 ARG 98 14.245 6.644 -19.706 398 HH12 ARG 98 HH12 ARG 98 15.701 7.527 -19.339 399 HH21 ARG 98 HH21 ARG 98 14.515 10.565 -20.417 400 HH22 ARG 98 HH22 ARG 98 15.861 9.671 -19.770 401 H LEU 99 H LEU 99 8.981 4.707 -23.430 402 HA LEU 99 HA LEU 99 6.399 3.401 -22.669 403 HB2 LEU 99 HB2 LEU 99 6.263 4.298 -24.876 404 HB3 LEU 99 HB3 LEU 99 7.774 3.592 -25.369 405 HG LEU 99 HG LEU 99 5.539 2.602 -26.209 406 HD11 LEU 99 HD11 LEU 99 7.542 0.661 -24.979 407 HD12 LEU 99 HD12 LEU 99 6.498 0.404 -26.377 408 HD13 LEU 99 HD13 LEU 99 7.806 1.582 -26.478 409 HD21 LEU 99 HD21 LEU 99 4.441 2.451 -23.984 410 HD22 LEU 99 HD22 LEU 99 4.417 0.968 -24.945 411 HD23 LEU 99 HD23 LEU 99 5.538 1.106 -23.580 412 H ASP 100 H ASP 100 6.760 1.722 -21.434 413 HA ASP 100 HA ASP 100 9.232 0.049 -21.718 414 HB2 ASP 100 HB2 ASP 100 7.683 0.937 -19.252 415 HB3 ASP 100 HB3 ASP 100 8.906 -0.322 -19.251 416 H MET 101 H MET 101 8.271 -1.587 -23.046 417 HA MET 101 HA MET 101 6.441 -3.399 -21.589 418 HB2 MET 101 HB2 MET 101 4.816 -3.589 -23.345 419 HB3 MET 101 HB3 MET 101 4.922 -1.945 -22.761 420 HG2 MET 101 HG2 MET 101 6.208 -1.262 -24.725 421 HG3 MET 101 HG3 MET 101 6.187 -2.926 -25.331 422 HE1 MET 101 HE1 MET 101 5.382 -2.212 -27.564 423 HE2 MET 101 HE2 MET 101 3.741 -1.645 -27.942 424 HE3 MET 101 HE3 MET 101 4.933 -0.491 -27.335 425 H SER 102 H SER 102 9.121 -3.838 -21.993 426 HA SER 102 HA SER 102 9.479 -6.049 -23.869 427 HB2 SER 102 HB2 SER 102 11.376 -6.581 -22.357 428 HB3 SER 102 HB3 SER 102 11.383 -4.864 -22.814 429 HG SER 102 HG SER 102 11.640 -5.006 -20.568 430 H ASP 103 H ASP 103 9.614 -8.350 -23.035 431 HA ASP 103 HA ASP 103 7.304 -9.192 -21.574 432 HB2 ASP 103 HB2 ASP 103 8.267 -11.369 -21.586 433 HB3 ASP 103 HB3 ASP 103 8.596 -10.622 -23.143 434 H LYS 104 H LYS 104 10.610 -8.455 -20.494 435 HA LYS 104 HA LYS 104 10.323 -9.174 -17.731 436 HB2 LYS 104 HB2 LYS 104 12.087 -7.095 -19.092 437 HB3 LYS 104 HB3 LYS 104 12.217 -7.578 -17.390 438 HG2 LYS 104 HG2 LYS 104 12.579 -9.952 -18.121 439 HG3 LYS 104 HG3 LYS 104 12.581 -9.404 -19.809 440 HD2 LYS 104 HD2 LYS 104 14.509 -7.922 -19.326 441 HD3 LYS 104 HD3 LYS 104 14.504 -8.483 -17.634 442 HE2 LYS 104 HE2 LYS 104 14.887 -10.817 -18.417 443 HE3 LYS 104 HE3 LYS 104 14.897 -10.257 -20.094 444 HZ1 LYS 104 HZ1 LYS 104 16.867 -9.434 -18.011 445 HZ2 LYS 104 HZ2 LYS 104 17.158 -10.485 -19.223 446 HZ3 LYS 104 HZ3 LYS 104 16.878 -8.916 -19.565 447 H ALA 105 H ALA 105 9.771 -5.992 -19.352 448 HA ALA 105 HA ALA 105 8.914 -4.635 -16.988 449 HB1 ALA 105 HB1 ALA 105 8.134 -4.152 -19.901 450 HB2 ALA 105 HB2 ALA 105 8.010 -2.978 -18.577 451 HB3 ALA 105 HB3 ALA 105 9.609 -3.541 -19.127 452 H ILE 106 H ILE 106 7.017 -6.496 -19.415 453 HA ILE 106 HA ILE 106 4.423 -5.998 -18.239 454 HB ILE 106 HB ILE 106 5.392 -8.276 -19.982 455 HG12 ILE 106 HG12 ILE 106 3.653 -5.908 -20.801 456 HG13 ILE 106 HG13 ILE 106 5.400 -5.762 -20.828 457 HG21 ILE 106 HG21 ILE 106 2.568 -7.401 -19.176 458 HG22 ILE 106 HG22 ILE 106 2.920 -8.550 -20.476 459 HG23 ILE 106 HG23 ILE 106 3.335 -8.964 -18.812 460 HD11 ILE 106 HD11 ILE 106 3.782 -7.772 -22.426 461 HD12 ILE 106 HD12 ILE 106 4.666 -6.352 -23.024 462 HD13 ILE 106 HD13 ILE 106 5.558 -7.725 -22.354 463 H PHE 107 H PHE 107 6.647 -8.855 -17.752 464 HA PHE 107 HA PHE 107 4.921 -9.935 -15.722 465 HB2 PHE 107 HB2 PHE 107 7.855 -10.422 -16.331 466 HB3 PHE 107 HB3 PHE 107 6.919 -11.363 -15.182 467 HD1 PHE 107 HD1 PHE 107 4.382 -11.965 -16.424 468 HD2 PHE 107 HD2 PHE 107 8.307 -11.786 -18.200 469 HE1 PHE 107 HE1 PHE 107 3.665 -13.561 -18.183 470 HE2 PHE 107 HE2 PHE 107 7.584 -13.379 -19.955 471 HZ PHE 107 HZ PHE 107 5.254 -14.262 -19.956 472 H ARG 108 H ARG 108 7.499 -7.518 -15.447 473 HA ARG 108 HA ARG 108 7.519 -7.577 -12.518 474 HB2 ARG 108 HB2 ARG 108 8.603 -5.651 -14.614 475 HB3 ARG 108 HB3 ARG 108 8.736 -5.309 -12.903 476 HG2 ARG 108 HG2 ARG 108 9.843 -7.852 -14.176 477 HG3 ARG 108 HG3 ARG 108 10.772 -6.366 -13.937 478 HD2 ARG 108 HD2 ARG 108 10.377 -6.512 -11.493 479 HD3 ARG 108 HD3 ARG 108 9.483 -8.030 -11.733 480 HE ARG 108 HE ARG 108 12.032 -8.301 -12.959 481 HH11 ARG 108 HH11 ARG 108 10.750 -8.068 -9.701 482 HH12 ARG 108 HH12 ARG 108 12.069 -8.978 -9.018 483 HH21 ARG 108 HH21 ARG 108 13.687 -9.456 -12.019 484 HH22 ARG 108 HH22 ARG 108 13.688 -9.739 -10.304 485 H ARG 109 H ARG 109 5.868 -5.501 -14.901 486 HA ARG 109 HA ARG 109 4.651 -3.866 -12.757 487 HB2 ARG 109 HB2 ARG 109 4.452 -3.730 -15.791 488 HB3 ARG 109 HB3 ARG 109 3.727 -2.568 -14.677 489 HG2 ARG 109 HG2 ARG 109 5.897 -1.906 -13.801 490 HG3 ARG 109 HG3 ARG 109 6.727 -3.162 -14.727 491 HD2 ARG 109 HD2 ARG 109 6.063 -2.093 -16.839 492 HD3 ARG 109 HD3 ARG 109 5.206 -0.835 -15.951 493 HE ARG 109 HE ARG 109 8.183 -1.329 -15.834 494 HH11 ARG 109 HH11 ARG 109 5.583 0.998 -15.458 495 HH12 ARG 109 HH12 ARG 109 6.684 2.334 -15.309 496 HH21 ARG 109 HH21 ARG 109 9.535 0.429 -15.730 497 HH22 ARG 109 HH22 ARG 109 8.855 2.005 -15.437 498 H TYR 110 H TYR 110 3.623 -6.489 -14.819 499 HA TYR 110 HA TYR 110 1.022 -6.629 -13.354 500 HB2 TYR 110 HB2 TYR 110 1.548 -7.140 -16.303 501 HB3 TYR 110 HB3 TYR 110 0.134 -7.677 -15.422 502 HD1 TYR 110 HD2 TYR 110 -1.540 -6.127 -14.518 503 HD2 TYR 110 HD1 TYR 110 1.700 -4.822 -17.053 504 HE1 TYR 110 HE2 TYR 110 -2.851 -4.107 -15.150 505 HE2 TYR 110 HE1 TYR 110 0.409 -2.775 -17.647 506 HH TYR 110 HH TYR 110 -1.553 -1.592 -17.362 507 HA PRO 111 HA PRO 111 3.626 -10.414 -12.703 508 HB2 PRO 111 HB2 PRO 111 2.913 -10.973 -10.115 509 HB3 PRO 111 HB3 PRO 111 4.128 -9.739 -10.561 510 HG2 PRO 111 HG2 PRO 111 1.186 -9.310 -9.946 511 HG3 PRO 111 HG3 PRO 111 2.595 -8.430 -9.270 512 HD2 PRO 111 HD2 PRO 111 1.170 -7.434 -11.348 513 HD3 PRO 111 HD3 PRO 111 2.952 -7.260 -11.302 514 H HIS 112 H HIS 112 0.157 -9.959 -12.577 515 HA HIS 112 HA HIS 112 -0.596 -12.680 -12.087 516 HB2 HIS 112 HB2 HIS 112 -2.768 -11.993 -12.556 517 HB3 HIS 112 HB3 HIS 112 -2.013 -10.590 -11.815 518 HD2 HIS 112 HD2 HIS 112 -3.713 -11.803 -14.963 519 HE1 HIS 112 HE1 HIS 112 -2.334 -7.890 -15.920 520 HE2 HIS 112 HE2 HIS 112 -3.761 -9.860 -16.727 521 H LEU 113 H LEU 113 0.815 -11.333 -14.946 522 HA LEU 113 HA LEU 113 -0.424 -13.163 -16.838 523 HB2 LEU 113 HB2 LEU 113 2.107 -11.473 -17.053 524 HB3 LEU 113 HB3 LEU 113 1.495 -12.498 -18.331 525 HG LEU 113 HG LEU 113 0.834 -10.353 -18.950 526 HD11 LEU 113 HD11 LEU 113 -1.654 -11.397 -17.541 527 HD12 LEU 113 HD12 LEU 113 -1.577 -10.385 -18.991 528 HD13 LEU 113 HD13 LEU 113 -1.034 -12.076 -19.056 529 HD21 LEU 113 HD21 LEU 113 1.265 -9.186 -17.007 530 HD22 LEU 113 HD22 LEU 113 -0.359 -8.777 -17.589 531 HD23 LEU 113 HD23 LEU 113 -0.166 -9.854 -16.187 532 H ARG 114 H ARG 114 1.804 -13.767 -14.362 533 HA ARG 114 HA ARG 114 2.521 -16.378 -15.603 534 HB2 ARG 114 HB2 ARG 114 4.071 -14.600 -13.718 535 HB3 ARG 114 HB3 ARG 114 4.288 -16.348 -13.633 536 HG2 ARG 114 HG2 ARG 114 4.549 -14.822 -16.235 537 HG3 ARG 114 HG3 ARG 114 5.916 -15.060 -15.144 538 HD2 ARG 114 HD2 ARG 114 5.798 -17.473 -15.407 539 HD3 ARG 114 HD3 ARG 114 4.270 -17.365 -16.268 540 HE ARG 114 HE ARG 114 5.321 -16.777 -18.218 541 HH11 ARG 114 HH11 ARG 114 7.777 -16.689 -15.709 542 HH12 ARG 114 HH12 ARG 114 9.073 -16.621 -16.870 543 HH21 ARG 114 HH21 ARG 114 7.021 -16.724 -19.623 544 HH22 ARG 114 HH22 ARG 114 8.651 -16.634 -19.024
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