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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
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5091 |
1gd5 ![]() ![]() |
cing | recoord | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1H GLY 1 4.656 -0.685 0.076 2 2H GLY 1 2H GLY 1 3.372 -1.147 -0.862 3 3H GLY 1 3H GLY 1 4.297 0.126 -1.324 4 1HA GLY 1 1HA GLY 1 2.586 0.026 1.054 5 2HA GLY 1 2HA GLY 1 3.595 1.405 0.564 6 H SER 2 H SER 2 1.047 2.103 0.817 7 HA SER 2 HA SER 2 0.171 2.657 -1.902 8 1HB SER 2 1HB SER 2 -1.705 1.228 0.048 9 2HB SER 2 2HB SER 2 -2.095 1.786 -1.589 10 HG SER 2 HG SER 2 -0.140 0.328 -2.100 11 H MET 3 H MET 3 -1.737 4.253 -1.785 12 HA MET 3 HA MET 3 -1.067 6.300 0.081 13 1HB MET 3 1HB MET 3 -1.843 6.608 -2.275 14 2HB MET 3 2HB MET 3 -3.454 6.083 -1.772 15 1HG MET 3 1HG MET 3 -3.541 8.060 -0.200 16 2HG MET 3 2HG MET 3 -1.929 8.531 -0.748 17 1HE MET 3 1HE MET 3 -5.047 7.190 -2.901 18 2HE MET 3 2HE MET 3 -5.697 8.218 -1.600 19 3HE MET 3 3HE MET 3 -5.770 8.760 -3.291 20 H GLY 4 H GLY 4 -2.199 6.820 2.078 21 1HA GLY 4 1HA GLY 4 -4.860 6.033 2.709 22 2HA GLY 4 2HA GLY 4 -3.692 4.930 3.499 23 H ASP 5 H ASP 5 -3.650 8.316 2.640 24 HA ASP 5 HA ASP 5 -4.179 9.386 5.132 25 1HB ASP 5 1HB ASP 5 -1.655 8.432 5.490 26 2HB ASP 5 2HB ASP 5 -1.155 9.684 4.385 27 H THR 6 H THR 6 -2.391 9.661 2.099 28 HA THR 6 HA THR 6 -2.134 11.129 0.474 29 HB THR 6 HB THR 6 -4.403 10.260 0.140 30 HG1 THR 6 HG1 THR 6 -4.724 11.654 -1.514 31 1HG2 THR 6 1HG2 THR 6 -6.155 12.026 0.349 32 2HG2 THR 6 2HG2 THR 6 -5.608 11.251 1.872 33 3HG2 THR 6 3HG2 THR 6 -5.081 12.897 1.461 34 H PHE 7 H PHE 7 -3.522 13.571 0.040 35 HA PHE 7 HA PHE 7 -2.082 15.381 1.952 36 1HB PHE 7 1HB PHE 7 -1.732 15.477 -1.002 37 2HB PHE 7 2HB PHE 7 -0.791 16.263 0.226 38 HD1 PHE 7 HD1 PHE 7 -1.295 12.949 -1.592 39 HD2 PHE 7 HD2 PHE 7 0.586 14.579 2.003 40 HE1 PHE 7 HE1 PHE 7 0.083 10.998 -1.378 41 HE2 PHE 7 HE2 PHE 7 1.926 12.596 2.152 42 HZ PHE 7 HZ PHE 7 1.719 10.778 0.476 43 H ILE 8 H ILE 8 -2.356 17.768 1.298 44 HA ILE 8 HA ILE 8 -5.264 18.122 1.221 45 HB ILE 8 HB ILE 8 -3.079 20.055 2.148 46 1HG1 ILE 8 1HG1 ILE 8 -2.964 17.996 3.514 47 2HG1 ILE 8 2HG1 ILE 8 -3.467 19.401 4.418 48 1HG2 ILE 8 1HG2 ILE 8 -4.997 20.981 3.546 49 2HG2 ILE 8 2HG2 ILE 8 -4.979 21.334 1.822 50 3HG2 ILE 8 3HG2 ILE 8 -6.084 20.092 2.452 51 1HD1 ILE 8 1HD1 ILE 8 -5.291 17.192 3.413 52 2HD1 ILE 8 2HD1 ILE 8 -4.849 17.532 5.099 53 3HD1 ILE 8 3HD1 ILE 8 -5.871 18.663 4.209 54 H ARG 9 H ARG 9 -6.296 19.878 0.031 55 HA ARG 9 HA ARG 9 -4.724 20.792 -2.298 56 1HB ARG 9 1HB ARG 9 -7.337 19.861 -2.176 57 2HB ARG 9 2HB ARG 9 -7.688 21.537 -1.866 58 1HG ARG 9 1HG ARG 9 -6.039 20.556 -4.251 59 2HG ARG 9 2HG ARG 9 -7.792 20.723 -4.253 60 1HD ARG 9 1HD ARG 9 -6.845 22.635 -5.330 61 2HD ARG 9 2HD ARG 9 -7.613 23.142 -3.811 62 HE ARG 9 HE ARG 9 -4.882 22.632 -3.281 63 1HH1 ARG 9 1HH1 ARG 9 -6.685 24.935 -5.269 64 2HH1 ARG 9 2HH1 ARG 9 -5.620 26.267 -4.909 65 1HH2 ARG 9 1HH2 ARG 9 -3.650 24.363 -2.647 66 2HH2 ARG 9 2HH2 ARG 9 -3.774 25.911 -3.455 67 H HIS 10 H HIS 10 -6.971 22.109 0.178 68 HA HIS 10 HA HIS 10 -5.199 23.960 1.303 69 1HB HIS 10 1HB HIS 10 -5.648 25.963 0.141 70 2HB HIS 10 2HB HIS 10 -5.825 24.924 -1.226 71 HD1 HIS 10 HD1 HIS 10 -8.616 23.854 -1.067 72 HD2 HIS 10 HD2 HIS 10 -7.694 27.824 -0.101 73 HE1 HIS 10 HE1 HIS 10 -10.758 25.241 -1.299 74 H ILE 11 H ILE 11 -6.573 25.877 2.344 75 HA ILE 11 HA ILE 11 -8.873 24.627 3.651 76 HB ILE 11 HB ILE 11 -7.274 26.816 4.943 77 1HG1 ILE 11 1HG1 ILE 11 -6.029 25.117 6.239 78 2HG1 ILE 11 2HG1 ILE 11 -6.553 23.864 5.074 79 1HG2 ILE 11 1HG2 ILE 11 -8.918 24.486 6.020 80 2HG2 ILE 11 2HG2 ILE 11 -8.118 25.731 7.001 81 3HG2 ILE 11 3HG2 ILE 11 -9.435 26.179 5.920 82 1HD1 ILE 11 1HD1 ILE 11 -4.190 25.138 4.999 83 2HD1 ILE 11 2HD1 ILE 11 -4.993 24.594 3.525 84 3HD1 ILE 11 3HD1 ILE 11 -5.187 26.285 4.062 85 H ALA 12 H ALA 12 -10.736 26.010 4.168 86 HA ALA 12 HA ALA 12 -10.732 28.753 3.129 87 1HB ALA 12 1HB ALA 12 -11.598 27.437 1.242 88 2HB ALA 12 2HB ALA 12 -12.710 26.564 2.326 89 3HB ALA 12 3HB ALA 12 -12.925 28.305 2.042 90 H LEU 13 H LEU 13 -11.777 29.880 4.921 91 HA LEU 13 HA LEU 13 -12.854 28.137 6.935 92 1HB LEU 13 1HB LEU 13 -11.136 29.805 7.369 93 2HB LEU 13 2HB LEU 13 -12.307 31.071 7.068 94 HG LEU 13 HG LEU 13 -11.958 29.092 9.452 95 1HD1 LEU 13 1HD1 LEU 13 -10.406 30.801 9.461 96 2HD1 LEU 13 2HD1 LEU 13 -11.607 32.036 9.014 97 3HD1 LEU 13 3HD1 LEU 13 -11.684 31.291 10.605 98 1HD2 LEU 13 1HD2 LEU 13 -13.602 30.231 10.770 99 2HD2 LEU 13 2HD2 LEU 13 -14.194 31.122 9.360 100 3HD2 LEU 13 3HD2 LEU 13 -14.339 29.336 9.475 101 H LEU 14 H LEU 14 -15.083 28.443 7.779 102 HA LEU 14 HA LEU 14 -16.830 29.873 5.799 103 1HB LEU 14 1HB LEU 14 -17.011 27.220 6.983 104 2HB LEU 14 2HB LEU 14 -18.097 28.124 7.919 105 HG LEU 14 HG LEU 14 -19.092 29.084 5.718 106 1HD1 LEU 14 1HD1 LEU 14 -17.611 26.737 4.442 107 2HD1 LEU 14 2HD1 LEU 14 -18.765 27.791 3.643 108 3HD1 LEU 14 3HD1 LEU 14 -17.202 28.421 4.163 109 1HD2 LEU 14 1HD2 LEU 14 -19.373 26.114 6.286 110 2HD2 LEU 14 2HD2 LEU 14 -20.276 27.437 7.043 111 3HD2 LEU 14 3HD2 LEU 14 -20.492 27.093 5.317 112 H GLY 15 H GLY 15 -16.356 29.356 9.247 113 1HA GLY 15 1HA GLY 15 -16.499 32.071 9.927 114 2HA GLY 15 2HA GLY 15 -18.197 31.626 9.780 115 H PHE 16 H PHE 16 -19.121 31.376 11.625 116 HA PHE 16 HA PHE 16 -17.639 30.934 14.082 117 1HB PHE 16 1HB PHE 16 -20.584 31.325 13.635 118 2HB PHE 16 2HB PHE 16 -19.727 31.547 15.123 119 HD1 PHE 16 HD1 PHE 16 -20.980 33.427 12.213 120 HD2 PHE 16 HD2 PHE 16 -17.572 33.442 14.962 121 HE1 PHE 16 HE1 PHE 16 -20.492 35.703 11.666 122 HE2 PHE 16 HE2 PHE 16 -17.153 35.719 14.358 123 HZ PHE 16 HZ PHE 16 -18.587 36.896 12.713 124 H GLU 17 H GLU 17 -19.097 29.640 15.750 125 HA GLU 17 HA GLU 17 -20.754 27.556 15.120 126 1HB GLU 17 1HB GLU 17 -19.039 26.311 14.102 127 2HB GLU 17 2HB GLU 17 -17.876 26.701 15.353 128 1HG GLU 17 1HG GLU 17 -18.516 24.391 15.494 129 2HG GLU 17 2HG GLU 17 -19.184 25.172 16.915 130 H LYS 18 H LYS 18 -21.303 26.326 17.153 131 HA LYS 18 HA LYS 18 -20.806 27.814 19.592 132 1HB LYS 18 1HB LYS 18 -23.337 26.321 19.301 133 2HB LYS 18 2HB LYS 18 -23.008 27.870 20.056 134 1HG LYS 18 1HG LYS 18 -23.265 27.288 17.080 135 2HG LYS 18 2HG LYS 18 -24.558 27.850 18.134 136 1HD LYS 18 1HD LYS 18 -23.659 29.968 18.448 137 2HD LYS 18 2HD LYS 18 -22.029 29.501 17.922 138 1HE LYS 18 1HE LYS 18 -22.852 29.211 15.605 139 2HE LYS 18 2HE LYS 18 -24.493 29.643 16.121 140 1HZ LYS 18 1HZ LYS 18 -23.686 31.804 16.713 141 2HZ LYS 18 2HZ LYS 18 -22.145 31.408 16.289 142 3HZ LYS 18 3HZ LYS 18 -23.324 31.485 15.141 143 H ARG 19 H ARG 19 -19.349 26.386 20.647 144 HA ARG 19 HA ARG 19 -20.207 23.601 21.141 145 1HB ARG 19 1HB ARG 19 -17.907 24.149 19.841 146 2HB ARG 19 2HB ARG 19 -17.339 24.430 21.487 147 1HG ARG 19 1HG ARG 19 -16.911 22.190 21.380 148 2HG ARG 19 2HG ARG 19 -18.601 22.052 21.886 149 1HD ARG 19 1HD ARG 19 -17.497 21.962 19.069 150 2HD ARG 19 2HD ARG 19 -18.099 20.562 19.978 151 HE ARG 19 HE ARG 19 -20.301 22.043 20.006 152 1HH1 ARG 19 1HH1 ARG 19 -18.212 21.204 17.228 153 2HH1 ARG 19 2HH1 ARG 19 -19.381 21.856 16.082 154 1HH2 ARG 19 1HH2 ARG 19 -21.667 23.018 18.443 155 2HH2 ARG 19 2HH2 ARG 19 -21.361 22.706 16.747 156 H PHE 20 H PHE 20 -21.330 23.756 23.026 157 HA PHE 20 HA PHE 20 -20.491 25.717 24.929 158 1HB PHE 20 1HB PHE 20 -22.519 23.393 25.212 159 2HB PHE 20 2HB PHE 20 -22.817 24.900 25.937 160 HD1 PHE 20 HD1 PHE 20 -23.596 22.799 22.893 161 HD2 PHE 20 HD2 PHE 20 -23.229 27.053 23.942 162 HE1 PHE 20 HE1 PHE 20 -24.863 23.430 21.012 163 HE2 PHE 20 HE2 PHE 20 -24.515 27.578 22.028 164 HZ PHE 20 HZ PHE 20 -25.373 25.803 20.522 165 H VAL 21 H VAL 21 -19.653 22.532 24.209 166 HA VAL 21 HA VAL 21 -18.894 21.945 26.897 167 HB VAL 21 HB VAL 21 -19.541 19.411 25.619 168 1HG1 VAL 21 1HG1 VAL 21 -20.341 20.300 27.886 169 2HG1 VAL 21 2HG1 VAL 21 -21.459 21.362 26.998 170 3HG1 VAL 21 3HG1 VAL 21 -21.649 19.596 26.893 171 1HG2 VAL 21 1HG2 VAL 21 -20.162 20.545 23.667 172 2HG2 VAL 21 2HG2 VAL 21 -21.371 19.487 24.446 173 3HG2 VAL 21 3HG2 VAL 21 -21.552 21.253 24.570 174 HA PRO 22 HA PRO 22 -17.810 19.646 27.436 175 1HB PRO 22 1HB PRO 22 -15.451 18.826 28.456 176 2HB PRO 22 2HB PRO 22 -16.198 18.054 27.029 177 1HG PRO 22 1HG PRO 22 -14.011 20.135 27.068 178 2HG PRO 22 2HG PRO 22 -14.083 18.625 26.112 179 1HD PRO 22 1HD PRO 22 -14.833 21.152 25.234 180 2HD PRO 22 2HD PRO 22 -15.468 19.650 24.499 181 H SER 23 H SER 23 -16.445 22.553 26.786 182 HA SER 23 HA SER 23 -16.826 23.625 29.420 183 1HB SER 23 1HB SER 23 -14.152 23.741 27.812 184 2HB SER 23 2HB SER 23 -14.509 24.981 29.002 185 HG SER 23 HG SER 23 -14.745 22.242 29.660 186 H GLN 24 H GLN 24 -16.875 26.169 29.182 187 HA GLN 24 HA GLN 24 -18.678 26.639 27.039 188 1HB GLN 24 1HB GLN 24 -17.528 28.676 28.897 189 2HB GLN 24 2HB GLN 24 -19.045 28.670 28.030 190 1HG GLN 24 1HG GLN 24 -18.481 26.780 30.506 191 2HG GLN 24 2HG GLN 24 -19.710 27.997 30.457 192 1HE2 GLN 24 1HE2 GLN 24 -18.963 24.785 29.890 193 2HE2 GLN 24 2HE2 GLN 24 -20.330 24.361 28.872 194 H HIS 25 H HIS 25 -17.821 27.183 24.869 195 HA HIS 25 HA HIS 25 -16.241 29.510 24.716 196 1HB HIS 25 1HB HIS 25 -14.501 27.848 23.373 197 2HB HIS 25 2HB HIS 25 -14.240 28.205 25.110 198 HD1 HIS 25 HD1 HIS 25 -16.095 25.733 22.832 199 HD2 HIS 25 HD2 HIS 25 -13.669 25.708 26.238 200 HE1 HIS 25 HE1 HIS 25 -15.749 23.338 23.438 201 H TYR 26 H TYR 26 -17.011 30.451 22.616 202 HA TYR 26 HA TYR 26 -18.174 28.499 20.799 203 1HB TYR 26 1HB TYR 26 -17.778 31.487 20.655 204 2HB TYR 26 2HB TYR 26 -18.081 30.622 19.200 205 HD1 TYR 26 HD1 TYR 26 -19.936 29.072 22.142 206 HD2 TYR 26 HD2 TYR 26 -20.347 32.122 19.014 207 HE1 TYR 26 HE1 TYR 26 -22.269 29.179 22.494 208 HE2 TYR 26 HE2 TYR 26 -22.689 32.167 19.443 209 HH TYR 26 HH TYR 26 -24.439 31.426 20.775 210 H VAL 27 H VAL 27 -17.525 28.174 18.558 211 HA VAL 27 HA VAL 27 -14.556 28.276 18.232 212 HB VAL 27 HB VAL 27 -14.517 25.891 17.768 213 1HG1 VAL 27 1HG1 VAL 27 -16.193 26.194 20.253 214 2HG1 VAL 27 2HG1 VAL 27 -15.053 24.911 19.870 215 3HG1 VAL 27 3HG1 VAL 27 -14.453 26.554 20.171 216 1HG2 VAL 27 1HG2 VAL 27 -17.507 25.907 18.084 217 2HG2 VAL 27 2HG2 VAL 27 -16.565 25.541 16.603 218 3HG2 VAL 27 3HG2 VAL 27 -16.494 24.447 17.976 219 H TYR 28 H TYR 28 -14.017 27.479 15.791 220 HA TYR 28 HA TYR 28 -15.875 28.955 14.174 221 1HB TYR 28 1HB TYR 28 -13.488 28.772 12.713 222 2HB TYR 28 2HB TYR 28 -14.256 30.129 13.523 223 HD1 TYR 28 HD1 TYR 28 -11.921 27.366 14.362 224 HD2 TYR 28 HD2 TYR 28 -13.089 31.455 14.928 225 HE1 TYR 28 HE1 TYR 28 -9.975 27.701 15.872 226 HE2 TYR 28 HE2 TYR 28 -11.128 31.813 16.426 227 HH TYR 28 HH TYR 28 -9.249 30.914 17.314 228 H MET 29 H MET 29 -16.868 28.106 12.448 229 HA MET 29 HA MET 29 -16.524 25.287 11.915 230 1HB MET 29 1HB MET 29 -18.613 26.341 11.970 231 2HB MET 29 2HB MET 29 -18.284 27.343 10.535 232 1HG MET 29 1HG MET 29 -19.011 24.428 10.877 233 2HG MET 29 2HG MET 29 -19.809 25.692 9.957 234 1HE MET 29 1HE MET 29 -16.806 23.428 10.258 235 2HE MET 29 2HE MET 29 -18.179 22.494 9.631 236 3HE MET 29 3HE MET 29 -16.735 22.727 8.624 237 H PHE 30 H PHE 30 -14.723 24.614 10.588 238 HA PHE 30 HA PHE 30 -13.820 26.404 8.534 239 1HB PHE 30 1HB PHE 30 -12.520 24.289 10.296 240 2HB PHE 30 2HB PHE 30 -11.915 24.450 8.712 241 HD1 PHE 30 HD1 PHE 30 -12.111 26.684 12.041 242 HD2 PHE 30 HD2 PHE 30 -10.438 26.356 7.979 243 HE1 PHE 30 HE1 PHE 30 -10.542 28.308 12.460 244 HE2 PHE 30 HE2 PHE 30 -8.895 28.038 8.512 245 HZ PHE 30 HZ PHE 30 -8.862 29.053 10.734 246 H LEU 31 H LEU 31 -13.457 25.713 6.275 247 HA LEU 31 HA LEU 31 -14.443 23.041 5.717 248 1HB LEU 31 1HB LEU 31 -14.527 25.662 4.283 249 2HB LEU 31 2HB LEU 31 -14.268 24.234 3.291 250 HG LEU 31 HG LEU 31 -16.625 24.965 3.516 251 1HD1 LEU 31 1HD1 LEU 31 -16.030 22.169 4.519 252 2HD1 LEU 31 2HD1 LEU 31 -17.538 22.739 3.766 253 3HD1 LEU 31 3HD1 LEU 31 -16.024 22.716 2.826 254 1HD2 LEU 31 1HD2 LEU 31 -17.886 24.628 5.528 255 2HD2 LEU 31 2HD2 LEU 31 -16.559 23.785 6.335 256 3HD2 LEU 31 3HD2 LEU 31 -16.421 25.511 6.005 257 H VAL 32 H VAL 32 -12.944 21.411 5.280 258 HA VAL 32 HA VAL 32 -10.319 22.376 4.399 259 HB VAL 32 HB VAL 32 -9.794 21.227 6.137 260 1HG1 VAL 32 1HG1 VAL 32 -10.655 19.047 6.881 261 2HG1 VAL 32 2HG1 VAL 32 -11.936 20.269 6.809 262 3HG1 VAL 32 3HG1 VAL 32 -11.800 19.043 5.523 263 1HG2 VAL 32 1HG2 VAL 32 -8.768 19.087 5.396 264 2HG2 VAL 32 2HG2 VAL 32 -9.703 19.166 3.909 265 3HG2 VAL 32 3HG2 VAL 32 -8.505 20.426 4.256 266 H LYS 33 H LYS 33 -9.677 21.880 2.277 267 HA LYS 33 HA LYS 33 -11.663 20.375 0.691 268 1HB LYS 33 1HB LYS 33 -11.480 22.711 0.108 269 2HB LYS 33 2HB LYS 33 -9.768 22.482 -0.286 270 1HG LYS 33 1HG LYS 33 -10.290 20.899 -2.044 271 2HG LYS 33 2HG LYS 33 -11.983 20.798 -1.557 272 1HD LYS 33 1HD LYS 33 -10.674 23.306 -2.688 273 2HD LYS 33 2HD LYS 33 -11.574 22.108 -3.629 274 1HE LYS 33 1HE LYS 33 -13.599 22.499 -2.223 275 2HE LYS 33 2HE LYS 33 -12.746 23.784 -1.354 276 1HZ LYS 33 1HZ LYS 33 -12.521 24.954 -3.426 277 2HZ LYS 33 2HZ LYS 33 -13.337 23.765 -4.226 278 3HZ LYS 33 3HZ LYS 33 -14.100 24.656 -3.073 279 H TRP 34 H TRP 34 -10.891 18.192 0.391 280 HA TRP 34 HA TRP 34 -7.980 17.923 0.361 281 1HB TRP 34 1HB TRP 34 -10.151 15.856 0.324 282 2HB TRP 34 2HB TRP 34 -8.443 15.549 0.332 283 HD1 TRP 34 HD1 TRP 34 -11.013 17.138 2.740 284 HE1 TRP 34 HE1 TRP 34 -10.199 16.666 5.166 285 HE3 TRP 34 HE3 TRP 34 -6.628 14.882 1.657 286 HZ2 TRP 34 HZ2 TRP 34 -7.877 15.430 6.441 287 HZ3 TRP 34 HZ3 TRP 34 -5.112 14.064 3.462 288 HH2 TRP 34 HH2 TRP 34 -5.752 14.305 5.826 289 H GLN 35 H GLN 35 -6.913 16.938 -1.499 290 HA GLN 35 HA GLN 35 -8.436 17.488 -4.003 291 1HB GLN 35 1HB GLN 35 -6.218 17.500 -5.155 292 2HB GLN 35 2HB GLN 35 -5.761 18.112 -3.582 293 1HG GLN 35 1HG GLN 35 -5.501 15.202 -4.463 294 2HG GLN 35 2HG GLN 35 -4.269 16.451 -4.533 295 1HE2 GLN 35 1HE2 GLN 35 -6.042 14.310 -2.359 296 2HE2 GLN 35 2HE2 GLN 35 -5.154 14.774 -0.914 297 H ASP 36 H ASP 36 -8.300 14.903 -2.047 298 HA ASP 36 HA ASP 36 -9.001 13.056 -4.236 299 1HB ASP 36 1HB ASP 36 -6.686 12.448 -3.169 300 2HB ASP 36 2HB ASP 36 -7.406 12.538 -1.580 301 H LEU 37 H LEU 37 -9.218 13.391 -0.681 302 HA LEU 37 HA LEU 37 -11.728 12.025 -0.497 303 1HB LEU 37 1HB LEU 37 -10.390 13.918 1.360 304 2HB LEU 37 2HB LEU 37 -11.918 13.126 1.680 305 HG LEU 37 HG LEU 37 -10.678 10.793 1.584 306 1HD1 LEU 37 1HD1 LEU 37 -8.752 11.419 0.226 307 2HD1 LEU 37 2HD1 LEU 37 -8.288 12.670 1.407 308 3HD1 LEU 37 3HD1 LEU 37 -8.229 10.945 1.841 309 1HD2 LEU 37 1HD2 LEU 37 -9.772 12.769 3.602 310 2HD2 LEU 37 2HD2 LEU 37 -11.299 11.830 3.591 311 3HD2 LEU 37 3HD2 LEU 37 -9.745 10.978 3.679 312 H SER 38 H SER 38 -11.074 15.146 -1.756 313 HA SER 38 HA SER 38 -12.475 16.874 -2.469 314 1HB SER 38 1HB SER 38 -13.969 14.730 -3.158 315 2HB SER 38 2HB SER 38 -14.928 15.113 -1.744 316 HG SER 38 HG SER 38 -14.386 16.799 -3.950 317 H GLU 39 H GLU 39 -15.056 17.521 -1.412 318 HA GLU 39 HA GLU 39 -14.109 19.173 0.575 319 1HB GLU 39 1HB GLU 39 -16.752 19.796 0.813 320 2HB GLU 39 2HB GLU 39 -16.199 19.825 -0.851 321 1HG GLU 39 1HG GLU 39 -17.084 17.552 -1.202 322 2HG GLU 39 2HG GLU 39 -17.622 17.506 0.485 323 H LYS 40 H LYS 40 -14.176 19.220 2.865 324 HA LYS 40 HA LYS 40 -15.676 17.154 4.239 325 1HB LYS 40 1HB LYS 40 -12.637 17.357 4.361 326 2HB LYS 40 2HB LYS 40 -13.588 16.553 5.612 327 1HG LYS 40 1HG LYS 40 -13.522 15.722 2.683 328 2HG LYS 40 2HG LYS 40 -12.549 15.000 3.952 329 1HD LYS 40 1HD LYS 40 -14.371 14.081 5.114 330 2HD LYS 40 2HD LYS 40 -15.572 15.054 4.278 331 1HE LYS 40 1HE LYS 40 -13.981 12.802 3.002 332 2HE LYS 40 2HE LYS 40 -15.669 12.769 3.532 333 1HZ LYS 40 1HZ LYS 40 -15.899 13.252 1.351 334 2HZ LYS 40 2HZ LYS 40 -15.842 14.800 1.946 335 3HZ LYS 40 3HZ LYS 40 -14.522 14.132 1.243 336 H VAL 41 H VAL 41 -16.234 17.926 6.401 337 HA VAL 41 HA VAL 41 -15.542 20.740 6.758 338 HB VAL 41 HB VAL 41 -17.634 21.163 7.362 339 1HG1 VAL 41 1HG1 VAL 41 -17.485 20.367 4.989 340 2HG1 VAL 41 2HG1 VAL 41 -18.141 18.808 5.512 341 3HG1 VAL 41 3HG1 VAL 41 -19.102 20.284 5.696 342 1HG2 VAL 41 1HG2 VAL 41 -18.021 18.264 8.129 343 2HG2 VAL 41 2HG2 VAL 41 -17.891 19.668 9.218 344 3HG2 VAL 41 3HG2 VAL 41 -19.295 19.515 8.155 345 H VAL 42 H VAL 42 -14.886 21.501 8.896 346 HA VAL 42 HA VAL 42 -14.813 19.485 10.977 347 HB VAL 42 HB VAL 42 -12.500 19.626 11.457 348 1HG1 VAL 42 1HG1 VAL 42 -12.798 18.926 8.511 349 2HG1 VAL 42 2HG1 VAL 42 -11.433 18.484 9.520 350 3HG1 VAL 42 3HG1 VAL 42 -13.037 17.847 9.905 351 1HG2 VAL 42 1HG2 VAL 42 -11.899 21.883 10.789 352 2HG2 VAL 42 2HG2 VAL 42 -10.818 20.738 9.998 353 3HG2 VAL 42 3HG2 VAL 42 -12.138 21.480 9.073 354 H TYR 43 H TYR 43 -14.413 20.412 13.127 355 HA TYR 43 HA TYR 43 -15.222 23.198 13.267 356 1HB TYR 43 1HB TYR 43 -15.290 21.198 15.409 357 2HB TYR 43 2HB TYR 43 -16.238 22.624 15.228 358 HD1 TYR 43 HD1 TYR 43 -15.878 19.164 13.174 359 HD2 TYR 43 HD2 TYR 43 -18.615 22.387 14.262 360 HE1 TYR 43 HE1 TYR 43 -17.641 18.113 12.053 361 HE2 TYR 43 HE2 TYR 43 -20.339 21.260 13.124 362 HH TYR 43 HH TYR 43 -20.960 19.424 11.888 363 H ARG 44 H ARG 44 -13.740 24.589 14.340 364 HA ARG 44 HA ARG 44 -11.421 23.282 15.771 365 1HB ARG 44 1HB ARG 44 -11.415 25.333 13.578 366 2HB ARG 44 2HB ARG 44 -10.088 25.279 14.697 367 1HG ARG 44 1HG ARG 44 -10.551 22.563 13.811 368 2HG ARG 44 2HG ARG 44 -10.739 23.598 12.406 369 1HD ARG 44 1HD ARG 44 -8.530 23.399 12.183 370 2HD ARG 44 2HD ARG 44 -8.375 24.613 13.438 371 HE ARG 44 HE ARG 44 -7.638 21.841 13.486 372 1HH1 ARG 44 1HH1 ARG 44 -8.919 24.292 15.676 373 2HH1 ARG 44 2HH1 ARG 44 -8.338 23.511 17.112 374 1HH2 ARG 44 1HH2 ARG 44 -6.582 20.993 15.388 375 2HH2 ARG 44 2HH2 ARG 44 -7.178 21.505 16.944 376 H ARG 45 H ARG 45 -10.461 24.427 17.548 377 HA ARG 45 HA ARG 45 -11.945 26.808 18.466 378 1HB ARG 45 1HB ARG 45 -10.553 25.146 20.488 379 2HB ARG 45 2HB ARG 45 -12.123 25.947 20.568 380 1HG ARG 45 1HG ARG 45 -13.059 24.031 19.172 381 2HG ARG 45 2HG ARG 45 -11.446 23.312 19.202 382 1HD ARG 45 1HD ARG 45 -11.743 23.669 21.860 383 2HD ARG 45 2HD ARG 45 -13.443 23.523 21.424 384 HE ARG 45 HE ARG 45 -11.239 21.580 20.731 385 1HH1 ARG 45 1HH1 ARG 45 -14.700 21.936 21.552 386 2HH1 ARG 45 2HH1 ARG 45 -15.043 20.346 20.904 387 1HH2 ARG 45 1HH2 ARG 45 -11.680 19.581 20.216 388 2HH2 ARG 45 2HH2 ARG 45 -13.264 18.861 20.408 389 H PHE 46 H PHE 46 -10.707 28.167 20.053 390 HA PHE 46 HA PHE 46 -8.254 29.025 18.957 391 1HB PHE 46 1HB PHE 46 -8.205 30.536 20.919 392 2HB PHE 46 2HB PHE 46 -9.600 30.635 19.881 393 HD1 PHE 46 HD1 PHE 46 -8.414 29.877 23.283 394 HD2 PHE 46 HD2 PHE 46 -11.843 29.889 20.650 395 HE1 PHE 46 HE1 PHE 46 -9.929 29.688 25.236 396 HE2 PHE 46 HE2 PHE 46 -13.337 29.704 22.602 397 HZ PHE 46 HZ PHE 46 -12.385 29.599 24.909 398 H THR 47 H THR 47 -8.703 27.656 22.228 399 HA THR 47 HA THR 47 -5.914 27.387 22.737 400 HB THR 47 HB THR 47 -7.663 27.343 24.495 401 HG1 THR 47 HG1 THR 47 -5.861 25.170 24.347 402 1HG2 THR 47 1HG2 THR 47 -8.188 24.481 23.567 403 2HG2 THR 47 2HG2 THR 47 -8.868 25.284 24.994 404 3HG2 THR 47 3HG2 THR 47 -9.313 25.847 23.372 405 H GLU 48 H GLU 48 -7.914 25.412 20.728 406 HA GLU 48 HA GLU 48 -6.113 23.126 20.729 407 1HB GLU 48 1HB GLU 48 -8.507 23.996 18.992 408 2HB GLU 48 2HB GLU 48 -7.346 22.778 18.588 409 1HG GLU 48 1HG GLU 48 -8.100 21.691 20.926 410 2HG GLU 48 2HG GLU 48 -9.532 22.679 20.638 411 H ILE 49 H ILE 49 -6.814 25.926 18.561 412 HA ILE 49 HA ILE 49 -4.798 25.201 16.670 413 HB ILE 49 HB ILE 49 -6.065 27.877 17.260 414 1HG1 ILE 49 1HG1 ILE 49 -6.336 25.736 15.050 415 2HG1 ILE 49 2HG1 ILE 49 -7.490 25.974 16.360 416 1HG2 ILE 49 1HG2 ILE 49 -5.130 28.641 15.134 417 2HG2 ILE 49 2HG2 ILE 49 -3.851 28.279 16.280 418 3HG2 ILE 49 3HG2 ILE 49 -4.224 27.118 14.983 419 1HD1 ILE 49 1HD1 ILE 49 -7.874 28.260 15.515 420 2HD1 ILE 49 2HD1 ILE 49 -6.901 27.824 14.076 421 3HD1 ILE 49 3HD1 ILE 49 -8.403 26.962 14.411 422 H TYR 50 H TYR 50 -4.702 27.084 19.685 423 HA TYR 50 HA TYR 50 -1.902 27.843 19.448 424 1HB TYR 50 1HB TYR 50 -3.448 27.361 22.028 425 2HB TYR 50 2HB TYR 50 -2.079 28.386 21.791 426 HD1 TYR 50 HD1 TYR 50 -4.823 29.372 23.052 427 HD2 TYR 50 HD2 TYR 50 -3.466 29.577 18.900 428 HE1 TYR 50 HE1 TYR 50 -6.285 31.227 22.626 429 HE2 TYR 50 HE2 TYR 50 -4.943 31.420 18.549 430 HH TYR 50 HH TYR 50 -7.153 32.645 21.040 431 H GLU 51 H GLU 51 -3.571 25.120 21.023 432 HA GLU 51 HA GLU 51 -1.167 24.023 22.026 433 1HB GLU 51 1HB GLU 51 -3.354 23.275 22.812 434 2HB GLU 51 2HB GLU 51 -3.603 22.401 21.278 435 1HG GLU 51 1HG GLU 51 -2.853 20.883 23.017 436 2HG GLU 51 2HG GLU 51 -1.571 21.026 21.813 437 H PHE 52 H PHE 52 -2.737 23.612 18.857 438 HA PHE 52 HA PHE 52 -1.037 21.612 17.730 439 1HB PHE 52 1HB PHE 52 -2.893 22.278 16.437 440 2HB PHE 52 2HB PHE 52 -2.504 23.953 16.479 441 HD1 PHE 52 HD1 PHE 52 -0.257 24.853 14.792 442 HD2 PHE 52 HD2 PHE 52 -1.909 20.797 14.746 443 HE1 PHE 52 HE1 PHE 52 0.799 24.361 12.738 444 HE2 PHE 52 HE2 PHE 52 -0.821 20.417 12.666 445 HZ PHE 52 HZ PHE 52 0.559 22.212 11.605 446 H HIS 53 H HIS 53 -0.910 25.116 17.328 447 HA HIS 53 HA HIS 53 1.534 25.183 16.075 448 1HB HIS 53 1HB HIS 53 -0.286 26.961 16.331 449 2HB HIS 53 2HB HIS 53 0.435 27.387 17.896 450 HD1 HIS 53 HD1 HIS 53 1.790 26.431 14.516 451 HD2 HIS 53 HD2 HIS 53 2.112 29.671 17.142 452 HE1 HIS 53 HE1 HIS 53 3.317 27.939 13.447 453 H LYS 54 H LYS 54 0.784 25.364 19.392 454 HA LYS 54 HA LYS 54 3.470 25.823 20.372 455 1HB LYS 54 1HB LYS 54 1.032 24.569 21.640 456 2HB LYS 54 2HB LYS 54 2.596 24.550 22.458 457 1HG LYS 54 1HG LYS 54 2.762 26.961 22.427 458 2HG LYS 54 2HG LYS 54 1.232 27.103 21.535 459 1HD LYS 54 1HD LYS 54 0.012 26.059 23.425 460 2HD LYS 54 2HD LYS 54 1.538 25.735 24.254 461 1HE LYS 54 1HE LYS 54 0.509 27.656 25.289 462 2HE LYS 54 2HE LYS 54 1.984 28.168 24.454 463 1HZ LYS 54 1HZ LYS 54 0.594 28.934 22.643 464 2HZ LYS 54 2HZ LYS 54 -0.764 28.457 23.448 465 3HZ LYS 54 3HZ LYS 54 0.174 29.665 24.057 466 H THR 55 H THR 55 1.705 22.883 19.545 467 HA THR 55 HA THR 55 3.848 21.107 20.445 468 HB THR 55 HB THR 55 1.538 20.583 18.551 469 HG1 THR 55 HG1 THR 55 0.919 21.145 20.706 470 1HG2 THR 55 1HG2 THR 55 1.859 18.218 19.149 471 2HG2 THR 55 2HG2 THR 55 3.146 18.920 18.172 472 3HG2 THR 55 3HG2 THR 55 3.410 18.666 19.916 473 H LEU 56 H LEU 56 3.049 22.622 17.371 474 HA LEU 56 HA LEU 56 5.103 21.276 15.983 475 1HB LEU 56 1HB LEU 56 3.238 22.909 15.019 476 2HB LEU 56 2HB LEU 56 4.283 24.207 15.510 477 HG LEU 56 HG LEU 56 4.305 23.902 13.232 478 1HD1 LEU 56 1HD1 LEU 56 6.634 24.048 12.826 479 2HD1 LEU 56 2HD1 LEU 56 6.304 24.794 14.412 480 3HD1 LEU 56 3HD1 LEU 56 7.018 23.171 14.308 481 1HD2 LEU 56 1HD2 LEU 56 6.114 21.752 12.677 482 2HD2 LEU 56 2HD2 LEU 56 4.900 21.032 13.738 483 3HD2 LEU 56 3HD2 LEU 56 4.422 21.808 12.223 484 H LYS 57 H LYS 57 5.134 24.381 17.731 485 HA LYS 57 HA LYS 57 7.948 24.669 17.354 486 1HB LYS 57 1HB LYS 57 6.279 25.620 19.747 487 2HB LYS 57 2HB LYS 57 7.823 26.282 19.258 488 1HG LYS 57 1HG LYS 57 5.094 26.984 18.431 489 2HG LYS 57 2HG LYS 57 6.552 27.941 18.546 490 1HD LYS 57 1HD LYS 57 6.955 26.383 16.210 491 2HD LYS 57 2HD LYS 57 5.241 26.746 16.196 492 1HE LYS 57 1HE LYS 57 7.504 28.790 16.451 493 2HE LYS 57 2HE LYS 57 6.573 28.458 14.987 494 1HZ LYS 57 1HZ LYS 57 4.639 29.286 16.054 495 2HZ LYS 57 2HZ LYS 57 5.414 29.476 17.496 496 3HZ LYS 57 3HZ LYS 57 5.803 30.425 16.213 497 H GLU 58 H GLU 58 6.273 22.720 19.673 498 HA GLU 58 HA GLU 58 8.558 22.547 21.414 499 1HB GLU 58 1HB GLU 58 5.934 20.910 21.238 500 2HB GLU 58 2HB GLU 58 7.150 20.477 22.362 501 1HG GLU 58 1HG GLU 58 6.261 23.472 22.338 502 2HG GLU 58 2HG GLU 58 5.284 22.318 23.204 503 H MET 59 H MET 59 6.934 20.244 19.121 504 HA MET 59 HA MET 59 8.986 18.308 19.362 505 1HB MET 59 1HB MET 59 7.251 18.908 16.993 506 2HB MET 59 2HB MET 59 8.043 17.392 17.296 507 1HG MET 59 1HG MET 59 6.525 16.925 19.201 508 2HG MET 59 2HG MET 59 5.703 18.455 18.945 509 1HE MET 59 1HE MET 59 5.752 18.301 15.553 510 2HE MET 59 2HE MET 59 4.063 17.833 15.367 511 3HE MET 59 3HE MET 59 4.524 19.088 16.536 512 H PHE 60 H PHE 60 8.407 20.907 16.929 513 HA PHE 60 HA PHE 60 11.019 20.435 15.728 514 1HB PHE 60 1HB PHE 60 8.794 22.246 14.964 515 2HB PHE 60 2HB PHE 60 10.290 21.989 14.201 516 HD1 PHE 60 HD1 PHE 60 6.774 20.398 14.654 517 HD2 PHE 60 HD2 PHE 60 10.732 19.584 12.981 518 HE1 PHE 60 HE1 PHE 60 5.934 18.572 13.376 519 HE2 PHE 60 HE2 PHE 60 9.808 17.770 11.762 520 HZ PHE 60 HZ PHE 60 7.392 17.224 11.922 521 HA PRO 61 HA PRO 61 11.481 24.379 18.390 522 1HB PRO 61 1HB PRO 61 14.030 24.298 19.257 523 2HB PRO 61 2HB PRO 61 12.746 23.292 19.993 524 1HG PRO 61 1HG PRO 61 14.779 22.469 17.919 525 2HG PRO 61 2HG PRO 61 14.317 21.598 19.409 526 1HD PRO 61 1HD PRO 61 13.353 21.094 16.922 527 2HD PRO 61 2HD PRO 61 12.362 20.771 18.413 528 H ILE 62 H ILE 62 13.244 23.125 15.708 529 HA ILE 62 HA ILE 62 14.681 25.474 14.918 530 HB ILE 62 HB ILE 62 13.615 23.186 13.282 531 1HG1 ILE 62 1HG1 ILE 62 14.993 22.158 15.004 532 2HG1 ILE 62 2HG1 ILE 62 15.860 22.111 13.472 533 1HG2 ILE 62 1HG2 ILE 62 15.267 23.590 11.665 534 2HG2 ILE 62 2HG2 ILE 62 14.175 24.957 11.880 535 3HG2 ILE 62 3HG2 ILE 62 15.814 25.020 12.593 536 1HD1 ILE 62 1HD1 ILE 62 17.204 24.099 14.188 537 2HD1 ILE 62 2HD1 ILE 62 16.348 24.089 15.749 538 3HD1 ILE 62 3HD1 ILE 62 17.370 22.720 15.288 539 H GLU 63 H GLU 63 11.506 24.004 14.134 540 HA GLU 63 HA GLU 63 10.750 26.011 12.251 541 1HB GLU 63 1HB GLU 63 9.148 24.165 14.003 542 2HB GLU 63 2HB GLU 63 8.483 25.169 12.718 543 1HG GLU 63 1HG GLU 63 8.993 22.613 12.265 544 2HG GLU 63 2HG GLU 63 9.185 23.829 11.037 545 H ALA 64 H ALA 64 11.364 26.242 15.578 546 HA ALA 64 HA ALA 64 9.886 28.750 15.758 547 1HB ALA 64 1HB ALA 64 9.358 28.228 18.125 548 2HB ALA 64 2HB ALA 64 8.838 26.844 17.137 549 3HB ALA 64 3HB ALA 64 10.350 26.751 18.040 550 H GLY 65 H GLY 65 12.613 28.133 14.942 551 1HA GLY 65 1HA GLY 65 13.928 29.989 16.752 552 2HA GLY 65 2HA GLY 65 14.628 28.334 16.649 553 H ALA 66 H ALA 66 14.522 27.656 14.058 554 HA ALA 66 HA ALA 66 16.280 29.662 12.895 555 1HB ALA 66 1HB ALA 66 15.472 27.003 11.698 556 2HB ALA 66 2HB ALA 66 16.860 27.999 11.239 557 3HB ALA 66 3HB ALA 66 16.859 27.181 12.816 558 H ILE 67 H ILE 67 13.073 28.640 12.819 559 HA ILE 67 HA ILE 67 12.558 30.245 10.323 560 HB ILE 67 HB ILE 67 10.778 28.167 11.608 561 1HG1 ILE 67 1HG1 ILE 67 12.911 28.024 9.402 562 2HG1 ILE 67 2HG1 ILE 67 12.810 27.039 10.870 563 1HG2 ILE 67 1HG2 ILE 67 9.493 29.682 10.157 564 2HG2 ILE 67 2HG2 ILE 67 10.694 29.498 8.860 565 3HG2 ILE 67 3HG2 ILE 67 9.649 28.151 9.365 566 1HD1 ILE 67 1HD1 ILE 67 10.747 25.989 9.942 567 2HD1 ILE 67 2HD1 ILE 67 11.101 26.789 8.385 568 3HD1 ILE 67 3HD1 ILE 67 12.251 25.635 9.069 569 H ASN 68 H ASN 68 12.742 30.806 13.438 570 HA ASN 68 HA ASN 68 10.245 32.388 13.559 571 1HB ASN 68 1HB ASN 68 11.940 31.207 15.565 572 2HB ASN 68 2HB ASN 68 11.781 32.933 15.875 573 1HD2 ASN 68 1HD2 ASN 68 9.405 30.634 14.396 574 2HD2 ASN 68 2HD2 ASN 68 8.150 30.961 15.571 575 HA PRO 69 HA PRO 69 12.811 36.160 13.539 576 1HB PRO 69 1HB PRO 69 15.524 36.227 13.033 577 2HB PRO 69 2HB PRO 69 14.873 35.858 14.661 578 1HG PRO 69 1HG PRO 69 15.840 33.910 12.566 579 2HG PRO 69 2HG PRO 69 16.165 33.900 14.318 580 1HD PRO 69 1HD PRO 69 14.189 32.390 13.082 581 2HD PRO 69 2HD PRO 69 14.056 32.947 14.788 582 H GLU 70 H GLU 70 14.280 34.064 11.181 583 HA GLU 70 HA GLU 70 14.218 36.110 9.165 584 1HB GLU 70 1HB GLU 70 14.877 34.163 7.586 585 2HB GLU 70 2HB GLU 70 15.662 33.831 9.078 586 1HG GLU 70 1HG GLU 70 14.643 31.715 8.815 587 2HG GLU 70 2HG GLU 70 13.282 32.417 9.606 588 H ASN 71 H ASN 71 11.969 33.682 10.163 589 HA ASN 71 HA ASN 71 9.953 34.828 8.287 590 1HB ASN 71 1HB ASN 71 10.666 32.059 8.586 591 2HB ASN 71 2HB ASN 71 9.278 32.207 9.603 592 1HD2 ASN 71 1HD2 ASN 71 7.442 31.736 8.683 593 2HD2 ASN 71 2HD2 ASN 71 7.069 31.954 6.974 594 H ARG 72 H ARG 72 10.615 36.250 10.456 595 HA ARG 72 HA ARG 72 8.817 35.909 12.692 596 1HB ARG 72 1HB ARG 72 9.459 38.212 13.267 597 2HB ARG 72 2HB ARG 72 10.849 37.214 12.868 598 1HG ARG 72 1HG ARG 72 10.780 38.236 10.512 599 2HG ARG 72 2HG ARG 72 9.585 39.376 11.120 600 1HD ARG 72 1HD ARG 72 11.126 40.189 12.820 601 2HD ARG 72 2HD ARG 72 12.366 39.038 12.330 602 HE ARG 72 HE ARG 72 11.696 41.558 11.104 603 1HH1 ARG 72 1HH1 ARG 72 12.953 38.324 10.312 604 2HH1 ARG 72 2HH1 ARG 72 13.735 38.849 8.847 605 1HH2 ARG 72 1HH2 ARG 72 12.762 42.241 9.200 606 2HH2 ARG 72 2HH2 ARG 72 13.650 41.104 8.228 607 H ILE 73 H ILE 73 7.075 35.363 10.820 608 HA ILE 73 HA ILE 73 5.069 37.483 10.987 609 HB ILE 73 HB ILE 73 4.412 37.086 8.631 610 1HG1 ILE 73 1HG1 ILE 73 5.921 34.925 8.466 611 2HG1 ILE 73 2HG1 ILE 73 5.540 35.918 7.062 612 1HG2 ILE 73 1HG2 ILE 73 7.126 38.406 8.924 613 2HG2 ILE 73 2HG2 ILE 73 5.961 38.629 7.606 614 3HG2 ILE 73 3HG2 ILE 73 5.542 39.126 9.253 615 1HD1 ILE 73 1HD1 ILE 73 7.727 36.915 7.022 616 2HD1 ILE 73 2HD1 ILE 73 8.139 36.247 8.601 617 3HD1 ILE 73 3HD1 ILE 73 7.929 35.175 7.207 618 H ILE 74 H ILE 74 5.793 34.807 12.202 619 HA ILE 74 HA ILE 74 3.612 33.039 11.327 620 HB ILE 74 HB ILE 74 5.652 32.785 13.560 621 1HG1 ILE 74 1HG1 ILE 74 5.669 31.040 11.105 622 2HG1 ILE 74 2HG1 ILE 74 6.362 32.645 10.981 623 1HG2 ILE 74 1HG2 ILE 74 4.921 30.407 13.650 624 2HG2 ILE 74 2HG2 ILE 74 3.536 31.468 13.950 625 3HG2 ILE 74 3HG2 ILE 74 3.742 30.691 12.371 626 1HD1 ILE 74 1HD1 ILE 74 7.964 32.193 12.771 627 2HD1 ILE 74 2HD1 ILE 74 7.230 30.610 13.095 628 3HD1 ILE 74 3HD1 ILE 74 8.037 30.908 11.558 629 HA PRO 75 HA PRO 75 0.913 35.221 13.989 630 1HB PRO 75 1HB PRO 75 -1.159 33.515 14.510 631 2HB PRO 75 2HB PRO 75 -0.839 34.301 12.938 632 1HG PRO 75 1HG PRO 75 0.102 31.541 13.814 633 2HG PRO 75 2HG PRO 75 -0.818 32.014 12.363 634 1HD PRO 75 1HD PRO 75 1.822 31.756 12.198 635 2HD PRO 75 2HD PRO 75 1.014 33.167 11.432 636 H HIS 76 H HIS 76 2.011 35.543 16.065 637 HA HIS 76 HA HIS 76 1.911 33.389 18.125 638 1HB HIS 76 1HB HIS 76 3.611 35.893 17.803 639 2HB HIS 76 2HB HIS 76 3.695 34.766 19.178 640 HD1 HIS 76 HD1 HIS 76 6.165 35.282 17.380 641 HD2 HIS 76 HD2 HIS 76 3.453 32.143 16.830 642 HE1 HIS 76 HE1 HIS 76 7.373 33.458 16.101 643 H LEU 77 H LEU 77 2.088 35.896 20.059 644 HA LEU 77 HA LEU 77 0.767 37.252 21.165 645 1HB LEU 77 1HB LEU 77 -1.533 36.813 19.220 646 2HB LEU 77 2HB LEU 77 -1.383 38.070 20.415 647 HG LEU 77 HG LEU 77 0.406 37.798 17.964 648 1HD1 LEU 77 1HD1 LEU 77 -0.785 39.807 17.207 649 2HD1 LEU 77 2HD1 LEU 77 -1.912 38.462 17.459 650 3HD1 LEU 77 3HD1 LEU 77 -1.810 39.769 18.659 651 1HD2 LEU 77 1HD2 LEU 77 0.308 39.924 20.153 652 2HD2 LEU 77 2HD2 LEU 77 1.672 38.842 19.790 653 3HD2 LEU 77 3HD2 LEU 77 1.191 40.075 18.620 654 HA PRO 78 HA PRO 78 -1.182 34.271 23.762 655 1HB PRO 78 1HB PRO 78 -2.309 35.794 25.711 656 2HB PRO 78 2HB PRO 78 -0.543 35.757 25.456 657 1HG PRO 78 1HG PRO 78 -2.516 37.790 24.365 658 2HG PRO 78 2HG PRO 78 -1.027 38.115 25.304 659 1HD PRO 78 1HD PRO 78 -1.036 38.200 22.594 660 2HD PRO 78 2HD PRO 78 0.357 37.510 23.474 661 H ALA 79 H ALA 79 -3.398 33.939 24.955 662 HA ALA 79 HA ALA 79 -5.414 33.668 22.955 663 1HB ALA 79 1HB ALA 79 -6.686 32.628 24.870 664 2HB ALA 79 2HB ALA 79 -5.034 32.018 24.713 665 3HB ALA 79 3HB ALA 79 -5.426 33.210 25.968 666 HA PRO 80 HA PRO 80 -7.710 37.419 23.477 667 1HB PRO 80 1HB PRO 80 -10.233 36.740 22.754 668 2HB PRO 80 2HB PRO 80 -8.857 36.536 21.642 669 1HG PRO 80 1HG PRO 80 -9.967 34.398 23.494 670 2HG PRO 80 2HG PRO 80 -9.831 34.308 21.714 671 1HD PRO 80 1HD PRO 80 -7.857 33.325 23.186 672 2HD PRO 80 2HD PRO 80 -7.449 34.394 21.806 673 H LYS 81 H LYS 81 -7.127 36.887 25.999 674 HA LYS 81 HA LYS 81 -9.551 37.682 27.407 675 1HB LYS 81 1HB LYS 81 -9.420 35.917 29.122 676 2HB LYS 81 2HB LYS 81 -9.674 35.233 27.518 677 1HG LYS 81 1HG LYS 81 -8.159 33.804 28.557 678 2HG LYS 81 2HG LYS 81 -7.183 34.721 27.406 679 1HD LYS 81 1HD LYS 81 -6.273 36.093 29.236 680 2HD LYS 81 2HD LYS 81 -7.427 35.386 30.382 681 1HE LYS 81 1HE LYS 81 -6.335 33.185 30.116 682 2HE LYS 81 2HE LYS 81 -5.230 33.864 28.906 683 1HZ LYS 81 1HZ LYS 81 -5.403 34.697 31.722 684 2HZ LYS 81 2HZ LYS 81 -4.226 33.751 31.069 685 3HZ LYS 81 3HZ LYS 81 -4.372 35.324 30.603 686 H TRP 82 H TRP 82 -6.653 38.521 26.756 687 HA TRP 82 HA TRP 82 -5.768 39.329 29.472 688 1HB TRP 82 1HB TRP 82 -4.547 39.493 26.696 689 2HB TRP 82 2HB TRP 82 -3.865 40.293 28.108 690 HD1 TRP 82 HD1 TRP 82 -4.884 36.667 27.187 691 HE1 TRP 82 HE1 TRP 82 -3.117 35.041 28.139 692 HE3 TRP 82 HE3 TRP 82 -1.836 40.040 29.546 693 HZ2 TRP 82 HZ2 TRP 82 -0.734 35.186 29.698 694 HZ3 TRP 82 HZ3 TRP 82 0.175 39.258 30.754 695 HH2 TRP 82 HH2 TRP 82 0.738 36.842 30.836 696 H PHE 83 H PHE 83 -7.361 40.474 26.558 697 HA PHE 83 HA PHE 83 -7.666 43.193 27.740 698 1HB PHE 83 1HB PHE 83 -7.316 42.577 24.803 699 2HB PHE 83 2HB PHE 83 -7.307 44.158 25.586 700 HD1 PHE 83 HD1 PHE 83 -5.334 44.830 27.022 701 HD2 PHE 83 HD2 PHE 83 -5.308 41.245 24.622 702 HE1 PHE 83 HE1 PHE 83 -2.863 44.720 27.201 703 HE2 PHE 83 HE2 PHE 83 -2.839 41.142 24.805 704 HZ PHE 83 HZ PHE 83 -1.612 42.878 26.094 705 H ASP 84 H ASP 84 -9.437 40.904 27.932 706 HA ASP 84 HA ASP 84 -11.466 40.335 26.400 707 1HB ASP 84 1HB ASP 84 -11.258 39.809 28.924 708 2HB ASP 84 2HB ASP 84 -11.882 41.405 29.283 709 H GLY 85 H GLY 85 -11.967 41.891 24.780 710 1HA GLY 85 1HA GLY 85 -14.207 43.456 24.979 711 2HA GLY 85 2HA GLY 85 -12.806 44.540 25.206 712 H GLN 86 H GLN 86 -13.196 45.479 23.015 713 HA GLN 86 HA GLN 86 -13.365 43.895 20.671 714 1HB GLN 86 1HB GLN 86 -12.424 46.779 21.025 715 2HB GLN 86 2HB GLN 86 -12.834 46.023 19.475 716 1HG GLN 86 1HG GLN 86 -15.143 45.588 20.290 717 2HG GLN 86 2HG GLN 86 -14.774 46.435 21.800 718 1HE2 GLN 86 1HE2 GLN 86 -13.720 48.744 21.386 719 2HE2 GLN 86 2HE2 GLN 86 -14.567 49.699 20.186 720 H ARG 87 H ARG 87 -10.600 44.669 22.544 721 HA ARG 87 HA ARG 87 -8.828 43.941 20.279 722 1HB ARG 87 1HB ARG 87 -8.329 45.822 22.137 723 2HB ARG 87 2HB ARG 87 -8.014 44.501 23.233 724 1HG ARG 87 1HG ARG 87 -6.576 44.219 20.631 725 2HG ARG 87 2HG ARG 87 -6.183 45.715 21.481 726 1HD ARG 87 1HD ARG 87 -5.471 44.568 23.441 727 2HD ARG 87 2HD ARG 87 -6.116 43.024 22.890 728 HE ARG 87 HE ARG 87 -3.606 44.320 22.120 729 1HH1 ARG 87 1HH1 ARG 87 -5.939 41.778 21.219 730 2HH1 ARG 87 2HH1 ARG 87 -4.695 40.686 20.648 731 1HH2 ARG 87 1HH2 ARG 87 -2.026 42.933 21.183 732 2HH2 ARG 87 2HH2 ARG 87 -2.503 41.403 20.500 733 H ALA 88 H ALA 88 -10.616 42.329 22.514 734 HA ALA 88 HA ALA 88 -8.834 39.982 22.642 735 1HB ALA 88 1HB ALA 88 -10.120 40.485 24.630 736 2HB ALA 88 2HB ALA 88 -11.641 40.242 23.712 737 3HB ALA 88 3HB ALA 88 -10.514 38.904 23.943 738 H ALA 89 H ALA 89 -11.679 41.313 21.189 739 HA ALA 89 HA ALA 89 -12.541 39.043 19.648 740 1HB ALA 89 1HB ALA 89 -13.948 40.615 18.449 741 2HB ALA 89 2HB ALA 89 -14.011 40.973 20.183 742 3HB ALA 89 3HB ALA 89 -13.043 41.995 19.099 743 H GLU 90 H GLU 90 -10.792 41.990 18.743 744 HA GLU 90 HA GLU 90 -9.949 40.989 16.156 745 1HB GLU 90 1HB GLU 90 -8.970 43.333 17.842 746 2HB GLU 90 2HB GLU 90 -8.484 43.023 16.168 747 1HG GLU 90 1HG GLU 90 -10.782 43.237 15.385 748 2HG GLU 90 2HG GLU 90 -11.376 43.472 17.034 749 H ASN 91 H ASN 91 -8.878 39.867 19.117 750 HA ASN 91 HA ASN 91 -6.072 39.528 18.184 751 1HB ASN 91 1HB ASN 91 -6.754 39.667 20.761 752 2HB ASN 91 2HB ASN 91 -7.445 38.078 20.576 753 1HD2 ASN 91 1HD2 ASN 91 -6.066 36.253 20.229 754 2HD2 ASN 91 2HD2 ASN 91 -4.383 36.379 20.690 755 H ARG 92 H ARG 92 -8.879 37.434 19.139 756 HA ARG 92 HA ARG 92 -7.804 35.231 17.671 757 1HB ARG 92 1HB ARG 92 -9.954 34.120 18.041 758 2HB ARG 92 2HB ARG 92 -9.350 34.874 19.520 759 1HG ARG 92 1HG ARG 92 -10.926 36.775 19.200 760 2HG ARG 92 2HG ARG 92 -11.512 36.028 17.702 761 1HD ARG 92 1HD ARG 92 -12.274 34.055 18.937 762 2HD ARG 92 2HD ARG 92 -11.716 34.741 20.459 763 HE ARG 92 HE ARG 92 -14.115 35.394 18.937 764 1HH1 ARG 92 1HH1 ARG 92 -11.874 36.678 21.368 765 2HH1 ARG 92 2HH1 ARG 92 -13.088 37.633 22.177 766 1HH2 ARG 92 1HH2 ARG 92 -15.678 36.736 19.928 767 2HH2 ARG 92 2HH2 ARG 92 -15.249 37.732 21.288 768 H GLN 93 H GLN 93 -9.962 37.791 16.714 769 HA GLN 93 HA GLN 93 -10.594 36.522 14.152 770 1HB GLN 93 1HB GLN 93 -11.035 39.370 15.050 771 2HB GLN 93 2HB GLN 93 -11.621 38.673 13.537 772 1HG GLN 93 1HG GLN 93 -12.970 37.026 14.698 773 2HG GLN 93 2HG GLN 93 -12.420 37.601 16.272 774 1HE2 GLN 93 1HE2 GLN 93 -12.550 40.335 16.134 775 2HE2 GLN 93 2HE2 GLN 93 -14.200 40.838 15.826 776 H GLY 94 H GLY 94 -7.700 37.879 15.217 777 1HA GLY 94 1HA GLY 94 -6.907 38.705 12.424 778 2HA GLY 94 2HA GLY 94 -6.174 39.296 13.913 779 H THR 95 H THR 95 -5.945 37.016 15.412 780 HA THR 95 HA THR 95 -3.619 35.754 14.397 781 HB THR 95 HB THR 95 -5.537 35.053 16.698 782 HG1 THR 95 HG1 THR 95 -3.953 36.096 17.950 783 1HG2 THR 95 1HG2 THR 95 -4.193 33.022 16.203 784 2HG2 THR 95 2HG2 THR 95 -2.700 33.981 16.282 785 3HG2 THR 95 3HG2 THR 95 -3.690 33.749 17.728 786 H LEU 96 H LEU 96 -7.015 34.619 14.547 787 HA LEU 96 HA LEU 96 -6.120 32.130 13.386 788 1HB LEU 96 1HB LEU 96 -8.362 32.294 14.605 789 2HB LEU 96 2HB LEU 96 -8.950 33.309 13.280 790 HG LEU 96 HG LEU 96 -8.336 31.336 11.649 791 1HD1 LEU 96 1HD1 LEU 96 -8.397 29.107 12.915 792 2HD1 LEU 96 2HD1 LEU 96 -6.892 30.001 13.190 793 3HD1 LEU 96 3HD1 LEU 96 -8.199 30.033 14.401 794 1HD2 LEU 96 1HD2 LEU 96 -10.652 31.877 12.601 795 2HD2 LEU 96 2HD2 LEU 96 -10.246 30.368 11.791 796 3HD2 LEU 96 3HD2 LEU 96 -10.342 30.369 13.536 797 H THR 97 H THR 97 -7.747 34.975 12.194 798 HA THR 97 HA THR 97 -7.920 34.462 9.427 799 HB THR 97 HB THR 97 -7.448 36.988 11.079 800 HG1 THR 97 HG1 THR 97 -9.553 37.218 10.844 801 1HG2 THR 97 1HG2 THR 97 -6.383 37.610 9.102 802 2HG2 THR 97 2HG2 THR 97 -7.742 37.005 8.110 803 3HG2 THR 97 3HG2 THR 97 -7.958 38.399 9.211 804 H GLU 98 H GLU 98 -5.072 35.341 11.272 805 HA GLU 98 HA GLU 98 -3.523 35.416 8.763 806 1HB GLU 98 1HB GLU 98 -3.166 37.075 10.748 807 2HB GLU 98 2HB GLU 98 -2.497 35.688 11.629 808 1HG GLU 98 1HG GLU 98 -0.869 35.422 9.690 809 2HG GLU 98 2HG GLU 98 -1.518 36.938 9.034 810 H TYR 99 H TYR 99 -3.918 33.321 11.615 811 HA TYR 99 HA TYR 99 -1.871 31.755 10.592 812 1HB TYR 99 1HB TYR 99 -3.135 31.269 12.956 813 2HB TYR 99 2HB TYR 99 -4.035 30.145 11.992 814 HD1 TYR 99 HD1 TYR 99 -0.601 30.194 10.555 815 HD2 TYR 99 HD2 TYR 99 -2.874 28.616 13.904 816 HE1 TYR 99 HE1 TYR 99 1.119 28.504 10.958 817 HE2 TYR 99 HE2 TYR 99 -1.050 26.896 14.231 818 HH TYR 99 HH TYR 99 1.709 26.715 11.972 819 H CYS 100 H CYS 100 -5.268 31.680 9.700 820 HA CYS 100 HA CYS 100 -4.985 29.237 8.195 821 1HB CYS 100 1HB CYS 100 -7.238 30.380 8.611 822 2HB CYS 100 2HB CYS 100 -6.755 31.660 7.473 823 HG CYS 100 HG CYS 100 -6.354 30.073 5.436 824 H SER 101 H SER 101 -4.501 32.641 7.229 825 HA SER 101 HA SER 101 -3.589 31.919 4.588 826 1HB SER 101 1HB SER 101 -2.943 34.394 6.274 827 2HB SER 101 2HB SER 101 -2.773 34.265 4.511 828 HG SER 101 HG SER 101 -5.058 33.866 4.448 829 H THR 102 H THR 102 -1.909 32.043 7.630 830 HA THR 102 HA THR 102 0.721 31.812 6.386 831 HB THR 102 HB THR 102 -0.115 32.198 9.288 832 HG1 THR 102 HG1 THR 102 0.878 33.992 7.325 833 1HG2 THR 102 1HG2 THR 102 2.068 31.389 9.391 834 2HG2 THR 102 2HG2 THR 102 2.606 32.391 7.990 835 3HG2 THR 102 3HG2 THR 102 2.162 33.155 9.520 836 H LEU 103 H LEU 103 -1.396 29.644 8.087 837 HA LEU 103 HA LEU 103 0.528 27.542 8.352 838 1HB LEU 103 1HB LEU 103 -2.375 27.875 8.698 839 2HB LEU 103 2HB LEU 103 -2.239 26.539 7.817 840 HG LEU 103 HG LEU 103 -0.826 26.631 10.466 841 1HD1 LEU 103 1HD1 LEU 103 -3.463 27.082 10.458 842 2HD1 LEU 103 2HD1 LEU 103 -3.428 25.322 10.545 843 3HD1 LEU 103 3HD1 LEU 103 -2.541 26.312 11.711 844 1HD2 LEU 103 1HD2 LEU 103 -0.794 24.308 10.495 845 2HD2 LEU 103 2HD2 LEU 103 -2.149 24.166 9.399 846 3HD2 LEU 103 3HD2 LEU 103 -0.551 24.572 8.767 847 H MET 104 H MET 104 -1.439 28.877 5.725 848 HA MET 104 HA MET 104 -0.876 26.761 3.952 849 1HB MET 104 1HB MET 104 -2.049 29.578 3.911 850 2HB MET 104 2HB MET 104 -1.664 28.880 2.347 851 1HG MET 104 1HG MET 104 -3.252 27.207 4.203 852 2HG MET 104 2HG MET 104 -4.054 28.646 3.564 853 1HE MET 104 1HE MET 104 -1.340 26.618 1.541 854 2HE MET 104 2HE MET 104 -2.152 25.380 2.536 855 3HE MET 104 3HE MET 104 -2.360 25.392 0.766 856 H SER 105 H SER 105 0.720 29.628 4.840 857 HA SER 105 HA SER 105 2.357 29.628 2.425 858 1HB SER 105 1HB SER 105 3.102 32.043 3.310 859 2HB SER 105 2HB SER 105 1.394 31.904 3.776 860 HG SER 105 HG SER 105 2.335 30.931 5.751 861 H LEU 106 H LEU 106 2.943 29.054 5.955 862 HA LEU 106 HA LEU 106 5.337 29.240 6.054 863 1HB LEU 106 1HB LEU 106 3.953 26.814 7.179 864 2HB LEU 106 2HB LEU 106 5.510 27.472 7.660 865 HG LEU 106 HG LEU 106 2.810 28.471 8.362 866 1HD1 LEU 106 1HD1 LEU 106 5.356 28.035 9.905 867 2HD1 LEU 106 2HD1 LEU 106 3.767 28.509 10.551 868 3HD1 LEU 106 3HD1 LEU 106 3.974 26.915 9.802 869 1HD2 LEU 106 1HD2 LEU 106 5.410 30.068 8.302 870 2HD2 LEU 106 2HD2 LEU 106 3.870 30.505 7.519 871 3HD2 LEU 106 3HD2 LEU 106 4.008 30.496 9.290 872 HA PRO 107 HA PRO 107 7.697 26.853 3.343 873 1HB PRO 107 1HB PRO 107 10.230 27.348 4.099 874 2HB PRO 107 2HB PRO 107 9.172 28.662 3.489 875 1HG PRO 107 1HG PRO 107 9.805 27.950 6.377 876 2HG PRO 107 2HG PRO 107 9.810 29.574 5.639 877 1HD PRO 107 1HD PRO 107 7.701 28.419 7.055 878 2HD PRO 107 2HD PRO 107 7.530 29.766 5.897 879 H THR 108 H THR 108 7.098 26.037 6.407 880 HA THR 108 HA THR 108 8.940 23.770 6.762 881 HB THR 108 HB THR 108 7.220 23.468 8.667 882 HG1 THR 108 HG1 THR 108 5.882 25.355 9.001 883 1HG2 THR 108 1HG2 THR 108 8.470 26.196 8.548 884 2HG2 THR 108 2HG2 THR 108 7.908 25.328 10.004 885 3HG2 THR 108 3HG2 THR 108 9.254 24.659 9.026 886 H LYS 109 H LYS 109 7.673 23.732 4.254 887 HA LYS 109 HA LYS 109 5.240 22.218 4.671 888 1HB LYS 109 1HB LYS 109 6.038 23.556 2.421 889 2HB LYS 109 2HB LYS 109 6.914 22.088 2.021 890 1HG LYS 109 1HG LYS 109 4.827 20.792 1.994 891 2HG LYS 109 2HG LYS 109 3.919 22.175 2.634 892 1HD LYS 109 1HD LYS 109 4.440 23.472 0.589 893 2HD LYS 109 2HD LYS 109 5.352 22.089 -0.057 894 1HE LYS 109 1HE LYS 109 3.297 20.696 -0.001 895 2HE LYS 109 2HE LYS 109 2.384 22.051 0.690 896 1HZ LYS 109 1HZ LYS 109 2.042 21.864 -1.652 897 2HZ LYS 109 2HZ LYS 109 2.808 23.281 -1.315 898 3HZ LYS 109 3HZ LYS 109 3.652 22.022 -1.961 899 H ILE 110 H ILE 110 8.357 21.236 4.970 900 HA ILE 110 HA ILE 110 7.612 18.374 4.643 901 HB ILE 110 HB ILE 110 10.254 19.653 5.494 902 1HG1 ILE 110 1HG1 ILE 110 9.391 18.502 2.795 903 2HG1 ILE 110 2HG1 ILE 110 9.623 20.219 3.158 904 1HG2 ILE 110 1HG2 ILE 110 10.007 17.332 6.341 905 2HG2 ILE 110 2HG2 ILE 110 9.630 16.774 4.697 906 3HG2 ILE 110 3HG2 ILE 110 11.236 17.419 5.097 907 1HD1 ILE 110 1HD1 ILE 110 12.029 19.747 3.700 908 2HD1 ILE 110 2HD1 ILE 110 11.791 18.101 3.058 909 3HD1 ILE 110 3HD1 ILE 110 11.561 19.500 2.006 910 H SER 111 H SER 111 8.235 20.752 7.154 911 HA SER 111 HA SER 111 8.146 18.865 9.323 912 1HB SER 111 1HB SER 111 7.664 21.610 10.125 913 2HB SER 111 2HB SER 111 9.047 20.572 10.457 914 HG SER 111 HG SER 111 10.045 21.302 8.672 915 H ARG 112 H ARG 112 6.042 21.290 7.969 916 HA ARG 112 HA ARG 112 3.834 20.822 9.771 917 1HB ARG 112 1HB ARG 112 4.727 23.023 8.768 918 2HB ARG 112 2HB ARG 112 3.900 22.499 7.278 919 1HG ARG 112 1HG ARG 112 1.720 22.572 8.528 920 2HG ARG 112 2HG ARG 112 2.623 23.093 9.967 921 1HD ARG 112 1HD ARG 112 1.815 25.078 8.926 922 2HD ARG 112 2HD ARG 112 3.533 25.019 8.566 923 HE ARG 112 HE ARG 112 1.246 24.823 6.762 924 1HH1 ARG 112 1HH1 ARG 112 4.803 24.399 6.850 925 2HH1 ARG 112 2HH1 ARG 112 4.947 24.921 5.188 926 1HH2 ARG 112 1HH2 ARG 112 1.539 25.482 4.707 927 2HH2 ARG 112 2HH2 ARG 112 3.116 25.454 3.942 928 H CYS 113 H CYS 113 4.661 19.394 6.708 929 HA CYS 113 HA CYS 113 2.047 19.257 5.619 930 1HB CYS 113 1HB CYS 113 4.550 17.842 5.057 931 2HB CYS 113 2HB CYS 113 3.163 16.756 4.954 932 HG CYS 113 HG CYS 113 3.692 17.625 2.601 933 HA PRO 114 HA PRO 114 1.012 15.295 7.946 934 1HB PRO 114 1HB PRO 114 2.653 14.309 9.953 935 2HB PRO 114 2HB PRO 114 2.849 13.848 8.236 936 1HG PRO 114 1HG PRO 114 4.332 16.030 9.736 937 2HG PRO 114 2HG PRO 114 5.032 14.734 8.721 938 1HD PRO 114 1HD PRO 114 4.632 17.198 7.728 939 2HD PRO 114 2HD PRO 114 4.249 15.770 6.727 940 H HIS 115 H HIS 115 2.518 17.940 9.637 941 HA HIS 115 HA HIS 115 0.843 17.612 11.921 942 1HB HIS 115 1HB HIS 115 3.008 19.115 11.537 943 2HB HIS 115 2HB HIS 115 1.818 20.361 11.187 944 HD1 HIS 115 HD1 HIS 115 1.375 17.662 13.885 945 HD2 HIS 115 HD2 HIS 115 2.273 21.759 13.633 946 HE1 HIS 115 HE1 HIS 115 1.324 18.606 16.238 947 H LEU 116 H LEU 116 0.429 19.872 9.045 948 HA LEU 116 HA LEU 116 -1.897 20.638 9.851 949 1HB LEU 116 1HB LEU 116 -0.659 21.463 7.724 950 2HB LEU 116 2HB LEU 116 -1.494 20.190 6.838 951 HG LEU 116 HG LEU 116 -2.429 22.773 7.883 952 1HD1 LEU 116 1HD1 LEU 116 -4.186 22.612 6.049 953 2HD1 LEU 116 2HD1 LEU 116 -2.722 21.950 5.303 954 3HD1 LEU 116 3HD1 LEU 116 -3.976 20.883 5.954 955 1HD2 LEU 116 1HD2 LEU 116 -3.653 21.556 9.413 956 2HD2 LEU 116 2HD2 LEU 116 -4.603 22.454 8.286 957 3HD2 LEU 116 3HD2 LEU 116 -4.498 20.694 8.086 958 H LEU 117 H LEU 117 -1.185 17.905 7.737 959 HA LEU 117 HA LEU 117 -3.852 16.885 7.341 960 1HB LEU 117 1HB LEU 117 -1.187 15.414 7.501 961 2HB LEU 117 2HB LEU 117 -2.737 14.665 7.229 962 HG LEU 117 HG LEU 117 -2.780 16.442 5.068 963 1HD1 LEU 117 1HD1 LEU 117 -0.666 17.374 5.233 964 2HD1 LEU 117 2HD1 LEU 117 0.108 15.786 5.575 965 3HD1 LEU 117 3HD1 LEU 117 -0.598 16.135 3.986 966 1HD2 LEU 117 1HD2 LEU 117 -3.167 13.928 5.291 967 2HD2 LEU 117 2HD2 LEU 117 -2.587 14.697 3.839 968 3HD2 LEU 117 3HD2 LEU 117 -1.420 13.839 4.898 969 H ASP 118 H ASP 118 -1.665 16.325 10.075 970 HA ASP 118 HA ASP 118 -3.702 14.792 11.481 971 1HB ASP 118 1HB ASP 118 -1.071 16.215 12.191 972 2HB ASP 118 2HB ASP 118 -2.007 15.516 13.465 973 H PHE 119 H PHE 119 -3.681 18.022 10.816 974 HA PHE 119 HA PHE 119 -4.798 19.044 13.369 975 1HB PHE 119 1HB PHE 119 -3.278 20.128 11.236 976 2HB PHE 119 2HB PHE 119 -4.908 20.511 10.685 977 HD1 PHE 119 HD1 PHE 119 -2.221 22.482 11.035 978 HD2 PHE 119 HD2 PHE 119 -5.672 21.497 13.439 979 HE1 PHE 119 HE1 PHE 119 -2.030 24.467 12.237 980 HE2 PHE 119 HE2 PHE 119 -5.441 23.661 14.661 981 HZ PHE 119 HZ PHE 119 -3.566 25.162 14.032 982 H PHE 120 H PHE 120 -5.527 18.115 10.182 983 HA PHE 120 HA PHE 120 -8.451 18.522 10.505 984 1HB PHE 120 1HB PHE 120 -6.482 17.752 8.218 985 2HB PHE 120 2HB PHE 120 -8.216 17.965 8.000 986 HD1 PHE 120 HD1 PHE 120 -6.579 19.364 6.203 987 HD2 PHE 120 HD2 PHE 120 -7.642 20.542 10.226 988 HE1 PHE 120 HE1 PHE 120 -6.452 21.736 5.569 989 HE2 PHE 120 HE2 PHE 120 -7.503 22.899 9.584 990 HZ PHE 120 HZ PHE 120 -6.938 23.517 7.293 991 H LYS 121 H LYS 121 -6.393 15.828 9.386 992 HA LYS 121 HA LYS 121 -8.617 14.083 9.242 993 1HB LYS 121 1HB LYS 121 -7.311 12.372 8.558 994 2HB LYS 121 2HB LYS 121 -6.579 13.855 7.948 995 1HG LYS 121 1HG LYS 121 -5.119 13.676 10.120 996 2HG LYS 121 2HG LYS 121 -5.647 11.993 10.146 997 1HD LYS 121 1HD LYS 121 -4.630 11.547 7.968 998 2HD LYS 121 2HD LYS 121 -4.481 13.269 7.630 999 1HE LYS 121 1HE LYS 121 -2.283 12.639 8.125 1000 2HE LYS 121 2HE LYS 121 -2.862 13.458 9.569 1001 1HZ LYS 121 1HZ LYS 121 -2.452 10.621 9.071 1002 2HZ LYS 121 2HZ LYS 121 -1.795 11.595 10.270 1003 3HZ LYS 121 3HZ LYS 121 -3.367 11.140 10.370 1004 H VAL 122 H VAL 122 -7.013 15.177 11.994 1005 HA VAL 122 HA VAL 122 -7.859 12.853 13.613 1006 HB VAL 122 HB VAL 122 -6.122 15.197 14.370 1007 1HG1 VAL 122 1HG1 VAL 122 -6.725 12.569 15.800 1008 2HG1 VAL 122 2HG1 VAL 122 -5.508 13.763 16.299 1009 3HG1 VAL 122 3HG1 VAL 122 -7.225 14.188 16.331 1010 1HG2 VAL 122 1HG2 VAL 122 -5.480 12.292 13.621 1011 2HG2 VAL 122 2HG2 VAL 122 -5.141 13.684 12.601 1012 3HG2 VAL 122 3HG2 VAL 122 -4.286 13.514 14.134 1013 H ARG 123 H ARG 123 -8.264 16.460 13.467 1014 HA ARG 123 HA ARG 123 -9.776 17.586 14.972 1015 1HB ARG 123 1HB ARG 123 -11.166 16.402 12.623 1016 2HB ARG 123 2HB ARG 123 -11.949 17.612 13.645 1017 1HG ARG 123 1HG ARG 123 -9.208 18.015 12.482 1018 2HG ARG 123 2HG ARG 123 -10.639 18.414 11.574 1019 1HD ARG 123 1HD ARG 123 -9.228 20.102 13.344 1020 2HD ARG 123 2HD ARG 123 -10.711 20.436 12.515 1021 HE ARG 123 HE ARG 123 -11.985 20.064 14.377 1022 1HH1 ARG 123 1HH1 ARG 123 -8.585 19.432 15.151 1023 2HH1 ARG 123 2HH1 ARG 123 -8.792 19.909 16.828 1024 1HH2 ARG 123 1HH2 ARG 123 -12.229 20.543 16.555 1025 2HH2 ARG 123 2HH2 ARG 123 -10.892 20.374 17.681 1026 HA PRO 124 HA PRO 124 -11.927 14.660 17.583 1027 1HB PRO 124 1HB PRO 124 -10.923 15.277 20.045 1028 2HB PRO 124 2HB PRO 124 -9.960 14.351 18.862 1029 1HG PRO 124 1HG PRO 124 -9.867 17.339 19.364 1030 2HG PRO 124 2HG PRO 124 -8.491 16.199 19.309 1031 1HD PRO 124 1HD PRO 124 -9.303 17.704 17.185 1032 2HD PRO 124 2HD PRO 124 -8.569 16.097 16.953 1033 H ASP 125 H ASP 125 -13.179 16.355 16.447 1034 HA ASP 125 HA ASP 125 -15.225 17.096 18.062 1035 1HB ASP 125 1HB ASP 125 -13.532 19.206 18.229 1036 2HB ASP 125 2HB ASP 125 -14.210 19.604 16.656 1037 H ASP 126 H ASP 126 -13.898 16.580 15.096 1038 HA ASP 126 HA ASP 126 -16.349 17.228 13.621 1039 1HB ASP 126 1HB ASP 126 -14.267 17.662 12.395 1040 2HB ASP 126 2HB ASP 126 -13.621 16.079 12.844 1041 H LEU 127 H LEU 127 -14.233 14.374 14.383 1042 HA LEU 127 HA LEU 127 -16.647 12.682 14.539 1043 1HB LEU 127 1HB LEU 127 -14.174 12.458 12.716 1044 2HB LEU 127 2HB LEU 127 -15.046 11.008 13.002 1045 HG LEU 127 HG LEU 127 -16.568 13.375 11.643 1046 1HD1 LEU 127 1HD1 LEU 127 -16.396 12.004 9.690 1047 2HD1 LEU 127 2HD1 LEU 127 -14.765 12.425 10.256 1048 3HD1 LEU 127 3HD1 LEU 127 -15.418 10.791 10.549 1049 1HD2 LEU 127 1HD2 LEU 127 -18.198 11.616 11.213 1050 2HD2 LEU 127 2HD2 LEU 127 -17.275 10.454 12.179 1051 3HD2 LEU 127 3HD2 LEU 127 -18.035 11.862 12.952 1052 H LYS 128 H LYS 128 -14.476 13.827 16.389 1053 HA LYS 128 HA LYS 128 -14.117 11.364 17.843 1054 1HB LYS 128 1HB LYS 128 -11.827 12.923 16.474 1055 2HB LYS 128 2HB LYS 128 -11.492 12.269 18.062 1056 1HG LYS 128 1HG LYS 128 -10.900 10.394 17.028 1057 2HG LYS 128 2HG LYS 128 -12.610 10.082 16.711 1058 1HD LYS 128 1HD LYS 128 -12.316 11.521 14.575 1059 2HD LYS 128 2HD LYS 128 -10.584 11.486 14.895 1060 1HE LYS 128 1HE LYS 128 -12.381 9.052 14.457 1061 2HE LYS 128 2HE LYS 128 -11.307 9.775 13.248 1062 1HZ LYS 128 1HZ LYS 128 -10.294 7.895 14.284 1063 2HZ LYS 128 2HZ LYS 128 -9.451 9.258 14.660 1064 3HZ LYS 128 3HZ LYS 128 -10.441 8.565 15.781 1065 H LEU 129 H LEU 129 -15.733 13.418 18.071 1066 HA LEU 129 HA LEU 129 -15.191 15.550 19.721 1067 1HB LEU 129 1HB LEU 129 -17.562 13.613 19.409 1068 2HB LEU 129 2HB LEU 129 -17.791 15.083 20.276 1069 HG LEU 129 HG LEU 129 -16.859 15.440 17.318 1070 1HD1 LEU 129 1HD1 LEU 129 -19.171 15.152 16.655 1071 2HD1 LEU 129 2HD1 LEU 129 -18.502 13.621 17.263 1072 3HD1 LEU 129 3HD1 LEU 129 -19.609 14.572 18.282 1073 1HD2 LEU 129 1HD2 LEU 129 -18.912 16.744 19.193 1074 2HD2 LEU 129 2HD2 LEU 129 -17.276 17.362 18.906 1075 3HD2 LEU 129 3HD2 LEU 129 -18.460 17.293 17.579 1076 HA PRO 130 HA PRO 130 -14.792 14.054 23.821 1077 1HB PRO 130 1HB PRO 130 -16.967 15.704 24.982 1078 2HB PRO 130 2HB PRO 130 -15.206 15.804 25.266 1079 1HG PRO 130 1HG PRO 130 -16.530 17.714 23.818 1080 2HG PRO 130 2HG PRO 130 -14.892 17.160 23.335 1081 1HD PRO 130 1HD PRO 130 -17.573 16.159 22.349 1082 2HD PRO 130 2HD PRO 130 -16.234 16.798 21.361 Start of MODEL 2 1 1H GLY 1 1H GLY 1 3.727 0.266 -2.375 2 2H GLY 1 2H GLY 1 3.841 1.112 -0.976 3 3H GLY 1 3H GLY 1 4.244 -0.495 -0.997 4 1HA GLY 1 1HA GLY 1 1.975 -1.090 -1.490 5 2HA GLY 1 2HA GLY 1 2.100 -0.165 0.024 6 H SER 2 H SER 2 -0.334 0.044 -0.786 7 HA SER 2 HA SER 2 -0.757 2.081 -2.838 8 1HB SER 2 1HB SER 2 -2.302 0.109 -2.380 9 2HB SER 2 2HB SER 2 -2.788 0.939 -0.886 10 HG SER 2 HG SER 2 -3.044 1.841 -3.570 11 H MET 3 H MET 3 -2.620 3.722 -1.958 12 HA MET 3 HA MET 3 -1.180 5.541 -0.203 13 1HB MET 3 1HB MET 3 -2.175 6.404 -2.175 14 2HB MET 3 2HB MET 3 -3.755 5.720 -1.802 15 1HG MET 3 1HG MET 3 -2.432 7.820 -0.042 16 2HG MET 3 2HG MET 3 -3.380 8.252 -1.456 17 1HE MET 3 1HE MET 3 -7.021 7.347 -0.539 18 2HE MET 3 2HE MET 3 -5.922 8.066 -1.733 19 3HE MET 3 3HE MET 3 -5.919 6.306 -1.461 20 H GLY 4 H GLY 4 -1.953 6.258 1.915 21 1HA GLY 4 1HA GLY 4 -4.493 5.485 3.008 22 2HA GLY 4 2HA GLY 4 -3.160 4.493 3.673 23 H ASP 5 H ASP 5 -2.993 7.836 2.529 24 HA ASP 5 HA ASP 5 -3.256 8.979 5.064 25 1HB ASP 5 1HB ASP 5 -0.665 9.733 5.185 26 2HB ASP 5 2HB ASP 5 -0.742 7.978 5.172 27 H THR 6 H THR 6 -1.843 9.322 1.866 28 HA THR 6 HA THR 6 -1.593 10.933 0.364 29 HB THR 6 HB THR 6 -3.851 10.048 -0.019 30 HG1 THR 6 HG1 THR 6 -4.213 11.552 -1.595 31 1HG2 THR 6 1HG2 THR 6 -4.578 12.720 1.217 32 2HG2 THR 6 2HG2 THR 6 -5.639 11.613 0.318 33 3HG2 THR 6 3HG2 THR 6 -4.906 11.103 1.881 34 H PHE 7 H PHE 7 -2.902 13.343 -0.037 35 HA PHE 7 HA PHE 7 -1.597 15.127 1.986 36 1HB PHE 7 1HB PHE 7 -1.037 15.210 -0.938 37 2HB PHE 7 2HB PHE 7 -0.194 16.026 0.345 38 HD1 PHE 7 HD1 PHE 7 -0.466 12.693 -1.479 39 HD2 PHE 7 HD2 PHE 7 1.007 14.375 2.279 40 HE1 PHE 7 HE1 PHE 7 0.905 10.759 -1.099 41 HE2 PHE 7 HE2 PHE 7 2.348 12.405 2.586 42 HZ PHE 7 HZ PHE 7 2.335 10.575 0.921 43 H ILE 8 H ILE 8 -1.822 17.513 1.190 44 HA ILE 8 HA ILE 8 -4.706 17.810 0.602 45 HB ILE 8 HB ILE 8 -3.032 18.944 2.833 46 1HG1 ILE 8 1HG1 ILE 8 -5.720 17.536 2.493 47 2HG1 ILE 8 2HG1 ILE 8 -4.243 16.906 3.250 48 1HG2 ILE 8 1HG2 ILE 8 -5.655 20.218 1.988 49 2HG2 ILE 8 2HG2 ILE 8 -4.680 20.603 3.420 50 3HG2 ILE 8 3HG2 ILE 8 -4.037 20.967 1.847 51 1HD1 ILE 8 1HD1 ILE 8 -4.513 18.737 4.979 52 2HD1 ILE 8 2HD1 ILE 8 -6.093 19.086 4.206 53 3HD1 ILE 8 3HD1 ILE 8 -5.805 17.513 4.966 54 H ARG 9 H ARG 9 -5.549 19.789 -0.090 55 HA ARG 9 HA ARG 9 -3.765 21.056 -2.083 56 1HB ARG 9 1HB ARG 9 -6.231 19.925 -2.525 57 2HB ARG 9 2HB ARG 9 -6.839 21.437 -1.912 58 1HG ARG 9 1HG ARG 9 -4.939 21.069 -4.272 59 2HG ARG 9 2HG ARG 9 -6.675 21.413 -4.341 60 1HD ARG 9 1HD ARG 9 -6.253 23.585 -3.150 61 2HD ARG 9 2HD ARG 9 -4.504 23.258 -3.269 62 HE ARG 9 HE ARG 9 -5.621 23.020 -5.849 63 1HH1 ARG 9 1HH1 ARG 9 -4.950 25.502 -3.418 64 2HH1 ARG 9 2HH1 ARG 9 -4.719 26.783 -4.574 65 1HH2 ARG 9 1HH2 ARG 9 -5.320 24.706 -7.392 66 2HH2 ARG 9 2HH2 ARG 9 -4.939 26.320 -6.865 67 H HIS 10 H HIS 10 -6.416 21.958 0.177 68 HA HIS 10 HA HIS 10 -4.841 23.900 1.510 69 1HB HIS 10 1HB HIS 10 -5.321 25.881 0.413 70 2HB HIS 10 2HB HIS 10 -5.410 24.880 -0.993 71 HD1 HIS 10 HD1 HIS 10 -8.201 23.685 -0.906 72 HD2 HIS 10 HD2 HIS 10 -7.413 27.690 0.060 73 HE1 HIS 10 HE1 HIS 10 -10.355 25.021 -1.216 74 H ILE 11 H ILE 11 -6.224 25.685 2.606 75 HA ILE 11 HA ILE 11 -8.572 24.446 3.807 76 HB ILE 11 HB ILE 11 -7.204 26.718 5.181 77 1HG1 ILE 11 1HG1 ILE 11 -6.133 23.904 5.461 78 2HG1 ILE 11 2HG1 ILE 11 -5.330 25.181 4.588 79 1HG2 ILE 11 1HG2 ILE 11 -8.600 24.155 6.114 80 2HG2 ILE 11 2HG2 ILE 11 -8.088 25.492 7.164 81 3HG2 ILE 11 3HG2 ILE 11 -9.360 25.743 5.989 82 1HD1 ILE 11 1HD1 ILE 11 -4.415 24.975 6.852 83 2HD1 ILE 11 2HD1 ILE 11 -5.109 26.579 6.536 84 3HD1 ILE 11 3HD1 ILE 11 -5.963 25.423 7.554 85 H ALA 12 H ALA 12 -10.459 25.828 4.193 86 HA ALA 12 HA ALA 12 -10.472 28.550 3.108 87 1HB ALA 12 1HB ALA 12 -11.367 27.123 1.287 88 2HB ALA 12 2HB ALA 12 -12.425 26.280 2.435 89 3HB ALA 12 3HB ALA 12 -12.695 27.998 2.074 90 H LEU 13 H LEU 13 -11.906 29.757 4.665 91 HA LEU 13 HA LEU 13 -12.777 28.051 6.862 92 1HB LEU 13 1HB LEU 13 -10.893 29.618 7.133 93 2HB LEU 13 2HB LEU 13 -11.995 30.960 6.995 94 HG LEU 13 HG LEU 13 -11.601 28.818 9.255 95 1HD1 LEU 13 1HD1 LEU 13 -9.874 30.137 9.585 96 2HD1 LEU 13 2HD1 LEU 13 -10.580 31.533 8.746 97 3HD1 LEU 13 3HD1 LEU 13 -11.099 31.164 10.373 98 1HD2 LEU 13 1HD2 LEU 13 -12.851 29.987 10.792 99 2HD2 LEU 13 2HD2 LEU 13 -13.305 31.256 9.644 100 3HD2 LEU 13 3HD2 LEU 13 -13.939 29.579 9.473 101 H LEU 14 H LEU 14 -14.842 28.325 7.749 102 HA LEU 14 HA LEU 14 -16.686 29.713 5.845 103 1HB LEU 14 1HB LEU 14 -16.804 27.119 7.229 104 2HB LEU 14 2HB LEU 14 -17.901 28.105 8.079 105 HG LEU 14 HG LEU 14 -18.941 28.789 5.822 106 1HD1 LEU 14 1HD1 LEU 14 -17.725 28.319 3.948 107 2HD1 LEU 14 2HD1 LEU 14 -16.689 27.180 4.785 108 3HD1 LEU 14 3HD1 LEU 14 -18.246 26.647 4.131 109 1HD2 LEU 14 1HD2 LEU 14 -19.004 25.878 6.680 110 2HD2 LEU 14 2HD2 LEU 14 -20.031 27.204 7.238 111 3HD2 LEU 14 3HD2 LEU 14 -20.163 26.639 5.565 112 H GLY 15 H GLY 15 -16.024 29.332 9.282 113 1HA GLY 15 1HA GLY 15 -15.907 31.987 9.944 114 2HA GLY 15 2HA GLY 15 -17.647 31.848 9.727 115 H PHE 16 H PHE 16 -18.864 31.353 11.411 116 HA PHE 16 HA PHE 16 -17.553 31.054 13.992 117 1HB PHE 16 1HB PHE 16 -20.480 31.269 13.348 118 2HB PHE 16 2HB PHE 16 -19.736 31.551 14.881 119 HD1 PHE 16 HD1 PHE 16 -20.832 33.324 11.818 120 HD2 PHE 16 HD2 PHE 16 -17.723 33.572 14.889 121 HE1 PHE 16 HE1 PHE 16 -20.420 35.615 11.277 122 HE2 PHE 16 HE2 PHE 16 -17.372 35.861 14.286 123 HZ PHE 16 HZ PHE 16 -18.699 36.932 12.484 124 H GLU 17 H GLU 17 -18.945 29.706 15.619 125 HA GLU 17 HA GLU 17 -20.369 27.442 14.939 126 1HB GLU 17 1HB GLU 17 -18.257 26.513 14.120 127 2HB GLU 17 2HB GLU 17 -17.502 26.820 15.672 128 1HG GLU 17 1HG GLU 17 -18.188 24.449 15.336 129 2HG GLU 17 2HG GLU 17 -19.019 25.146 16.720 130 H LYS 18 H LYS 18 -20.995 26.292 17.067 131 HA LYS 18 HA LYS 18 -20.672 28.066 19.369 132 1HB LYS 18 1HB LYS 18 -23.342 26.847 18.996 133 2HB LYS 18 2HB LYS 18 -22.828 28.372 19.668 134 1HG LYS 18 1HG LYS 18 -23.990 28.989 17.759 135 2HG LYS 18 2HG LYS 18 -22.337 28.994 17.149 136 1HD LYS 18 1HD LYS 18 -23.043 26.353 16.766 137 2HD LYS 18 2HD LYS 18 -24.638 27.064 16.689 138 1HE LYS 18 1HE LYS 18 -24.167 28.238 14.697 139 2HE LYS 18 2HE LYS 18 -22.427 28.255 14.996 140 1HZ LYS 18 1HZ LYS 18 -22.871 26.695 13.303 141 2HZ LYS 18 2HZ LYS 18 -22.406 25.867 14.646 142 3HZ LYS 18 3HZ LYS 18 -23.990 25.896 14.214 143 H ARG 19 H ARG 19 -19.335 26.666 20.652 144 HA ARG 19 HA ARG 19 -20.621 24.211 21.745 145 1HB ARG 19 1HB ARG 19 -17.736 24.939 21.177 146 2HB ARG 19 2HB ARG 19 -18.103 23.957 22.587 147 1HG ARG 19 1HG ARG 19 -18.888 23.251 19.731 148 2HG ARG 19 2HG ARG 19 -17.484 22.618 20.595 149 1HD ARG 19 1HD ARG 19 -20.411 22.088 21.270 150 2HD ARG 19 2HD ARG 19 -19.231 20.977 20.605 151 HE ARG 19 HE ARG 19 -18.951 22.222 23.332 152 1HH1 ARG 19 1HH1 ARG 19 -18.972 19.148 21.426 153 2HH1 ARG 19 2HH1 ARG 19 -18.212 18.307 22.775 154 1HH2 ARG 19 1HH2 ARG 19 -18.128 20.959 24.978 155 2HH2 ARG 19 2HH2 ARG 19 -17.768 19.253 24.686 156 H PHE 20 H PHE 20 -21.862 25.057 23.337 157 HA PHE 20 HA PHE 20 -20.890 27.295 24.800 158 1HB PHE 20 1HB PHE 20 -23.297 25.488 25.502 159 2HB PHE 20 2HB PHE 20 -23.405 27.179 25.614 160 HD1 PHE 20 HD1 PHE 20 -23.969 24.153 23.307 161 HD2 PHE 20 HD2 PHE 20 -23.758 28.540 23.135 162 HE1 PHE 20 HE1 PHE 20 -25.062 24.178 21.225 163 HE2 PHE 20 HE2 PHE 20 -24.868 28.454 21.048 164 HZ PHE 20 HZ PHE 20 -25.554 26.294 20.037 165 H VAL 21 H VAL 21 -20.669 23.901 25.075 166 HA VAL 21 HA VAL 21 -20.235 24.052 27.908 167 HB VAL 21 HB VAL 21 -21.358 21.468 27.466 168 1HG1 VAL 21 1HG1 VAL 21 -23.515 22.420 28.103 169 2HG1 VAL 21 2HG1 VAL 21 -22.253 23.272 29.024 170 3HG1 VAL 21 3HG1 VAL 21 -22.993 24.043 27.604 171 1HG2 VAL 21 1HG2 VAL 21 -22.672 22.975 25.354 172 2HG2 VAL 21 2HG2 VAL 21 -21.357 21.762 25.155 173 3HG2 VAL 21 3HG2 VAL 21 -22.886 21.309 25.948 174 HA PRO 22 HA PRO 22 -19.636 21.824 29.205 175 1HB PRO 22 1HB PRO 22 -17.474 21.209 30.735 176 2HB PRO 22 2HB PRO 22 -18.192 20.056 29.572 177 1HG PRO 22 1HG PRO 22 -15.836 21.907 29.107 178 2HG PRO 22 2HG PRO 22 -15.921 20.146 28.798 179 1HD PRO 22 1HD PRO 22 -16.377 22.027 26.872 180 2HD PRO 22 2HD PRO 22 -17.261 20.460 26.885 181 H SER 23 H SER 23 -17.557 24.131 28.027 182 HA SER 23 HA SER 23 -18.116 26.000 30.196 183 1HB SER 23 1HB SER 23 -15.353 25.411 28.865 184 2HB SER 23 2HB SER 23 -15.622 26.916 29.722 185 HG SER 23 HG SER 23 -16.103 24.358 30.853 186 H GLN 24 H GLN 24 -17.803 28.373 29.382 187 HA GLN 24 HA GLN 24 -19.295 28.544 26.967 188 1HB GLN 24 1HB GLN 24 -18.020 30.799 28.461 189 2HB GLN 24 2HB GLN 24 -19.420 30.779 27.414 190 1HG GLN 24 1HG GLN 24 -19.435 29.488 30.307 191 2HG GLN 24 2HG GLN 24 -20.424 30.822 29.824 192 1HE2 GLN 24 1HE2 GLN 24 -20.168 27.485 30.053 193 2HE2 GLN 24 2HE2 GLN 24 -21.495 27.038 28.995 194 H HIS 25 H HIS 25 -18.108 28.384 24.900 195 HA HIS 25 HA HIS 25 -16.071 30.310 24.461 196 1HB HIS 25 1HB HIS 25 -14.640 28.082 23.700 197 2HB HIS 25 2HB HIS 25 -14.440 28.792 25.328 198 HD1 HIS 25 HD1 HIS 25 -16.860 26.326 23.627 199 HD2 HIS 25 HD2 HIS 25 -14.240 26.504 26.890 200 HE1 HIS 25 HE1 HIS 25 -16.984 24.105 24.787 201 H TYR 26 H TYR 26 -17.139 30.973 22.394 202 HA TYR 26 HA TYR 26 -18.131 28.847 20.718 203 1HB TYR 26 1HB TYR 26 -17.739 31.830 20.369 204 2HB TYR 26 2HB TYR 26 -17.870 30.885 18.941 205 HD1 TYR 26 HD1 TYR 26 -19.967 30.162 22.136 206 HD2 TYR 26 HD2 TYR 26 -20.165 31.654 18.015 207 HE1 TYR 26 HE1 TYR 26 -22.336 30.209 22.218 208 HE2 TYR 26 HE2 TYR 26 -22.530 31.667 18.185 209 HH TYR 26 HH TYR 26 -24.385 31.310 19.505 210 H VAL 27 H VAL 27 -17.337 28.378 18.513 211 HA VAL 27 HA VAL 27 -14.364 28.561 18.280 212 HB VAL 27 HB VAL 27 -14.211 26.202 17.932 213 1HG1 VAL 27 1HG1 VAL 27 -16.090 26.563 20.296 214 2HG1 VAL 27 2HG1 VAL 27 -14.956 25.259 20.065 215 3HG1 VAL 27 3HG1 VAL 27 -14.342 26.903 20.314 216 1HG2 VAL 27 1HG2 VAL 27 -16.068 25.588 16.650 217 2HG2 VAL 27 2HG2 VAL 27 -16.182 24.670 18.145 218 3HG2 VAL 27 3HG2 VAL 27 -17.224 26.091 17.928 219 H TYR 28 H TYR 28 -13.798 27.720 15.831 220 HA TYR 28 HA TYR 28 -15.685 29.133 14.188 221 1HB TYR 28 1HB TYR 28 -13.310 29.065 12.759 222 2HB TYR 28 2HB TYR 28 -14.111 30.396 13.600 223 HD1 TYR 28 HD1 TYR 28 -11.697 27.659 14.488 224 HD2 TYR 28 HD2 TYR 28 -12.889 31.781 14.859 225 HE1 TYR 28 HE1 TYR 28 -9.860 28.065 15.918 226 HE2 TYR 28 HE2 TYR 28 -10.970 32.231 16.310 227 HH TYR 28 HH TYR 28 -8.581 29.687 17.100 228 H MET 29 H MET 29 -16.556 28.279 12.392 229 HA MET 29 HA MET 29 -16.226 25.477 11.974 230 1HB MET 29 1HB MET 29 -18.354 26.408 11.694 231 2HB MET 29 2HB MET 29 -17.824 27.545 10.417 232 1HG MET 29 1HG MET 29 -19.058 25.654 9.489 233 2HG MET 29 2HG MET 29 -17.371 25.594 8.985 234 1HE MET 29 1HE MET 29 -16.421 23.540 8.717 235 2HE MET 29 2HE MET 29 -17.133 22.002 9.266 236 3HE MET 29 3HE MET 29 -18.089 23.136 8.244 237 H PHE 30 H PHE 30 -14.553 24.450 10.575 238 HA PHE 30 HA PHE 30 -13.268 26.146 8.649 239 1HB PHE 30 1HB PHE 30 -12.317 23.986 10.549 240 2HB PHE 30 2HB PHE 30 -11.567 24.075 8.998 241 HD1 PHE 30 HD1 PHE 30 -12.558 27.100 11.565 242 HD2 PHE 30 HD2 PHE 30 -9.387 25.266 9.091 243 HE1 PHE 30 HE1 PHE 30 -11.075 28.745 12.088 244 HE2 PHE 30 HE2 PHE 30 -7.962 27.005 9.702 245 HZ PHE 30 HZ PHE 30 -8.718 28.777 11.179 246 H LEU 31 H LEU 31 -13.048 25.566 6.409 247 HA LEU 31 HA LEU 31 -14.202 23.003 5.666 248 1HB LEU 31 1HB LEU 31 -14.078 25.739 4.497 249 2HB LEU 31 2HB LEU 31 -13.867 24.420 3.355 250 HG LEU 31 HG LEU 31 -16.187 25.265 3.619 251 1HD1 LEU 31 1HD1 LEU 31 -15.692 22.337 4.202 252 2HD1 LEU 31 2HD1 LEU 31 -17.201 23.041 3.569 253 3HD1 LEU 31 3HD1 LEU 31 -15.698 23.138 2.616 254 1HD2 LEU 31 1HD2 LEU 31 -16.068 25.466 6.171 255 2HD2 LEU 31 2HD2 LEU 31 -17.542 24.736 5.504 256 3HD2 LEU 31 3HD2 LEU 31 -16.308 23.721 6.252 257 H VAL 32 H VAL 32 -12.825 21.289 4.956 258 HA VAL 32 HA VAL 32 -10.144 22.190 4.115 259 HB VAL 32 HB VAL 32 -9.738 21.019 5.934 260 1HG1 VAL 32 1HG1 VAL 32 -10.519 18.756 6.461 261 2HG1 VAL 32 2HG1 VAL 32 -11.891 19.867 6.302 262 3HG1 VAL 32 3HG1 VAL 32 -11.502 18.736 4.978 263 1HG2 VAL 32 1HG2 VAL 32 -8.250 20.452 4.129 264 2HG2 VAL 32 2HG2 VAL 32 -8.515 19.019 5.147 265 3HG2 VAL 32 3HG2 VAL 32 -9.316 19.139 3.587 266 H LYS 33 H LYS 33 -9.363 21.601 2.073 267 HA LYS 33 HA LYS 33 -11.267 20.033 0.449 268 1HB LYS 33 1HB LYS 33 -10.330 22.712 -0.003 269 2HB LYS 33 2HB LYS 33 -9.854 21.650 -1.342 270 1HG LYS 33 1HG LYS 33 -12.143 20.818 -1.557 271 2HG LYS 33 2HG LYS 33 -12.666 21.796 -0.170 272 1HD LYS 33 1HD LYS 33 -12.196 23.854 -1.366 273 2HD LYS 33 2HD LYS 33 -11.576 22.970 -2.775 274 1HE LYS 33 1HE LYS 33 -14.420 22.832 -1.648 275 2HE LYS 33 2HE LYS 33 -13.935 23.829 -3.023 276 1HZ LYS 33 1HZ LYS 33 -13.689 20.904 -2.967 277 2HZ LYS 33 2HZ LYS 33 -14.970 21.700 -3.575 278 3HZ LYS 33 3HZ LYS 33 -13.477 21.894 -4.275 279 H TRP 34 H TRP 34 -10.444 17.948 0.048 280 HA TRP 34 HA TRP 34 -7.523 17.791 0.003 281 1HB TRP 34 1HB TRP 34 -9.655 15.644 0.091 282 2HB TRP 34 2HB TRP 34 -7.935 15.377 0.068 283 HD1 TRP 34 HD1 TRP 34 -10.530 17.042 2.416 284 HE1 TRP 34 HE1 TRP 34 -9.790 16.577 4.854 285 HE3 TRP 34 HE3 TRP 34 -6.146 14.642 1.462 286 HZ2 TRP 34 HZ2 TRP 34 -7.570 15.304 6.203 287 HZ3 TRP 34 HZ3 TRP 34 -4.730 13.816 3.348 288 HH2 TRP 34 HH2 TRP 34 -5.430 14.135 5.679 289 H GLN 35 H GLN 35 -6.500 16.562 -1.817 290 HA GLN 35 HA GLN 35 -8.009 17.045 -4.342 291 1HB GLN 35 1HB GLN 35 -5.748 17.026 -5.462 292 2HB GLN 35 2HB GLN 35 -5.379 17.805 -3.940 293 1HG GLN 35 1HG GLN 35 -4.950 14.853 -4.564 294 2HG GLN 35 2HG GLN 35 -3.768 16.151 -4.643 295 1HE2 GLN 35 1HE2 GLN 35 -5.524 14.018 -2.470 296 2HE2 GLN 35 2HE2 GLN 35 -4.735 14.588 -1.004 297 H ASP 36 H ASP 36 -7.824 14.569 -2.259 298 HA ASP 36 HA ASP 36 -8.452 12.604 -4.364 299 1HB ASP 36 1HB ASP 36 -6.102 12.154 -3.262 300 2HB ASP 36 2HB ASP 36 -6.863 12.148 -1.690 301 H LEU 37 H LEU 37 -8.581 13.033 -0.817 302 HA LEU 37 HA LEU 37 -11.079 11.696 -0.502 303 1HB LEU 37 1HB LEU 37 -9.637 13.660 1.203 304 2HB LEU 37 2HB LEU 37 -11.188 12.972 1.621 305 HG LEU 37 HG LEU 37 -10.053 10.569 1.629 306 1HD1 LEU 37 1HD1 LEU 37 -8.112 11.102 0.228 307 2HD1 LEU 37 2HD1 LEU 37 -7.609 12.360 1.385 308 3HD1 LEU 37 3HD1 LEU 37 -7.608 10.642 1.856 309 1HD2 LEU 37 1HD2 LEU 37 -9.105 10.838 3.711 310 2HD2 LEU 37 2HD2 LEU 37 -9.094 12.622 3.542 311 3HD2 LEU 37 3HD2 LEU 37 -10.640 11.717 3.580 312 H SER 38 H SER 38 -10.479 14.765 -1.926 313 HA SER 38 HA SER 38 -11.906 16.447 -2.653 314 1HB SER 38 1HB SER 38 -14.099 14.248 -2.171 315 2HB SER 38 2HB SER 38 -14.305 15.670 -3.158 316 HG SER 38 HG SER 38 -12.317 13.685 -3.545 317 H GLU 39 H GLU 39 -14.561 17.079 -1.644 318 HA GLU 39 HA GLU 39 -13.676 18.797 0.294 319 1HB GLU 39 1HB GLU 39 -16.516 17.951 -0.630 320 2HB GLU 39 2HB GLU 39 -16.291 19.271 0.499 321 1HG GLU 39 1HG GLU 39 -14.801 20.429 -1.090 322 2HG GLU 39 2HG GLU 39 -15.007 19.119 -2.274 323 H LYS 40 H LYS 40 -13.778 18.886 2.593 324 HA LYS 40 HA LYS 40 -15.443 17.022 4.024 325 1HB LYS 40 1HB LYS 40 -12.435 16.646 3.907 326 2HB LYS 40 2HB LYS 40 -13.197 16.591 5.493 327 1HG LYS 40 1HG LYS 40 -13.668 14.460 5.161 328 2HG LYS 40 2HG LYS 40 -14.917 14.976 4.041 329 1HD LYS 40 1HD LYS 40 -12.871 14.955 2.287 330 2HD LYS 40 2HD LYS 40 -12.159 13.905 3.525 331 1HE LYS 40 1HE LYS 40 -13.314 12.329 2.191 332 2HE LYS 40 2HE LYS 40 -14.513 12.671 3.441 333 1HZ LYS 40 1HZ LYS 40 -14.344 13.689 0.708 334 2HZ LYS 40 2HZ LYS 40 -15.590 12.845 1.380 335 3HZ LYS 40 3HZ LYS 40 -15.317 14.432 1.799 336 H VAL 41 H VAL 41 -15.539 17.659 6.394 337 HA VAL 41 HA VAL 41 -14.778 20.464 6.634 338 HB VAL 41 HB VAL 41 -16.844 21.004 7.345 339 1HG1 VAL 41 1HG1 VAL 41 -16.825 20.447 4.920 340 2HG1 VAL 41 2HG1 VAL 41 -17.556 18.877 5.305 341 3HG1 VAL 41 3HG1 VAL 41 -18.429 20.376 5.661 342 1HG2 VAL 41 1HG2 VAL 41 -18.666 19.410 7.966 343 2HG2 VAL 41 2HG2 VAL 41 -17.493 18.078 7.813 344 3HG2 VAL 41 3HG2 VAL 41 -17.277 19.336 9.054 345 H VAL 42 H VAL 42 -14.376 21.317 8.794 346 HA VAL 42 HA VAL 42 -14.294 19.362 10.936 347 HB VAL 42 HB VAL 42 -11.975 19.613 11.477 348 1HG1 VAL 42 1HG1 VAL 42 -10.750 18.611 9.651 349 2HG1 VAL 42 2HG1 VAL 42 -12.386 17.948 9.678 350 3HG1 VAL 42 3HG1 VAL 42 -11.948 19.167 8.473 351 1HG2 VAL 42 1HG2 VAL 42 -10.358 20.922 10.092 352 2HG2 VAL 42 2HG2 VAL 42 -11.735 21.634 9.225 353 3HG2 VAL 42 3HG2 VAL 42 -11.514 21.912 10.977 354 H TYR 43 H TYR 43 -13.753 20.539 13.036 355 HA TYR 43 HA TYR 43 -14.721 23.293 12.910 356 1HB TYR 43 1HB TYR 43 -14.865 21.315 15.146 357 2HB TYR 43 2HB TYR 43 -15.678 22.846 15.012 358 HD1 TYR 43 HD1 TYR 43 -15.506 19.358 13.170 359 HD2 TYR 43 HD2 TYR 43 -18.129 22.802 13.815 360 HE1 TYR 43 HE1 TYR 43 -17.216 18.308 12.021 361 HE2 TYR 43 HE2 TYR 43 -19.809 21.671 12.645 362 HH TYR 43 HH TYR 43 -19.392 18.387 11.263 363 H ARG 44 H ARG 44 -13.607 24.765 14.502 364 HA ARG 44 HA ARG 44 -11.103 23.591 15.517 365 1HB ARG 44 1HB ARG 44 -11.347 25.750 13.469 366 2HB ARG 44 2HB ARG 44 -10.003 25.830 14.606 367 1HG ARG 44 1HG ARG 44 -10.520 23.458 12.758 368 2HG ARG 44 2HG ARG 44 -9.492 24.841 12.395 369 1HD ARG 44 1HD ARG 44 -7.966 23.252 13.152 370 2HD ARG 44 2HD ARG 44 -8.171 24.360 14.500 371 HE ARG 44 HE ARG 44 -9.284 22.729 15.756 372 1HH1 ARG 44 1HH1 ARG 44 -8.716 21.491 12.492 373 2HH1 ARG 44 2HH1 ARG 44 -8.854 19.824 12.971 374 1HH2 ARG 44 1HH2 ARG 44 -9.913 20.634 16.287 375 2HH2 ARG 44 2HH2 ARG 44 -9.960 19.397 15.066 376 H ARG 45 H ARG 45 -10.436 24.416 17.505 377 HA ARG 45 HA ARG 45 -11.962 26.717 18.577 378 1HB ARG 45 1HB ARG 45 -10.442 24.754 20.278 379 2HB ARG 45 2HB ARG 45 -11.809 25.783 20.693 380 1HG ARG 45 1HG ARG 45 -13.247 24.321 19.187 381 2HG ARG 45 2HG ARG 45 -11.887 23.238 18.990 382 1HD ARG 45 1HD ARG 45 -12.960 23.992 21.733 383 2HD ARG 45 2HD ARG 45 -13.571 22.620 20.827 384 HE ARG 45 HE ARG 45 -10.925 22.919 22.099 385 1HH1 ARG 45 1HH1 ARG 45 -12.929 20.903 19.930 386 2HH1 ARG 45 2HH1 ARG 45 -11.802 19.582 19.937 387 1HH2 ARG 45 1HH2 ARG 45 -9.490 21.110 22.124 388 2HH2 ARG 45 2HH2 ARG 45 -9.888 19.689 21.201 389 H PHE 46 H PHE 46 -10.712 28.212 20.030 390 HA PHE 46 HA PHE 46 -8.258 29.054 18.934 391 1HB PHE 46 1HB PHE 46 -8.086 30.431 21.006 392 2HB PHE 46 2HB PHE 46 -9.528 30.643 20.023 393 HD1 PHE 46 HD1 PHE 46 -11.750 30.056 20.843 394 HD2 PHE 46 HD2 PHE 46 -8.239 29.435 23.281 395 HE1 PHE 46 HE1 PHE 46 -13.179 29.752 22.831 396 HE2 PHE 46 HE2 PHE 46 -9.681 29.130 25.268 397 HZ PHE 46 HZ PHE 46 -12.146 29.286 25.055 398 H THR 47 H THR 47 -8.891 27.310 21.890 399 HA THR 47 HA THR 47 -6.235 26.857 22.772 400 HB THR 47 HB THR 47 -8.209 26.555 24.193 401 HG1 THR 47 HG1 THR 47 -6.257 25.389 24.623 402 1HG2 THR 47 1HG2 THR 47 -8.787 24.058 22.532 403 2HG2 THR 47 2HG2 THR 47 -9.602 24.530 24.033 404 3HG2 THR 47 3HG2 THR 47 -9.792 25.526 22.583 405 H GLU 48 H GLU 48 -7.892 25.316 20.097 406 HA GLU 48 HA GLU 48 -6.035 23.048 19.998 407 1HB GLU 48 1HB GLU 48 -8.198 24.112 18.091 408 2HB GLU 48 2HB GLU 48 -7.174 22.792 17.820 409 1HG GLU 48 1HG GLU 48 -8.200 21.565 19.805 410 2HG GLU 48 2HG GLU 48 -9.338 22.914 19.965 411 H ILE 49 H ILE 49 -6.707 26.090 18.191 412 HA ILE 49 HA ILE 49 -4.536 25.681 16.345 413 HB ILE 49 HB ILE 49 -5.812 28.250 17.373 414 1HG1 ILE 49 1HG1 ILE 49 -6.126 28.489 14.824 415 2HG1 ILE 49 2HG1 ILE 49 -5.681 26.788 14.680 416 1HG2 ILE 49 1HG2 ILE 49 -3.589 28.958 17.213 417 2HG2 ILE 49 2HG2 ILE 49 -3.286 27.990 15.768 418 3HG2 ILE 49 3HG2 ILE 49 -4.322 29.435 15.691 419 1HD1 ILE 49 1HD1 ILE 49 -7.906 27.927 16.381 420 2HD1 ILE 49 2HD1 ILE 49 -8.161 27.263 14.742 421 3HD1 ILE 49 3HD1 ILE 49 -7.696 26.196 16.058 422 H TYR 50 H TYR 50 -4.664 27.030 19.644 423 HA TYR 50 HA TYR 50 -1.835 27.571 19.821 424 1HB TYR 50 1HB TYR 50 -3.751 26.875 22.095 425 2HB TYR 50 2HB TYR 50 -2.276 27.764 22.224 426 HD1 TYR 50 HD1 TYR 50 -5.112 28.835 23.205 427 HD2 TYR 50 HD2 TYR 50 -3.061 29.511 19.412 428 HE1 TYR 50 HE1 TYR 50 -6.322 30.894 22.866 429 HE2 TYR 50 HE2 TYR 50 -4.295 31.535 19.135 430 HH TYR 50 HH TYR 50 -5.774 33.023 20.048 431 H GLU 51 H GLU 51 -3.694 24.805 21.103 432 HA GLU 51 HA GLU 51 -1.370 23.508 22.101 433 1HB GLU 51 1HB GLU 51 -3.627 22.783 22.727 434 2HB GLU 51 2HB GLU 51 -3.902 22.155 21.086 435 1HG GLU 51 1HG GLU 51 -2.069 20.527 21.409 436 2HG GLU 51 2HG GLU 51 -1.726 21.219 23.005 437 H PHE 52 H PHE 52 -2.890 23.269 18.932 438 HA PHE 52 HA PHE 52 -1.190 21.384 17.677 439 1HB PHE 52 1HB PHE 52 -3.147 22.283 16.485 440 2HB PHE 52 2HB PHE 52 -2.555 23.893 16.531 441 HD1 PHE 52 HD1 PHE 52 -0.369 24.581 14.788 442 HD2 PHE 52 HD2 PHE 52 -2.189 20.615 14.903 443 HE1 PHE 52 HE1 PHE 52 0.697 23.933 12.726 444 HE2 PHE 52 HE2 PHE 52 -1.104 20.071 12.861 445 HZ PHE 52 HZ PHE 52 0.356 21.733 11.724 446 H HIS 53 H HIS 53 -1.034 24.905 17.475 447 HA HIS 53 HA HIS 53 1.378 24.941 16.173 448 1HB HIS 53 1HB HIS 53 -0.348 26.722 16.366 449 2HB HIS 53 2HB HIS 53 0.284 27.157 17.972 450 HD1 HIS 53 HD1 HIS 53 1.798 26.209 14.659 451 HD2 HIS 53 HD2 HIS 53 1.882 29.521 17.207 452 HE1 HIS 53 HE1 HIS 53 3.242 27.764 13.588 453 H LYS 54 H LYS 54 0.675 24.993 19.507 454 HA LYS 54 HA LYS 54 3.361 25.432 20.474 455 1HB LYS 54 1HB LYS 54 0.935 24.129 21.723 456 2HB LYS 54 2HB LYS 54 2.490 24.161 22.558 457 1HG LYS 54 1HG LYS 54 2.584 26.552 22.576 458 2HG LYS 54 2HG LYS 54 1.191 26.698 21.495 459 1HD LYS 54 1HD LYS 54 -0.261 25.644 23.218 460 2HD LYS 54 2HD LYS 54 1.138 25.518 24.308 461 1HE LYS 54 1HE LYS 54 1.381 27.993 24.282 462 2HE LYS 54 2HE LYS 54 0.010 28.125 23.166 463 1HZ LYS 54 1HZ LYS 54 -1.385 27.182 24.867 464 2HZ LYS 54 2HZ LYS 54 -0.111 27.059 25.903 465 3HZ LYS 54 3HZ LYS 54 -0.636 28.540 25.416 466 H THR 55 H THR 55 1.597 22.511 19.559 467 HA THR 55 HA THR 55 3.824 20.741 20.287 468 HB THR 55 HB THR 55 1.405 20.252 18.512 469 HG1 THR 55 HG1 THR 55 1.947 19.741 21.251 470 1HG2 THR 55 1HG2 THR 55 3.411 18.315 19.678 471 2HG2 THR 55 2HG2 THR 55 1.812 17.858 19.025 472 3HG2 THR 55 3HG2 THR 55 3.008 18.604 17.969 473 H LEU 56 H LEU 56 2.888 22.313 17.281 474 HA LEU 56 HA LEU 56 4.904 21.032 15.780 475 1HB LEU 56 1HB LEU 56 3.010 22.729 14.954 476 2HB LEU 56 2HB LEU 56 4.096 23.978 15.433 477 HG LEU 56 HG LEU 56 4.068 23.722 13.159 478 1HD1 LEU 56 1HD1 LEU 56 6.789 22.859 14.078 479 2HD1 LEU 56 2HD1 LEU 56 6.373 23.891 12.730 480 3HD1 LEU 56 3HD1 LEU 56 6.114 24.474 14.403 481 1HD2 LEU 56 1HD2 LEU 56 5.657 21.716 12.218 482 2HD2 LEU 56 2HD2 LEU 56 4.968 20.849 13.584 483 3HD2 LEU 56 3HD2 LEU 56 3.912 21.494 12.328 484 H LYS 57 H LYS 57 4.979 24.061 17.630 485 HA LYS 57 HA LYS 57 7.726 24.501 17.062 486 1HB LYS 57 1HB LYS 57 5.835 25.496 19.237 487 2HB LYS 57 2HB LYS 57 7.441 26.188 18.963 488 1HG LYS 57 1HG LYS 57 6.708 26.773 16.561 489 2HG LYS 57 2HG LYS 57 5.160 26.094 16.892 490 1HD LYS 57 1HD LYS 57 4.846 28.370 17.084 491 2HD LYS 57 2HD LYS 57 4.863 27.796 18.763 492 1HE LYS 57 1HE LYS 57 7.192 28.589 19.014 493 2HE LYS 57 2HE LYS 57 7.269 28.981 17.280 494 1HZ LYS 57 1HZ LYS 57 5.540 30.289 19.251 495 2HZ LYS 57 2HZ LYS 57 6.897 30.917 18.558 496 3HZ LYS 57 3HZ LYS 57 5.568 30.612 17.635 497 H GLU 58 H GLU 58 6.215 22.490 19.404 498 HA GLU 58 HA GLU 58 8.534 22.362 21.119 499 1HB GLU 58 1HB GLU 58 5.969 20.629 20.939 500 2HB GLU 58 2HB GLU 58 7.223 20.211 22.026 501 1HG GLU 58 1HG GLU 58 6.362 23.182 22.186 502 2HG GLU 58 2HG GLU 58 5.233 22.025 22.832 503 H MET 59 H MET 59 6.921 20.066 18.795 504 HA MET 59 HA MET 59 9.039 18.196 18.905 505 1HB MET 59 1HB MET 59 7.222 18.803 16.605 506 2HB MET 59 2HB MET 59 8.073 17.309 16.842 507 1HG MET 59 1HG MET 59 6.633 16.698 18.738 508 2HG MET 59 2HG MET 59 5.756 18.211 18.612 509 1HE MET 59 1HE MET 59 4.372 18.934 16.359 510 2HE MET 59 2HE MET 59 5.618 18.357 15.265 511 3HE MET 59 3HE MET 59 3.970 17.768 15.085 512 H PHE 60 H PHE 60 8.345 20.828 16.543 513 HA PHE 60 HA PHE 60 10.944 20.484 15.287 514 1HB PHE 60 1HB PHE 60 8.739 22.361 14.686 515 2HB PHE 60 2HB PHE 60 10.198 22.146 13.853 516 HD1 PHE 60 HD1 PHE 60 6.816 20.211 14.552 517 HD2 PHE 60 HD2 PHE 60 10.491 20.158 12.171 518 HE1 PHE 60 HE1 PHE 60 5.970 18.489 13.134 519 HE2 PHE 60 HE2 PHE 60 9.558 18.433 10.831 520 HZ PHE 60 HZ PHE 60 7.280 17.565 11.277 521 HA PRO 61 HA PRO 61 11.381 24.257 18.223 522 1HB PRO 61 1HB PRO 61 13.948 24.160 19.027 523 2HB PRO 61 2HB PRO 61 12.699 23.076 19.715 524 1HG PRO 61 1HG PRO 61 14.707 22.447 17.550 525 2HG PRO 61 2HG PRO 61 14.290 21.462 18.980 526 1HD PRO 61 1HD PRO 61 13.272 21.132 16.472 527 2HD PRO 61 2HD PRO 61 12.332 20.672 17.966 528 H ILE 62 H ILE 62 13.047 23.183 15.418 529 HA ILE 62 HA ILE 62 14.460 25.574 14.771 530 HB ILE 62 HB ILE 62 13.424 23.388 13.002 531 1HG1 ILE 62 1HG1 ILE 62 14.783 22.230 14.655 532 2HG1 ILE 62 2HG1 ILE 62 15.693 22.302 13.150 533 1HG2 ILE 62 1HG2 ILE 62 14.017 25.240 11.719 534 2HG2 ILE 62 2HG2 ILE 62 15.655 25.212 12.439 535 3HG2 ILE 62 3HG2 ILE 62 15.073 23.865 11.416 536 1HD1 ILE 62 1HD1 ILE 62 17.148 22.789 15.043 537 2HD1 ILE 62 2HD1 ILE 62 16.993 24.249 14.052 538 3HD1 ILE 62 3HD1 ILE 62 16.096 24.105 15.582 539 H GLU 63 H GLU 63 11.286 24.152 13.851 540 HA GLU 63 HA GLU 63 10.705 26.272 12.045 541 1HB GLU 63 1HB GLU 63 9.420 24.152 12.191 542 2HB GLU 63 2HB GLU 63 8.623 24.754 13.652 543 1HG GLU 63 1HG GLU 63 8.611 26.577 11.237 544 2HG GLU 63 2HG GLU 63 7.719 25.067 11.093 545 H ALA 64 H ALA 64 11.045 26.149 15.447 546 HA ALA 64 HA ALA 64 9.717 28.717 15.854 547 1HB ALA 64 1HB ALA 64 9.230 27.854 18.143 548 2HB ALA 64 2HB ALA 64 8.749 26.608 16.958 549 3HB ALA 64 3HB ALA 64 10.261 26.437 17.834 550 H GLY 65 H GLY 65 12.354 28.380 14.875 551 1HA GLY 65 1HA GLY 65 13.546 30.163 16.770 552 2HA GLY 65 2HA GLY 65 14.333 28.531 16.728 553 H ALA 66 H ALA 66 14.270 27.818 14.124 554 HA ALA 66 HA ALA 66 16.059 29.863 13.030 555 1HB ALA 66 1HB ALA 66 15.412 27.223 11.731 556 2HB ALA 66 2HB ALA 66 16.838 28.231 11.467 557 3HB ALA 66 3HB ALA 66 16.669 27.350 13.002 558 H ILE 67 H ILE 67 12.876 28.847 12.853 559 HA ILE 67 HA ILE 67 12.500 30.484 10.345 560 HB ILE 67 HB ILE 67 10.747 28.247 11.370 561 1HG1 ILE 67 1HG1 ILE 67 13.112 28.218 9.416 562 2HG1 ILE 67 2HG1 ILE 67 12.918 27.235 10.874 563 1HG2 ILE 67 1HG2 ILE 67 9.584 29.719 9.788 564 2HG2 ILE 67 2HG2 ILE 67 10.938 29.587 8.643 565 3HG2 ILE 67 3HG2 ILE 67 9.893 28.192 9.017 566 1HD1 ILE 67 1HD1 ILE 67 12.650 25.786 9.065 567 2HD1 ILE 67 2HD1 ILE 67 11.030 26.040 9.742 568 3HD1 ILE 67 3HD1 ILE 67 11.528 26.869 8.235 569 H ASN 68 H ASN 68 12.436 30.898 13.443 570 HA ASN 68 HA ASN 68 9.807 32.252 13.471 571 1HB ASN 68 1HB ASN 68 11.294 31.044 15.544 572 2HB ASN 68 2HB ASN 68 11.166 32.759 15.938 573 1HD2 ASN 68 1HD2 ASN 68 9.104 30.213 14.407 574 2HD2 ASN 68 2HD2 ASN 68 7.636 30.640 15.246 575 HA PRO 69 HA PRO 69 11.981 36.242 13.673 576 1HB PRO 69 1HB PRO 69 14.686 36.602 13.802 577 2HB PRO 69 2HB PRO 69 13.795 35.961 15.213 578 1HG PRO 69 1HG PRO 69 15.425 34.415 13.194 579 2HG PRO 69 2HG PRO 69 15.318 34.186 14.952 580 1HD PRO 69 1HD PRO 69 13.824 32.764 12.993 581 2HD PRO 69 2HD PRO 69 13.439 32.863 14.748 582 H GLU 70 H GLU 70 14.209 34.504 11.598 583 HA GLU 70 HA GLU 70 14.262 36.722 9.761 584 1HB GLU 70 1HB GLU 70 15.511 34.979 8.231 585 2HB GLU 70 2HB GLU 70 16.145 34.839 9.825 586 1HG GLU 70 1HG GLU 70 15.585 32.579 9.800 587 2HG GLU 70 2HG GLU 70 13.907 32.931 9.818 588 H ASN 71 H ASN 71 12.318 33.937 10.093 589 HA ASN 71 HA ASN 71 10.596 34.802 7.805 590 1HB ASN 71 1HB ASN 71 11.843 32.324 7.973 591 2HB ASN 71 2HB ASN 71 10.645 32.052 9.161 592 1HD2 ASN 71 1HD2 ASN 71 8.825 31.171 8.506 593 2HD2 ASN 71 2HD2 ASN 71 8.204 31.190 6.856 594 H ARG 72 H ARG 72 10.492 36.153 10.171 595 HA ARG 72 HA ARG 72 8.372 35.126 11.841 596 1HB ARG 72 1HB ARG 72 10.087 36.855 12.526 597 2HB ARG 72 2HB ARG 72 9.170 38.069 11.645 598 1HG ARG 72 1HG ARG 72 7.304 37.877 13.116 599 2HG ARG 72 2HG ARG 72 7.746 36.245 13.598 600 1HD ARG 72 1HD ARG 72 9.868 37.369 14.686 601 2HD ARG 72 2HD ARG 72 8.945 38.862 14.514 602 HE ARG 72 HE ARG 72 7.578 38.191 16.245 603 1HH1 ARG 72 1HH1 ARG 72 9.205 35.299 14.947 604 2HH1 ARG 72 2HH1 ARG 72 8.695 34.267 16.257 605 1HH2 ARG 72 1HH2 ARG 72 6.903 36.813 17.949 606 2HH2 ARG 72 2HH2 ARG 72 7.404 35.144 17.992 607 H ILE 73 H ILE 73 7.161 34.523 9.784 608 HA ILE 73 HA ILE 73 5.129 36.551 9.002 609 HB ILE 73 HB ILE 73 5.990 33.913 7.715 610 1HG1 ILE 73 1HG1 ILE 73 6.409 35.437 5.718 611 2HG1 ILE 73 2HG1 ILE 73 6.293 36.822 6.808 612 1HG2 ILE 73 1HG2 ILE 73 3.563 34.221 7.481 613 2HG2 ILE 73 2HG2 ILE 73 3.811 35.883 6.906 614 3HG2 ILE 73 3HG2 ILE 73 4.357 34.498 5.937 615 1HD1 ILE 73 1HD1 ILE 73 8.343 36.151 7.921 616 2HD1 ILE 73 2HD1 ILE 73 8.263 34.528 7.186 617 3HD1 ILE 73 3HD1 ILE 73 8.636 35.945 6.200 618 H ILE 74 H ILE 74 5.883 33.455 10.551 619 HA ILE 74 HA ILE 74 3.400 32.278 10.917 620 HB ILE 74 HB ILE 74 5.697 32.409 12.874 621 1HG1 ILE 74 1HG1 ILE 74 5.464 30.116 10.931 622 2HG1 ILE 74 2HG1 ILE 74 6.327 31.576 10.436 623 1HG2 ILE 74 1HG2 ILE 74 4.831 30.142 13.568 624 2HG2 ILE 74 2HG2 ILE 74 3.589 31.371 13.753 625 3HG2 ILE 74 3HG2 ILE 74 3.546 30.281 12.360 626 1HD1 ILE 74 1HD1 ILE 74 6.954 29.954 12.937 627 2HD1 ILE 74 2HD1 ILE 74 7.877 29.983 11.429 628 3HD1 ILE 74 3HD1 ILE 74 7.763 31.448 12.424 629 HA PRO 75 HA PRO 75 1.742 35.417 13.685 630 1HB PRO 75 1HB PRO 75 -0.607 34.307 14.514 631 2HB PRO 75 2HB PRO 75 -0.340 34.776 12.813 632 1HG PRO 75 1HG PRO 75 0.086 32.022 14.023 633 2HG PRO 75 2HG PRO 75 -0.931 32.468 12.624 634 1HD PRO 75 1HD PRO 75 1.621 31.592 12.277 635 2HD PRO 75 2HD PRO 75 0.975 32.932 11.280 636 H HIS 76 H HIS 76 0.929 35.502 16.063 637 HA HIS 76 HA HIS 76 1.542 33.331 17.880 638 1HB HIS 76 1HB HIS 76 3.272 34.709 19.170 639 2HB HIS 76 2HB HIS 76 3.758 33.856 17.726 640 HD1 HIS 76 HD1 HIS 76 3.258 37.424 18.928 641 HD2 HIS 76 HD2 HIS 76 4.658 35.311 15.587 642 HE1 HIS 76 HE1 HIS 76 4.437 39.090 17.427 643 H LEU 77 H LEU 77 1.931 36.036 19.612 644 HA LEU 77 HA LEU 77 0.639 37.407 20.832 645 1HB LEU 77 1HB LEU 77 -1.795 36.704 19.146 646 2HB LEU 77 2HB LEU 77 -1.588 38.094 20.175 647 HG LEU 77 HG LEU 77 -0.056 37.586 17.594 648 1HD1 LEU 77 1HD1 LEU 77 -1.319 39.526 16.790 649 2HD1 LEU 77 2HD1 LEU 77 -2.415 38.229 17.296 650 3HD1 LEU 77 3HD1 LEU 77 -2.171 39.641 18.346 651 1HD2 LEU 77 1HD2 LEU 77 1.408 38.789 19.169 652 2HD2 LEU 77 2HD2 LEU 77 0.813 39.892 17.926 653 3HD2 LEU 77 3HD2 LEU 77 0.093 39.924 19.550 654 HA PRO 78 HA PRO 78 -0.833 34.570 23.837 655 1HB PRO 78 1HB PRO 78 -2.149 36.128 25.654 656 2HB PRO 78 2HB PRO 78 -0.399 36.286 25.341 657 1HG PRO 78 1HG PRO 78 -2.646 37.912 24.112 658 2HG PRO 78 2HG PRO 78 -1.195 38.530 24.962 659 1HD PRO 78 1HD PRO 78 -1.265 38.336 22.277 660 2HD PRO 78 2HD PRO 78 0.223 37.896 23.158 661 H ALA 79 H ALA 79 -2.982 34.164 25.245 662 HA ALA 79 HA ALA 79 -5.050 33.386 23.336 663 1HB ALA 79 1HB ALA 79 -4.237 31.846 25.081 664 2HB ALA 79 2HB ALA 79 -4.691 33.005 26.347 665 3HB ALA 79 3HB ALA 79 -5.943 32.209 25.385 666 HA PRO 80 HA PRO 80 -7.747 36.800 24.321 667 1HB PRO 80 1HB PRO 80 -10.264 35.768 24.213 668 2HB PRO 80 2HB PRO 80 -9.217 35.891 22.764 669 1HG PRO 80 1HG PRO 80 -9.608 33.469 24.555 670 2HG PRO 80 2HG PRO 80 -9.767 33.536 22.774 671 1HD PRO 80 1HD PRO 80 -7.472 32.722 23.921 672 2HD PRO 80 2HD PRO 80 -7.423 33.796 22.495 673 H LYS 81 H LYS 81 -9.481 37.473 25.833 674 HA LYS 81 HA LYS 81 -10.424 37.801 27.913 675 1HB LYS 81 1HB LYS 81 -11.194 36.099 29.083 676 2HB LYS 81 2HB LYS 81 -10.667 35.148 27.702 677 1HG LYS 81 1HG LYS 81 -8.410 34.944 29.193 678 2HG LYS 81 2HG LYS 81 -9.544 35.380 30.479 679 1HD LYS 81 1HD LYS 81 -10.999 33.462 29.815 680 2HD LYS 81 2HD LYS 81 -9.850 33.058 28.527 681 1HE LYS 81 1HE LYS 81 -9.486 31.600 30.451 682 2HE LYS 81 2HE LYS 81 -8.074 32.634 30.178 683 1HZ LYS 81 1HZ LYS 81 -10.176 33.117 32.184 684 2HZ LYS 81 2HZ LYS 81 -8.682 32.496 32.492 685 3HZ LYS 81 3HZ LYS 81 -8.832 34.041 31.953 686 H TRP 82 H TRP 82 -7.733 38.390 27.095 687 HA TRP 82 HA TRP 82 -6.355 38.838 29.708 688 1HB TRP 82 1HB TRP 82 -5.457 38.976 26.802 689 2HB TRP 82 2HB TRP 82 -4.529 39.634 28.144 690 HD1 TRP 82 HD1 TRP 82 -6.224 36.154 28.220 691 HE1 TRP 82 HE1 TRP 82 -4.424 34.365 28.522 692 HE3 TRP 82 HE3 TRP 82 -2.058 39.125 27.911 693 HZ2 TRP 82 HZ2 TRP 82 -1.568 34.221 28.618 694 HZ3 TRP 82 HZ3 TRP 82 0.193 38.117 28.112 695 HH2 TRP 82 HH2 TRP 82 0.451 35.672 28.465 696 H PHE 83 H PHE 83 -7.993 40.270 26.931 697 HA PHE 83 HA PHE 83 -8.102 42.920 28.262 698 1HB PHE 83 1HB PHE 83 -7.662 42.489 25.296 699 2HB PHE 83 2HB PHE 83 -7.587 44.013 26.189 700 HD1 PHE 83 HD1 PHE 83 -5.687 44.164 28.027 701 HD2 PHE 83 HD2 PHE 83 -5.695 41.320 24.780 702 HE1 PHE 83 HE1 PHE 83 -3.238 43.861 28.276 703 HE2 PHE 83 HE2 PHE 83 -3.251 41.025 25.036 704 HZ PHE 83 HZ PHE 83 -2.016 42.292 26.782 705 H ASP 84 H ASP 84 -10.045 40.979 28.505 706 HA ASP 84 HA ASP 84 -12.016 40.336 26.977 707 1HB ASP 84 1HB ASP 84 -12.214 41.694 29.758 708 2HB ASP 84 2HB ASP 84 -13.533 40.778 29.070 709 H GLY 85 H GLY 85 -12.309 41.769 25.127 710 1HA GLY 85 1HA GLY 85 -14.545 43.340 25.034 711 2HA GLY 85 2HA GLY 85 -13.175 44.452 25.319 712 H GLN 86 H GLN 86 -13.257 45.259 23.044 713 HA GLN 86 HA GLN 86 -13.249 43.519 20.812 714 1HB GLN 86 1HB GLN 86 -12.215 46.381 21.084 715 2HB GLN 86 2HB GLN 86 -12.420 45.500 19.561 716 1HG GLN 86 1HG GLN 86 -14.862 45.211 20.089 717 2HG GLN 86 2HG GLN 86 -14.640 46.206 21.539 718 1HE2 GLN 86 1HE2 GLN 86 -13.469 46.500 18.106 719 2HE2 GLN 86 2HE2 GLN 86 -14.124 48.107 17.872 720 H ARG 87 H ARG 87 -10.716 44.253 22.994 721 HA ARG 87 HA ARG 87 -8.618 43.446 21.077 722 1HB ARG 87 1HB ARG 87 -8.689 44.365 24.053 723 2HB ARG 87 2HB ARG 87 -7.190 43.813 23.321 724 1HG ARG 87 1HG ARG 87 -7.393 45.550 21.557 725 2HG ARG 87 2HG ARG 87 -8.894 46.133 22.300 726 1HD ARG 87 1HD ARG 87 -7.713 46.658 24.383 727 2HD ARG 87 2HD ARG 87 -6.194 46.037 23.739 728 HE ARG 87 HE ARG 87 -7.471 48.606 23.221 729 1HH1 ARG 87 1HH1 ARG 87 -5.191 46.250 21.872 730 2HH1 ARG 87 2HH1 ARG 87 -4.347 47.419 20.895 731 1HH2 ARG 87 1HH2 ARG 87 -6.395 50.136 21.902 732 2HH2 ARG 87 2HH2 ARG 87 -5.060 49.649 20.897 733 H ALA 88 H ALA 88 -10.825 41.873 22.984 734 HA ALA 88 HA ALA 88 -9.130 39.462 23.334 735 1HB ALA 88 1HB ALA 88 -11.946 39.980 24.350 736 2HB ALA 88 2HB ALA 88 -10.940 38.563 24.687 737 3HB ALA 88 3HB ALA 88 -10.445 40.146 25.306 738 H ALA 89 H ALA 89 -11.578 40.955 21.454 739 HA ALA 89 HA ALA 89 -12.528 38.548 20.113 740 1HB ALA 89 1HB ALA 89 -12.976 41.498 19.501 741 2HB ALA 89 2HB ALA 89 -13.814 40.127 18.752 742 3HB ALA 89 3HB ALA 89 -14.032 40.462 20.480 743 H GLU 90 H GLU 90 -10.878 41.501 19.023 744 HA GLU 90 HA GLU 90 -9.943 40.416 16.551 745 1HB GLU 90 1HB GLU 90 -8.960 42.816 18.167 746 2HB GLU 90 2HB GLU 90 -8.553 42.494 16.477 747 1HG GLU 90 1HG GLU 90 -10.888 42.714 15.803 748 2HG GLU 90 2HG GLU 90 -11.399 42.960 17.479 749 H ASN 91 H ASN 91 -8.763 39.636 19.609 750 HA ASN 91 HA ASN 91 -5.958 39.301 18.725 751 1HB ASN 91 1HB ASN 91 -6.429 39.677 21.208 752 2HB ASN 91 2HB ASN 91 -7.540 38.324 21.258 753 1HD2 ASN 91 1HD2 ASN 91 -6.696 36.166 21.314 754 2HD2 ASN 91 2HD2 ASN 91 -4.984 35.890 21.583 755 H ARG 92 H ARG 92 -8.634 37.093 19.762 756 HA ARG 92 HA ARG 92 -7.369 34.889 18.420 757 1HB ARG 92 1HB ARG 92 -9.122 33.561 19.207 758 2HB ARG 92 2HB ARG 92 -9.009 34.831 20.430 759 1HG ARG 92 1HG ARG 92 -10.879 36.027 19.034 760 2HG ARG 92 2HG ARG 92 -11.057 34.465 18.215 761 1HD ARG 92 1HD ARG 92 -12.653 34.341 19.874 762 2HD ARG 92 2HD ARG 92 -11.292 33.503 20.650 763 HE ARG 92 HE ARG 92 -11.100 36.273 21.267 764 1HH1 ARG 92 1HH1 ARG 92 -13.301 33.589 21.985 765 2HH1 ARG 92 2HH1 ARG 92 -13.997 34.366 23.381 766 1HH2 ARG 92 1HH2 ARG 92 -11.988 37.280 23.023 767 2HH2 ARG 92 2HH2 ARG 92 -13.229 36.526 24.001 768 H GLN 93 H GLN 93 -9.712 37.262 17.418 769 HA GLN 93 HA GLN 93 -10.339 35.807 14.933 770 1HB GLN 93 1HB GLN 93 -11.124 38.579 15.836 771 2HB GLN 93 2HB GLN 93 -11.676 37.787 14.356 772 1HG GLN 93 1HG GLN 93 -12.738 35.995 15.578 773 2HG GLN 93 2HG GLN 93 -12.169 36.627 17.128 774 1HE2 GLN 93 1HE2 GLN 93 -14.943 36.144 16.389 775 2HE2 GLN 93 2HE2 GLN 93 -15.743 37.701 16.475 776 H GLY 94 H GLY 94 -7.600 37.339 15.836 777 1HA GLY 94 1HA GLY 94 -6.975 38.371 13.076 778 2HA GLY 94 2HA GLY 94 -6.215 38.931 14.570 779 H THR 95 H THR 95 -5.799 36.637 15.975 780 HA THR 95 HA THR 95 -3.485 35.492 14.776 781 HB THR 95 HB THR 95 -5.250 34.585 17.138 782 HG1 THR 95 HG1 THR 95 -4.457 36.583 17.550 783 1HG2 THR 95 1HG2 THR 95 -3.157 33.479 18.008 784 2HG2 THR 95 2HG2 THR 95 -3.768 32.717 16.531 785 3HG2 THR 95 3HG2 THR 95 -2.370 33.810 16.456 786 H LEU 96 H LEU 96 -6.760 34.151 15.246 787 HA LEU 96 HA LEU 96 -6.102 31.674 13.872 788 1HB LEU 96 1HB LEU 96 -8.036 31.916 15.356 789 2HB LEU 96 2HB LEU 96 -8.725 33.120 14.268 790 HG LEU 96 HG LEU 96 -9.928 31.229 13.900 791 1HD1 LEU 96 1HD1 LEU 96 -8.168 31.092 11.575 792 2HD1 LEU 96 2HD1 LEU 96 -9.863 30.693 11.867 793 3HD1 LEU 96 3HD1 LEU 96 -9.361 32.420 11.950 794 1HD2 LEU 96 1HD2 LEU 96 -7.730 29.419 12.913 795 2HD2 LEU 96 2HD2 LEU 96 -8.253 29.420 14.613 796 3HD2 LEU 96 3HD2 LEU 96 -9.398 29.073 13.336 797 H THR 97 H THR 97 -7.748 34.598 12.842 798 HA THR 97 HA THR 97 -8.031 34.123 10.089 799 HB THR 97 HB THR 97 -7.576 36.644 11.746 800 HG1 THR 97 HG1 THR 97 -9.695 36.796 11.570 801 1HG2 THR 97 1HG2 THR 97 -8.180 38.094 9.932 802 2HG2 THR 97 2HG2 THR 97 -6.588 37.364 9.749 803 3HG2 THR 97 3HG2 THR 97 -7.957 36.750 8.780 804 H GLU 98 H GLU 98 -5.095 35.130 11.704 805 HA GLU 98 HA GLU 98 -3.805 35.270 9.039 806 1HB GLU 98 1HB GLU 98 -3.345 36.979 10.922 807 2HB GLU 98 2HB GLU 98 -2.561 35.666 11.817 808 1HG GLU 98 1HG GLU 98 -0.936 35.410 9.951 809 2HG GLU 98 2HG GLU 98 -1.780 36.687 9.053 810 H TYR 99 H TYR 99 -3.861 33.181 11.887 811 HA TYR 99 HA TYR 99 -1.822 31.636 10.756 812 1HB TYR 99 1HB TYR 99 -2.995 31.227 13.163 813 2HB TYR 99 2HB TYR 99 -4.010 30.149 12.255 814 HD1 TYR 99 HD1 TYR 99 -0.306 30.362 11.229 815 HD2 TYR 99 HD2 TYR 99 -3.218 28.182 13.626 816 HE1 TYR 99 HE1 TYR 99 1.306 28.575 11.581 817 HE2 TYR 99 HE2 TYR 99 -1.491 26.406 13.943 818 HH TYR 99 HH TYR 99 0.475 25.687 13.422 819 H CYS 100 H CYS 100 -5.307 31.543 10.135 820 HA CYS 100 HA CYS 100 -5.201 29.059 8.737 821 1HB CYS 100 1HB CYS 100 -7.367 30.264 9.338 822 2HB CYS 100 2HB CYS 100 -7.007 31.461 8.070 823 HG CYS 100 HG CYS 100 -8.824 29.805 7.229 824 H SER 101 H SER 101 -4.760 32.395 7.579 825 HA SER 101 HA SER 101 -4.114 31.483 4.893 826 1HB SER 101 1HB SER 101 -4.857 33.817 5.467 827 2HB SER 101 2HB SER 101 -3.321 34.074 6.321 828 HG SER 101 HG SER 101 -3.259 34.863 4.178 829 H THR 102 H THR 102 -2.146 31.994 7.735 830 HA THR 102 HA THR 102 0.359 31.674 6.329 831 HB THR 102 HB THR 102 -0.249 32.032 9.283 832 HG1 THR 102 HG1 THR 102 0.538 33.822 7.219 833 1HG2 THR 102 1HG2 THR 102 2.062 32.957 9.322 834 2HG2 THR 102 2HG2 THR 102 1.933 31.191 9.226 835 3HG2 THR 102 3HG2 THR 102 2.363 32.158 7.776 836 H LEU 103 H LEU 103 -1.673 29.492 8.072 837 HA LEU 103 HA LEU 103 0.319 27.453 8.408 838 1HB LEU 103 1HB LEU 103 -2.511 27.764 8.847 839 2HB LEU 103 2HB LEU 103 -2.488 26.471 7.936 840 HG LEU 103 HG LEU 103 -1.042 26.576 10.569 841 1HD1 LEU 103 1HD1 LEU 103 -3.645 26.911 10.567 842 2HD1 LEU 103 2HD1 LEU 103 -3.615 25.139 10.551 843 3HD1 LEU 103 3HD1 LEU 103 -2.751 26.049 11.768 844 1HD2 LEU 103 1HD2 LEU 103 -2.293 24.023 9.480 845 2HD2 LEU 103 2HD2 LEU 103 -0.694 24.434 8.888 846 3HD2 LEU 103 3HD2 LEU 103 -0.989 24.187 10.622 847 H MET 104 H MET 104 -1.720 28.523 5.763 848 HA MET 104 HA MET 104 -0.627 26.572 3.793 849 1HB MET 104 1HB MET 104 -2.744 28.752 3.859 850 2HB MET 104 2HB MET 104 -2.283 27.900 2.372 851 1HG MET 104 1HG MET 104 -3.517 26.654 4.846 852 2HG MET 104 2HG MET 104 -4.287 26.946 3.283 853 1HE MET 104 1HE MET 104 -1.682 23.365 4.427 854 2HE MET 104 2HE MET 104 -1.220 24.961 4.972 855 3HE MET 104 3HE MET 104 -2.762 24.302 5.488 856 H SER 105 H SER 105 0.481 29.355 5.033 857 HA SER 105 HA SER 105 1.693 30.123 2.425 858 1HB SER 105 1HB SER 105 0.618 32.030 4.132 859 2HB SER 105 2HB SER 105 2.130 31.711 4.997 860 HG SER 105 HG SER 105 3.205 32.130 2.965 861 H LEU 106 H LEU 106 2.538 29.001 5.745 862 HA LEU 106 HA LEU 106 4.920 29.389 5.862 863 1HB LEU 106 1HB LEU 106 3.492 26.805 6.495 864 2HB LEU 106 2HB LEU 106 5.127 27.145 6.978 865 HG LEU 106 HG LEU 106 2.659 28.241 8.159 866 1HD1 LEU 106 1HD1 LEU 106 3.821 27.808 10.152 867 2HD1 LEU 106 2HD1 LEU 106 4.020 26.404 9.055 868 3HD1 LEU 106 3HD1 LEU 106 5.357 27.551 9.295 869 1HD2 LEU 106 1HD2 LEU 106 3.788 30.385 7.568 870 2HD2 LEU 106 2HD2 LEU 106 3.861 30.040 9.298 871 3HD2 LEU 106 3HD2 LEU 106 5.296 29.776 8.298 872 HA PRO 107 HA PRO 107 7.256 27.484 2.694 873 1HB PRO 107 1HB PRO 107 9.804 27.904 3.429 874 2HB PRO 107 2HB PRO 107 8.721 29.257 2.941 875 1HG PRO 107 1HG PRO 107 9.464 28.350 5.745 876 2HG PRO 107 2HG PRO 107 9.371 30.024 5.136 877 1HD PRO 107 1HD PRO 107 7.380 28.656 6.539 878 2HD PRO 107 2HD PRO 107 7.073 30.083 5.489 879 H THR 108 H THR 108 7.184 26.531 5.867 880 HA THR 108 HA THR 108 8.727 24.005 5.554 881 HB THR 108 HB THR 108 7.385 23.807 7.889 882 HG1 THR 108 HG1 THR 108 6.998 25.855 8.798 883 1HG2 THR 108 1HG2 THR 108 9.795 23.985 7.792 884 2HG2 THR 108 2HG2 THR 108 9.631 25.763 7.650 885 3HG2 THR 108 3HG2 THR 108 9.092 24.918 9.132 886 H LYS 109 H LYS 109 6.901 24.447 3.582 887 HA LYS 109 HA LYS 109 4.466 23.146 4.459 888 1HB LYS 109 1HB LYS 109 4.818 24.707 2.263 889 2HB LYS 109 2HB LYS 109 5.439 23.286 1.467 890 1HG LYS 109 1HG LYS 109 2.787 22.952 2.836 891 2HG LYS 109 2HG LYS 109 2.830 24.110 1.501 892 1HD LYS 109 1HD LYS 109 3.629 22.438 -0.061 893 2HD LYS 109 2HD LYS 109 3.879 21.262 1.229 894 1HE LYS 109 1HE LYS 109 1.844 20.712 0.025 895 2HE LYS 109 2HE LYS 109 1.459 21.173 1.689 896 1HZ LYS 109 1HZ LYS 109 0.819 23.334 0.872 897 2HZ LYS 109 2HZ LYS 109 1.200 22.911 -0.674 898 3HZ LYS 109 3HZ LYS 109 -0.036 22.156 0.107 899 H ILE 110 H ILE 110 7.451 21.904 3.796 900 HA ILE 110 HA ILE 110 6.425 19.175 3.313 901 HB ILE 110 HB ILE 110 9.284 20.195 3.610 902 1HG1 ILE 110 1HG1 ILE 110 7.650 19.558 1.103 903 2HG1 ILE 110 2HG1 ILE 110 8.137 21.172 1.639 904 1HG2 ILE 110 1HG2 ILE 110 9.939 18.020 2.636 905 2HG2 ILE 110 2HG2 ILE 110 9.065 17.778 4.134 906 3HG2 ILE 110 3HG2 ILE 110 8.235 17.518 2.585 907 1HD1 ILE 110 1HD1 ILE 110 9.626 20.558 -0.089 908 2HD1 ILE 110 2HD1 ILE 110 10.543 20.480 1.429 909 3HD1 ILE 110 3HD1 ILE 110 9.979 18.986 0.635 910 H SER 111 H SER 111 7.795 21.145 5.912 911 HA SER 111 HA SER 111 8.056 18.868 7.696 912 1HB SER 111 1HB SER 111 8.175 21.805 8.427 913 2HB SER 111 2HB SER 111 8.855 20.433 9.306 914 HG SER 111 HG SER 111 10.457 21.469 8.076 915 H ARG 112 H ARG 112 5.940 21.591 7.190 916 HA ARG 112 HA ARG 112 4.209 21.163 9.408 917 1HB ARG 112 1HB ARG 112 4.427 23.364 8.273 918 2HB ARG 112 2HB ARG 112 3.751 22.661 6.790 919 1HG ARG 112 1HG ARG 112 2.109 24.017 7.947 920 2HG ARG 112 2HG ARG 112 1.596 22.344 7.772 921 1HD ARG 112 1HD ARG 112 1.025 23.092 9.994 922 2HD ARG 112 2HD ARG 112 2.273 21.884 10.131 923 HE ARG 112 HE ARG 112 3.782 23.438 10.944 924 1HH1 ARG 112 1HH1 ARG 112 1.026 25.139 9.534 925 2HH1 ARG 112 2HH1 ARG 112 1.216 26.556 10.532 926 1HH2 ARG 112 1HH2 ARG 112 4.282 25.589 11.910 927 2HH2 ARG 112 2HH2 ARG 112 2.963 26.705 11.976 928 H CYS 113 H CYS 113 4.184 20.067 6.120 929 HA CYS 113 HA CYS 113 1.730 19.275 5.477 930 1HB CYS 113 1HB CYS 113 3.359 18.734 3.934 931 2HB CYS 113 2HB CYS 113 4.292 17.735 5.048 932 HG CYS 113 HG CYS 113 3.278 16.279 3.186 933 HA PRO 114 HA PRO 114 1.115 15.259 7.862 934 1HB PRO 114 1HB PRO 114 2.949 14.371 9.745 935 2HB PRO 114 2HB PRO 114 3.060 13.947 8.012 936 1HG PRO 114 1HG PRO 114 4.487 16.207 9.448 937 2HG PRO 114 2HG PRO 114 5.207 14.974 8.372 938 1HD PRO 114 1HD PRO 114 4.573 17.419 7.431 939 2HD PRO 114 2HD PRO 114 4.213 15.971 6.447 940 H HIS 115 H HIS 115 2.542 17.892 9.650 941 HA HIS 115 HA HIS 115 0.898 17.301 11.915 942 1HB HIS 115 1HB HIS 115 3.006 18.820 11.769 943 2HB HIS 115 2HB HIS 115 1.864 20.093 11.367 944 HD1 HIS 115 HD1 HIS 115 1.232 17.311 13.944 945 HD2 HIS 115 HD2 HIS 115 2.068 21.417 13.815 946 HE1 HIS 115 HE1 HIS 115 0.984 18.200 16.302 947 H LEU 116 H LEU 116 0.465 19.613 9.103 948 HA LEU 116 HA LEU 116 -1.879 20.372 9.944 949 1HB LEU 116 1HB LEU 116 -0.612 21.250 7.856 950 2HB LEU 116 2HB LEU 116 -1.434 19.997 6.928 951 HG LEU 116 HG LEU 116 -2.373 22.557 8.001 952 1HD1 LEU 116 1HD1 LEU 116 -2.617 21.638 5.447 953 2HD1 LEU 116 2HD1 LEU 116 -3.900 20.627 6.100 954 3HD1 LEU 116 3HD1 LEU 116 -4.088 22.370 6.136 955 1HD2 LEU 116 1HD2 LEU 116 -3.597 21.368 9.539 956 2HD2 LEU 116 2HD2 LEU 116 -4.533 22.273 8.404 957 3HD2 LEU 116 3HD2 LEU 116 -4.463 20.507 8.227 958 H LEU 117 H LEU 117 -1.184 17.704 7.741 959 HA LEU 117 HA LEU 117 -3.808 16.598 7.338 960 1HB LEU 117 1HB LEU 117 -1.123 15.209 7.511 961 2HB LEU 117 2HB LEU 117 -2.657 14.417 7.230 962 HG LEU 117 HG LEU 117 -2.830 16.135 5.077 963 1HD1 LEU 117 1HD1 LEU 117 0.097 15.908 5.641 964 2HD1 LEU 117 2HD1 LEU 117 -0.625 16.278 4.061 965 3HD1 LEU 117 3HD1 LEU 117 -0.894 17.395 5.397 966 1HD2 LEU 117 1HD2 LEU 117 -1.085 13.719 5.085 967 2HD2 LEU 117 2HD2 LEU 117 -2.876 13.651 5.224 968 3HD2 LEU 117 3HD2 LEU 117 -2.159 14.442 3.843 969 H ASP 118 H ASP 118 -1.607 16.186 10.092 970 HA ASP 118 HA ASP 118 -3.612 14.567 11.471 971 1HB ASP 118 1HB ASP 118 -1.029 16.050 12.228 972 2HB ASP 118 2HB ASP 118 -1.963 15.283 13.476 973 H PHE 119 H PHE 119 -3.656 17.828 10.876 974 HA PHE 119 HA PHE 119 -4.835 18.831 13.392 975 1HB PHE 119 1HB PHE 119 -3.347 19.938 11.310 976 2HB PHE 119 2HB PHE 119 -4.961 20.266 10.692 977 HD1 PHE 119 HD1 PHE 119 -2.303 22.255 11.213 978 HD2 PHE 119 HD2 PHE 119 -5.969 21.318 13.340 979 HE1 PHE 119 HE1 PHE 119 -2.216 24.258 12.382 980 HE2 PHE 119 HE2 PHE 119 -5.843 23.493 14.515 981 HZ PHE 119 HZ PHE 119 -3.916 24.991 14.029 982 H PHE 120 H PHE 120 -5.519 17.923 10.151 983 HA PHE 120 HA PHE 120 -8.455 18.287 10.406 984 1HB PHE 120 1HB PHE 120 -6.432 17.666 8.150 985 2HB PHE 120 2HB PHE 120 -8.162 17.883 7.906 986 HD1 PHE 120 HD1 PHE 120 -6.610 19.380 6.267 987 HD2 PHE 120 HD2 PHE 120 -7.551 20.325 10.351 988 HE1 PHE 120 HE1 PHE 120 -6.460 21.785 5.742 989 HE2 PHE 120 HE2 PHE 120 -7.393 22.722 9.846 990 HZ PHE 120 HZ PHE 120 -6.871 23.467 7.566 991 H LYS 121 H LYS 121 -6.295 15.664 9.349 992 HA LYS 121 HA LYS 121 -8.410 13.851 8.920 993 1HB LYS 121 1HB LYS 121 -6.967 12.345 8.202 994 2HB LYS 121 2HB LYS 121 -5.983 13.800 8.055 995 1HG LYS 121 1HG LYS 121 -5.155 13.126 10.461 996 2HG LYS 121 2HG LYS 121 -5.840 11.543 10.063 997 1HD LYS 121 1HD LYS 121 -3.561 13.060 8.765 998 2HD LYS 121 2HD LYS 121 -3.494 11.478 9.525 999 1HE LYS 121 1HE LYS 121 -4.782 10.493 7.638 1000 2HE LYS 121 2HE LYS 121 -4.957 12.091 6.898 1001 1HZ LYS 121 1HZ LYS 121 -2.528 12.185 6.788 1002 2HZ LYS 121 2HZ LYS 121 -2.471 10.596 7.203 1003 3HZ LYS 121 3HZ LYS 121 -3.227 11.074 5.811 1004 H VAL 122 H VAL 122 -6.857 14.805 11.822 1005 HA VAL 122 HA VAL 122 -8.073 12.610 13.377 1006 HB VAL 122 HB VAL 122 -6.342 14.918 14.324 1007 1HG1 VAL 122 1HG1 VAL 122 -5.974 13.449 16.275 1008 2HG1 VAL 122 2HG1 VAL 122 -7.694 13.838 16.108 1009 3HG1 VAL 122 3HG1 VAL 122 -7.092 12.246 15.600 1010 1HG2 VAL 122 1HG2 VAL 122 -4.550 13.112 14.266 1011 2HG2 VAL 122 2HG2 VAL 122 -5.705 12.080 13.378 1012 3HG2 VAL 122 3HG2 VAL 122 -5.131 13.594 12.677 1013 H ARG 123 H ARG 123 -8.161 16.208 13.128 1014 HA ARG 123 HA ARG 123 -9.777 17.705 13.864 1015 1HB ARG 123 1HB ARG 123 -12.004 17.277 12.988 1016 2HB ARG 123 2HB ARG 123 -10.686 17.278 11.842 1017 1HG ARG 123 1HG ARG 123 -10.753 14.726 11.803 1018 2HG ARG 123 2HG ARG 123 -12.155 14.808 12.869 1019 1HD ARG 123 1HD ARG 123 -13.187 16.333 11.050 1020 2HD ARG 123 2HD ARG 123 -11.827 15.827 10.019 1021 HE ARG 123 HE ARG 123 -12.871 13.469 10.947 1022 1HH1 ARG 123 1HH1 ARG 123 -14.350 16.266 9.253 1023 2HH1 ARG 123 2HH1 ARG 123 -15.683 15.326 8.686 1024 1HH2 ARG 123 1HH2 ARG 123 -14.635 12.296 10.141 1025 2HH2 ARG 123 2HH2 ARG 123 -15.823 13.055 9.120 1026 HA PRO 124 HA PRO 124 -11.109 15.657 17.611 1027 1HB PRO 124 1HB PRO 124 -9.500 16.847 19.529 1028 2HB PRO 124 2HB PRO 124 -8.939 15.485 18.523 1029 1HG PRO 124 1HG PRO 124 -8.477 18.432 18.039 1030 2HG PRO 124 2HG PRO 124 -7.274 17.120 18.013 1031 1HD PRO 124 1HD PRO 124 -8.455 18.082 15.729 1032 2HD PRO 124 2HD PRO 124 -7.990 16.377 15.920 1033 H ASP 125 H ASP 125 -12.251 17.691 16.094 1034 HA ASP 125 HA ASP 125 -13.946 18.681 18.156 1035 1HB ASP 125 1HB ASP 125 -12.089 20.480 17.586 1036 2HB ASP 125 2HB ASP 125 -12.926 20.662 16.061 1037 H ASP 126 H ASP 126 -13.632 16.974 15.481 1038 HA ASP 126 HA ASP 126 -16.266 17.694 14.323 1039 1HB ASP 126 1HB ASP 126 -14.526 17.454 12.630 1040 2HB ASP 126 2HB ASP 126 -13.895 16.025 13.449 1041 H LEU 127 H LEU 127 -14.293 14.863 15.440 1042 HA LEU 127 HA LEU 127 -16.724 13.691 16.635 1043 1HB LEU 127 1HB LEU 127 -14.862 12.580 14.452 1044 2HB LEU 127 2HB LEU 127 -15.646 11.404 15.425 1045 HG LEU 127 HG LEU 127 -17.454 13.364 13.798 1046 1HD1 LEU 127 1HD1 LEU 127 -16.714 10.450 13.392 1047 2HD1 LEU 127 2HD1 LEU 127 -17.867 11.427 12.456 1048 3HD1 LEU 127 3HD1 LEU 127 -16.132 11.807 12.395 1049 1HD2 LEU 127 1HD2 LEU 127 -18.503 12.526 15.886 1050 2HD2 LEU 127 2HD2 LEU 127 -19.162 11.751 14.444 1051 3HD2 LEU 127 3HD2 LEU 127 -18.015 10.871 15.466 1052 H LYS 128 H LYS 128 -14.175 14.998 17.556 1053 HA LYS 128 HA LYS 128 -13.655 13.064 19.632 1054 1HB LYS 128 1HB LYS 128 -11.750 13.694 17.361 1055 2HB LYS 128 2HB LYS 128 -10.991 13.945 18.929 1056 1HG LYS 128 1HG LYS 128 -11.587 11.636 19.580 1057 2HG LYS 128 2HG LYS 128 -12.364 11.393 17.998 1058 1HD LYS 128 1HD LYS 128 -10.201 11.967 16.869 1059 2HD LYS 128 2HD LYS 128 -9.414 12.046 18.451 1060 1HE LYS 128 1HE LYS 128 -10.789 9.601 17.224 1061 2HE LYS 128 2HE LYS 128 -9.042 9.874 17.304 1062 1HZ LYS 128 1HZ LYS 128 -9.770 8.440 19.046 1063 2HZ LYS 128 2HZ LYS 128 -9.209 9.845 19.697 1064 3HZ LYS 128 3HZ LYS 128 -10.831 9.562 19.615 1065 H LEU 129 H LEU 129 -15.120 15.335 19.310 1066 HA LEU 129 HA LEU 129 -14.172 17.757 20.099 1067 1HB LEU 129 1HB LEU 129 -16.762 16.209 20.695 1068 2HB LEU 129 2HB LEU 129 -16.704 17.902 20.978 1069 HG LEU 129 HG LEU 129 -16.232 17.072 18.034 1070 1HD1 LEU 129 1HD1 LEU 129 -18.061 15.633 18.832 1071 2HD1 LEU 129 2HD1 LEU 129 -18.865 17.046 19.557 1072 3HD1 LEU 129 3HD1 LEU 129 -18.650 16.949 17.792 1073 1HD2 LEU 129 1HD2 LEU 129 -16.171 19.443 18.792 1074 2HD2 LEU 129 2HD2 LEU 129 -17.587 19.104 17.768 1075 3HD2 LEU 129 3HD2 LEU 129 -17.777 19.262 19.516 1076 HA PRO 130 HA PRO 130 -13.866 17.573 24.574 1077 1HB PRO 130 1HB PRO 130 -15.291 20.119 25.011 1078 2HB PRO 130 2HB PRO 130 -13.549 19.786 25.171 1079 1HG PRO 130 1HG PRO 130 -14.548 21.377 23.159 1080 2HG PRO 130 2HG PRO 130 -13.154 20.278 22.908 1081 1HD PRO 130 1HD PRO 130 -16.072 19.697 22.386 1082 2HD PRO 130 2HD PRO 130 -14.755 19.617 21.205 Start of MODEL 3 1 1H GLY 1 1H GLY 1 1.441 0.210 2.377 2 2H GLY 1 2H GLY 1 2.677 1.120 1.750 3 3H GLY 1 3H GLY 1 1.314 1.858 2.283 4 1HA GLY 1 1HA GLY 1 1.467 0.027 -0.004 5 2HA GLY 1 2HA GLY 1 0.012 0.879 0.559 6 H SER 2 H SER 2 0.249 1.579 -1.864 7 HA SER 2 HA SER 2 2.269 3.421 -2.618 8 1HB SER 2 1HB SER 2 0.748 2.178 -4.188 9 2HB SER 2 2HB SER 2 -0.579 3.250 -3.689 10 HG SER 2 HG SER 2 0.832 5.007 -4.385 11 H MET 3 H MET 3 -0.775 3.817 -0.941 12 HA MET 3 HA MET 3 -0.038 6.461 -0.019 13 1HB MET 3 1HB MET 3 -1.156 6.777 -2.290 14 2HB MET 3 2HB MET 3 -2.629 6.099 -1.588 15 1HG MET 3 1HG MET 3 -2.797 8.036 -0.062 16 2HG MET 3 2HG MET 3 -1.191 8.593 -0.548 17 1HE MET 3 1HE MET 3 -4.091 7.235 -2.972 18 2HE MET 3 2HE MET 3 -4.900 8.075 -1.625 19 3HE MET 3 3HE MET 3 -4.922 8.777 -3.257 20 H GLY 4 H GLY 4 -1.507 7.069 1.805 21 1HA GLY 4 1HA GLY 4 -3.718 5.813 2.841 22 2HA GLY 4 2HA GLY 4 -2.337 4.845 3.461 23 H ASP 5 H ASP 5 -3.052 8.168 2.703 24 HA ASP 5 HA ASP 5 -3.207 9.226 5.222 25 1HB ASP 5 1HB ASP 5 -0.607 8.730 5.376 26 2HB ASP 5 2HB ASP 5 -0.386 9.566 3.858 27 H THR 6 H THR 6 -1.999 9.584 1.974 28 HA THR 6 HA THR 6 -2.048 11.102 0.307 29 HB THR 6 HB THR 6 -4.320 10.064 0.348 30 HG1 THR 6 HG1 THR 6 -4.954 11.301 -1.278 31 1HG2 THR 6 1HG2 THR 6 -5.224 11.146 2.232 32 2HG2 THR 6 2HG2 THR 6 -4.880 12.777 1.611 33 3HG2 THR 6 3HG2 THR 6 -6.062 11.762 0.773 34 H PHE 7 H PHE 7 -3.395 13.488 -0.061 35 HA PHE 7 HA PHE 7 -2.112 15.240 2.000 36 1HB PHE 7 1HB PHE 7 -1.531 15.495 -0.925 37 2HB PHE 7 2HB PHE 7 -0.701 16.262 0.392 38 HD1 PHE 7 HD1 PHE 7 -0.996 12.985 -1.525 39 HD2 PHE 7 HD2 PHE 7 0.616 14.630 2.183 40 HE1 PHE 7 HE1 PHE 7 0.434 11.065 -1.251 41 HE2 PHE 7 HE2 PHE 7 2.015 12.681 2.400 42 HZ PHE 7 HZ PHE 7 1.963 10.876 0.696 43 H ILE 8 H ILE 8 -2.119 17.599 1.405 44 HA ILE 8 HA ILE 8 -4.925 18.222 1.496 45 HB ILE 8 HB ILE 8 -2.511 20.021 2.021 46 1HG1 ILE 8 1HG1 ILE 8 -2.442 18.055 3.541 47 2HG1 ILE 8 2HG1 ILE 8 -2.773 19.558 4.368 48 1HG2 ILE 8 1HG2 ILE 8 -4.218 21.185 3.518 49 2HG2 ILE 8 2HG2 ILE 8 -4.297 21.447 1.778 50 3HG2 ILE 8 3HG2 ILE 8 -5.459 20.350 2.555 51 1HD1 ILE 8 1HD1 ILE 8 -4.755 17.344 3.729 52 2HD1 ILE 8 2HD1 ILE 8 -4.283 17.989 5.318 53 3HD1 ILE 8 3HD1 ILE 8 -5.274 18.959 4.234 54 H ARG 9 H ARG 9 -5.966 19.958 0.258 55 HA ARG 9 HA ARG 9 -4.549 20.710 -2.251 56 1HB ARG 9 1HB ARG 9 -7.071 19.714 -2.137 57 2HB ARG 9 2HB ARG 9 -7.522 21.282 -1.535 58 1HG ARG 9 1HG ARG 9 -6.058 20.795 -4.163 59 2HG ARG 9 2HG ARG 9 -7.807 20.976 -3.974 60 1HD ARG 9 1HD ARG 9 -7.458 23.257 -3.005 61 2HD ARG 9 2HD ARG 9 -5.734 23.138 -3.359 62 HE ARG 9 HE ARG 9 -7.915 23.652 -5.200 63 1HH1 ARG 9 1HH1 ARG 9 -4.595 22.430 -4.980 64 2HH1 ARG 9 2HH1 ARG 9 -4.197 22.812 -6.632 65 1HH2 ARG 9 1HH2 ARG 9 -7.397 24.150 -7.377 66 2HH2 ARG 9 2HH2 ARG 9 -5.816 23.795 -8.009 67 H HIS 10 H HIS 10 -6.685 22.066 0.296 68 HA HIS 10 HA HIS 10 -4.893 23.973 1.273 69 1HB HIS 10 1HB HIS 10 -5.196 25.809 -0.092 70 2HB HIS 10 2HB HIS 10 -5.854 24.768 -1.311 71 HD1 HIS 10 HD1 HIS 10 -6.558 27.895 -0.095 72 HD2 HIS 10 HD2 HIS 10 -8.989 24.519 -0.566 73 HE1 HIS 10 HE1 HIS 10 -8.984 28.677 -0.205 74 H ILE 11 H ILE 11 -6.344 25.963 2.149 75 HA ILE 11 HA ILE 11 -8.438 24.693 3.736 76 HB ILE 11 HB ILE 11 -6.728 26.840 4.943 77 1HG1 ILE 11 1HG1 ILE 11 -5.873 23.915 4.883 78 2HG1 ILE 11 2HG1 ILE 11 -5.057 25.248 4.090 79 1HG2 ILE 11 1HG2 ILE 11 -7.375 25.594 7.019 80 2HG2 ILE 11 2HG2 ILE 11 -8.766 26.145 6.101 81 3HG2 ILE 11 3HG2 ILE 11 -8.296 24.448 6.020 82 1HD1 ILE 11 1HD1 ILE 11 -3.818 24.860 6.032 83 2HD1 ILE 11 2HD1 ILE 11 -4.688 26.385 6.266 84 3HD1 ILE 11 3HD1 ILE 11 -5.228 24.918 7.092 85 H ALA 12 H ALA 12 -10.230 26.054 4.370 86 HA ALA 12 HA ALA 12 -10.351 28.818 3.357 87 1HB ALA 12 1HB ALA 12 -12.676 28.251 2.509 88 2HB ALA 12 2HB ALA 12 -11.401 27.466 1.560 89 3HB ALA 12 3HB ALA 12 -12.317 26.536 2.752 90 H LEU 13 H LEU 13 -12.416 29.789 4.506 91 HA LEU 13 HA LEU 13 -13.063 28.244 6.811 92 1HB LEU 13 1HB LEU 13 -11.051 29.737 7.163 93 2HB LEU 13 2HB LEU 13 -12.065 31.146 7.055 94 HG LEU 13 HG LEU 13 -12.087 28.928 9.284 95 1HD1 LEU 13 1HD1 LEU 13 -10.828 31.652 9.286 96 2HD1 LEU 13 2HD1 LEU 13 -10.820 30.352 10.493 97 3HD1 LEU 13 3HD1 LEU 13 -9.960 30.119 8.983 98 1HD2 LEU 13 1HD2 LEU 13 -14.207 30.170 9.448 99 2HD2 LEU 13 2HD2 LEU 13 -13.104 30.494 10.772 100 3HD2 LEU 13 3HD2 LEU 13 -13.298 31.705 9.499 101 H LEU 14 H LEU 14 -15.009 28.577 7.757 102 HA LEU 14 HA LEU 14 -16.847 29.942 5.852 103 1HB LEU 14 1HB LEU 14 -16.925 27.403 7.303 104 2HB LEU 14 2HB LEU 14 -17.984 28.336 8.169 105 HG LEU 14 HG LEU 14 -19.033 29.034 5.845 106 1HD1 LEU 14 1HD1 LEU 14 -17.950 26.608 4.471 107 2HD1 LEU 14 2HD1 LEU 14 -18.277 28.203 3.839 108 3HD1 LEU 14 3HD1 LEU 14 -16.766 27.897 4.691 109 1HD2 LEU 14 1HD2 LEU 14 -20.130 27.394 7.283 110 2HD2 LEU 14 2HD2 LEU 14 -20.337 26.994 5.568 111 3HD2 LEU 14 3HD2 LEU 14 -19.179 26.083 6.555 112 H GLY 15 H GLY 15 -16.175 29.812 9.293 113 1HA GLY 15 1HA GLY 15 -16.277 32.580 9.666 114 2HA GLY 15 2HA GLY 15 -17.984 32.114 9.723 115 H PHE 16 H PHE 16 -18.638 32.181 11.761 116 HA PHE 16 HA PHE 16 -16.804 31.575 13.861 117 1HB PHE 16 1HB PHE 16 -18.878 33.392 13.498 118 2HB PHE 16 2HB PHE 16 -19.721 32.195 14.381 119 HD1 PHE 16 HD1 PHE 16 -16.048 33.488 14.807 120 HD2 PHE 16 HD2 PHE 16 -19.978 33.194 16.679 121 HE1 PHE 16 HE1 PHE 16 -15.191 34.452 16.828 122 HE2 PHE 16 HE2 PHE 16 -19.052 34.171 18.685 123 HZ PHE 16 HZ PHE 16 -16.657 34.813 18.801 124 H GLU 17 H GLU 17 -18.694 30.479 15.786 125 HA GLU 17 HA GLU 17 -20.339 28.435 15.031 126 1HB GLU 17 1HB GLU 17 -18.588 27.187 14.014 127 2HB GLU 17 2HB GLU 17 -17.487 27.499 15.338 128 1HG GLU 17 1HG GLU 17 -18.146 25.195 15.258 129 2HG GLU 17 2HG GLU 17 -18.812 25.881 16.729 130 H LYS 18 H LYS 18 -20.798 26.997 16.933 131 HA LYS 18 HA LYS 18 -20.455 28.305 19.529 132 1HB LYS 18 1HB LYS 18 -22.696 27.873 20.040 133 2HB LYS 18 2HB LYS 18 -22.519 28.902 18.622 134 1HG LYS 18 1HG LYS 18 -23.643 26.087 18.744 135 2HG LYS 18 2HG LYS 18 -24.415 27.585 18.230 136 1HD LYS 18 1HD LYS 18 -22.734 27.635 16.296 137 2HD LYS 18 2HD LYS 18 -22.298 25.974 16.834 138 1HE LYS 18 1HE LYS 18 -24.446 25.125 16.349 139 2HE LYS 18 2HE LYS 18 -25.058 26.731 15.892 140 1HZ LYS 18 1HZ LYS 18 -24.253 25.244 14.037 141 2HZ LYS 18 2HZ LYS 18 -23.630 26.771 14.062 142 3HZ LYS 18 3HZ LYS 18 -22.712 25.535 14.581 143 H ARG 19 H ARG 19 -18.936 26.793 20.381 144 HA ARG 19 HA ARG 19 -19.920 24.051 20.991 145 1HB ARG 19 1HB ARG 19 -17.326 25.013 19.923 146 2HB ARG 19 2HB ARG 19 -17.173 24.114 21.428 147 1HG ARG 19 1HG ARG 19 -16.850 22.618 19.632 148 2HG ARG 19 2HG ARG 19 -18.354 22.191 20.456 149 1HD ARG 19 1HD ARG 19 -19.673 23.151 18.641 150 2HD ARG 19 2HD ARG 19 -18.218 23.801 17.863 151 HE ARG 19 HE ARG 19 -17.523 21.241 17.926 152 1HH1 ARG 19 1HH1 ARG 19 -20.499 22.732 16.636 153 2HH1 ARG 19 2HH1 ARG 19 -21.022 21.262 15.874 154 1HH2 ARG 19 1HH2 ARG 19 -18.012 19.532 16.513 155 2HH2 ARG 19 2HH2 ARG 19 -19.545 19.482 15.691 156 H PHE 20 H PHE 20 -20.914 24.469 22.904 157 HA PHE 20 HA PHE 20 -19.910 26.532 24.613 158 1HB PHE 20 1HB PHE 20 -21.934 24.255 25.209 159 2HB PHE 20 2HB PHE 20 -22.176 25.824 25.826 160 HD1 PHE 20 HD1 PHE 20 -23.004 23.473 22.921 161 HD2 PHE 20 HD2 PHE 20 -22.889 27.764 23.846 162 HE1 PHE 20 HE1 PHE 20 -24.426 23.959 21.101 163 HE2 PHE 20 HE2 PHE 20 -24.330 28.151 21.993 164 HZ PHE 20 HZ PHE 20 -25.139 26.277 20.586 165 H VAL 21 H VAL 21 -19.120 23.305 24.129 166 HA VAL 21 HA VAL 21 -18.459 22.892 26.876 167 HB VAL 21 HB VAL 21 -18.794 20.273 25.593 168 1HG1 VAL 21 1HG1 VAL 21 -19.659 21.087 27.874 169 2HG1 VAL 21 2HG1 VAL 21 -20.832 22.096 26.995 170 3HG1 VAL 21 3HG1 VAL 21 -20.932 20.321 26.880 171 1HG2 VAL 21 1HG2 VAL 21 -20.704 20.245 24.482 172 2HG2 VAL 21 2HG2 VAL 21 -20.967 22.001 24.618 173 3HG2 VAL 21 3HG2 VAL 21 -19.575 21.364 23.661 174 HA PRO 22 HA PRO 22 -17.302 20.782 27.649 175 1HB PRO 22 1HB PRO 22 -15.019 20.202 28.962 176 2HB PRO 22 2HB PRO 22 -15.552 19.301 27.516 177 1HG PRO 22 1HG PRO 22 -13.521 21.529 27.663 178 2HG PRO 22 2HG PRO 22 -13.394 19.973 26.790 179 1HD PRO 22 1HD PRO 22 -14.214 22.413 25.720 180 2HD PRO 22 2HD PRO 22 -14.627 20.839 24.975 181 H SER 23 H SER 23 -16.105 23.769 26.988 182 HA SER 23 HA SER 23 -16.825 24.880 29.538 183 1HB SER 23 1HB SER 23 -13.994 25.120 28.250 184 2HB SER 23 2HB SER 23 -14.554 26.366 29.352 185 HG SER 23 HG SER 23 -14.748 23.649 30.088 186 H GLN 24 H GLN 24 -17.017 27.388 29.302 187 HA GLN 24 HA GLN 24 -18.574 27.788 26.979 188 1HB GLN 24 1HB GLN 24 -17.705 29.869 28.936 189 2HB GLN 24 2HB GLN 24 -19.119 29.814 27.908 190 1HG GLN 24 1HG GLN 24 -18.773 27.943 30.438 191 2HG GLN 24 2HG GLN 24 -20.032 29.110 30.242 192 1HE2 GLN 24 1HE2 GLN 24 -19.098 25.934 29.779 193 2HE2 GLN 24 2HE2 GLN 24 -20.318 25.444 28.619 194 H HIS 25 H HIS 25 -17.544 28.301 24.932 195 HA HIS 25 HA HIS 25 -16.090 30.695 24.743 196 1HB HIS 25 1HB HIS 25 -14.251 29.037 23.512 197 2HB HIS 25 2HB HIS 25 -14.028 29.528 25.222 198 HD1 HIS 25 HD1 HIS 25 -15.710 26.799 23.091 199 HD2 HIS 25 HD2 HIS 25 -13.344 27.139 26.526 200 HE1 HIS 25 HE1 HIS 25 -15.239 24.481 23.855 201 H TYR 26 H TYR 26 -16.868 31.446 22.543 202 HA TYR 26 HA TYR 26 -17.917 29.294 20.871 203 1HB TYR 26 1HB TYR 26 -17.746 32.296 20.574 204 2HB TYR 26 2HB TYR 26 -17.937 31.341 19.156 205 HD1 TYR 26 HD1 TYR 26 -19.612 30.476 22.563 206 HD2 TYR 26 HD2 TYR 26 -20.423 31.865 18.486 207 HE1 TYR 26 HE1 TYR 26 -21.947 30.282 22.916 208 HE2 TYR 26 HE2 TYR 26 -22.738 31.646 18.925 209 HH TYR 26 HH TYR 26 -24.387 31.095 20.435 210 H VAL 27 H VAL 27 -17.196 28.882 18.671 211 HA VAL 27 HA VAL 27 -14.213 29.007 18.371 212 HB VAL 27 HB VAL 27 -14.229 26.614 17.999 213 1HG1 VAL 27 1HG1 VAL 27 -15.147 25.667 20.038 214 2HG1 VAL 27 2HG1 VAL 27 -14.378 27.230 20.405 215 3HG1 VAL 27 3HG1 VAL 27 -16.148 27.063 20.327 216 1HG2 VAL 27 1HG2 VAL 27 -16.224 25.235 17.966 217 2HG2 VAL 27 2HG2 VAL 27 -17.232 26.706 18.006 218 3HG2 VAL 27 3HG2 VAL 27 -16.159 26.348 16.618 219 H TYR 28 H TYR 28 -13.819 27.898 15.941 220 HA TYR 28 HA TYR 28 -15.674 29.296 14.264 221 1HB TYR 28 1HB TYR 28 -13.286 29.188 12.805 222 2HB TYR 28 2HB TYR 28 -14.072 30.550 13.629 223 HD1 TYR 28 HD1 TYR 28 -11.787 27.730 14.569 224 HD2 TYR 28 HD2 TYR 28 -12.768 31.895 14.892 225 HE1 TYR 28 HE1 TYR 28 -9.930 28.049 16.080 226 HE2 TYR 28 HE2 TYR 28 -10.822 32.246 16.409 227 HH TYR 28 HH TYR 28 -8.542 29.684 17.135 228 H MET 29 H MET 29 -16.370 28.609 12.384 229 HA MET 29 HA MET 29 -16.230 25.751 12.026 230 1HB MET 29 1HB MET 29 -18.247 27.053 11.869 231 2HB MET 29 2HB MET 29 -17.709 27.875 10.398 232 1HG MET 29 1HG MET 29 -18.770 25.088 10.924 233 2HG MET 29 2HG MET 29 -19.336 26.320 9.807 234 1HE MET 29 1HE MET 29 -16.475 23.961 10.641 235 2HE MET 29 2HE MET 29 -17.809 22.962 10.028 236 3HE MET 29 3HE MET 29 -16.286 23.070 9.114 237 H PHE 30 H PHE 30 -14.419 24.941 10.846 238 HA PHE 30 HA PHE 30 -12.961 26.642 9.125 239 1HB PHE 30 1HB PHE 30 -12.391 25.010 11.423 240 2HB PHE 30 2HB PHE 30 -12.014 24.001 10.075 241 HD1 PHE 30 HD1 PHE 30 -11.266 27.842 10.981 242 HD2 PHE 30 HD2 PHE 30 -9.695 24.062 9.489 243 HE1 PHE 30 HE1 PHE 30 -9.040 28.778 10.667 244 HE2 PHE 30 HE2 PHE 30 -7.498 25.098 9.240 245 HZ PHE 30 HZ PHE 30 -7.176 27.471 9.827 246 H LEU 31 H LEU 31 -12.585 25.934 6.875 247 HA LEU 31 HA LEU 31 -13.835 23.425 6.067 248 1HB LEU 31 1HB LEU 31 -13.441 26.083 4.766 249 2HB LEU 31 2HB LEU 31 -13.486 24.647 3.741 250 HG LEU 31 HG LEU 31 -15.649 25.866 4.023 251 1HD1 LEU 31 1HD1 LEU 31 -17.009 23.852 4.222 252 2HD1 LEU 31 2HD1 LEU 31 -15.561 23.552 3.229 253 3HD1 LEU 31 3HD1 LEU 31 -15.634 22.961 4.907 254 1HD2 LEU 31 1HD2 LEU 31 -15.709 24.548 6.773 255 2HD2 LEU 31 2HD2 LEU 31 -15.360 26.272 6.491 256 3HD2 LEU 31 3HD2 LEU 31 -16.940 25.556 6.052 257 H VAL 32 H VAL 32 -12.509 21.663 5.544 258 HA VAL 32 HA VAL 32 -9.768 22.413 4.779 259 HB VAL 32 HB VAL 32 -9.397 21.140 6.480 260 1HG1 VAL 32 1HG1 VAL 32 -11.677 19.269 5.821 261 2HG1 VAL 32 2HG1 VAL 32 -10.546 19.114 7.189 262 3HG1 VAL 32 3HG1 VAL 32 -11.651 20.495 7.125 263 1HG2 VAL 32 1HG2 VAL 32 -8.681 18.890 5.693 264 2HG2 VAL 32 2HG2 VAL 32 -9.655 19.095 4.246 265 3HG2 VAL 32 3HG2 VAL 32 -8.272 20.163 4.517 266 H LYS 33 H LYS 33 -9.098 21.859 2.666 267 HA LYS 33 HA LYS 33 -11.130 20.558 0.968 268 1HB LYS 33 1HB LYS 33 -10.642 22.950 0.450 269 2HB LYS 33 2HB LYS 33 -8.975 22.452 0.118 270 1HG LYS 33 1HG LYS 33 -10.023 22.518 -1.993 271 2HG LYS 33 2HG LYS 33 -9.918 20.802 -1.591 272 1HD LYS 33 1HD LYS 33 -12.384 21.048 -0.737 273 2HD LYS 33 2HD LYS 33 -12.334 22.658 -1.451 274 1HE LYS 33 1HE LYS 33 -13.357 21.193 -3.044 275 2HE LYS 33 2HE LYS 33 -11.748 21.579 -3.673 276 1HZ LYS 33 1HZ LYS 33 -12.515 19.127 -2.232 277 2HZ LYS 33 2HZ LYS 33 -12.278 19.246 -3.855 278 3HZ LYS 33 3HZ LYS 33 -11.010 19.427 -2.821 279 H TRP 34 H TRP 34 -10.493 18.290 0.693 280 HA TRP 34 HA TRP 34 -7.603 17.881 0.733 281 1HB TRP 34 1HB TRP 34 -9.854 15.926 0.703 282 2HB TRP 34 2HB TRP 34 -8.161 15.528 0.650 283 HD1 TRP 34 HD1 TRP 34 -10.618 17.183 3.083 284 HE1 TRP 34 HE1 TRP 34 -9.813 16.662 5.500 285 HE3 TRP 34 HE3 TRP 34 -6.286 14.757 1.978 286 HZ2 TRP 34 HZ2 TRP 34 -7.550 15.349 6.752 287 HZ3 TRP 34 HZ3 TRP 34 -4.843 13.876 3.764 288 HH2 TRP 34 HH2 TRP 34 -5.460 14.137 6.138 289 H GLN 35 H GLN 35 -6.553 16.855 -1.095 290 HA GLN 35 HA GLN 35 -7.933 17.424 -3.675 291 1HB GLN 35 1HB GLN 35 -5.441 16.987 -4.636 292 2HB GLN 35 2HB GLN 35 -5.518 18.343 -3.537 293 1HG GLN 35 1HG GLN 35 -3.611 17.104 -3.095 294 2HG GLN 35 2HG GLN 35 -4.675 16.966 -1.711 295 1HE2 GLN 35 1HE2 GLN 35 -4.969 14.891 -0.936 296 2HE2 GLN 35 2HE2 GLN 35 -4.591 13.424 -1.824 297 H ASP 36 H ASP 36 -8.054 15.000 -1.690 298 HA ASP 36 HA ASP 36 -8.524 13.013 -3.786 299 1HB ASP 36 1HB ASP 36 -6.282 12.514 -2.626 300 2HB ASP 36 2HB ASP 36 -7.026 12.698 -1.050 301 H LEU 37 H LEU 37 -8.834 13.269 -0.234 302 HA LEU 37 HA LEU 37 -11.410 12.081 -0.104 303 1HB LEU 37 1HB LEU 37 -9.994 13.890 1.776 304 2HB LEU 37 2HB LEU 37 -11.566 13.178 2.080 305 HG LEU 37 HG LEU 37 -10.471 10.781 1.984 306 1HD1 LEU 37 1HD1 LEU 37 -8.017 10.790 2.276 307 2HD1 LEU 37 2HD1 LEU 37 -8.490 11.290 0.653 308 3HD1 LEU 37 3HD1 LEU 37 -7.980 12.517 1.845 309 1HD2 LEU 37 1HD2 LEU 37 -9.465 12.686 4.021 310 2HD2 LEU 37 2HD2 LEU 37 -11.049 11.847 3.991 311 3HD2 LEU 37 3HD2 LEU 37 -9.553 10.897 4.089 312 H SER 38 H SER 38 -10.628 15.154 -1.354 313 HA SER 38 HA SER 38 -11.911 16.921 -2.076 314 1HB SER 38 1HB SER 38 -14.237 14.853 -1.715 315 2HB SER 38 2HB SER 38 -14.374 16.330 -2.626 316 HG SER 38 HG SER 38 -12.468 14.282 -3.089 317 H GLU 39 H GLU 39 -14.498 17.784 -1.214 318 HA GLU 39 HA GLU 39 -13.642 19.469 0.743 319 1HB GLU 39 1HB GLU 39 -16.523 19.669 0.858 320 2HB GLU 39 2HB GLU 39 -15.618 20.426 -0.426 321 1HG GLU 39 1HG GLU 39 -17.516 19.177 -1.202 322 2HG GLU 39 2HG GLU 39 -16.056 18.549 -1.927 323 H LYS 40 H LYS 40 -13.662 19.450 3.068 324 HA LYS 40 HA LYS 40 -15.524 17.600 4.383 325 1HB LYS 40 1HB LYS 40 -12.545 17.235 4.315 326 2HB LYS 40 2HB LYS 40 -13.301 17.210 5.903 327 1HG LYS 40 1HG LYS 40 -13.181 14.984 5.245 328 2HG LYS 40 2HG LYS 40 -14.875 15.441 5.182 329 1HD LYS 40 1HD LYS 40 -13.602 15.836 2.574 330 2HD LYS 40 2HD LYS 40 -13.228 14.237 3.167 331 1HE LYS 40 1HE LYS 40 -15.417 13.483 3.185 332 2HE LYS 40 2HE LYS 40 -16.120 15.102 3.300 333 1HZ LYS 40 1HZ LYS 40 -14.739 14.163 0.888 334 2HZ LYS 40 2HZ LYS 40 -16.378 14.071 1.115 335 3HZ LYS 40 3HZ LYS 40 -15.642 15.528 1.075 336 H VAL 41 H VAL 41 -15.937 18.370 6.630 337 HA VAL 41 HA VAL 41 -14.993 21.109 6.995 338 HB VAL 41 HB VAL 41 -17.061 21.789 7.472 339 1HG1 VAL 41 1HG1 VAL 41 -18.524 21.146 5.689 340 2HG1 VAL 41 2HG1 VAL 41 -16.868 21.039 5.084 341 3HG1 VAL 41 3HG1 VAL 41 -17.743 19.565 5.519 342 1HG2 VAL 41 1HG2 VAL 41 -17.887 18.945 8.093 343 2HG2 VAL 41 2HG2 VAL 41 -17.669 20.281 9.249 344 3HG2 VAL 41 3HG2 VAL 41 -18.989 20.348 8.077 345 H VAL 42 H VAL 42 -14.501 21.824 9.168 346 HA VAL 42 HA VAL 42 -14.786 19.820 11.260 347 HB VAL 42 HB VAL 42 -12.425 19.860 11.924 348 1HG1 VAL 42 1HG1 VAL 42 -11.326 18.647 10.134 349 2HG1 VAL 42 2HG1 VAL 42 -13.028 18.145 10.265 350 3HG1 VAL 42 3HG1 VAL 42 -12.504 19.226 8.952 351 1HG2 VAL 42 1HG2 VAL 42 -11.725 22.079 11.259 352 2HG2 VAL 42 2HG2 VAL 42 -10.652 20.897 10.516 353 3HG2 VAL 42 3HG2 VAL 42 -11.911 21.673 9.534 354 H TYR 43 H TYR 43 -14.477 20.720 13.420 355 HA TYR 43 HA TYR 43 -15.108 23.551 13.494 356 1HB TYR 43 1HB TYR 43 -15.239 21.603 15.717 357 2HB TYR 43 2HB TYR 43 -16.095 23.093 15.516 358 HD1 TYR 43 HD1 TYR 43 -15.953 19.525 13.731 359 HD2 TYR 43 HD2 TYR 43 -18.472 23.045 14.359 360 HE1 TYR 43 HE1 TYR 43 -17.732 18.514 12.613 361 HE2 TYR 43 HE2 TYR 43 -20.203 21.957 13.223 362 HH TYR 43 HH TYR 43 -20.891 20.089 12.030 363 H ARG 44 H ARG 44 -13.624 24.916 14.650 364 HA ARG 44 HA ARG 44 -11.307 23.524 15.972 365 1HB ARG 44 1HB ARG 44 -11.167 25.776 13.965 366 2HB ARG 44 2HB ARG 44 -9.825 25.311 15.009 367 1HG ARG 44 1HG ARG 44 -11.103 23.534 12.895 368 2HG ARG 44 2HG ARG 44 -9.685 24.556 12.668 369 1HD ARG 44 1HD ARG 44 -8.800 22.416 13.008 370 2HD ARG 44 2HD ARG 44 -8.536 23.286 14.533 371 HE ARG 44 HE ARG 44 -11.029 21.733 14.273 372 1HH1 ARG 44 1HH1 ARG 44 -7.718 21.522 15.563 373 2HH1 ARG 44 2HH1 ARG 44 -8.250 20.733 17.032 374 1HH2 ARG 44 1HH2 ARG 44 -11.666 20.747 16.048 375 2HH2 ARG 44 2HH2 ARG 44 -10.613 20.286 17.344 376 H ARG 45 H ARG 45 -10.756 24.409 17.983 377 HA ARG 45 HA ARG 45 -12.111 26.880 18.847 378 1HB ARG 45 1HB ARG 45 -10.596 24.672 20.319 379 2HB ARG 45 2HB ARG 45 -11.317 26.065 21.120 380 1HG ARG 45 1HG ARG 45 -13.338 25.149 21.211 381 2HG ARG 45 2HG ARG 45 -13.291 24.652 19.497 382 1HD ARG 45 1HD ARG 45 -13.577 22.749 21.052 383 2HD ARG 45 2HD ARG 45 -12.149 22.662 20.001 384 HE ARG 45 HE ARG 45 -11.593 23.810 22.620 385 1HH1 ARG 45 1HH1 ARG 45 -12.033 20.680 20.964 386 2HH1 ARG 45 2HH1 ARG 45 -10.444 20.123 21.445 387 1HH2 ARG 45 1HH2 ARG 45 -9.725 22.781 23.609 388 2HH2 ARG 45 2HH2 ARG 45 -9.277 21.187 23.059 389 H PHE 46 H PHE 46 -10.741 28.442 20.170 390 HA PHE 46 HA PHE 46 -8.270 29.048 18.912 391 1HB PHE 46 1HB PHE 46 -7.953 30.607 20.791 392 2HB PHE 46 2HB PHE 46 -9.432 30.799 19.868 393 HD1 PHE 46 HD1 PHE 46 -11.584 30.703 20.893 394 HD2 PHE 46 HD2 PHE 46 -8.048 29.682 23.153 395 HE1 PHE 46 HE1 PHE 46 -12.892 30.770 22.984 396 HE2 PHE 46 HE2 PHE 46 -9.368 29.744 25.240 397 HZ PHE 46 HZ PHE 46 -11.787 30.287 25.169 398 H THR 47 H THR 47 -8.919 27.580 21.980 399 HA THR 47 HA THR 47 -6.266 26.987 22.797 400 HB THR 47 HB THR 47 -8.020 26.850 24.400 401 HG1 THR 47 HG1 THR 47 -6.295 25.138 24.354 402 1HG2 THR 47 1HG2 THR 47 -9.299 24.730 22.629 403 2HG2 THR 47 2HG2 THR 47 -9.771 25.049 24.313 404 3HG2 THR 47 3HG2 THR 47 -9.986 26.306 23.095 405 H GLU 48 H GLU 48 -8.134 25.399 20.271 406 HA GLU 48 HA GLU 48 -6.518 22.983 20.261 407 1HB GLU 48 1HB GLU 48 -8.565 24.163 18.325 408 2HB GLU 48 2HB GLU 48 -7.599 22.814 17.995 409 1HG GLU 48 1HG GLU 48 -9.243 22.876 20.516 410 2HG GLU 48 2HG GLU 48 -9.965 22.367 18.974 411 H ILE 49 H ILE 49 -6.884 25.995 18.294 412 HA ILE 49 HA ILE 49 -4.731 25.374 16.516 413 HB ILE 49 HB ILE 49 -5.826 28.075 17.426 414 1HG1 ILE 49 1HG1 ILE 49 -6.188 28.160 14.898 415 2HG1 ILE 49 2HG1 ILE 49 -5.928 26.422 14.836 416 1HG2 ILE 49 1HG2 ILE 49 -4.322 29.006 15.605 417 2HG2 ILE 49 2HG2 ILE 49 -3.514 28.535 17.085 418 3HG2 ILE 49 3HG2 ILE 49 -3.463 27.438 15.697 419 1HD1 ILE 49 1HD1 ILE 49 -7.964 27.867 16.524 420 2HD1 ILE 49 2HD1 ILE 49 -8.324 27.192 14.910 421 3HD1 ILE 49 3HD1 ILE 49 -7.939 26.106 16.247 422 H TYR 50 H TYR 50 -4.815 26.969 19.707 423 HA TYR 50 HA TYR 50 -2.001 27.511 19.827 424 1HB TYR 50 1HB TYR 50 -3.918 26.948 22.138 425 2HB TYR 50 2HB TYR 50 -2.421 27.808 22.231 426 HD1 TYR 50 HD1 TYR 50 -5.135 29.123 23.127 427 HD2 TYR 50 HD2 TYR 50 -3.207 29.262 19.215 428 HE1 TYR 50 HE1 TYR 50 -6.262 31.190 22.582 429 HE2 TYR 50 HE2 TYR 50 -4.354 31.280 18.735 430 HH TYR 50 HH TYR 50 -6.537 32.881 21.037 431 H GLU 51 H GLU 51 -3.907 24.778 21.076 432 HA GLU 51 HA GLU 51 -1.649 23.473 22.219 433 1HB GLU 51 1HB GLU 51 -3.946 22.780 22.721 434 2HB GLU 51 2HB GLU 51 -4.116 22.094 21.090 435 1HG GLU 51 1HG GLU 51 -2.312 20.490 21.564 436 2HG GLU 51 2HG GLU 51 -2.009 21.258 23.132 437 H PHE 52 H PHE 52 -3.004 23.263 18.950 438 HA PHE 52 HA PHE 52 -1.232 21.339 17.815 439 1HB PHE 52 1HB PHE 52 -3.105 22.128 16.506 440 2HB PHE 52 2HB PHE 52 -2.649 23.775 16.608 441 HD1 PHE 52 HD1 PHE 52 -0.368 24.647 15.000 442 HD2 PHE 52 HD2 PHE 52 -2.074 20.623 14.840 443 HE1 PHE 52 HE1 PHE 52 0.753 24.156 12.948 444 HE2 PHE 52 HE2 PHE 52 -0.929 20.250 12.814 445 HZ PHE 52 HZ PHE 52 0.514 22.027 11.803 446 H HIS 53 H HIS 53 -1.091 24.846 17.541 447 HA HIS 53 HA HIS 53 1.366 24.915 16.423 448 1HB HIS 53 1HB HIS 53 -0.501 26.672 16.659 449 2HB HIS 53 2HB HIS 53 0.228 27.144 18.203 450 HD1 HIS 53 HD1 HIS 53 2.358 26.074 15.341 451 HD2 HIS 53 HD2 HIS 53 0.863 29.707 16.803 452 HE1 HIS 53 HE1 HIS 53 3.477 27.786 14.107 453 H LYS 54 H LYS 54 0.510 24.940 19.705 454 HA LYS 54 HA LYS 54 3.132 25.456 20.817 455 1HB LYS 54 1HB LYS 54 0.639 24.145 21.921 456 2HB LYS 54 2HB LYS 54 2.154 24.072 22.811 457 1HG LYS 54 1HG LYS 54 2.362 26.458 22.929 458 2HG LYS 54 2HG LYS 54 0.933 26.702 21.905 459 1HD LYS 54 1HD LYS 54 -0.520 25.700 23.614 460 2HD LYS 54 2HD LYS 54 0.885 25.196 24.561 461 1HE LYS 54 1HE LYS 54 -0.114 27.143 25.604 462 2HE LYS 54 2HE LYS 54 1.502 27.542 24.999 463 1HZ LYS 54 1HZ LYS 54 -0.086 29.248 24.499 464 2HZ LYS 54 2HZ LYS 54 0.449 28.568 23.098 465 3HZ LYS 54 3HZ LYS 54 -1.046 28.192 23.682 466 H THR 55 H THR 55 1.440 22.516 19.830 467 HA THR 55 HA THR 55 3.608 20.754 20.713 468 HB THR 55 HB THR 55 1.350 20.250 18.721 469 HG1 THR 55 HG1 THR 55 0.575 20.766 20.789 470 1HG2 THR 55 1HG2 THR 55 2.913 18.575 18.379 471 2HG2 THR 55 2HG2 THR 55 3.228 18.358 20.119 472 3HG2 THR 55 3HG2 THR 55 1.665 17.873 19.399 473 H LEU 56 H LEU 56 2.855 22.317 17.662 474 HA LEU 56 HA LEU 56 4.977 21.068 16.282 475 1HB LEU 56 1HB LEU 56 3.102 22.684 15.339 476 2HB LEU 56 2HB LEU 56 4.106 23.991 15.886 477 HG LEU 56 HG LEU 56 4.148 23.706 13.585 478 1HD1 LEU 56 1HD1 LEU 56 6.878 23.211 14.730 479 2HD1 LEU 56 2HD1 LEU 56 6.471 24.008 13.221 480 3HD1 LEU 56 3HD1 LEU 56 6.029 24.774 14.768 481 1HD2 LEU 56 1HD2 LEU 56 5.736 21.122 14.105 482 2HD2 LEU 56 2HD2 LEU 56 4.257 21.210 13.152 483 3HD2 LEU 56 3HD2 LEU 56 5.739 21.936 12.551 484 H LYS 57 H LYS 57 4.903 24.108 18.120 485 HA LYS 57 HA LYS 57 7.694 24.567 17.715 486 1HB LYS 57 1HB LYS 57 5.667 25.524 19.818 487 2HB LYS 57 2HB LYS 57 7.289 26.222 19.664 488 1HG LYS 57 1HG LYS 57 6.797 27.002 17.401 489 2HG LYS 57 2HG LYS 57 5.245 26.209 17.376 490 1HD LYS 57 1HD LYS 57 4.339 27.733 18.992 491 2HD LYS 57 2HD LYS 57 5.940 28.432 19.338 492 1HE LYS 57 1HE LYS 57 6.120 29.408 17.140 493 2HE LYS 57 2HE LYS 57 4.753 28.470 16.541 494 1HZ LYS 57 1HZ LYS 57 3.328 29.749 18.010 495 2HZ LYS 57 2HZ LYS 57 4.610 30.683 18.462 496 3HZ LYS 57 3HZ LYS 57 4.076 30.692 16.904 497 H GLU 58 H GLU 58 6.065 22.545 19.974 498 HA GLU 58 HA GLU 58 8.301 22.439 21.793 499 1HB GLU 58 1HB GLU 58 5.726 20.741 21.504 500 2HB GLU 58 2HB GLU 58 6.917 20.307 22.655 501 1HG GLU 58 1HG GLU 58 6.031 23.292 22.693 502 2HG GLU 58 2HG GLU 58 4.963 22.126 23.421 503 H MET 59 H MET 59 6.796 20.116 19.432 504 HA MET 59 HA MET 59 8.924 18.264 19.661 505 1HB MET 59 1HB MET 59 7.140 18.783 17.308 506 2HB MET 59 2HB MET 59 8.006 17.308 17.605 507 1HG MET 59 1HG MET 59 6.522 16.747 19.488 508 2HG MET 59 2HG MET 59 5.650 18.257 19.301 509 1HE MET 59 1HE MET 59 4.415 18.942 16.942 510 2HE MET 59 2HE MET 59 5.560 18.192 15.853 511 3HE MET 59 3HE MET 59 3.873 17.708 15.787 512 H PHE 60 H PHE 60 8.251 20.818 17.188 513 HA PHE 60 HA PHE 60 10.917 20.453 16.069 514 1HB PHE 60 1HB PHE 60 8.602 22.107 15.168 515 2HB PHE 60 2HB PHE 60 10.156 21.961 14.477 516 HD1 PHE 60 HD1 PHE 60 6.995 19.699 15.240 517 HD2 PHE 60 HD2 PHE 60 10.664 20.010 12.891 518 HE1 PHE 60 HE1 PHE 60 6.408 17.776 13.924 519 HE2 PHE 60 HE2 PHE 60 10.000 18.091 11.642 520 HZ PHE 60 HZ PHE 60 7.857 16.939 12.134 521 HA PRO 61 HA PRO 61 11.194 24.556 18.466 522 1HB PRO 61 1HB PRO 61 13.713 24.565 19.423 523 2HB PRO 61 2HB PRO 61 12.419 23.600 20.202 524 1HG PRO 61 1HG PRO 61 14.537 22.649 18.278 525 2HG PRO 61 2HG PRO 61 14.024 21.889 19.810 526 1HD PRO 61 1HD PRO 61 13.168 21.193 17.324 527 2HD PRO 61 2HD PRO 61 12.143 20.939 18.800 528 H ILE 62 H ILE 62 12.978 23.034 15.959 529 HA ILE 62 HA ILE 62 14.536 25.202 14.981 530 HB ILE 62 HB ILE 62 13.364 22.844 13.534 531 1HG1 ILE 62 1HG1 ILE 62 14.662 21.905 15.368 532 2HG1 ILE 62 2HG1 ILE 62 15.540 21.671 13.862 533 1HG2 ILE 62 1HG2 ILE 62 15.058 23.011 11.919 534 2HG2 ILE 62 2HG2 ILE 62 14.048 24.454 11.991 535 3HG2 ILE 62 3HG2 ILE 62 15.676 24.480 12.729 536 1HD1 ILE 62 1HD1 ILE 62 17.061 22.356 15.639 537 2HD1 ILE 62 2HD1 ILE 62 16.990 23.637 14.417 538 3HD1 ILE 62 3HD1 ILE 62 16.115 23.816 15.958 539 H GLU 63 H GLU 63 11.301 23.837 14.266 540 HA GLU 63 HA GLU 63 10.632 25.688 12.184 541 1HB GLU 63 1HB GLU 63 8.878 24.254 14.178 542 2HB GLU 63 2HB GLU 63 8.286 25.128 12.761 543 1HG GLU 63 1HG GLU 63 10.252 22.857 12.353 544 2HG GLU 63 2HG GLU 63 8.552 22.505 12.701 545 H ALA 64 H ALA 64 11.270 26.220 15.511 546 HA ALA 64 HA ALA 64 9.957 28.813 15.398 547 1HB ALA 64 1HB ALA 64 8.758 27.015 16.796 548 2HB ALA 64 2HB ALA 64 10.144 27.050 17.890 549 3HB ALA 64 3HB ALA 64 9.147 28.517 17.684 550 H GLY 65 H GLY 65 12.620 28.011 14.732 551 1HA GLY 65 1HA GLY 65 14.015 29.889 16.440 552 2HA GLY 65 2HA GLY 65 14.605 28.190 16.497 553 H ALA 66 H ALA 66 14.549 27.298 13.972 554 HA ALA 66 HA ALA 66 16.475 29.084 12.716 555 1HB ALA 66 1HB ALA 66 16.992 27.258 11.223 556 2HB ALA 66 2HB ALA 66 16.870 26.570 12.857 557 3HB ALA 66 3HB ALA 66 15.517 26.403 11.696 558 H ILE 67 H ILE 67 13.216 28.286 12.602 559 HA ILE 67 HA ILE 67 12.848 29.721 9.977 560 HB ILE 67 HB ILE 67 10.888 27.851 11.344 561 1HG1 ILE 67 1HG1 ILE 67 13.223 27.271 9.427 562 2HG1 ILE 67 2HG1 ILE 67 12.896 26.497 10.983 563 1HG2 ILE 67 1HG2 ILE 67 9.927 29.266 9.559 564 2HG2 ILE 67 2HG2 ILE 67 11.216 28.765 8.450 565 3HG2 ILE 67 3HG2 ILE 67 9.989 27.608 9.028 566 1HD1 ILE 67 1HD1 ILE 67 10.856 25.459 9.941 567 2HD1 ILE 67 2HD1 ILE 67 11.501 26.024 8.370 568 3HD1 ILE 67 3HD1 ILE 67 12.432 24.892 9.359 569 H ASN 68 H ASN 68 13.011 30.483 13.021 570 HA ASN 68 HA ASN 68 10.543 32.110 12.996 571 1HB ASN 68 1HB ASN 68 12.058 30.996 15.123 572 2HB ASN 68 2HB ASN 68 12.105 32.747 15.311 573 1HD2 ASN 68 1HD2 ASN 68 9.576 30.528 13.983 574 2HD2 ASN 68 2HD2 ASN 68 8.299 31.082 15.042 575 HA PRO 69 HA PRO 69 13.127 35.846 12.784 576 1HB PRO 69 1HB PRO 69 15.820 35.859 12.175 577 2HB PRO 69 2HB PRO 69 15.226 35.587 13.841 578 1HG PRO 69 1HG PRO 69 16.111 33.520 11.826 579 2HG PRO 69 2HG PRO 69 16.486 33.598 13.565 580 1HD PRO 69 1HD PRO 69 14.465 32.041 12.464 581 2HD PRO 69 2HD PRO 69 14.388 32.681 14.143 582 H GLU 70 H GLU 70 14.492 33.612 10.499 583 HA GLU 70 HA GLU 70 14.355 35.518 8.356 584 1HB GLU 70 1HB GLU 70 14.899 33.411 6.890 585 2HB GLU 70 2HB GLU 70 15.826 33.268 8.332 586 1HG GLU 70 1HG GLU 70 14.845 31.155 8.562 587 2HG GLU 70 2HG GLU 70 13.423 31.912 9.149 588 H ASN 71 H ASN 71 12.142 33.173 9.605 589 HA ASN 71 HA ASN 71 10.082 34.212 7.712 590 1HB ASN 71 1HB ASN 71 10.832 31.468 8.102 591 2HB ASN 71 2HB ASN 71 9.473 31.641 9.158 592 1HD2 ASN 71 1HD2 ASN 71 7.573 31.291 8.371 593 2HD2 ASN 71 2HD2 ASN 71 7.136 31.370 6.663 594 H ARG 72 H ARG 72 10.798 35.747 9.794 595 HA ARG 72 HA ARG 72 9.029 35.368 12.061 596 1HB ARG 72 1HB ARG 72 11.169 36.773 12.029 597 2HB ARG 72 2HB ARG 72 10.206 38.051 11.287 598 1HG ARG 72 1HG ARG 72 8.634 37.909 13.265 599 2HG ARG 72 2HG ARG 72 9.645 36.616 13.935 600 1HD ARG 72 1HD ARG 72 11.549 38.160 14.089 601 2HD ARG 72 2HD ARG 72 10.567 39.459 13.366 602 HE ARG 72 HE ARG 72 9.147 38.452 15.586 603 1HH1 ARG 72 1HH1 ARG 72 12.145 40.216 14.955 604 2HH1 ARG 72 2HH1 ARG 72 12.149 41.049 16.486 605 1HH2 ARG 72 1HH2 ARG 72 9.132 39.540 17.601 606 2HH2 ARG 72 2HH2 ARG 72 10.399 40.662 18.013 607 H ILE 73 H ILE 73 7.312 34.855 10.308 608 HA ILE 73 HA ILE 73 5.293 36.986 10.381 609 HB ILE 73 HB ILE 73 4.444 36.108 8.187 610 1HG1 ILE 73 1HG1 ILE 73 6.153 34.095 8.244 611 2HG1 ILE 73 2HG1 ILE 73 5.598 34.817 6.735 612 1HG2 ILE 73 1HG2 ILE 73 7.031 37.697 8.170 613 2HG2 ILE 73 2HG2 ILE 73 5.848 37.607 6.845 614 3HG2 ILE 73 3HG2 ILE 73 5.388 38.314 8.401 615 1HD1 ILE 73 1HD1 ILE 73 8.041 34.357 6.777 616 2HD1 ILE 73 2HD1 ILE 73 7.668 36.032 6.419 617 3HD1 ILE 73 3HD1 ILE 73 8.241 35.595 8.028 618 H ILE 74 H ILE 74 6.303 33.862 11.270 619 HA ILE 74 HA ILE 74 3.870 32.400 11.142 620 HB ILE 74 HB ILE 74 6.181 32.220 13.105 621 1HG1 ILE 74 1HG1 ILE 74 5.857 30.305 10.796 622 2HG1 ILE 74 2HG1 ILE 74 6.604 31.866 10.472 623 1HG2 ILE 74 1HG2 ILE 74 5.394 29.876 13.427 624 2HG2 ILE 74 2HG2 ILE 74 4.138 31.031 13.876 625 3HG2 ILE 74 3HG2 ILE 74 4.045 30.179 12.320 626 1HD1 ILE 74 1HD1 ILE 74 8.275 30.140 11.046 627 2HD1 ILE 74 2HD1 ILE 74 8.301 31.512 12.168 628 3HD1 ILE 74 3HD1 ILE 74 7.568 29.972 12.660 629 HA PRO 75 HA PRO 75 1.894 34.931 14.110 630 1HB PRO 75 1HB PRO 75 -0.170 33.370 15.138 631 2HB PRO 75 2HB PRO 75 -0.158 34.162 13.537 632 1HG PRO 75 1HG PRO 75 0.671 31.321 14.183 633 2HG PRO 75 2HG PRO 75 -0.455 31.905 12.920 634 1HD PRO 75 1HD PRO 75 2.125 31.358 12.318 635 2HD PRO 75 2HD PRO 75 1.332 32.805 11.625 636 H HIS 76 H HIS 76 1.997 35.351 16.451 637 HA HIS 76 HA HIS 76 2.532 33.226 18.380 638 1HB HIS 76 1HB HIS 76 4.616 34.321 19.183 639 2HB HIS 76 2HB HIS 76 4.778 33.630 17.571 640 HD1 HIS 76 HD1 HIS 76 4.196 37.032 19.208 641 HD2 HIS 76 HD2 HIS 76 5.685 35.382 15.664 642 HE1 HIS 76 HE1 HIS 76 5.193 38.948 17.845 643 H LEU 77 H LEU 77 0.301 34.758 17.946 644 HA LEU 77 HA LEU 77 0.296 37.071 19.746 645 1HB LEU 77 1HB LEU 77 -1.629 35.781 17.807 646 2HB LEU 77 2HB LEU 77 -2.212 36.956 18.984 647 HG LEU 77 HG LEU 77 -0.643 38.657 18.134 648 1HD1 LEU 77 1HD1 LEU 77 0.084 36.544 16.054 649 2HD1 LEU 77 2HD1 LEU 77 0.425 38.275 15.877 650 3HD1 LEU 77 3HD1 LEU 77 1.189 37.374 17.184 651 1HD2 LEU 77 1HD2 LEU 77 -2.336 37.435 15.917 652 2HD2 LEU 77 2HD2 LEU 77 -2.966 38.446 17.241 653 3HD2 LEU 77 3HD2 LEU 77 -1.830 39.127 16.065 654 HA PRO 78 HA PRO 78 -1.238 34.806 23.233 655 1HB PRO 78 1HB PRO 78 -2.598 36.689 24.662 656 2HB PRO 78 2HB PRO 78 -0.847 36.820 24.344 657 1HG PRO 78 1HG PRO 78 -3.098 38.100 22.767 658 2HG PRO 78 2HG PRO 78 -1.675 38.913 23.481 659 1HD PRO 78 1HD PRO 78 -1.706 38.130 20.882 660 2HD PRO 78 2HD PRO 78 -0.220 37.973 21.864 661 H ALA 79 H ALA 79 -3.384 34.549 24.591 662 HA ALA 79 HA ALA 79 -5.456 33.596 22.752 663 1HB ALA 79 1HB ALA 79 -5.007 33.252 25.749 664 2HB ALA 79 2HB ALA 79 -6.264 32.426 24.815 665 3HB ALA 79 3HB ALA 79 -4.553 32.096 24.479 666 HA PRO 80 HA PRO 80 -8.282 36.909 23.841 667 1HB PRO 80 1HB PRO 80 -10.721 35.797 23.449 668 2HB PRO 80 2HB PRO 80 -9.582 35.997 22.080 669 1HG PRO 80 1HG PRO 80 -9.967 33.499 23.777 670 2HG PRO 80 2HG PRO 80 -10.080 33.621 22.000 671 1HD PRO 80 1HD PRO 80 -7.768 32.883 23.154 672 2HD PRO 80 2HD PRO 80 -7.766 34.054 21.795 673 H LYS 81 H LYS 81 -9.991 37.392 25.438 674 HA LYS 81 HA LYS 81 -11.111 37.272 27.494 675 1HB LYS 81 1HB LYS 81 -11.284 34.734 26.929 676 2HB LYS 81 2HB LYS 81 -9.922 34.535 28.054 677 1HG LYS 81 1HG LYS 81 -11.274 35.638 29.831 678 2HG LYS 81 2HG LYS 81 -12.641 35.701 28.716 679 1HD LYS 81 1HD LYS 81 -11.174 33.128 29.463 680 2HD LYS 81 2HD LYS 81 -12.552 33.765 30.373 681 1HE LYS 81 1HE LYS 81 -13.943 33.701 28.276 682 2HE LYS 81 2HE LYS 81 -12.591 32.924 27.430 683 1HZ LYS 81 1HZ LYS 81 -13.990 31.841 29.772 684 2HZ LYS 81 2HZ LYS 81 -14.189 31.336 28.218 685 3HZ LYS 81 3HZ LYS 81 -12.744 31.115 28.978 686 H TRP 82 H TRP 82 -8.508 38.311 26.899 687 HA TRP 82 HA TRP 82 -7.377 38.491 29.651 688 1HB TRP 82 1HB TRP 82 -5.982 38.455 26.955 689 2HB TRP 82 2HB TRP 82 -5.230 39.043 28.441 690 HD1 TRP 82 HD1 TRP 82 -7.087 35.805 27.421 691 HE1 TRP 82 HE1 TRP 82 -5.916 33.775 28.404 692 HE3 TRP 82 HE3 TRP 82 -3.312 38.221 29.885 693 HZ2 TRP 82 HZ2 TRP 82 -3.601 33.252 30.044 694 HZ3 TRP 82 HZ3 TRP 82 -1.632 36.917 31.147 695 HH2 TRP 82 HH2 TRP 82 -1.762 34.439 31.232 696 H PHE 83 H PHE 83 -9.331 39.907 27.455 697 HA PHE 83 HA PHE 83 -9.361 42.431 28.667 698 1HB PHE 83 1HB PHE 83 -7.304 42.491 26.964 699 2HB PHE 83 2HB PHE 83 -8.548 42.670 25.760 700 HD1 PHE 83 HD1 PHE 83 -6.687 44.181 28.519 701 HD2 PHE 83 HD2 PHE 83 -10.034 44.793 25.859 702 HE1 PHE 83 HE1 PHE 83 -6.706 46.594 29.079 703 HE2 PHE 83 HE2 PHE 83 -10.042 47.194 26.426 704 HZ PHE 83 HZ PHE 83 -8.381 48.105 28.034 705 H ASP 84 H ASP 84 -11.116 40.415 28.475 706 HA ASP 84 HA ASP 84 -12.817 39.690 26.718 707 1HB ASP 84 1HB ASP 84 -13.410 40.892 29.517 708 2HB ASP 84 2HB ASP 84 -14.587 39.936 28.654 709 H GLY 85 H GLY 85 -13.089 41.180 24.903 710 1HA GLY 85 1HA GLY 85 -15.455 42.602 24.779 711 2HA GLY 85 2HA GLY 85 -14.153 43.777 25.102 712 H GLN 86 H GLN 86 -14.117 44.667 22.880 713 HA GLN 86 HA GLN 86 -14.143 43.061 20.552 714 1HB GLN 86 1HB GLN 86 -13.002 45.850 21.030 715 2HB GLN 86 2HB GLN 86 -13.250 45.116 19.435 716 1HG GLN 86 1HG GLN 86 -15.674 44.899 19.889 717 2HG GLN 86 2HG GLN 86 -15.465 45.707 21.452 718 1HE2 GLN 86 1HE2 GLN 86 -14.277 47.928 21.310 719 2HE2 GLN 86 2HE2 GLN 86 -14.759 48.946 19.966 720 H ARG 87 H ARG 87 -11.640 43.586 22.817 721 HA ARG 87 HA ARG 87 -9.490 42.848 20.946 722 1HB ARG 87 1HB ARG 87 -9.712 43.554 23.963 723 2HB ARG 87 2HB ARG 87 -8.172 43.041 23.318 724 1HG ARG 87 1HG ARG 87 -9.745 45.442 22.280 725 2HG ARG 87 2HG ARG 87 -8.471 45.523 23.499 726 1HD ARG 87 1HD ARG 87 -6.861 45.537 21.955 727 2HD ARG 87 2HD ARG 87 -7.431 44.028 21.268 728 HE ARG 87 HE ARG 87 -8.568 46.728 20.581 729 1HH1 ARG 87 1HH1 ARG 87 -7.286 43.583 19.366 730 2HH1 ARG 87 2HH1 ARG 87 -7.665 44.034 17.711 731 1HH2 ARG 87 1HH2 ARG 87 -9.016 47.155 18.350 732 2HH2 ARG 87 2HH2 ARG 87 -8.602 45.925 17.167 733 H ALA 88 H ALA 88 -11.815 41.199 22.634 734 HA ALA 88 HA ALA 88 -10.153 38.763 22.969 735 1HB ALA 88 1HB ALA 88 -11.992 37.878 24.302 736 2HB ALA 88 2HB ALA 88 -11.466 39.450 24.937 737 3HB ALA 88 3HB ALA 88 -12.965 39.322 23.978 738 H ALA 89 H ALA 89 -12.340 40.369 20.931 739 HA ALA 89 HA ALA 89 -13.298 37.967 19.525 740 1HB ALA 89 1HB ALA 89 -14.572 39.599 18.192 741 2HB ALA 89 2HB ALA 89 -14.892 39.780 19.929 742 3HB ALA 89 3HB ALA 89 -13.831 40.936 19.098 743 H GLU 90 H GLU 90 -11.689 41.020 18.715 744 HA GLU 90 HA GLU 90 -10.619 40.147 16.204 745 1HB GLU 90 1HB GLU 90 -11.129 42.522 17.057 746 2HB GLU 90 2HB GLU 90 -9.603 42.423 17.945 747 1HG GLU 90 1HG GLU 90 -8.416 42.109 15.745 748 2HG GLU 90 2HG GLU 90 -9.980 42.214 14.918 749 H ASN 91 H ASN 91 -9.578 39.230 19.289 750 HA ASN 91 HA ASN 91 -6.736 38.989 18.517 751 1HB ASN 91 1HB ASN 91 -7.373 39.193 20.990 752 2HB ASN 91 2HB ASN 91 -8.360 37.751 20.909 753 1HD2 ASN 91 1HD2 ASN 91 -7.162 35.663 20.338 754 2HD2 ASN 91 2HD2 ASN 91 -5.480 35.559 20.836 755 H ARG 92 H ARG 92 -9.360 36.601 19.332 756 HA ARG 92 HA ARG 92 -7.977 34.572 17.903 757 1HB ARG 92 1HB ARG 92 -9.788 33.154 18.397 758 2HB ARG 92 2HB ARG 92 -9.751 34.300 19.738 759 1HG ARG 92 1HG ARG 92 -11.543 35.638 18.422 760 2HG ARG 92 2HG ARG 92 -11.660 34.226 17.362 761 1HD ARG 92 1HD ARG 92 -13.364 33.884 18.902 762 2HD ARG 92 2HD ARG 92 -12.054 32.873 19.547 763 HE ARG 92 HE ARG 92 -11.947 35.555 20.630 764 1HH1 ARG 92 1HH1 ARG 92 -13.856 32.565 20.913 765 2HH1 ARG 92 2HH1 ARG 92 -14.480 32.981 22.483 766 1HH2 ARG 92 1HH2 ARG 92 -12.778 36.108 22.589 767 2HH2 ARG 92 2HH2 ARG 92 -13.857 35.053 23.479 768 H GLN 93 H GLN 93 -10.258 36.974 16.845 769 HA GLN 93 HA GLN 93 -10.628 35.654 14.230 770 1HB GLN 93 1HB GLN 93 -11.519 38.385 15.152 771 2HB GLN 93 2HB GLN 93 -11.952 37.628 13.621 772 1HG GLN 93 1HG GLN 93 -12.655 36.347 16.299 773 2HG GLN 93 2HG GLN 93 -13.680 37.521 15.479 774 1HE2 GLN 93 1HE2 GLN 93 -12.059 34.332 14.967 775 2HE2 GLN 93 2HE2 GLN 93 -13.286 33.737 13.866 776 H GLY 94 H GLY 94 -8.015 37.253 15.480 777 1HA GLY 94 1HA GLY 94 -7.147 38.277 12.777 778 2HA GLY 94 2HA GLY 94 -6.526 38.826 14.336 779 H THR 95 H THR 95 -6.196 36.531 15.740 780 HA THR 95 HA THR 95 -3.761 35.458 14.766 781 HB THR 95 HB THR 95 -5.741 34.506 16.934 782 HG1 THR 95 HG1 THR 95 -3.463 36.166 17.055 783 1HG2 THR 95 1HG2 THR 95 -3.760 33.413 18.044 784 2HG2 THR 95 2HG2 THR 95 -4.219 32.623 16.534 785 3HG2 THR 95 3HG2 THR 95 -2.804 33.692 16.582 786 H LEU 96 H LEU 96 -7.064 34.073 14.796 787 HA LEU 96 HA LEU 96 -5.986 31.703 13.576 788 1HB LEU 96 1HB LEU 96 -8.212 31.686 14.700 789 2HB LEU 96 2HB LEU 96 -8.846 32.710 13.404 790 HG LEU 96 HG LEU 96 -8.069 30.784 11.711 791 1HD1 LEU 96 1HD1 LEU 96 -6.675 29.496 13.299 792 2HD1 LEU 96 2HD1 LEU 96 -8.049 29.425 14.448 793 3HD1 LEU 96 3HD1 LEU 96 -8.128 28.544 12.917 794 1HD2 LEU 96 1HD2 LEU 96 -10.292 31.286 12.237 795 2HD2 LEU 96 2HD2 LEU 96 -10.065 29.487 12.316 796 3HD2 LEU 96 3HD2 LEU 96 -10.080 30.439 13.782 797 H THR 97 H THR 97 -7.677 34.549 12.425 798 HA THR 97 HA THR 97 -7.829 34.087 9.659 799 HB THR 97 HB THR 97 -7.532 36.586 11.344 800 HG1 THR 97 HG1 THR 97 -9.606 36.703 10.950 801 1HG2 THR 97 1HG2 THR 97 -6.287 37.312 9.504 802 2HG2 THR 97 2HG2 THR 97 -7.517 36.705 8.356 803 3HG2 THR 97 3HG2 THR 97 -7.891 38.045 9.478 804 H GLU 98 H GLU 98 -5.038 35.093 11.535 805 HA GLU 98 HA GLU 98 -3.427 35.281 9.065 806 1HB GLU 98 1HB GLU 98 -3.208 36.940 11.038 807 2HB GLU 98 2HB GLU 98 -2.607 35.586 12.008 808 1HG GLU 98 1HG GLU 98 -0.743 35.327 10.333 809 2HG GLU 98 2HG GLU 98 -1.357 36.778 9.513 810 H TYR 99 H TYR 99 -3.737 33.131 11.875 811 HA TYR 99 HA TYR 99 -1.538 31.690 10.927 812 1HB TYR 99 1HB TYR 99 -2.872 31.122 13.211 813 2HB TYR 99 2HB TYR 99 -3.751 30.025 12.202 814 HD1 TYR 99 HD1 TYR 99 -0.184 30.132 10.981 815 HD2 TYR 99 HD2 TYR 99 -2.770 28.411 13.996 816 HE1 TYR 99 HE1 TYR 99 1.484 28.397 11.458 817 HE2 TYR 99 HE2 TYR 99 -1.019 26.666 14.427 818 HH TYR 99 HH TYR 99 0.975 25.885 13.818 819 H CYS 100 H CYS 100 -4.944 31.522 9.966 820 HA CYS 100 HA CYS 100 -4.697 29.078 8.514 821 1HB CYS 100 1HB CYS 100 -6.919 30.180 9.050 822 2HB CYS 100 2HB CYS 100 -6.542 31.440 7.851 823 HG CYS 100 HG CYS 100 -8.239 29.768 6.836 824 H SER 101 H SER 101 -4.342 32.481 7.512 825 HA SER 101 HA SER 101 -3.595 31.891 4.839 826 1HB SER 101 1HB SER 101 -2.715 34.272 6.564 827 2HB SER 101 2HB SER 101 -2.846 34.227 4.796 828 HG SER 101 HG SER 101 -4.924 34.197 6.725 829 H THR 102 H THR 102 -1.722 32.002 7.783 830 HA THR 102 HA THR 102 0.838 31.791 6.411 831 HB THR 102 HB THR 102 0.117 31.848 9.385 832 HG1 THR 102 HG1 THR 102 -0.498 33.735 8.427 833 1HG2 THR 102 1HG2 THR 102 2.771 32.177 7.982 834 2HG2 THR 102 2HG2 THR 102 2.409 32.787 9.600 835 3HG2 THR 102 3HG2 THR 102 2.308 31.042 9.299 836 H LEU 103 H LEU 103 -1.167 29.572 8.169 837 HA LEU 103 HA LEU 103 0.736 27.418 8.218 838 1HB LEU 103 1HB LEU 103 -2.040 27.823 8.868 839 2HB LEU 103 2HB LEU 103 -2.094 26.486 7.998 840 HG LEU 103 HG LEU 103 -0.471 26.628 10.550 841 1HD1 LEU 103 1HD1 LEU 103 -3.131 25.354 10.645 842 2HD1 LEU 103 2HD1 LEU 103 -2.190 26.294 11.813 843 3HD1 LEU 103 3HD1 LEU 103 -3.109 27.114 10.601 844 1HD2 LEU 103 1HD2 LEU 103 -0.176 24.436 9.102 845 2HD2 LEU 103 2HD2 LEU 103 -0.717 24.266 10.779 846 3HD2 LEU 103 3HD2 LEU 103 -1.879 24.152 9.491 847 H MET 104 H MET 104 -1.482 28.774 5.817 848 HA MET 104 HA MET 104 -1.001 26.748 3.913 849 1HB MET 104 1HB MET 104 -2.338 29.496 4.095 850 2HB MET 104 2HB MET 104 -2.094 28.849 2.494 851 1HG MET 104 1HG MET 104 -3.398 26.977 4.389 852 2HG MET 104 2HG MET 104 -4.318 28.435 3.999 853 1HE MET 104 1HE MET 104 -2.408 25.389 2.530 854 2HE MET 104 2HE MET 104 -2.771 25.518 0.786 855 3HE MET 104 3HE MET 104 -1.744 26.736 1.563 856 H SER 105 H SER 105 0.562 29.620 4.793 857 HA SER 105 HA SER 105 1.881 30.005 2.204 858 1HB SER 105 1HB SER 105 1.074 32.058 3.873 859 2HB SER 105 2HB SER 105 2.477 31.548 4.797 860 HG SER 105 HG SER 105 2.520 32.310 2.074 861 H LEU 106 H LEU 106 2.873 29.058 5.566 862 HA LEU 106 HA LEU 106 5.264 29.286 5.466 863 1HB LEU 106 1HB LEU 106 3.906 26.723 6.343 864 2HB LEU 106 2HB LEU 106 5.529 27.246 6.759 865 HG LEU 106 HG LEU 106 3.014 28.253 7.916 866 1HD1 LEU 106 1HD1 LEU 106 5.757 27.659 8.998 867 2HD1 LEU 106 2HD1 LEU 106 4.285 28.075 9.905 868 3HD1 LEU 106 3HD1 LEU 106 4.349 26.562 8.956 869 1HD2 LEU 106 1HD2 LEU 106 4.287 30.191 8.870 870 2HD2 LEU 106 2HD2 LEU 106 5.609 29.865 7.750 871 3HD2 LEU 106 3HD2 LEU 106 4.026 30.396 7.133 872 HA PRO 107 HA PRO 107 7.320 27.215 2.279 873 1HB PRO 107 1HB PRO 107 9.924 27.568 2.834 874 2HB PRO 107 2HB PRO 107 8.851 28.940 2.387 875 1HG PRO 107 1HG PRO 107 9.742 28.074 5.162 876 2HG PRO 107 2HG PRO 107 9.673 29.737 4.520 877 1HD PRO 107 1HD PRO 107 7.732 28.485 6.071 878 2HD PRO 107 2HD PRO 107 7.416 29.896 5.010 879 H THR 108 H THR 108 7.324 26.275 5.440 880 HA THR 108 HA THR 108 8.860 23.769 5.131 881 HB THR 108 HB THR 108 7.687 23.513 7.447 882 HG1 THR 108 HG1 THR 108 6.819 25.342 8.337 883 1HG2 THR 108 1HG2 THR 108 9.962 24.175 7.438 884 2HG2 THR 108 2HG2 THR 108 9.511 25.870 7.047 885 3HG2 THR 108 3HG2 THR 108 9.056 25.159 8.618 886 H LYS 109 H LYS 109 6.927 24.203 3.154 887 HA LYS 109 HA LYS 109 4.514 22.957 4.165 888 1HB LYS 109 1HB LYS 109 5.036 24.507 1.840 889 2HB LYS 109 2HB LYS 109 5.176 22.918 1.129 890 1HG LYS 109 1HG LYS 109 2.976 23.714 0.770 891 2HG LYS 109 2HG LYS 109 2.842 22.398 1.946 892 1HD LYS 109 1HD LYS 109 2.569 23.978 3.785 893 2HD LYS 109 2HD LYS 109 2.942 25.360 2.746 894 1HE LYS 109 1HE LYS 109 0.579 23.487 2.274 895 2HE LYS 109 2HE LYS 109 0.474 24.932 3.291 896 1HZ LYS 109 1HZ LYS 109 -0.223 25.263 0.985 897 2HZ LYS 109 2HZ LYS 109 0.952 26.298 1.477 898 3HZ LYS 109 3HZ LYS 109 1.327 25.028 0.482 899 H ILE 110 H ILE 110 7.398 21.634 3.485 900 HA ILE 110 HA ILE 110 6.264 18.938 2.993 901 HB ILE 110 HB ILE 110 9.169 19.899 3.115 902 1HG1 ILE 110 1HG1 ILE 110 9.119 19.199 0.655 903 2HG1 ILE 110 2HG1 ILE 110 7.356 19.219 0.748 904 1HG2 ILE 110 1HG2 ILE 110 9.004 17.560 3.812 905 2HG2 ILE 110 2HG2 ILE 110 8.001 17.184 2.393 906 3HG2 ILE 110 3HG2 ILE 110 9.701 17.655 2.199 907 1HD1 ILE 110 1HD1 ILE 110 9.139 21.620 1.395 908 2HD1 ILE 110 2HD1 ILE 110 8.507 21.268 -0.224 909 3HD1 ILE 110 3HD1 ILE 110 7.386 21.640 1.080 910 H SER 111 H SER 111 7.890 20.894 5.440 911 HA SER 111 HA SER 111 8.164 18.680 7.279 912 1HB SER 111 1HB SER 111 8.558 21.604 7.911 913 2HB SER 111 2HB SER 111 9.228 20.208 8.746 914 HG SER 111 HG SER 111 10.390 19.728 6.825 915 H ARG 112 H ARG 112 6.128 21.517 6.960 916 HA ARG 112 HA ARG 112 4.552 20.994 9.335 917 1HB ARG 112 1HB ARG 112 5.169 23.264 8.147 918 2HB ARG 112 2HB ARG 112 3.839 22.870 7.051 919 1HG ARG 112 1HG ARG 112 3.112 24.366 8.773 920 2HG ARG 112 2HG ARG 112 2.294 22.821 9.038 921 1HD ARG 112 1HD ARG 112 3.426 22.414 11.008 922 2HD ARG 112 2HD ARG 112 4.930 23.125 10.437 923 HE ARG 112 HE ARG 112 2.550 24.593 11.479 924 1HH1 ARG 112 1HH1 ARG 112 6.132 24.653 10.857 925 2HH1 ARG 112 2HH1 ARG 112 6.237 26.300 11.361 926 1HH2 ARG 112 1HH2 ARG 112 2.846 26.677 12.214 927 2HH2 ARG 112 2HH2 ARG 112 4.413 27.445 12.143 928 H CYS 113 H CYS 113 4.451 19.834 6.107 929 HA CYS 113 HA CYS 113 1.763 19.613 5.605 930 1HB CYS 113 1HB CYS 113 4.068 18.551 4.408 931 2HB CYS 113 2HB CYS 113 3.107 17.124 4.788 932 HG CYS 113 HG CYS 113 0.880 17.933 3.804 933 HA PRO 114 HA PRO 114 1.164 15.465 7.906 934 1HB PRO 114 1HB PRO 114 3.056 14.677 9.800 935 2HB PRO 114 2HB PRO 114 3.073 14.129 8.099 936 1HG PRO 114 1HG PRO 114 4.601 16.464 9.298 937 2HG PRO 114 2HG PRO 114 5.247 15.143 8.275 938 1HD PRO 114 1HD PRO 114 4.631 17.481 7.147 939 2HD PRO 114 2HD PRO 114 4.103 15.969 6.358 940 H HIS 115 H HIS 115 2.645 18.156 9.581 941 HA HIS 115 HA HIS 115 1.012 17.629 11.861 942 1HB HIS 115 1HB HIS 115 3.138 19.090 11.720 943 2HB HIS 115 2HB HIS 115 2.024 20.398 11.347 944 HD1 HIS 115 HD1 HIS 115 1.396 17.533 13.872 945 HD2 HIS 115 HD2 HIS 115 2.180 21.649 13.856 946 HE1 HIS 115 HE1 HIS 115 1.137 18.375 16.264 947 H LEU 116 H LEU 116 0.584 19.996 9.079 948 HA LEU 116 HA LEU 116 -1.764 20.741 9.919 949 1HB LEU 116 1HB LEU 116 -0.529 21.583 7.794 950 2HB LEU 116 2HB LEU 116 -1.340 20.295 6.905 951 HG LEU 116 HG LEU 116 -2.321 22.870 7.933 952 1HD1 LEU 116 1HD1 LEU 116 -2.526 22.037 5.357 953 2HD1 LEU 116 2HD1 LEU 116 -3.695 20.860 5.976 954 3HD1 LEU 116 3HD1 LEU 116 -4.068 22.564 6.042 955 1HD2 LEU 116 1HD2 LEU 116 -4.367 20.809 8.171 956 2HD2 LEU 116 2HD2 LEU 116 -3.501 21.690 9.480 957 3HD2 LEU 116 3HD2 LEU 116 -4.460 22.574 8.345 958 H LEU 117 H LEU 117 -1.072 17.994 7.826 959 HA LEU 117 HA LEU 117 -3.726 16.915 7.466 960 1HB LEU 117 1HB LEU 117 -1.051 15.473 7.637 961 2HB LEU 117 2HB LEU 117 -2.598 14.712 7.353 962 HG LEU 117 HG LEU 117 -2.671 16.437 5.182 963 1HD1 LEU 117 1HD1 LEU 117 -0.631 17.536 5.343 964 2HD1 LEU 117 2HD1 LEU 117 0.261 16.007 5.684 965 3HD1 LEU 117 3HD1 LEU 117 -0.479 16.303 4.103 966 1HD2 LEU 117 1HD2 LEU 117 -2.957 14.003 5.340 967 2HD2 LEU 117 2HD2 LEU 117 -2.171 14.722 3.953 968 3HD2 LEU 117 3HD2 LEU 117 -1.167 13.895 5.173 969 H ASP 118 H ASP 118 -1.476 16.454 10.179 970 HA ASP 118 HA ASP 118 -3.403 14.919 11.692 971 1HB ASP 118 1HB ASP 118 -0.915 16.574 12.378 972 2HB ASP 118 2HB ASP 118 -1.819 15.803 13.641 973 H PHE 119 H PHE 119 -3.562 18.147 10.892 974 HA PHE 119 HA PHE 119 -4.762 19.233 13.384 975 1HB PHE 119 1HB PHE 119 -3.254 20.292 11.271 976 2HB PHE 119 2HB PHE 119 -4.878 20.605 10.658 977 HD1 PHE 119 HD1 PHE 119 -2.117 22.498 11.387 978 HD2 PHE 119 HD2 PHE 119 -6.008 21.715 13.092 979 HE1 PHE 119 HE1 PHE 119 -2.065 24.508 12.583 980 HE2 PHE 119 HE2 PHE 119 -5.938 23.891 14.297 981 HZ PHE 119 HZ PHE 119 -3.900 25.311 14.040 982 H PHE 120 H PHE 120 -5.419 18.224 10.185 983 HA PHE 120 HA PHE 120 -8.349 18.596 10.412 984 1HB PHE 120 1HB PHE 120 -6.326 17.626 8.247 985 2HB PHE 120 2HB PHE 120 -8.052 17.849 7.965 986 HD1 PHE 120 HD1 PHE 120 -6.300 19.064 6.143 987 HD2 PHE 120 HD2 PHE 120 -7.536 20.585 9.989 988 HE1 PHE 120 HE1 PHE 120 -6.088 21.398 5.315 989 HE2 PHE 120 HE2 PHE 120 -7.316 22.863 9.172 990 HZ PHE 120 HZ PHE 120 -6.610 23.285 6.846 991 H LYS 121 H LYS 121 -6.227 15.838 9.596 992 HA LYS 121 HA LYS 121 -8.391 14.019 9.485 993 1HB LYS 121 1HB LYS 121 -6.893 12.262 9.257 994 2HB LYS 121 2HB LYS 121 -6.104 13.665 8.521 995 1HG LYS 121 1HG LYS 121 -5.107 14.012 10.880 996 2HG LYS 121 2HG LYS 121 -5.542 12.336 11.200 997 1HD LYS 121 1HD LYS 121 -3.784 13.273 8.868 998 2HD LYS 121 2HD LYS 121 -3.169 12.747 10.438 999 1HE LYS 121 1HE LYS 121 -4.271 10.529 10.116 1000 2HE LYS 121 2HE LYS 121 -4.726 11.023 8.470 1001 1HZ LYS 121 1HZ LYS 121 -2.425 11.206 7.921 1002 2HZ LYS 121 2HZ LYS 121 -1.959 10.966 9.479 1003 3HZ LYS 121 3HZ LYS 121 -2.653 9.747 8.612 1004 H VAL 122 H VAL 122 -6.706 15.287 12.206 1005 HA VAL 122 HA VAL 122 -7.811 13.289 14.017 1006 HB VAL 122 HB VAL 122 -6.215 15.754 14.714 1007 1HG1 VAL 122 1HG1 VAL 122 -5.712 14.472 16.762 1008 2HG1 VAL 122 2HG1 VAL 122 -7.463 14.701 16.621 1009 3HG1 VAL 122 3HG1 VAL 122 -6.740 13.136 16.207 1010 1HG2 VAL 122 1HG2 VAL 122 -5.464 12.860 14.017 1011 2HG2 VAL 122 2HG2 VAL 122 -4.990 14.301 13.124 1012 3HG2 VAL 122 3HG2 VAL 122 -4.329 14.035 14.733 1013 H ARG 123 H ARG 123 -8.303 16.846 13.469 1014 HA ARG 123 HA ARG 123 -10.131 18.146 14.375 1015 1HB ARG 123 1HB ARG 123 -12.195 17.486 13.262 1016 2HB ARG 123 2HB ARG 123 -10.788 17.641 12.223 1017 1HG ARG 123 1HG ARG 123 -10.520 15.100 12.290 1018 2HG ARG 123 2HG ARG 123 -12.061 15.000 13.133 1019 1HD ARG 123 1HD ARG 123 -13.182 15.888 11.153 1020 2HD ARG 123 2HD ARG 123 -11.636 16.254 10.395 1021 HE ARG 123 HE ARG 123 -11.100 13.820 10.533 1022 1HH1 ARG 123 1HH1 ARG 123 -14.569 14.645 10.359 1023 2HH1 ARG 123 2HH1 ARG 123 -14.899 13.477 9.121 1024 1HH2 ARG 123 1HH2 ARG 123 -11.630 12.121 9.145 1025 2HH2 ARG 123 2HH2 ARG 123 -13.258 11.924 8.560 1026 HA PRO 124 HA PRO 124 -11.518 15.444 17.734 1027 1HB PRO 124 1HB PRO 124 -10.299 16.512 19.971 1028 2HB PRO 124 2HB PRO 124 -9.385 15.490 18.826 1029 1HG PRO 124 1HG PRO 124 -9.633 18.507 18.781 1030 2HG PRO 124 2HG PRO 124 -8.107 17.572 18.854 1031 1HD PRO 124 1HD PRO 124 -9.091 18.447 16.477 1032 2HD PRO 124 2HD PRO 124 -8.386 16.821 16.602 1033 H ASP 125 H ASP 125 -12.720 17.686 16.403 1034 HA ASP 125 HA ASP 125 -14.733 18.028 18.459 1035 1HB ASP 125 1HB ASP 125 -13.588 20.435 16.926 1036 2HB ASP 125 2HB ASP 125 -14.975 20.505 18.023 1037 H ASP 126 H ASP 126 -14.017 16.938 15.562 1038 HA ASP 126 HA ASP 126 -16.607 17.680 14.350 1039 1HB ASP 126 1HB ASP 126 -14.671 17.905 12.821 1040 2HB ASP 126 2HB ASP 126 -14.073 16.324 13.338 1041 H LEU 127 H LEU 127 -14.451 14.850 15.130 1042 HA LEU 127 HA LEU 127 -16.832 13.266 15.819 1043 1HB LEU 127 1HB LEU 127 -14.756 12.792 13.597 1044 2HB LEU 127 2HB LEU 127 -15.472 11.378 14.250 1045 HG LEU 127 HG LEU 127 -17.358 13.474 12.908 1046 1HD1 LEU 127 1HD1 LEU 127 -16.353 10.749 12.026 1047 2HD1 LEU 127 2HD1 LEU 127 -17.515 11.812 11.198 1048 3HD1 LEU 127 3HD1 LEU 127 -15.816 12.310 11.354 1049 1HD2 LEU 127 1HD2 LEU 127 -17.801 10.675 14.045 1050 2HD2 LEU 127 2HD2 LEU 127 -18.470 12.183 14.705 1051 3HD2 LEU 127 3HD2 LEU 127 -18.950 11.632 13.100 1052 H LYS 128 H LYS 128 -14.537 14.533 17.214 1053 HA LYS 128 HA LYS 128 -13.918 12.259 18.866 1054 1HB LYS 128 1HB LYS 128 -11.937 13.560 16.962 1055 2HB LYS 128 2HB LYS 128 -11.319 13.438 18.608 1056 1HG LYS 128 1HG LYS 128 -11.818 10.977 18.559 1057 2HG LYS 128 2HG LYS 128 -12.342 11.169 16.872 1058 1HD LYS 128 1HD LYS 128 -10.045 12.167 16.367 1059 2HD LYS 128 2HD LYS 128 -9.579 11.754 18.022 1060 1HE LYS 128 1HE LYS 128 -8.766 10.011 16.579 1061 2HE LYS 128 2HE LYS 128 -10.108 9.338 17.520 1062 1HZ LYS 128 1HZ LYS 128 -10.220 8.745 15.202 1063 2HZ LYS 128 2HZ LYS 128 -11.516 9.677 15.602 1064 3HZ LYS 128 3HZ LYS 128 -10.266 10.327 14.749 1065 H LEU 129 H LEU 129 -15.563 14.394 18.956 1066 HA LEU 129 HA LEU 129 -14.926 16.679 20.335 1067 1HB LEU 129 1HB LEU 129 -17.326 14.767 20.386 1068 2HB LEU 129 2HB LEU 129 -17.475 16.339 21.073 1069 HG LEU 129 HG LEU 129 -16.775 16.243 18.037 1070 1HD1 LEU 129 1HD1 LEU 129 -19.154 16.042 17.622 1071 2HD1 LEU 129 2HD1 LEU 129 -18.531 14.572 18.397 1072 3HD1 LEU 129 3HD1 LEU 129 -19.467 15.748 19.349 1073 1HD2 LEU 129 1HD2 LEU 129 -18.494 18.022 19.838 1074 2HD2 LEU 129 2HD2 LEU 129 -16.879 18.431 19.217 1075 3HD2 LEU 129 3HD2 LEU 129 -18.239 18.189 18.104 1076 HA PRO 130 HA PRO 130 -14.332 15.599 24.584 1077 1HB PRO 130 1HB PRO 130 -16.708 17.151 25.551 1078 2HB PRO 130 2HB PRO 130 -14.993 17.313 26.029 1079 1HG PRO 130 1HG PRO 130 -16.152 19.152 24.394 1080 2HG PRO 130 2HG PRO 130 -14.502 18.546 24.015 1081 1HD PRO 130 1HD PRO 130 -17.156 17.556 22.962 1082 2HD PRO 130 2HD PRO 130 -15.749 18.116 22.005 Start of MODEL 4 1 1H GLY 1 1H GLY 1 1.521 -0.204 -3.412 2 2H GLY 1 2H GLY 1 0.977 -0.781 -1.976 3 3H GLY 1 3H GLY 1 0.155 -1.140 -3.370 4 1HA GLY 1 1HA GLY 1 -0.393 1.181 -3.666 5 2HA GLY 1 2HA GLY 1 -1.010 0.534 -2.128 6 H SER 2 H SER 2 -0.772 3.223 -2.202 7 HA SER 2 HA SER 2 1.125 3.806 -0.130 8 1HB SER 2 1HB SER 2 2.614 3.900 -2.173 9 2HB SER 2 2HB SER 2 1.571 5.176 -2.825 10 HG SER 2 HG SER 2 3.456 5.901 -1.644 11 H MET 3 H MET 3 1.085 6.582 -0.454 12 HA MET 3 HA MET 3 -0.153 8.401 0.136 13 1HB MET 3 1HB MET 3 -1.998 7.197 -1.966 14 2HB MET 3 2HB MET 3 -2.348 8.716 -1.160 15 1HG MET 3 1HG MET 3 -1.414 9.169 -3.241 16 2HG MET 3 2HG MET 3 -0.343 9.759 -1.989 17 1HE MET 3 1HE MET 3 2.177 9.647 -2.479 18 2HE MET 3 2HE MET 3 1.914 8.354 -1.288 19 3HE MET 3 3HE MET 3 2.957 8.073 -2.700 20 H GLY 4 H GLY 4 -0.344 6.110 1.907 21 1HA GLY 4 1HA GLY 4 -3.131 6.026 2.886 22 2HA GLY 4 2HA GLY 4 -1.708 5.227 3.602 23 H ASP 5 H ASP 5 -2.710 8.469 2.787 24 HA ASP 5 HA ASP 5 -3.360 9.509 5.132 25 1HB ASP 5 1HB ASP 5 -0.819 9.199 5.904 26 2HB ASP 5 2HB ASP 5 -0.341 10.165 4.530 27 H THR 6 H THR 6 -1.495 9.907 2.203 28 HA THR 6 HA THR 6 -1.274 11.321 0.535 29 HB THR 6 HB THR 6 -3.449 10.302 0.104 30 HG1 THR 6 HG1 THR 6 -3.804 11.728 -1.596 31 1HG2 THR 6 1HG2 THR 6 -4.815 11.280 1.713 32 2HG2 THR 6 2HG2 THR 6 -4.352 12.941 1.292 33 3HG2 THR 6 3HG2 THR 6 -5.311 11.993 0.137 34 H PHE 7 H PHE 7 -2.797 13.717 -0.005 35 HA PHE 7 HA PHE 7 -1.416 15.568 1.912 36 1HB PHE 7 1HB PHE 7 -1.089 15.600 -1.036 37 2HB PHE 7 2HB PHE 7 -0.219 16.515 0.156 38 HD1 PHE 7 HD1 PHE 7 -0.386 13.112 -1.538 39 HD2 PHE 7 HD2 PHE 7 1.155 14.994 2.092 40 HE1 PHE 7 HE1 PHE 7 1.124 11.288 -1.171 41 HE2 PHE 7 HE2 PHE 7 2.630 13.130 2.394 42 HZ PHE 7 HZ PHE 7 2.658 11.247 0.775 43 H ILE 8 H ILE 8 -1.794 17.914 1.258 44 HA ILE 8 HA ILE 8 -4.709 18.117 1.141 45 HB ILE 8 HB ILE 8 -2.936 19.093 3.076 46 1HG1 ILE 8 1HG1 ILE 8 -4.993 20.492 3.746 47 2HG1 ILE 8 2HG1 ILE 8 -5.786 19.748 2.343 48 1HG2 ILE 8 1HG2 ILE 8 -2.189 20.922 1.519 49 2HG2 ILE 8 2HG2 ILE 8 -3.860 21.541 1.550 50 3HG2 ILE 8 3HG2 ILE 8 -2.924 21.460 3.035 51 1HD1 ILE 8 1HD1 ILE 8 -4.652 18.473 4.836 52 2HD1 ILE 8 2HD1 ILE 8 -6.305 18.359 4.165 53 3HD1 ILE 8 3HD1 ILE 8 -4.971 17.498 3.382 54 H ARG 9 H ARG 9 -5.773 19.998 0.110 55 HA ARG 9 HA ARG 9 -4.293 20.879 -2.307 56 1HB ARG 9 1HB ARG 9 -6.891 19.896 -2.060 57 2HB ARG 9 2HB ARG 9 -7.251 21.574 -1.801 58 1HG ARG 9 1HG ARG 9 -5.637 20.590 -4.204 59 2HG ARG 9 2HG ARG 9 -7.398 20.599 -4.156 60 1HD ARG 9 1HD ARG 9 -6.651 22.559 -5.317 61 2HD ARG 9 2HD ARG 9 -7.440 23.029 -3.799 62 HE ARG 9 HE ARG 9 -4.650 22.790 -3.328 63 1HH1 ARG 9 1HH1 ARG 9 -6.794 24.886 -5.208 64 2HH1 ARG 9 2HH1 ARG 9 -5.855 26.325 -4.910 65 1HH2 ARG 9 1HH2 ARG 9 -3.516 24.635 -2.835 66 2HH2 ARG 9 2HH2 ARG 9 -3.871 26.161 -3.616 67 H HIS 10 H HIS 10 -6.421 22.118 0.297 68 HA HIS 10 HA HIS 10 -4.758 24.064 1.336 69 1HB HIS 10 1HB HIS 10 -5.307 26.035 0.160 70 2HB HIS 10 2HB HIS 10 -5.526 24.996 -1.203 71 HD1 HIS 10 HD1 HIS 10 -8.254 23.837 -1.001 72 HD2 HIS 10 HD2 HIS 10 -7.488 27.810 0.091 73 HE1 HIS 10 HE1 HIS 10 -10.462 25.146 -1.111 74 H ILE 11 H ILE 11 -6.283 25.933 2.317 75 HA ILE 11 HA ILE 11 -8.481 24.540 3.640 76 HB ILE 11 HB ILE 11 -6.860 26.687 4.975 77 1HG1 ILE 11 1HG1 ILE 11 -6.086 23.758 5.053 78 2HG1 ILE 11 2HG1 ILE 11 -5.191 25.016 4.226 79 1HG2 ILE 11 1HG2 ILE 11 -9.007 25.994 6.006 80 2HG2 ILE 11 2HG2 ILE 11 -8.501 24.305 5.984 81 3HG2 ILE 11 3HG2 ILE 11 -7.680 25.490 7.025 82 1HD1 ILE 11 1HD1 ILE 11 -4.105 24.589 6.289 83 2HD1 ILE 11 2HD1 ILE 11 -4.761 26.234 6.262 84 3HD1 ILE 11 3HD1 ILE 11 -5.530 24.983 7.237 85 H ALA 12 H ALA 12 -10.322 25.866 4.263 86 HA ALA 12 HA ALA 12 -10.473 28.640 3.287 87 1HB ALA 12 1HB ALA 12 -12.396 26.344 2.603 88 2HB ALA 12 2HB ALA 12 -12.727 28.062 2.322 89 3HB ALA 12 3HB ALA 12 -11.416 27.254 1.443 90 H LEU 13 H LEU 13 -12.573 29.562 4.421 91 HA LEU 13 HA LEU 13 -13.216 27.959 6.704 92 1HB LEU 13 1HB LEU 13 -11.274 29.520 7.096 93 2HB LEU 13 2HB LEU 13 -12.328 30.894 6.958 94 HG LEU 13 HG LEU 13 -12.352 28.684 9.195 95 1HD1 LEU 13 1HD1 LEU 13 -11.116 30.041 10.418 96 2HD1 LEU 13 2HD1 LEU 13 -10.229 29.959 8.911 97 3HD1 LEU 13 3HD1 LEU 13 -11.159 31.431 9.317 98 1HD2 LEU 13 1HD2 LEU 13 -13.390 30.187 10.692 99 2HD2 LEU 13 2HD2 LEU 13 -13.560 31.451 9.472 100 3HD2 LEU 13 3HD2 LEU 13 -14.478 29.928 9.345 101 H LEU 14 H LEU 14 -15.183 28.226 7.667 102 HA LEU 14 HA LEU 14 -17.051 29.538 5.742 103 1HB LEU 14 1HB LEU 14 -17.065 26.986 7.183 104 2HB LEU 14 2HB LEU 14 -18.189 27.886 8.012 105 HG LEU 14 HG LEU 14 -19.184 28.548 5.663 106 1HD1 LEU 14 1HD1 LEU 14 -16.828 27.430 4.608 107 2HD1 LEU 14 2HD1 LEU 14 -18.034 26.183 4.276 108 3HD1 LEU 14 3HD1 LEU 14 -18.279 27.813 3.690 109 1HD2 LEU 14 1HD2 LEU 14 -20.406 26.460 5.347 110 2HD2 LEU 14 2HD2 LEU 14 -19.256 25.596 6.386 111 3HD2 LEU 14 3HD2 LEU 14 -20.272 26.881 7.064 112 H GLY 15 H GLY 15 -16.411 29.387 9.197 113 1HA GLY 15 1HA GLY 15 -16.682 32.170 9.523 114 2HA GLY 15 2HA GLY 15 -18.339 31.560 9.644 115 H PHE 16 H PHE 16 -18.847 31.830 11.704 116 HA PHE 16 HA PHE 16 -16.918 31.296 13.754 117 1HB PHE 16 1HB PHE 16 -19.148 33.032 13.355 118 2HB PHE 16 2HB PHE 16 -19.738 32.000 14.557 119 HD1 PHE 16 HD1 PHE 16 -18.507 35.225 14.397 120 HD2 PHE 16 HD2 PHE 16 -17.247 31.563 16.437 121 HE1 PHE 16 HE1 PHE 16 -17.313 36.492 16.038 122 HE2 PHE 16 HE2 PHE 16 -16.077 32.901 18.031 123 HZ PHE 16 HZ PHE 16 -16.079 35.374 17.878 124 H GLU 17 H GLU 17 -18.941 30.461 15.760 125 HA GLU 17 HA GLU 17 -20.548 28.299 15.190 126 1HB GLU 17 1HB GLU 17 -17.903 27.413 14.987 127 2HB GLU 17 2HB GLU 17 -18.338 27.084 16.659 128 1HG GLU 17 1HG GLU 17 -20.025 26.174 14.297 129 2HG GLU 17 2HG GLU 17 -18.675 25.239 14.936 130 H LYS 18 H LYS 18 -20.878 27.140 17.500 131 HA LYS 18 HA LYS 18 -20.565 28.988 19.709 132 1HB LYS 18 1HB LYS 18 -23.056 28.874 20.073 133 2HB LYS 18 2HB LYS 18 -22.498 29.917 18.776 134 1HG LYS 18 1HG LYS 18 -23.082 27.118 17.948 135 2HG LYS 18 2HG LYS 18 -24.483 27.999 18.530 136 1HD LYS 18 1HD LYS 18 -24.547 29.440 16.782 137 2HD LYS 18 2HD LYS 18 -22.800 29.510 16.577 138 1HE LYS 18 1HE LYS 18 -24.239 28.410 14.715 139 2HE LYS 18 2HE LYS 18 -22.699 27.685 15.173 140 1HZ LYS 18 1HZ LYS 18 -24.484 26.097 14.930 141 2HZ LYS 18 2HZ LYS 18 -23.741 26.053 16.387 142 3HZ LYS 18 3HZ LYS 18 -25.251 26.739 16.245 143 H ARG 19 H ARG 19 -19.588 27.469 21.177 144 HA ARG 19 HA ARG 19 -21.142 25.060 21.916 145 1HB ARG 19 1HB ARG 19 -18.114 25.480 21.835 146 2HB ARG 19 2HB ARG 19 -18.962 24.105 22.577 147 1HG ARG 19 1HG ARG 19 -19.969 23.684 20.247 148 2HG ARG 19 2HG ARG 19 -18.742 24.815 19.647 149 1HD ARG 19 1HD ARG 19 -17.042 23.378 21.025 150 2HD ARG 19 2HD ARG 19 -18.309 22.149 21.085 151 HE ARG 19 HE ARG 19 -16.487 22.678 18.973 152 1HH1 ARG 19 1HH1 ARG 19 -19.950 21.948 19.296 153 2HH1 ARG 19 2HH1 ARG 19 -20.047 21.225 17.714 154 1HH2 ARG 19 1HH2 ARG 19 -16.597 21.709 17.048 155 2HH2 ARG 19 2HH2 ARG 19 -18.086 21.041 16.402 156 H PHE 20 H PHE 20 -22.257 25.849 23.650 157 HA PHE 20 HA PHE 20 -20.957 27.691 25.388 158 1HB PHE 20 1HB PHE 20 -23.603 26.149 25.836 159 2HB PHE 20 2HB PHE 20 -23.466 27.791 26.264 160 HD1 PHE 20 HD1 PHE 20 -24.525 25.384 23.477 161 HD2 PHE 20 HD2 PHE 20 -23.448 29.607 24.043 162 HE1 PHE 20 HE1 PHE 20 -25.546 25.974 21.439 163 HE2 PHE 20 HE2 PHE 20 -24.506 30.096 21.980 164 HZ PHE 20 HZ PHE 20 -25.584 28.317 20.631 165 H VAL 21 H VAL 21 -21.236 24.293 25.137 166 HA VAL 21 HA VAL 21 -20.664 23.918 27.910 167 HB VAL 21 HB VAL 21 -22.344 21.728 27.239 168 1HG1 VAL 21 1HG1 VAL 21 -24.226 22.960 28.130 169 2HG1 VAL 21 2HG1 VAL 21 -22.784 23.470 29.042 170 3HG1 VAL 21 3HG1 VAL 21 -23.451 24.514 27.768 171 1HG2 VAL 21 1HG2 VAL 21 -22.372 22.294 24.977 172 2HG2 VAL 21 2HG2 VAL 21 -23.930 22.062 25.805 173 3HG2 VAL 21 3HG2 VAL 21 -23.399 23.710 25.388 174 HA PRO 22 HA PRO 22 -20.461 21.385 28.790 175 1HB PRO 22 1HB PRO 22 -18.318 20.207 29.997 176 2HB PRO 22 2HB PRO 22 -19.360 19.372 28.807 177 1HG PRO 22 1HG PRO 22 -16.739 20.794 28.280 178 2HG PRO 22 2HG PRO 22 -17.207 19.145 27.772 179 1HD PRO 22 1HD PRO 22 -17.448 21.322 26.159 180 2HD PRO 22 2HD PRO 22 -18.647 19.997 26.075 181 H SER 23 H SER 23 -18.004 23.394 27.777 182 HA SER 23 HA SER 23 -18.088 25.028 30.205 183 1HB SER 23 1HB SER 23 -15.582 24.185 28.546 184 2HB SER 23 2HB SER 23 -15.515 25.571 29.619 185 HG SER 23 HG SER 23 -14.860 23.565 30.574 186 H GLN 24 H GLN 24 -17.284 27.410 29.649 187 HA GLN 24 HA GLN 24 -18.944 28.216 27.467 188 1HB GLN 24 1HB GLN 24 -17.169 29.942 29.136 189 2HB GLN 24 2HB GLN 24 -18.627 30.337 28.260 190 1HG GLN 24 1HG GLN 24 -18.639 28.606 30.911 191 2HG GLN 24 2HG GLN 24 -19.401 30.150 30.744 192 1HE2 GLN 24 1HE2 GLN 24 -19.761 26.832 30.474 193 2HE2 GLN 24 2HE2 GLN 24 -21.233 26.798 29.517 194 H HIS 25 H HIS 25 -17.972 28.265 25.259 195 HA HIS 25 HA HIS 25 -15.704 29.900 24.916 196 1HB HIS 25 1HB HIS 25 -14.642 27.609 23.771 197 2HB HIS 25 2HB HIS 25 -14.191 28.114 25.425 198 HD1 HIS 25 HD1 HIS 25 -17.267 26.298 24.003 199 HD2 HIS 25 HD2 HIS 25 -14.000 25.548 26.519 200 HE1 HIS 25 HE1 HIS 25 -17.553 23.976 24.923 201 H TYR 26 H TYR 26 -16.428 30.894 22.834 202 HA TYR 26 HA TYR 26 -17.877 29.144 21.032 203 1HB TYR 26 1HB TYR 26 -16.957 32.029 20.952 204 2HB TYR 26 2HB TYR 26 -17.258 31.245 19.450 205 HD1 TYR 26 HD1 TYR 26 -19.512 30.352 22.451 206 HD2 TYR 26 HD2 TYR 26 -19.300 32.734 18.776 207 HE1 TYR 26 HE1 TYR 26 -21.843 30.787 22.544 208 HE2 TYR 26 HE2 TYR 26 -21.640 33.118 18.944 209 HH TYR 26 HH TYR 26 -23.576 32.784 20.136 210 H VAL 27 H VAL 27 -17.226 28.728 18.784 211 HA VAL 27 HA VAL 27 -14.306 28.518 18.385 212 HB VAL 27 HB VAL 27 -14.403 26.146 18.032 213 1HG1 VAL 27 1HG1 VAL 27 -15.219 25.177 20.148 214 2HG1 VAL 27 2HG1 VAL 27 -14.343 26.696 20.447 215 3HG1 VAL 27 3HG1 VAL 27 -16.123 26.622 20.508 216 1HG2 VAL 27 1HG2 VAL 27 -16.382 24.759 18.153 217 2HG2 VAL 27 2HG2 VAL 27 -17.394 26.194 18.361 218 3HG2 VAL 27 3HG2 VAL 27 -16.492 25.909 16.833 219 H TYR 28 H TYR 28 -13.990 27.587 15.930 220 HA TYR 28 HA TYR 28 -16.051 28.859 14.390 221 1HB TYR 28 1HB TYR 28 -13.794 29.111 12.804 222 2HB TYR 28 2HB TYR 28 -14.482 30.346 13.887 223 HD1 TYR 28 HD1 TYR 28 -12.178 27.400 14.119 224 HD2 TYR 28 HD2 TYR 28 -12.997 31.474 15.212 225 HE1 TYR 28 HE1 TYR 28 -10.138 27.430 15.501 226 HE2 TYR 28 HE2 TYR 28 -10.915 31.516 16.596 227 HH TYR 28 HH TYR 28 -9.118 30.432 17.284 228 H MET 29 H MET 29 -16.491 28.301 12.340 229 HA MET 29 HA MET 29 -16.281 25.439 11.961 230 1HB MET 29 1HB MET 29 -18.333 26.696 11.840 231 2HB MET 29 2HB MET 29 -17.831 27.532 10.358 232 1HG MET 29 1HG MET 29 -18.801 24.713 10.877 233 2HG MET 29 2HG MET 29 -19.412 25.925 9.764 234 1HE MET 29 1HE MET 29 -18.017 22.580 9.839 235 2HE MET 29 2HE MET 29 -16.441 22.656 9.017 236 3HE MET 29 3HE MET 29 -16.669 23.460 10.592 237 H PHE 30 H PHE 30 -14.532 24.608 10.690 238 HA PHE 30 HA PHE 30 -13.084 26.342 8.983 239 1HB PHE 30 1HB PHE 30 -12.502 24.625 11.258 240 2HB PHE 30 2HB PHE 30 -12.046 23.729 9.871 241 HD1 PHE 30 HD1 PHE 30 -11.528 27.605 10.853 242 HD2 PHE 30 HD2 PHE 30 -9.708 23.888 9.493 243 HE1 PHE 30 HE1 PHE 30 -9.339 28.632 10.635 244 HE2 PHE 30 HE2 PHE 30 -7.547 25.022 9.341 245 HZ PHE 30 HZ PHE 30 -7.374 27.413 9.914 246 H LEU 31 H LEU 31 -12.693 25.663 6.729 247 HA LEU 31 HA LEU 31 -13.852 23.114 5.930 248 1HB LEU 31 1HB LEU 31 -13.608 25.793 4.618 249 2HB LEU 31 2HB LEU 31 -13.583 24.356 3.592 250 HG LEU 31 HG LEU 31 -15.806 25.433 3.870 251 1HD1 LEU 31 1HD1 LEU 31 -15.633 22.553 4.815 252 2HD1 LEU 31 2HD1 LEU 31 -17.055 23.359 4.126 253 3HD1 LEU 31 3HD1 LEU 31 -15.600 23.111 3.125 254 1HD2 LEU 31 1HD2 LEU 31 -17.069 25.109 5.915 255 2HD2 LEU 31 2HD2 LEU 31 -15.804 24.147 6.635 256 3HD2 LEU 31 3HD2 LEU 31 -15.512 25.879 6.345 257 H VAL 32 H VAL 32 -12.499 21.424 5.398 258 HA VAL 32 HA VAL 32 -9.776 22.229 4.641 259 HB VAL 32 HB VAL 32 -9.402 20.886 6.295 260 1HG1 VAL 32 1HG1 VAL 32 -10.557 18.826 6.910 261 2HG1 VAL 32 2HG1 VAL 32 -11.653 20.215 6.882 262 3HG1 VAL 32 3HG1 VAL 32 -11.674 19.034 5.540 263 1HG2 VAL 32 1HG2 VAL 32 -8.630 18.693 5.442 264 2HG2 VAL 32 2HG2 VAL 32 -9.598 18.915 3.988 265 3HG2 VAL 32 3HG2 VAL 32 -8.242 20.011 4.312 266 H LYS 33 H LYS 33 -9.070 21.731 2.510 267 HA LYS 33 HA LYS 33 -11.081 20.449 0.789 268 1HB LYS 33 1HB LYS 33 -10.005 23.044 0.606 269 2HB LYS 33 2HB LYS 33 -9.228 22.097 -0.665 270 1HG LYS 33 1HG LYS 33 -11.142 23.012 -1.665 271 2HG LYS 33 2HG LYS 33 -11.525 21.313 -1.391 272 1HD LYS 33 1HD LYS 33 -12.836 21.931 0.621 273 2HD LYS 33 2HD LYS 33 -12.380 23.635 0.425 274 1HE LYS 33 1HE LYS 33 -13.605 23.794 -1.686 275 2HE LYS 33 2HE LYS 33 -13.851 22.051 -1.723 276 1HZ LYS 33 1HZ LYS 33 -15.066 22.467 0.470 277 2HZ LYS 33 2HZ LYS 33 -15.185 24.027 -0.037 278 3HZ LYS 33 3HZ LYS 33 -15.835 22.783 -0.922 279 H TRP 34 H TRP 34 -10.315 18.251 0.299 280 HA TRP 34 HA TRP 34 -7.419 17.939 0.334 281 1HB TRP 34 1HB TRP 34 -9.619 15.922 0.095 282 2HB TRP 34 2HB TRP 34 -7.918 15.577 0.132 283 HD1 TRP 34 HD1 TRP 34 -10.588 17.025 2.521 284 HE1 TRP 34 HE1 TRP 34 -9.902 16.412 4.940 285 HE3 TRP 34 HE3 TRP 34 -6.083 14.826 1.546 286 HZ2 TRP 34 HZ2 TRP 34 -7.673 15.114 6.271 287 HZ3 TRP 34 HZ3 TRP 34 -4.734 13.914 3.404 288 HH2 TRP 34 HH2 TRP 34 -5.541 13.998 5.741 289 H GLN 35 H GLN 35 -6.325 17.002 -1.562 290 HA GLN 35 HA GLN 35 -7.721 17.816 -4.059 291 1HB GLN 35 1HB GLN 35 -5.453 17.749 -5.129 292 2HB GLN 35 2HB GLN 35 -5.026 18.234 -3.503 293 1HG GLN 35 1HG GLN 35 -4.928 15.359 -4.531 294 2HG GLN 35 2HG GLN 35 -3.616 16.526 -4.515 295 1HE2 GLN 35 1HE2 GLN 35 -5.639 14.472 -2.452 296 2HE2 GLN 35 2HE2 GLN 35 -4.737 14.798 -0.975 297 H ASP 36 H ASP 36 -7.743 15.072 -2.295 298 HA ASP 36 HA ASP 36 -8.513 13.471 -4.647 299 1HB ASP 36 1HB ASP 36 -6.246 12.662 -3.620 300 2HB ASP 36 2HB ASP 36 -7.015 12.509 -2.062 301 H LEU 37 H LEU 37 -8.707 13.393 -1.078 302 HA LEU 37 HA LEU 37 -11.250 12.166 -0.988 303 1HB LEU 37 1HB LEU 37 -9.859 13.954 1.018 304 2HB LEU 37 2HB LEU 37 -11.316 13.049 1.345 305 HG LEU 37 HG LEU 37 -9.491 11.989 2.349 306 1HD1 LEU 37 1HD1 LEU 37 -9.619 9.718 1.554 307 2HD1 LEU 37 2HD1 LEU 37 -11.216 10.478 1.457 308 3HD1 LEU 37 3HD1 LEU 37 -10.240 10.248 -0.017 309 1HD2 LEU 37 1HD2 LEU 37 -7.683 12.835 0.814 310 2HD2 LEU 37 2HD2 LEU 37 -7.523 11.151 1.343 311 3HD2 LEU 37 3HD2 LEU 37 -8.101 11.497 -0.287 312 H SER 38 H SER 38 -10.564 15.335 -2.007 313 HA SER 38 HA SER 38 -11.914 17.125 -2.587 314 1HB SER 38 1HB SER 38 -14.232 15.041 -2.214 315 2HB SER 38 2HB SER 38 -14.368 16.552 -3.068 316 HG SER 38 HG SER 38 -12.491 14.517 -3.700 317 H GLU 39 H GLU 39 -14.467 17.935 -1.492 318 HA GLU 39 HA GLU 39 -13.286 19.133 0.715 319 1HB GLU 39 1HB GLU 39 -15.580 20.464 0.833 320 2HB GLU 39 2HB GLU 39 -14.922 20.397 -0.805 321 1HG GLU 39 1HG GLU 39 -16.436 18.579 -1.373 322 2HG GLU 39 2HG GLU 39 -17.105 18.638 0.267 323 H LYS 40 H LYS 40 -13.761 19.365 2.902 324 HA LYS 40 HA LYS 40 -15.618 17.497 4.064 325 1HB LYS 40 1HB LYS 40 -12.612 17.050 4.236 326 2HB LYS 40 2HB LYS 40 -13.581 16.861 5.698 327 1HG LYS 40 1HG LYS 40 -13.947 14.771 5.075 328 2HG LYS 40 2HG LYS 40 -15.138 15.431 3.972 329 1HD LYS 40 1HD LYS 40 -13.040 15.561 2.298 330 2HD LYS 40 2HD LYS 40 -12.347 14.409 3.446 331 1HE LYS 40 1HE LYS 40 -13.458 12.927 1.994 332 2HE LYS 40 2HE LYS 40 -14.715 13.196 3.198 333 1HZ LYS 40 1HZ LYS 40 -14.416 14.355 0.538 334 2HZ LYS 40 2HZ LYS 40 -15.701 13.511 1.124 335 3HZ LYS 40 3HZ LYS 40 -15.416 15.071 1.627 336 H VAL 41 H VAL 41 -16.150 18.165 6.278 337 HA VAL 41 HA VAL 41 -15.271 20.900 6.759 338 HB VAL 41 HB VAL 41 -17.324 21.491 7.273 339 1HG1 VAL 41 1HG1 VAL 41 -18.759 20.804 5.474 340 2HG1 VAL 41 2HG1 VAL 41 -17.097 20.753 4.882 341 3HG1 VAL 41 3HG1 VAL 41 -17.927 19.250 5.302 342 1HG2 VAL 41 1HG2 VAL 41 -19.173 19.984 7.936 343 2HG2 VAL 41 2HG2 VAL 41 -18.024 18.618 7.914 344 3HG2 VAL 41 3HG2 VAL 41 -17.809 19.964 9.060 345 H VAL 42 H VAL 42 -14.634 21.518 8.919 346 HA VAL 42 HA VAL 42 -14.708 19.454 10.978 347 HB VAL 42 HB VAL 42 -12.303 19.529 11.401 348 1HG1 VAL 42 1HG1 VAL 42 -11.357 18.409 9.455 349 2HG1 VAL 42 2HG1 VAL 42 -13.015 17.847 9.756 350 3HG1 VAL 42 3HG1 VAL 42 -12.682 18.977 8.436 351 1HG2 VAL 42 1HG2 VAL 42 -10.731 20.673 9.785 352 2HG2 VAL 42 2HG2 VAL 42 -12.135 21.488 9.077 353 3HG2 VAL 42 3HG2 VAL 42 -11.696 21.764 10.783 354 H TYR 43 H TYR 43 -14.196 20.413 13.132 355 HA TYR 43 HA TYR 43 -14.916 23.238 13.167 356 1HB TYR 43 1HB TYR 43 -14.880 21.273 15.410 357 2HB TYR 43 2HB TYR 43 -15.735 22.796 15.278 358 HD1 TYR 43 HD1 TYR 43 -15.626 19.199 13.665 359 HD2 TYR 43 HD2 TYR 43 -18.253 22.657 14.265 360 HE1 TYR 43 HE1 TYR 43 -17.385 18.038 12.759 361 HE2 TYR 43 HE2 TYR 43 -19.996 21.408 13.342 362 HH TYR 43 HH TYR 43 -19.655 18.025 12.213 363 H ARG 44 H ARG 44 -13.674 24.675 14.639 364 HA ARG 44 HA ARG 44 -11.353 23.350 15.856 365 1HB ARG 44 1HB ARG 44 -10.791 24.221 13.424 366 2HB ARG 44 2HB ARG 44 -10.745 25.789 14.173 367 1HG ARG 44 1HG ARG 44 -8.529 24.828 14.056 368 2HG ARG 44 2HG ARG 44 -9.031 25.076 15.737 369 1HD ARG 44 1HD ARG 44 -7.771 22.876 15.167 370 2HD ARG 44 2HD ARG 44 -9.197 22.787 16.178 371 HE ARG 44 HE ARG 44 -10.369 21.649 14.599 372 1HH1 ARG 44 1HH1 ARG 44 -7.598 23.074 12.909 373 2HH1 ARG 44 2HH1 ARG 44 -7.788 22.071 11.499 374 1HH2 ARG 44 1HH2 ARG 44 -10.597 20.349 12.806 375 2HH2 ARG 44 2HH2 ARG 44 -9.465 20.431 11.479 376 H ARG 45 H ARG 45 -10.431 24.413 17.652 377 HA ARG 45 HA ARG 45 -11.928 26.750 18.633 378 1HB ARG 45 1HB ARG 45 -10.516 24.716 20.400 379 2HB ARG 45 2HB ARG 45 -11.703 25.942 20.848 380 1HG ARG 45 1HG ARG 45 -13.313 24.553 19.296 381 2HG ARG 45 2HG ARG 45 -12.115 23.284 19.458 382 1HD ARG 45 1HD ARG 45 -13.443 24.743 21.809 383 2HD ARG 45 2HD ARG 45 -13.988 23.189 21.218 384 HE ARG 45 HE ARG 45 -11.797 23.730 22.979 385 1HH1 ARG 45 1HH1 ARG 45 -12.857 21.402 20.496 386 2HH1 ARG 45 2HH1 ARG 45 -11.537 20.298 20.795 387 1HH2 ARG 45 1HH2 ARG 45 -10.341 22.087 23.638 388 2HH2 ARG 45 2HH2 ARG 45 -10.084 20.730 22.569 389 H PHE 46 H PHE 46 -10.653 28.175 20.114 390 HA PHE 46 HA PHE 46 -8.164 28.916 19.062 391 1HB PHE 46 1HB PHE 46 -8.049 30.367 21.104 392 2HB PHE 46 2HB PHE 46 -9.483 30.549 20.110 393 HD1 PHE 46 HD1 PHE 46 -11.719 29.848 20.931 394 HD2 PHE 46 HD2 PHE 46 -8.191 29.530 23.412 395 HE1 PHE 46 HE1 PHE 46 -13.141 29.572 22.930 396 HE2 PHE 46 HE2 PHE 46 -9.632 29.251 25.405 397 HZ PHE 46 HZ PHE 46 -12.101 29.272 25.173 398 H THR 47 H THR 47 -8.739 27.384 22.223 399 HA THR 47 HA THR 47 -5.996 26.962 22.843 400 HB THR 47 HB THR 47 -7.844 26.850 24.498 401 HG1 THR 47 HG1 THR 47 -6.112 24.634 24.262 402 1HG2 THR 47 1HG2 THR 47 -9.487 25.509 23.165 403 2HG2 THR 47 2HG2 THR 47 -8.425 24.089 23.320 404 3HG2 THR 47 3HG2 THR 47 -9.159 24.813 24.761 405 H GLU 48 H GLU 48 -7.975 25.187 20.587 406 HA GLU 48 HA GLU 48 -6.312 22.819 20.589 407 1HB GLU 48 1HB GLU 48 -8.498 23.891 18.743 408 2HB GLU 48 2HB GLU 48 -7.558 22.519 18.397 409 1HG GLU 48 1HG GLU 48 -9.142 22.808 20.975 410 2HG GLU 48 2HG GLU 48 -9.799 22.049 19.510 411 H ILE 49 H ILE 49 -6.782 25.734 18.552 412 HA ILE 49 HA ILE 49 -4.689 25.075 16.693 413 HB ILE 49 HB ILE 49 -5.909 27.730 17.475 414 1HG1 ILE 49 1HG1 ILE 49 -5.992 26.485 14.731 415 2HG1 ILE 49 2HG1 ILE 49 -6.895 25.616 15.994 416 1HG2 ILE 49 1HG2 ILE 49 -4.763 28.597 15.417 417 2HG2 ILE 49 2HG2 ILE 49 -3.688 28.328 16.794 418 3HG2 ILE 49 3HG2 ILE 49 -3.732 27.142 15.473 419 1HD1 ILE 49 1HD1 ILE 49 -8.163 27.311 14.738 420 2HD1 ILE 49 2HD1 ILE 49 -8.205 27.448 16.508 421 3HD1 ILE 49 3HD1 ILE 49 -7.186 28.567 15.592 422 H TYR 50 H TYR 50 -4.722 26.824 19.800 423 HA TYR 50 HA TYR 50 -1.946 27.558 19.725 424 1HB TYR 50 1HB TYR 50 -3.651 26.903 22.184 425 2HB TYR 50 2HB TYR 50 -2.216 27.858 22.162 426 HD1 TYR 50 HD1 TYR 50 -4.780 28.991 23.376 427 HD2 TYR 50 HD2 TYR 50 -3.494 29.268 19.217 428 HE1 TYR 50 HE1 TYR 50 -6.106 30.994 23.059 429 HE2 TYR 50 HE2 TYR 50 -4.827 31.239 18.964 430 HH TYR 50 HH TYR 50 -6.678 32.716 21.637 431 H GLU 51 H GLU 51 -3.677 24.740 21.051 432 HA GLU 51 HA GLU 51 -1.347 23.520 22.149 433 1HB GLU 51 1HB GLU 51 -3.562 22.760 22.758 434 2HB GLU 51 2HB GLU 51 -3.799 22.051 21.140 435 1HG GLU 51 1HG GLU 51 -1.877 20.546 21.525 436 2HG GLU 51 2HG GLU 51 -1.585 21.303 23.102 437 H PHE 52 H PHE 52 -2.849 23.132 18.936 438 HA PHE 52 HA PHE 52 -1.036 21.304 17.751 439 1HB PHE 52 1HB PHE 52 -2.933 21.976 16.472 440 2HB PHE 52 2HB PHE 52 -2.572 23.655 16.567 441 HD1 PHE 52 HD1 PHE 52 -0.330 24.633 14.946 442 HD2 PHE 52 HD2 PHE 52 -1.922 20.570 14.732 443 HE1 PHE 52 HE1 PHE 52 0.776 24.218 12.868 444 HE2 PHE 52 HE2 PHE 52 -0.804 20.270 12.656 445 HZ PHE 52 HZ PHE 52 0.571 22.104 11.674 446 H HIS 53 H HIS 53 -1.032 24.816 17.492 447 HA HIS 53 HA HIS 53 1.401 25.000 16.271 448 1HB HIS 53 1HB HIS 53 -0.452 26.712 16.532 449 2HB HIS 53 2HB HIS 53 0.163 27.092 18.157 450 HD1 HIS 53 HD1 HIS 53 1.983 26.328 14.973 451 HD2 HIS 53 HD2 HIS 53 1.379 29.671 17.408 452 HE1 HIS 53 HE1 HIS 53 3.289 28.033 13.988 453 H LYS 54 H LYS 54 0.664 25.009 19.571 454 HA LYS 54 HA LYS 54 3.346 25.548 20.522 455 1HB LYS 54 1HB LYS 54 1.578 25.818 22.096 456 2HB LYS 54 2HB LYS 54 1.059 24.127 21.913 457 1HG LYS 54 1HG LYS 54 3.042 23.301 22.984 458 2HG LYS 54 2HG LYS 54 3.790 24.916 22.992 459 1HD LYS 54 1HD LYS 54 2.088 25.736 24.551 460 2HD LYS 54 2HD LYS 54 1.164 24.236 24.389 461 1HE LYS 54 1HE LYS 54 2.377 24.283 26.509 462 2HE LYS 54 2HE LYS 54 2.936 22.944 25.493 463 1HZ LYS 54 1HZ LYS 54 4.681 24.241 26.624 464 2HZ LYS 54 2HZ LYS 54 4.910 24.088 25.031 465 3HZ LYS 54 3HZ LYS 54 4.348 25.523 25.645 466 H THR 55 H THR 55 1.666 22.564 19.657 467 HA THR 55 HA THR 55 3.910 20.846 20.430 468 HB THR 55 HB THR 55 1.585 20.302 18.550 469 HG1 THR 55 HG1 THR 55 1.943 19.787 21.322 470 1HG2 THR 55 1HG2 THR 55 3.236 18.686 18.129 471 2HG2 THR 55 2HG2 THR 55 3.524 18.404 19.863 472 3HG2 THR 55 3HG2 THR 55 1.978 17.931 19.103 473 H LEU 56 H LEU 56 2.980 22.402 17.417 474 HA LEU 56 HA LEU 56 5.019 21.154 15.927 475 1HB LEU 56 1HB LEU 56 3.085 22.763 15.065 476 2HB LEU 56 2HB LEU 56 4.087 24.070 15.616 477 HG LEU 56 HG LEU 56 4.137 23.969 13.350 478 1HD1 LEU 56 1HD1 LEU 56 6.482 24.082 12.975 479 2HD1 LEU 56 2HD1 LEU 56 6.083 24.809 14.555 480 3HD1 LEU 56 3HD1 LEU 56 6.836 23.192 14.410 481 1HD2 LEU 56 1HD2 LEU 56 4.107 21.740 12.413 482 2HD2 LEU 56 2HD2 LEU 56 5.845 22.029 12.377 483 3HD2 LEU 56 3HD2 LEU 56 5.136 21.098 13.686 484 H LYS 57 H LYS 57 5.036 24.208 17.748 485 HA LYS 57 HA LYS 57 7.801 24.653 17.239 486 1HB LYS 57 1HB LYS 57 5.834 25.644 19.361 487 2HB LYS 57 2HB LYS 57 7.462 26.322 19.171 488 1HG LYS 57 1HG LYS 57 6.929 26.951 16.812 489 2HG LYS 57 2HG LYS 57 5.325 26.277 16.952 490 1HD LYS 57 1HD LYS 57 4.546 27.972 18.329 491 2HD LYS 57 2HD LYS 57 6.170 28.435 18.886 492 1HE LYS 57 1HE LYS 57 6.754 29.446 16.820 493 2HE LYS 57 2HE LYS 57 5.382 28.728 15.961 494 1HZ LYS 57 1HZ LYS 57 5.108 31.072 16.495 495 2HZ LYS 57 2HZ LYS 57 3.914 30.124 17.088 496 3HZ LYS 57 3HZ LYS 57 5.085 30.716 18.104 497 H GLU 58 H GLU 58 6.280 22.636 19.563 498 HA GLU 58 HA GLU 58 8.579 22.562 21.308 499 1HB GLU 58 1HB GLU 58 6.053 20.783 21.126 500 2HB GLU 58 2HB GLU 58 7.272 20.446 22.274 501 1HG GLU 58 1HG GLU 58 6.323 23.402 22.254 502 2HG GLU 58 2HG GLU 58 5.187 22.237 22.889 503 H MET 59 H MET 59 7.022 20.226 18.986 504 HA MET 59 HA MET 59 9.166 18.382 19.152 505 1HB MET 59 1HB MET 59 7.329 18.914 16.853 506 2HB MET 59 2HB MET 59 8.206 17.437 17.110 507 1HG MET 59 1HG MET 59 6.786 16.859 19.049 508 2HG MET 59 2HG MET 59 5.874 18.345 18.858 509 1HE MET 59 1HE MET 59 5.834 18.238 15.451 510 2HE MET 59 2HE MET 59 4.162 17.700 15.307 511 3HE MET 59 3HE MET 59 4.600 18.959 16.478 512 H PHE 60 H PHE 60 8.427 20.955 16.733 513 HA PHE 60 HA PHE 60 11.005 20.587 15.453 514 1HB PHE 60 1HB PHE 60 8.767 22.441 14.831 515 2HB PHE 60 2HB PHE 60 10.233 22.238 14.002 516 HD1 PHE 60 HD1 PHE 60 6.865 20.304 14.706 517 HD2 PHE 60 HD2 PHE 60 10.589 20.175 12.405 518 HE1 PHE 60 HE1 PHE 60 6.042 18.544 13.321 519 HE2 PHE 60 HE2 PHE 60 9.683 18.411 11.100 520 HZ PHE 60 HZ PHE 60 7.392 17.561 11.520 521 HA PRO 61 HA PRO 61 11.527 24.407 18.294 522 1HB PRO 61 1HB PRO 61 14.112 24.307 19.033 523 2HB PRO 61 2HB PRO 61 12.876 23.246 19.778 524 1HG PRO 61 1HG PRO 61 14.818 22.564 17.568 525 2HG PRO 61 2HG PRO 61 14.439 21.607 19.029 526 1HD PRO 61 1HD PRO 61 13.349 21.232 16.563 527 2HD PRO 61 2HD PRO 61 12.445 20.815 18.092 528 H ILE 62 H ILE 62 13.107 23.233 15.471 529 HA ILE 62 HA ILE 62 14.556 25.567 14.700 530 HB ILE 62 HB ILE 62 13.343 23.403 13.022 531 1HG1 ILE 62 1HG1 ILE 62 14.739 22.213 14.632 532 2HG1 ILE 62 2HG1 ILE 62 15.536 22.195 13.061 533 1HG2 ILE 62 1HG2 ILE 62 15.617 25.125 12.319 534 2HG2 ILE 62 2HG2 ILE 62 14.933 23.788 11.348 535 3HG2 ILE 62 3HG2 ILE 62 13.944 25.206 11.683 536 1HD1 ILE 62 1HD1 ILE 62 16.221 24.056 15.385 537 2HD1 ILE 62 2HD1 ILE 62 17.141 22.642 14.853 538 3HD1 ILE 62 3HD1 ILE 62 17.024 24.059 13.797 539 H GLU 63 H GLU 63 11.293 24.229 13.957 540 HA GLU 63 HA GLU 63 10.828 26.420 12.206 541 1HB GLU 63 1HB GLU 63 9.340 24.348 12.272 542 2HB GLU 63 2HB GLU 63 8.471 25.220 13.563 543 1HG GLU 63 1HG GLU 63 8.467 27.261 11.873 544 2HG GLU 63 2HG GLU 63 8.979 26.112 10.674 545 H ALA 64 H ALA 64 11.226 26.273 15.553 546 HA ALA 64 HA ALA 64 9.923 28.852 15.996 547 1HB ALA 64 1HB ALA 64 10.477 26.695 18.096 548 2HB ALA 64 2HB ALA 64 9.346 28.069 18.244 549 3HB ALA 64 3HB ALA 64 8.985 26.692 17.168 550 H GLY 65 H GLY 65 12.405 28.514 14.873 551 1HA GLY 65 1HA GLY 65 13.805 30.261 16.647 552 2HA GLY 65 2HA GLY 65 14.535 28.607 16.581 553 H ALA 66 H ALA 66 14.372 27.827 14.033 554 HA ALA 66 HA ALA 66 16.093 29.819 12.776 555 1HB ALA 66 1HB ALA 66 16.760 28.121 11.221 556 2HB ALA 66 2HB ALA 66 16.677 27.303 12.798 557 3HB ALA 66 3HB ALA 66 15.342 27.142 11.612 558 H ILE 67 H ILE 67 12.890 28.820 12.784 559 HA ILE 67 HA ILE 67 12.399 30.411 10.255 560 HB ILE 67 HB ILE 67 10.698 28.222 11.388 561 1HG1 ILE 67 1HG1 ILE 67 12.909 28.214 9.257 562 2HG1 ILE 67 2HG1 ILE 67 12.851 27.225 10.723 563 1HG2 ILE 67 1HG2 ILE 67 10.657 29.593 8.679 564 2HG2 ILE 67 2HG2 ILE 67 9.676 28.171 9.109 565 3HG2 ILE 67 3HG2 ILE 67 9.400 29.674 9.932 566 1HD1 ILE 67 1HD1 ILE 67 12.506 25.819 8.868 567 2HD1 ILE 67 2HD1 ILE 67 10.989 25.918 9.765 568 3HD1 ILE 67 3HD1 ILE 67 11.198 26.818 8.231 569 H ASN 68 H ASN 68 12.511 30.906 13.347 570 HA ASN 68 HA ASN 68 9.919 32.329 13.478 571 1HB ASN 68 1HB ASN 68 11.596 31.212 15.503 572 2HB ASN 68 2HB ASN 68 11.381 32.933 15.827 573 1HD2 ASN 68 1HD2 ASN 68 9.251 30.378 14.373 574 2HD2 ASN 68 2HD2 ASN 68 7.895 30.706 15.424 575 HA PRO 69 HA PRO 69 12.228 36.276 13.571 576 1HB PRO 69 1HB PRO 69 14.913 36.533 13.012 577 2HB PRO 69 2HB PRO 69 14.318 36.088 14.641 578 1HG PRO 69 1HG PRO 69 15.379 34.254 12.488 579 2HG PRO 69 2HG PRO 69 15.729 34.228 14.236 580 1HD PRO 69 1HD PRO 69 13.841 32.613 12.990 581 2HD PRO 69 2HD PRO 69 13.698 33.121 14.711 582 H GLU 70 H GLU 70 13.788 34.335 11.138 583 HA GLU 70 HA GLU 70 13.545 36.389 9.143 584 1HB GLU 70 1HB GLU 70 14.213 34.444 7.510 585 2HB GLU 70 2HB GLU 70 15.170 34.290 8.932 586 1HG GLU 70 1HG GLU 70 14.399 32.076 8.949 587 2HG GLU 70 2HG GLU 70 12.981 32.669 9.729 588 H ASN 71 H ASN 71 11.495 33.802 10.185 589 HA ASN 71 HA ASN 71 9.352 34.846 8.388 590 1HB ASN 71 1HB ASN 71 10.234 32.149 8.573 591 2HB ASN 71 2HB ASN 71 8.889 32.166 9.686 592 1HD2 ASN 71 1HD2 ASN 71 9.286 31.143 6.814 593 2HD2 ASN 71 2HD2 ASN 71 7.762 31.636 6.083 594 H ARG 72 H ARG 72 9.982 36.303 10.528 595 HA ARG 72 HA ARG 72 8.128 35.709 12.710 596 1HB ARG 72 1HB ARG 72 10.244 37.157 12.861 597 2HB ARG 72 2HB ARG 72 9.290 38.458 12.140 598 1HG ARG 72 1HG ARG 72 7.663 38.216 14.034 599 2HG ARG 72 2HG ARG 72 8.636 36.888 14.687 600 1HD ARG 72 1HD ARG 72 10.545 38.373 15.003 601 2HD ARG 72 2HD ARG 72 9.678 39.730 14.284 602 HE ARG 72 HE ARG 72 9.447 38.660 16.979 603 1HH1 ARG 72 1HH1 ARG 72 7.601 40.344 14.474 604 2HH1 ARG 72 2HH1 ARG 72 6.554 41.170 15.593 605 1HH2 ARG 72 1HH2 ARG 72 8.062 39.726 18.467 606 2HH2 ARG 72 2HH2 ARG 72 6.818 40.803 17.897 607 H ILE 73 H ILE 73 6.749 35.356 10.477 608 HA ILE 73 HA ILE 73 4.655 37.419 10.290 609 HB ILE 73 HB ILE 73 5.503 35.253 8.298 610 1HG1 ILE 73 1HG1 ILE 73 5.762 37.442 6.833 611 2HG1 ILE 73 2HG1 ILE 73 5.992 38.250 8.385 612 1HG2 ILE 73 1HG2 ILE 73 3.311 37.358 8.153 613 2HG2 ILE 73 2HG2 ILE 73 3.822 36.322 6.805 614 3HG2 ILE 73 3HG2 ILE 73 3.085 35.596 8.222 615 1HD1 ILE 73 1HD1 ILE 73 7.993 36.835 8.785 616 2HD1 ILE 73 2HD1 ILE 73 7.622 35.882 7.330 617 3HD1 ILE 73 3HD1 ILE 73 8.109 37.575 7.196 618 H ILE 74 H ILE 74 5.682 34.147 11.218 619 HA ILE 74 HA ILE 74 3.329 32.682 11.241 620 HB ILE 74 HB ILE 74 5.535 32.803 13.325 621 1HG1 ILE 74 1HG1 ILE 74 5.331 30.631 11.237 622 2HG1 ILE 74 2HG1 ILE 74 6.087 32.154 10.793 623 1HG2 ILE 74 1HG2 ILE 74 3.479 31.631 14.166 624 2HG2 ILE 74 2HG2 ILE 74 3.467 30.618 12.712 625 3HG2 ILE 74 3HG2 ILE 74 4.775 30.467 13.890 626 1HD1 ILE 74 1HD1 ILE 74 6.985 30.411 13.138 627 2HD1 ILE 74 2HD1 ILE 74 7.760 30.524 11.559 628 3HD1 ILE 74 3HD1 ILE 74 7.726 31.938 12.620 629 HA PRO 75 HA PRO 75 1.051 35.393 13.862 630 1HB PRO 75 1HB PRO 75 -1.239 34.024 14.464 631 2HB PRO 75 2HB PRO 75 -0.828 34.609 12.833 632 1HG PRO 75 1HG PRO 75 -0.233 31.847 13.954 633 2HG PRO 75 2HG PRO 75 -1.136 32.281 12.477 634 1HD PRO 75 1HD PRO 75 1.502 31.690 12.338 635 2HD PRO 75 2HD PRO 75 0.837 33.051 11.383 636 H HIS 76 H HIS 76 2.932 34.999 15.487 637 HA HIS 76 HA HIS 76 2.508 33.155 17.719 638 1HB HIS 76 1HB HIS 76 4.626 34.172 18.548 639 2HB HIS 76 2HB HIS 76 4.728 33.498 16.923 640 HD1 HIS 76 HD1 HIS 76 3.862 36.983 18.285 641 HD2 HIS 76 HD2 HIS 76 6.214 35.153 15.342 642 HE1 HIS 76 HE1 HIS 76 5.080 38.837 17.027 643 H LEU 77 H LEU 77 0.245 34.583 17.636 644 HA LEU 77 HA LEU 77 0.411 36.875 19.475 645 1HB LEU 77 1HB LEU 77 -1.700 35.667 17.697 646 2HB LEU 77 2HB LEU 77 -2.166 36.735 19.024 647 HG LEU 77 HG LEU 77 -0.821 38.554 18.163 648 1HD1 LEU 77 1HD1 LEU 77 0.214 38.404 15.868 649 2HD1 LEU 77 2HD1 LEU 77 1.070 37.452 17.075 650 3HD1 LEU 77 3HD1 LEU 77 -0.018 36.646 15.920 651 1HD2 LEU 77 1HD2 LEU 77 -3.151 38.234 17.308 652 2HD2 LEU 77 2HD2 LEU 77 -2.099 39.061 16.151 653 3HD2 LEU 77 3HD2 LEU 77 -2.485 37.346 15.919 654 HA PRO 78 HA PRO 78 -0.528 34.123 22.891 655 1HB PRO 78 1HB PRO 78 -1.018 35.910 24.884 656 2HB PRO 78 2HB PRO 78 0.590 35.791 24.116 657 1HG PRO 78 1HG PRO 78 -1.634 37.742 23.426 658 2HG PRO 78 2HG PRO 78 0.069 38.126 23.818 659 1HD PRO 78 1HD PRO 78 -0.797 37.866 21.241 660 2HD PRO 78 2HD PRO 78 0.828 37.296 21.739 661 H ALA 79 H ALA 79 -2.340 33.921 24.653 662 HA ALA 79 HA ALA 79 -4.916 33.832 23.305 663 1HB ALA 79 1HB ALA 79 -4.050 33.120 26.139 664 2HB ALA 79 2HB ALA 79 -5.642 32.783 25.427 665 3HB ALA 79 3HB ALA 79 -4.186 32.006 24.763 666 HA PRO 80 HA PRO 80 -5.563 37.975 25.164 667 1HB PRO 80 1HB PRO 80 -7.615 38.875 23.761 668 2HB PRO 80 2HB PRO 80 -6.064 38.519 22.970 669 1HG PRO 80 1HG PRO 80 -8.440 36.623 23.127 670 2HG PRO 80 2HG PRO 80 -7.589 37.174 21.654 671 1HD PRO 80 1HD PRO 80 -6.954 34.851 22.935 672 2HD PRO 80 2HD PRO 80 -5.702 35.867 22.163 673 H LYS 81 H LYS 81 -6.422 35.666 26.693 674 HA LYS 81 HA LYS 81 -9.154 36.287 27.563 675 1HB LYS 81 1HB LYS 81 -8.892 34.284 29.025 676 2HB LYS 81 2HB LYS 81 -8.624 33.978 27.319 677 1HG LYS 81 1HG LYS 81 -7.015 32.707 28.426 678 2HG LYS 81 2HG LYS 81 -6.142 34.027 27.691 679 1HD LYS 81 1HD LYS 81 -5.214 33.575 29.811 680 2HD LYS 81 2HD LYS 81 -5.978 35.148 29.951 681 1HE LYS 81 1HE LYS 81 -7.549 32.655 30.720 682 2HE LYS 81 2HE LYS 81 -6.240 33.179 31.787 683 1HZ LYS 81 1HZ LYS 81 -8.433 34.074 32.352 684 2HZ LYS 81 2HZ LYS 81 -7.268 35.218 32.133 685 3HZ LYS 81 3HZ LYS 81 -8.398 34.992 30.977 686 H TRP 82 H TRP 82 -6.571 37.943 28.029 687 HA TRP 82 HA TRP 82 -6.800 38.441 30.923 688 1HB TRP 82 1HB TRP 82 -4.766 39.848 30.383 689 2HB TRP 82 2HB TRP 82 -4.614 38.086 30.290 690 HD1 TRP 82 HD1 TRP 82 -3.896 36.985 28.058 691 HE1 TRP 82 HE1 TRP 82 -3.033 37.885 25.820 692 HE3 TRP 82 HE3 TRP 82 -5.034 41.954 28.650 693 HZ2 TRP 82 HZ2 TRP 82 -2.860 40.393 24.452 694 HZ3 TRP 82 HZ3 TRP 82 -4.506 43.570 26.847 695 HH2 TRP 82 HH2 TRP 82 -3.424 42.802 24.747 696 H PHE 83 H PHE 83 -7.895 39.508 27.827 697 HA PHE 83 HA PHE 83 -9.353 41.696 29.045 698 1HB PHE 83 1HB PHE 83 -7.179 42.701 28.370 699 2HB PHE 83 2HB PHE 83 -7.477 42.217 26.699 700 HD1 PHE 83 HD1 PHE 83 -10.627 43.332 28.041 701 HD2 PHE 83 HD2 PHE 83 -6.768 44.783 26.736 702 HE1 PHE 83 HE1 PHE 83 -11.585 45.559 27.669 703 HE2 PHE 83 HE2 PHE 83 -7.752 47.025 26.370 704 HZ PHE 83 HZ PHE 83 -10.167 47.418 26.840 705 H ASP 84 H ASP 84 -10.240 39.265 28.346 706 HA ASP 84 HA ASP 84 -11.002 38.783 25.737 707 1HB ASP 84 1HB ASP 84 -11.251 37.260 27.880 708 2HB ASP 84 2HB ASP 84 -12.849 37.944 28.024 709 H GLY 85 H GLY 85 -11.647 40.834 24.803 710 1HA GLY 85 1HA GLY 85 -14.467 41.415 24.906 711 2HA GLY 85 2HA GLY 85 -13.371 42.741 25.363 712 H GLN 86 H GLN 86 -13.821 44.007 23.353 713 HA GLN 86 HA GLN 86 -13.879 42.867 20.775 714 1HB GLN 86 1HB GLN 86 -13.265 45.733 21.661 715 2HB GLN 86 2HB GLN 86 -13.551 45.224 19.997 716 1HG GLN 86 1HG GLN 86 -15.592 46.140 20.728 717 2HG GLN 86 2HG GLN 86 -15.819 44.389 20.643 718 1HE2 GLN 86 1HE2 GLN 86 -17.717 44.807 22.043 719 2HE2 GLN 86 2HE2 GLN 86 -17.474 45.006 23.767 720 H ARG 87 H ARG 87 -11.130 43.658 22.682 721 HA ARG 87 HA ARG 87 -9.396 43.481 20.285 722 1HB ARG 87 1HB ARG 87 -8.847 43.875 23.349 723 2HB ARG 87 2HB ARG 87 -7.541 43.769 22.184 724 1HG ARG 87 1HG ARG 87 -8.542 45.743 20.951 725 2HG ARG 87 2HG ARG 87 -9.721 45.895 22.267 726 1HD ARG 87 1HD ARG 87 -7.764 46.073 23.889 727 2HD ARG 87 2HD ARG 87 -6.680 46.021 22.500 728 HE ARG 87 HE ARG 87 -7.108 48.195 22.000 729 1HH1 ARG 87 1HH1 ARG 87 -9.602 47.095 24.261 730 2HH1 ARG 87 2HH1 ARG 87 -10.281 48.681 24.504 731 1HH2 ARG 87 1HH2 ARG 87 -7.960 50.294 22.357 732 2HH2 ARG 87 2HH2 ARG 87 -9.316 50.524 23.422 733 H ALA 88 H ALA 88 -10.908 41.356 22.287 734 HA ALA 88 HA ALA 88 -8.879 39.243 21.987 735 1HB ALA 88 1HB ALA 88 -9.883 39.588 24.154 736 2HB ALA 88 2HB ALA 88 -11.489 39.176 23.474 737 3HB ALA 88 3HB ALA 88 -10.196 37.964 23.509 738 H ALA 89 H ALA 89 -11.922 40.450 20.923 739 HA ALA 89 HA ALA 89 -12.813 38.154 19.432 740 1HB ALA 89 1HB ALA 89 -14.377 39.919 20.121 741 2HB ALA 89 2HB ALA 89 -13.521 41.101 19.111 742 3HB ALA 89 3HB ALA 89 -14.370 39.740 18.356 743 H GLU 90 H GLU 90 -11.508 41.270 18.343 744 HA GLU 90 HA GLU 90 -10.792 40.230 15.726 745 1HB GLU 90 1HB GLU 90 -9.904 42.795 17.160 746 2HB GLU 90 2HB GLU 90 -9.746 42.478 15.425 747 1HG GLU 90 1HG GLU 90 -12.203 42.353 15.205 748 2HG GLU 90 2HG GLU 90 -12.398 42.671 16.935 749 H ASN 91 H ASN 91 -9.233 39.548 18.573 750 HA ASN 91 HA ASN 91 -6.577 39.341 17.193 751 1HB ASN 91 1HB ASN 91 -6.417 40.256 19.529 752 2HB ASN 91 2HB ASN 91 -7.432 38.967 20.158 753 1HD2 ASN 91 1HD2 ASN 91 -4.216 39.957 19.637 754 2HD2 ASN 91 2HD2 ASN 91 -3.466 38.406 19.964 755 H ARG 92 H ARG 92 -9.240 37.355 18.672 756 HA ARG 92 HA ARG 92 -7.904 34.894 17.764 757 1HB ARG 92 1HB ARG 92 -10.710 35.531 18.789 758 2HB ARG 92 2HB ARG 92 -10.191 33.901 18.321 759 1HG ARG 92 1HG ARG 92 -8.472 33.834 19.985 760 2HG ARG 92 2HG ARG 92 -8.662 35.541 20.384 761 1HD ARG 92 1HD ARG 92 -10.816 33.438 20.850 762 2HD ARG 92 2HD ARG 92 -9.630 33.989 22.056 763 HE ARG 92 HE ARG 92 -11.061 36.190 20.833 764 1HH1 ARG 92 1HH1 ARG 92 -11.096 33.888 23.546 765 2HH1 ARG 92 2HH1 ARG 92 -11.997 34.972 24.582 766 1HH2 ARG 92 1HH2 ARG 92 -12.620 37.360 22.057 767 2HH2 ARG 92 2HH2 ARG 92 -12.933 36.895 23.713 768 H GLN 93 H GLN 93 -10.296 37.101 16.534 769 HA GLN 93 HA GLN 93 -10.742 35.436 14.146 770 1HB GLN 93 1HB GLN 93 -11.803 38.178 14.924 771 2HB GLN 93 2HB GLN 93 -12.009 37.466 13.329 772 1HG GLN 93 1HG GLN 93 -13.966 36.850 14.330 773 2HG GLN 93 2HG GLN 93 -12.999 35.390 14.457 774 1HE2 GLN 93 1HE2 GLN 93 -14.542 38.042 16.191 775 2HE2 GLN 93 2HE2 GLN 93 -14.362 37.344 17.790 776 H GLY 94 H GLY 94 -8.151 37.321 15.104 777 1HA GLY 94 1HA GLY 94 -7.430 38.105 12.289 778 2HA GLY 94 2HA GLY 94 -6.726 38.762 13.766 779 H THR 95 H THR 95 -6.353 36.503 15.259 780 HA THR 95 HA THR 95 -3.931 35.361 14.280 781 HB THR 95 HB THR 95 -5.867 34.535 16.534 782 HG1 THR 95 HG1 THR 95 -4.854 36.419 16.984 783 1HG2 THR 95 1HG2 THR 95 -4.027 33.173 17.562 784 2HG2 THR 95 2HG2 THR 95 -4.567 32.472 16.048 785 3HG2 THR 95 3HG2 THR 95 -3.046 33.380 16.114 786 H LEU 96 H LEU 96 -7.232 33.990 14.562 787 HA LEU 96 HA LEU 96 -6.275 31.615 13.307 788 1HB LEU 96 1HB LEU 96 -8.502 31.687 14.455 789 2HB LEU 96 2HB LEU 96 -9.121 32.671 13.121 790 HG LEU 96 HG LEU 96 -8.417 30.684 11.499 791 1HD1 LEU 96 1HD1 LEU 96 -6.964 29.474 13.287 792 2HD1 LEU 96 2HD1 LEU 96 -8.485 29.393 14.214 793 3HD1 LEU 96 3HD1 LEU 96 -8.326 28.482 12.716 794 1HD2 LEU 96 1HD2 LEU 96 -10.646 31.110 12.073 795 2HD2 LEU 96 2HD2 LEU 96 -10.359 29.330 12.283 796 3HD2 LEU 96 3HD2 LEU 96 -10.390 30.391 13.669 797 H THR 97 H THR 97 -7.958 34.401 12.028 798 HA THR 97 HA THR 97 -8.060 33.804 9.262 799 HB THR 97 HB THR 97 -7.806 36.390 10.869 800 HG1 THR 97 HG1 THR 97 -9.891 36.393 10.613 801 1HG2 THR 97 1HG2 THR 97 -6.639 37.089 8.989 802 2HG2 THR 97 2HG2 THR 97 -7.883 36.428 7.889 803 3HG2 THR 97 3HG2 THR 97 -8.259 37.783 8.988 804 H GLU 98 H GLU 98 -5.294 34.962 11.077 805 HA GLU 98 HA GLU 98 -3.779 35.053 8.537 806 1HB GLU 98 1HB GLU 98 -3.548 36.844 10.374 807 2HB GLU 98 2HB GLU 98 -2.853 35.591 11.418 808 1HG GLU 98 1HG GLU 98 -1.009 35.292 9.781 809 2HG GLU 98 2HG GLU 98 -1.744 36.532 8.744 810 H TYR 99 H TYR 99 -4.087 33.024 11.407 811 HA TYR 99 HA TYR 99 -1.836 31.576 10.574 812 1HB TYR 99 1HB TYR 99 -3.216 31.155 12.906 813 2HB TYR 99 2HB TYR 99 -4.038 29.976 11.951 814 HD1 TYR 99 HD1 TYR 99 -0.372 30.213 10.937 815 HD2 TYR 99 HD2 TYR 99 -3.139 28.379 13.751 816 HE1 TYR 99 HE1 TYR 99 1.306 28.544 11.528 817 HE2 TYR 99 HE2 TYR 99 -1.338 26.699 14.292 818 HH TYR 99 HH TYR 99 0.612 25.957 13.789 819 H CYS 100 H CYS 100 -5.240 31.233 9.685 820 HA CYS 100 HA CYS 100 -4.832 28.734 8.371 821 1HB CYS 100 1HB CYS 100 -7.132 29.899 8.824 822 2HB CYS 100 2HB CYS 100 -6.755 30.993 7.474 823 HG CYS 100 HG CYS 100 -6.431 29.098 5.707 824 H SER 101 H SER 101 -4.500 32.068 7.195 825 HA SER 101 HA SER 101 -3.598 31.157 4.585 826 1HB SER 101 1HB SER 101 -3.163 33.795 6.112 827 2HB SER 101 2HB SER 101 -2.879 33.582 4.375 828 HG SER 101 HG SER 101 -5.127 33.025 4.209 829 H THR 102 H THR 102 -1.885 31.826 7.552 830 HA THR 102 HA THR 102 0.730 31.638 6.322 831 HB THR 102 HB THR 102 -0.107 32.015 9.230 832 HG1 THR 102 HG1 THR 102 -0.775 33.726 8.029 833 1HG2 THR 102 1HG2 THR 102 2.096 33.120 9.458 834 2HG2 THR 102 2HG2 THR 102 2.139 31.350 9.351 835 3HG2 THR 102 3HG2 THR 102 2.600 32.364 7.943 836 H LEU 103 H LEU 103 -1.254 29.408 8.073 837 HA LEU 103 HA LEU 103 0.848 27.561 8.600 838 1HB LEU 103 1HB LEU 103 -2.071 27.648 8.769 839 2HB LEU 103 2HB LEU 103 -1.860 26.317 7.931 840 HG LEU 103 HG LEU 103 -0.651 26.570 10.655 841 1HD1 LEU 103 1HD1 LEU 103 -3.262 26.923 10.438 842 2HD1 LEU 103 2HD1 LEU 103 -3.206 25.158 10.540 843 3HD1 LEU 103 3HD1 LEU 103 -2.431 26.174 11.758 844 1HD2 LEU 103 1HD2 LEU 103 -0.141 24.381 9.166 845 2HD2 LEU 103 2HD2 LEU 103 -0.720 24.181 10.817 846 3HD2 LEU 103 3HD2 LEU 103 -1.832 24.010 9.487 847 H MET 104 H MET 104 -1.153 28.300 5.757 848 HA MET 104 HA MET 104 0.146 26.214 4.068 849 1HB MET 104 1HB MET 104 -2.043 28.261 3.643 850 2HB MET 104 2HB MET 104 -1.485 27.104 2.417 851 1HG MET 104 1HG MET 104 -2.820 26.411 5.065 852 2HG MET 104 2HG MET 104 -3.532 26.384 3.454 853 1HE MET 104 1HE MET 104 -1.829 24.325 6.196 854 2HE MET 104 2HE MET 104 -0.945 23.055 5.323 855 3HE MET 104 3HE MET 104 -0.318 24.664 5.350 856 H SER 105 H SER 105 0.879 29.290 5.010 857 HA SER 105 HA SER 105 2.216 29.895 2.450 858 1HB SER 105 1HB SER 105 1.091 31.836 4.086 859 2HB SER 105 2HB SER 105 2.552 31.526 5.026 860 HG SER 105 HG SER 105 2.775 33.205 3.500 861 H LEU 106 H LEU 106 3.030 29.029 5.897 862 HA LEU 106 HA LEU 106 5.462 29.333 5.840 863 1HB LEU 106 1HB LEU 106 4.129 26.879 6.973 864 2HB LEU 106 2HB LEU 106 5.734 27.481 7.363 865 HG LEU 106 HG LEU 106 3.151 28.502 8.333 866 1HD1 LEU 106 1HD1 LEU 106 4.819 27.064 9.494 867 2HD1 LEU 106 2HD1 LEU 106 5.803 28.515 9.686 868 3HD1 LEU 106 3HD1 LEU 106 4.148 28.468 10.364 869 1HD2 LEU 106 1HD2 LEU 106 4.263 30.617 9.090 870 2HD2 LEU 106 2HD2 LEU 106 5.656 30.258 8.067 871 3HD2 LEU 106 3HD2 LEU 106 4.074 30.616 7.331 872 HA PRO 107 HA PRO 107 7.505 27.033 2.831 873 1HB PRO 107 1HB PRO 107 10.116 27.328 3.428 874 2HB PRO 107 2HB PRO 107 9.093 28.722 2.937 875 1HG PRO 107 1HG PRO 107 9.881 27.873 5.747 876 2HG PRO 107 2HG PRO 107 9.906 29.524 5.071 877 1HD PRO 107 1HD PRO 107 7.860 28.417 6.595 878 2HD PRO 107 2HD PRO 107 7.610 29.775 5.444 879 H THR 108 H THR 108 7.239 26.089 5.958 880 HA THR 108 HA THR 108 8.834 23.587 5.733 881 HB THR 108 HB THR 108 7.452 23.254 7.902 882 HG1 THR 108 HG1 THR 108 6.607 25.167 8.797 883 1HG2 THR 108 1HG2 THR 108 8.841 24.408 9.292 884 2HG2 THR 108 2HG2 THR 108 9.814 24.032 7.858 885 3HG2 THR 108 3HG2 THR 108 9.142 25.689 8.074 886 H LYS 109 H LYS 109 6.976 24.089 3.644 887 HA LYS 109 HA LYS 109 4.604 22.626 4.434 888 1HB LYS 109 1HB LYS 109 4.947 24.330 2.297 889 2HB LYS 109 2HB LYS 109 5.614 22.943 1.469 890 1HG LYS 109 1HG LYS 109 3.296 23.370 0.890 891 2HG LYS 109 2HG LYS 109 3.463 21.768 1.616 892 1HD LYS 109 1HD LYS 109 2.458 22.431 3.646 893 2HD LYS 109 2HD LYS 109 2.692 24.161 3.343 894 1HE LYS 109 1HE LYS 109 0.872 22.408 1.628 895 2HE LYS 109 2HE LYS 109 0.327 23.218 3.101 896 1HZ LYS 109 1HZ LYS 109 0.990 25.326 2.115 897 2HZ LYS 109 2HZ LYS 109 1.389 24.558 0.715 898 3HZ LYS 109 3HZ LYS 109 -0.171 24.557 1.246 899 H ILE 110 H ILE 110 7.619 21.530 3.771 900 HA ILE 110 HA ILE 110 6.683 18.790 3.164 901 HB ILE 110 HB ILE 110 9.509 19.884 3.550 902 1HG1 ILE 110 1HG1 ILE 110 7.965 19.301 0.975 903 2HG1 ILE 110 2HG1 ILE 110 8.373 20.909 1.590 904 1HG2 ILE 110 1HG2 ILE 110 8.558 17.231 2.381 905 2HG2 ILE 110 2HG2 ILE 110 10.246 17.770 2.511 906 3HG2 ILE 110 3HG2 ILE 110 9.330 17.438 3.967 907 1HD1 ILE 110 1HD1 ILE 110 10.333 18.838 0.564 908 2HD1 ILE 110 2HD1 ILE 110 9.935 20.419 -0.115 909 3HD1 ILE 110 3HD1 ILE 110 10.806 20.324 1.427 910 H SER 111 H SER 111 8.005 20.712 5.819 911 HA SER 111 HA SER 111 8.319 18.418 7.548 912 1HB SER 111 1HB SER 111 8.296 21.305 8.439 913 2HB SER 111 2HB SER 111 9.137 19.933 9.156 914 HG SER 111 HG SER 111 10.409 19.857 7.218 915 H ARG 112 H ARG 112 6.074 21.086 7.209 916 HA ARG 112 HA ARG 112 4.369 20.301 9.417 917 1HB ARG 112 1HB ARG 112 4.094 22.376 7.184 918 2HB ARG 112 2HB ARG 112 2.805 22.015 8.320 919 1HG ARG 112 1HG ARG 112 4.254 22.468 10.221 920 2HG ARG 112 2HG ARG 112 5.551 22.993 9.130 921 1HD ARG 112 1HD ARG 112 4.192 24.790 8.272 922 2HD ARG 112 2HD ARG 112 2.718 24.085 8.945 923 HE ARG 112 HE ARG 112 4.977 24.980 10.671 924 1HH1 ARG 112 1HH1 ARG 112 1.542 25.363 9.771 925 2HH1 ARG 112 2HH1 ARG 112 1.179 26.214 11.254 926 1HH2 ARG 112 1HH2 ARG 112 4.479 26.319 12.401 927 2HH2 ARG 112 2HH2 ARG 112 2.792 26.733 12.727 928 H CYS 113 H CYS 113 4.473 19.318 6.110 929 HA CYS 113 HA CYS 113 1.863 19.027 5.455 930 1HB CYS 113 1HB CYS 113 4.112 18.098 4.300 931 2HB CYS 113 2HB CYS 113 3.454 16.557 4.846 932 HG CYS 113 HG CYS 113 1.104 16.846 3.848 933 HA PRO 114 HA PRO 114 0.938 15.108 7.943 934 1HB PRO 114 1HB PRO 114 2.668 14.155 9.882 935 2HB PRO 114 2HB PRO 114 2.804 13.670 8.166 936 1HG PRO 114 1HG PRO 114 4.308 15.908 9.572 937 2HG PRO 114 2HG PRO 114 5.005 14.584 8.591 938 1HD PRO 114 1HD PRO 114 4.553 16.994 7.491 939 2HD PRO 114 2HD PRO 114 4.150 15.511 6.587 940 H HIS 115 H HIS 115 2.509 17.783 9.551 941 HA HIS 115 HA HIS 115 0.895 17.417 11.884 942 1HB HIS 115 1HB HIS 115 3.058 18.881 11.549 943 2HB HIS 115 2HB HIS 115 1.903 20.163 11.196 944 HD1 HIS 115 HD1 HIS 115 1.461 17.411 13.861 945 HD2 HIS 115 HD2 HIS 115 2.216 21.541 13.674 946 HE1 HIS 115 HE1 HIS 115 1.343 18.329 16.226 947 H LEU 116 H LEU 116 0.481 19.682 9.021 948 HA LEU 116 HA LEU 116 -1.842 20.491 9.874 949 1HB LEU 116 1HB LEU 116 -0.590 21.325 7.761 950 2HB LEU 116 2HB LEU 116 -1.418 20.057 6.861 951 HG LEU 116 HG LEU 116 -2.361 22.636 7.920 952 1HD1 LEU 116 1HD1 LEU 116 -3.838 20.688 5.951 953 2HD1 LEU 116 2HD1 LEU 116 -4.056 22.420 5.970 954 3HD1 LEU 116 3HD1 LEU 116 -2.582 21.714 5.309 955 1HD2 LEU 116 1HD2 LEU 116 -4.434 20.593 8.114 956 2HD2 LEU 116 2HD2 LEU 116 -3.580 21.464 9.432 957 3HD2 LEU 116 3HD2 LEU 116 -4.519 22.357 8.284 958 H LEU 117 H LEU 117 -1.223 17.734 7.719 959 HA LEU 117 HA LEU 117 -3.907 16.759 7.448 960 1HB LEU 117 1HB LEU 117 -1.238 15.378 7.344 961 2HB LEU 117 2HB LEU 117 -2.799 14.575 7.155 962 HG LEU 117 HG LEU 117 -3.283 16.308 5.162 963 1HD1 LEU 117 1HD1 LEU 117 -1.502 17.216 4.009 964 2HD1 LEU 117 2HD1 LEU 117 -1.411 17.894 5.633 965 3HD1 LEU 117 3HD1 LEU 117 -0.326 16.547 5.140 966 1HD2 LEU 117 1HD2 LEU 117 -2.791 13.911 5.081 967 2HD2 LEU 117 2HD2 LEU 117 -2.352 14.943 3.709 968 3HD2 LEU 117 3HD2 LEU 117 -1.072 14.377 4.851 969 H ASP 118 H ASP 118 -1.656 16.323 10.121 970 HA ASP 118 HA ASP 118 -3.645 14.705 11.553 971 1HB ASP 118 1HB ASP 118 -1.040 16.194 12.266 972 2HB ASP 118 2HB ASP 118 -1.986 15.494 13.539 973 H PHE 119 H PHE 119 -3.626 17.960 10.873 974 HA PHE 119 HA PHE 119 -4.862 19.001 13.349 975 1HB PHE 119 1HB PHE 119 -3.298 20.053 11.256 976 2HB PHE 119 2HB PHE 119 -4.913 20.427 10.663 977 HD1 PHE 119 HD1 PHE 119 -2.203 22.391 11.162 978 HD2 PHE 119 HD2 PHE 119 -5.791 21.399 13.368 979 HE1 PHE 119 HE1 PHE 119 -2.076 24.364 12.429 980 HE2 PHE 119 HE2 PHE 119 -5.622 23.540 14.636 981 HZ PHE 119 HZ PHE 119 -3.705 25.038 14.141 982 H PHE 120 H PHE 120 -5.479 17.993 10.144 983 HA PHE 120 HA PHE 120 -8.427 18.407 10.285 984 1HB PHE 120 1HB PHE 120 -6.278 17.650 8.155 985 2HB PHE 120 2HB PHE 120 -7.992 17.817 7.792 986 HD1 PHE 120 HD1 PHE 120 -6.447 19.226 6.119 987 HD2 PHE 120 HD2 PHE 120 -7.516 20.396 10.114 988 HE1 PHE 120 HE1 PHE 120 -6.339 21.613 5.454 989 HE2 PHE 120 HE2 PHE 120 -7.399 22.762 9.465 990 HZ PHE 120 HZ PHE 120 -6.837 23.371 7.155 991 H LYS 121 H LYS 121 -6.254 15.652 9.724 992 HA LYS 121 HA LYS 121 -8.472 13.953 9.134 993 1HB LYS 121 1HB LYS 121 -7.219 12.245 8.682 994 2HB LYS 121 2HB LYS 121 -6.222 13.616 8.199 995 1HG LYS 121 1HG LYS 121 -4.836 13.312 10.194 996 2HG LYS 121 2HG LYS 121 -5.929 12.040 10.790 997 1HD LYS 121 1HD LYS 121 -5.463 10.611 8.917 998 2HD LYS 121 2HD LYS 121 -4.556 11.863 8.066 999 1HE LYS 121 1HE LYS 121 -3.619 10.787 10.759 1000 2HE LYS 121 2HE LYS 121 -3.275 9.954 9.232 1001 1HZ LYS 121 1HZ LYS 121 -1.484 11.335 9.692 1002 2HZ LYS 121 2HZ LYS 121 -2.285 11.996 8.417 1003 3HZ LYS 121 3HZ LYS 121 -2.389 12.653 9.961 1004 H VAL 122 H VAL 122 -6.967 15.065 11.999 1005 HA VAL 122 HA VAL 122 -8.153 13.003 13.712 1006 HB VAL 122 HB VAL 122 -6.428 15.381 14.447 1007 1HG1 VAL 122 1HG1 VAL 122 -6.001 14.054 16.498 1008 2HG1 VAL 122 2HG1 VAL 122 -7.715 14.468 16.347 1009 3HG1 VAL 122 3HG1 VAL 122 -7.160 12.827 15.949 1010 1HG2 VAL 122 1HG2 VAL 122 -4.610 13.618 14.481 1011 2HG2 VAL 122 2HG2 VAL 122 -5.775 12.465 13.778 1012 3HG2 VAL 122 3HG2 VAL 122 -5.254 13.879 12.862 1013 H ARG 123 H ARG 123 -8.371 16.601 13.280 1014 HA ARG 123 HA ARG 123 -10.182 18.007 13.724 1015 1HB ARG 123 1HB ARG 123 -11.965 15.564 13.769 1016 2HB ARG 123 2HB ARG 123 -12.353 17.252 13.381 1017 1HG ARG 123 1HG ARG 123 -11.139 17.031 11.291 1018 2HG ARG 123 2HG ARG 123 -10.655 15.357 11.733 1019 1HD ARG 123 1HD ARG 123 -12.982 14.669 11.896 1020 2HD ARG 123 2HD ARG 123 -13.519 16.298 11.422 1021 HE ARG 123 HE ARG 123 -11.741 15.300 9.449 1022 1HH1 ARG 123 1HH1 ARG 123 -14.985 14.658 10.783 1023 2HH1 ARG 123 2HH1 ARG 123 -15.621 14.016 9.296 1024 1HH2 ARG 123 1HH2 ARG 123 -12.593 14.421 7.481 1025 2HH2 ARG 123 2HH2 ARG 123 -14.241 13.849 7.416 1026 HA PRO 124 HA PRO 124 -10.411 16.648 18.050 1027 1HB PRO 124 1HB PRO 124 -8.694 18.339 19.409 1028 2HB PRO 124 2HB PRO 124 -8.066 17.010 18.404 1029 1HG PRO 124 1HG PRO 124 -8.502 19.883 17.524 1030 2HG PRO 124 2HG PRO 124 -6.986 18.942 17.416 1031 1HD PRO 124 1HD PRO 124 -8.744 19.123 15.318 1032 2HD PRO 124 2HD PRO 124 -7.844 17.614 15.651 1033 H ASP 125 H ASP 125 -12.155 18.159 16.627 1034 HA ASP 125 HA ASP 125 -13.690 19.136 18.769 1035 1HB ASP 125 1HB ASP 125 -12.258 21.167 18.145 1036 2HB ASP 125 2HB ASP 125 -13.139 21.215 16.629 1037 H ASP 126 H ASP 126 -13.509 17.314 16.191 1038 HA ASP 126 HA ASP 126 -16.300 17.708 15.266 1039 1HB ASP 126 1HB ASP 126 -14.581 17.349 13.474 1040 2HB ASP 126 2HB ASP 126 -14.052 15.883 14.309 1041 H LEU 127 H LEU 127 -13.823 15.332 16.500 1042 HA LEU 127 HA LEU 127 -15.945 13.864 17.963 1043 1HB LEU 127 1HB LEU 127 -13.785 12.881 15.995 1044 2HB LEU 127 2HB LEU 127 -14.521 11.710 17.005 1045 HG LEU 127 HG LEU 127 -16.378 13.329 15.073 1046 1HD1 LEU 127 1HD1 LEU 127 -16.434 11.290 13.821 1047 2HD1 LEU 127 2HD1 LEU 127 -14.769 11.907 13.873 1048 3HD1 LEU 127 3HD1 LEU 127 -15.243 10.524 14.898 1049 1HD2 LEU 127 1HD2 LEU 127 -17.942 11.561 15.658 1050 2HD2 LEU 127 2HD2 LEU 127 -16.799 10.865 16.820 1051 3HD2 LEU 127 3HD2 LEU 127 -17.509 12.469 17.108 1052 H LYS 128 H LYS 128 -13.352 15.637 18.443 1053 HA LYS 128 HA LYS 128 -12.600 14.157 20.831 1054 1HB LYS 128 1HB LYS 128 -10.842 14.513 18.450 1055 2HB LYS 128 2HB LYS 128 -10.192 15.472 19.759 1056 1HG LYS 128 1HG LYS 128 -9.084 13.486 19.936 1057 2HG LYS 128 2HG LYS 128 -10.268 13.455 21.253 1058 1HD LYS 128 1HD LYS 128 -11.685 11.901 19.933 1059 2HD LYS 128 2HD LYS 128 -10.633 12.103 18.524 1060 1HE LYS 128 1HE LYS 128 -10.174 9.979 19.594 1061 2HE LYS 128 2HE LYS 128 -8.764 11.039 19.751 1062 1HZ LYS 128 1HZ LYS 128 -10.786 10.560 21.840 1063 2HZ LYS 128 2HZ LYS 128 -9.287 9.881 21.783 1064 3HZ LYS 128 3HZ LYS 128 -9.445 11.506 21.996 1065 H LEU 129 H LEU 129 -14.394 15.928 20.495 1066 HA LEU 129 HA LEU 129 -13.966 18.657 20.915 1067 1HB LEU 129 1HB LEU 129 -16.085 16.630 21.827 1068 2HB LEU 129 2HB LEU 129 -16.425 18.314 21.928 1069 HG LEU 129 HG LEU 129 -15.787 17.257 19.068 1070 1HD1 LEU 129 1HD1 LEU 129 -18.311 16.804 20.677 1071 2HD1 LEU 129 2HD1 LEU 129 -18.095 16.551 18.925 1072 3HD1 LEU 129 3HD1 LEU 129 -17.186 15.552 20.083 1073 1HD2 LEU 129 1HD2 LEU 129 -16.260 19.663 19.471 1074 2HD2 LEU 129 2HD2 LEU 129 -17.533 18.848 18.537 1075 3HD2 LEU 129 3HD2 LEU 129 -17.801 19.231 20.240 1076 HA PRO 130 HA PRO 130 -12.888 19.170 25.128 1077 1HB PRO 130 1HB PRO 130 -15.351 20.602 25.981 1078 2HB PRO 130 2HB PRO 130 -13.666 21.175 26.002 1079 1HG PRO 130 1HG PRO 130 -15.443 22.124 24.151 1080 2HG PRO 130 2HG PRO 130 -13.752 21.759 23.712 1081 1HD PRO 130 1HD PRO 130 -16.187 20.013 23.390 1082 2HD PRO 130 2HD PRO 130 -14.992 20.451 22.136 Start of MODEL 5 1 1H GLY 1 1H GLY 1 -1.842 1.068 4.452 2 2H GLY 1 2H GLY 1 -2.810 2.382 4.295 3 3H GLY 1 3H GLY 1 -3.486 0.885 4.513 4 1HA GLY 1 1HA GLY 1 -2.584 0.165 2.394 5 2HA GLY 1 2HA GLY 1 -3.709 1.532 2.234 6 H SER 2 H SER 2 -1.793 1.000 0.238 7 HA SER 2 HA SER 2 0.670 2.135 0.326 8 1HB SER 2 1HB SER 2 -1.255 2.388 -2.016 9 2HB SER 2 2HB SER 2 0.517 2.284 -2.069 10 HG SER 2 HG SER 2 -0.459 0.260 -2.479 11 H MET 3 H MET 3 -2.342 3.824 -0.304 12 HA MET 3 HA MET 3 -0.992 6.468 0.103 13 1HB MET 3 1HB MET 3 -2.019 5.883 -2.222 14 2HB MET 3 2HB MET 3 -3.577 6.006 -1.407 15 1HG MET 3 1HG MET 3 -3.448 8.170 -2.043 16 2HG MET 3 2HG MET 3 -2.430 8.381 -0.623 17 1HE MET 3 1HE MET 3 0.329 6.870 -1.769 18 2HE MET 3 2HE MET 3 1.170 8.338 -2.300 19 3HE MET 3 3HE MET 3 0.279 8.343 -0.762 20 H GLY 4 H GLY 4 -1.847 4.748 2.263 21 1HA GLY 4 1HA GLY 4 -4.412 5.793 3.264 22 2HA GLY 4 2HA GLY 4 -3.274 4.712 4.103 23 H ASP 5 H ASP 5 -3.196 7.977 2.704 24 HA ASP 5 HA ASP 5 -2.969 9.274 5.198 25 1HB ASP 5 1HB ASP 5 -0.492 8.312 4.923 26 2HB ASP 5 2HB ASP 5 -0.362 9.235 3.442 27 H THR 6 H THR 6 -2.061 9.403 1.810 28 HA THR 6 HA THR 6 -2.090 10.929 0.152 29 HB THR 6 HB THR 6 -4.386 9.884 0.297 30 HG1 THR 6 HG1 THR 6 -5.004 11.028 -1.405 31 1HG2 THR 6 1HG2 THR 6 -5.107 11.238 2.190 32 2HG2 THR 6 2HG2 THR 6 -4.961 12.730 1.238 33 3HG2 THR 6 3HG2 THR 6 -6.110 11.486 0.727 34 H PHE 7 H PHE 7 -3.410 13.333 -0.280 35 HA PHE 7 HA PHE 7 -2.124 15.114 1.714 36 1HB PHE 7 1HB PHE 7 -1.524 15.282 -1.216 37 2HB PHE 7 2HB PHE 7 -0.683 16.060 0.088 38 HD1 PHE 7 HD1 PHE 7 -1.015 12.774 -1.799 39 HD2 PHE 7 HD2 PHE 7 0.622 14.410 1.907 40 HE1 PHE 7 HE1 PHE 7 0.381 10.843 -1.517 41 HE2 PHE 7 HE2 PHE 7 1.986 12.443 2.129 42 HZ PHE 7 HZ PHE 7 1.908 10.633 0.433 43 H ILE 8 H ILE 8 -2.176 17.448 1.035 44 HA ILE 8 HA ILE 8 -5.047 17.973 0.823 45 HB ILE 8 HB ILE 8 -2.823 19.325 2.368 46 1HG1 ILE 8 1HG1 ILE 8 -5.604 18.131 2.943 47 2HG1 ILE 8 2HG1 ILE 8 -4.068 17.279 3.163 48 1HG2 ILE 8 1HG2 ILE 8 -4.036 21.215 1.398 49 2HG2 ILE 8 2HG2 ILE 8 -5.562 20.554 2.076 50 3HG2 ILE 8 3HG2 ILE 8 -4.218 21.071 3.114 51 1HD1 ILE 8 1HD1 ILE 8 -5.057 19.741 4.547 52 2HD1 ILE 8 2HD1 ILE 8 -4.791 18.133 5.261 53 3HD1 ILE 8 3HD1 ILE 8 -3.389 19.120 4.737 54 H ARG 9 H ARG 9 -5.802 20.053 0.142 55 HA ARG 9 HA ARG 9 -4.441 20.955 -2.345 56 1HB ARG 9 1HB ARG 9 -6.973 19.755 -2.208 57 2HB ARG 9 2HB ARG 9 -7.455 21.409 -1.958 58 1HG ARG 9 1HG ARG 9 -5.774 20.394 -4.305 59 2HG ARG 9 2HG ARG 9 -7.521 20.624 -4.308 60 1HD ARG 9 1HD ARG 9 -6.583 22.533 -5.411 61 2HD ARG 9 2HD ARG 9 -7.205 23.058 -3.848 62 HE ARG 9 HE ARG 9 -5.086 23.557 -3.117 63 1HH1 ARG 9 1HH1 ARG 9 -4.737 21.769 -6.164 64 2HH1 ARG 9 2HH1 ARG 9 -2.998 21.873 -6.155 65 1HH2 ARG 9 1HH2 ARG 9 -2.883 23.568 -3.035 66 2HH2 ARG 9 2HH2 ARG 9 -1.915 22.982 -4.368 67 H HIS 10 H HIS 10 -6.820 22.028 0.130 68 HA HIS 10 HA HIS 10 -5.199 24.086 1.157 69 1HB HIS 10 1HB HIS 10 -5.840 25.980 -0.108 70 2HB HIS 10 2HB HIS 10 -6.063 24.861 -1.410 71 HD1 HIS 10 HD1 HIS 10 -8.730 23.585 -0.840 72 HD2 HIS 10 HD2 HIS 10 -8.072 27.688 -0.381 73 HE1 HIS 10 HE1 HIS 10 -11.001 24.768 -0.996 74 H ILE 11 H ILE 11 -6.595 25.936 2.150 75 HA ILE 11 HA ILE 11 -8.730 24.679 3.670 76 HB ILE 11 HB ILE 11 -7.171 27.030 4.660 77 1HG1 ILE 11 1HG1 ILE 11 -6.190 24.168 4.931 78 2HG1 ILE 11 2HG1 ILE 11 -5.409 25.458 4.021 79 1HG2 ILE 11 1HG2 ILE 11 -8.559 24.645 5.998 80 2HG2 ILE 11 2HG2 ILE 11 -7.801 26.036 6.816 81 3HG2 ILE 11 3HG2 ILE 11 -9.232 26.267 5.852 82 1HD1 ILE 11 1HD1 ILE 11 -4.265 25.251 6.103 83 2HD1 ILE 11 2HD1 ILE 11 -5.104 26.810 6.045 84 3HD1 ILE 11 3HD1 ILE 11 -5.730 25.485 7.043 85 H ALA 12 H ALA 12 -10.592 26.030 4.269 86 HA ALA 12 HA ALA 12 -10.916 28.707 3.160 87 1HB ALA 12 1HB ALA 12 -11.821 27.243 1.365 88 2HB ALA 12 2HB ALA 12 -12.725 26.300 2.559 89 3HB ALA 12 3HB ALA 12 -13.160 27.992 2.256 90 H LEU 13 H LEU 13 -13.059 29.525 4.328 91 HA LEU 13 HA LEU 13 -13.513 27.939 6.674 92 1HB LEU 13 1HB LEU 13 -11.708 29.699 6.955 93 2HB LEU 13 2HB LEU 13 -12.907 30.954 6.886 94 HG LEU 13 HG LEU 13 -12.686 28.781 9.174 95 1HD1 LEU 13 1HD1 LEU 13 -10.579 29.952 8.766 96 2HD1 LEU 13 2HD1 LEU 13 -11.427 31.501 8.978 97 3HD1 LEU 13 3HD1 LEU 13 -11.397 30.304 10.289 98 1HD2 LEU 13 1HD2 LEU 13 -14.805 30.106 9.360 99 2HD2 LEU 13 2HD2 LEU 13 -13.650 30.294 10.663 100 3HD2 LEU 13 3HD2 LEU 13 -13.801 31.576 9.468 101 H LEU 14 H LEU 14 -15.467 28.045 7.682 102 HA LEU 14 HA LEU 14 -17.498 29.148 5.781 103 1HB LEU 14 1HB LEU 14 -17.316 26.686 7.404 104 2HB LEU 14 2HB LEU 14 -18.533 27.605 8.140 105 HG LEU 14 HG LEU 14 -19.603 27.907 5.805 106 1HD1 LEU 14 1HD1 LEU 14 -17.080 26.656 4.941 107 2HD1 LEU 14 2HD1 LEU 14 -18.479 25.765 4.323 108 3HD1 LEU 14 3HD1 LEU 14 -18.291 27.478 3.981 109 1HD2 LEU 14 1HD2 LEU 14 -19.212 25.082 6.852 110 2HD2 LEU 14 2HD2 LEU 14 -20.451 26.250 7.328 111 3HD2 LEU 14 3HD2 LEU 14 -20.460 25.580 5.688 112 H GLY 15 H GLY 15 -16.745 29.151 9.213 113 1HA GLY 15 1HA GLY 15 -17.020 31.960 9.414 114 2HA GLY 15 2HA GLY 15 -18.679 31.375 9.573 115 H PHE 16 H PHE 16 -19.305 31.568 11.593 116 HA PHE 16 HA PHE 16 -17.407 31.443 13.694 117 1HB PHE 16 1HB PHE 16 -19.610 32.941 13.221 118 2HB PHE 16 2HB PHE 16 -20.418 31.686 14.064 119 HD1 PHE 16 HD1 PHE 16 -17.207 31.830 15.809 120 HD2 PHE 16 HD2 PHE 16 -20.816 34.225 15.282 121 HE1 PHE 16 HE1 PHE 16 -16.750 33.013 17.835 122 HE2 PHE 16 HE2 PHE 16 -20.295 35.386 17.346 123 HZ PHE 16 HZ PHE 16 -18.267 34.806 18.652 124 H GLU 17 H GLU 17 -19.075 30.291 15.729 125 HA GLU 17 HA GLU 17 -20.627 28.127 15.223 126 1HB GLU 17 1HB GLU 17 -18.837 26.866 14.249 127 2HB GLU 17 2HB GLU 17 -17.772 27.209 15.600 128 1HG GLU 17 1HG GLU 17 -18.727 24.890 15.523 129 2HG GLU 17 2HG GLU 17 -19.130 25.721 17.019 130 H LYS 18 H LYS 18 -21.231 26.991 17.274 131 HA LYS 18 HA LYS 18 -20.676 28.563 19.674 132 1HB LYS 18 1HB LYS 18 -23.025 28.106 20.166 133 2HB LYS 18 2HB LYS 18 -22.693 29.264 18.885 134 1HG LYS 18 1HG LYS 18 -23.285 26.409 18.100 135 2HG LYS 18 2HG LYS 18 -24.598 27.458 18.614 136 1HD LYS 18 1HD LYS 18 -24.228 29.053 16.909 137 2HD LYS 18 2HD LYS 18 -22.732 28.309 16.362 138 1HE LYS 18 1HE LYS 18 -25.432 26.904 16.291 139 2HE LYS 18 2HE LYS 18 -24.761 27.820 14.933 140 1HZ LYS 18 1HZ LYS 18 -22.954 26.292 14.781 141 2HZ LYS 18 2HZ LYS 18 -23.347 25.540 16.149 142 3HZ LYS 18 3HZ LYS 18 -24.343 25.417 14.836 143 H ARG 19 H ARG 19 -19.200 27.019 20.615 144 HA ARG 19 HA ARG 19 -20.336 24.403 21.473 145 1HB ARG 19 1HB ARG 19 -17.705 25.149 20.361 146 2HB ARG 19 2HB ARG 19 -17.540 24.612 22.028 147 1HG ARG 19 1HG ARG 19 -17.232 22.670 20.908 148 2HG ARG 19 2HG ARG 19 -18.937 22.538 21.331 149 1HD ARG 19 1HD ARG 19 -17.750 23.426 18.649 150 2HD ARG 19 2HD ARG 19 -18.379 21.831 18.975 151 HE ARG 19 HE ARG 19 -19.869 24.255 18.339 152 1HH1 ARG 19 1HH1 ARG 19 -20.133 21.119 19.957 153 2HH1 ARG 19 2HH1 ARG 19 -21.828 20.928 19.604 154 1HH2 ARG 19 1HH2 ARG 19 -22.032 24.001 17.834 155 2HH2 ARG 19 2HH2 ARG 19 -22.966 22.638 18.430 156 H PHE 20 H PHE 20 -21.430 24.907 23.305 157 HA PHE 20 HA PHE 20 -20.444 27.023 24.931 158 1HB PHE 20 1HB PHE 20 -22.613 24.906 25.550 159 2HB PHE 20 2HB PHE 20 -22.805 26.521 26.053 160 HD1 PHE 20 HD1 PHE 20 -23.560 24.046 23.226 161 HD2 PHE 20 HD2 PHE 20 -23.364 28.379 23.948 162 HE1 PHE 20 HE1 PHE 20 -24.869 24.479 21.317 163 HE2 PHE 20 HE2 PHE 20 -24.690 28.705 22.013 164 HZ PHE 20 HZ PHE 20 -25.483 26.784 20.656 165 H VAL 21 H VAL 21 -20.005 23.643 24.713 166 HA VAL 21 HA VAL 21 -19.250 23.438 27.470 167 HB VAL 21 HB VAL 21 -20.177 20.813 26.625 168 1HG1 VAL 21 1HG1 VAL 21 -22.270 21.426 27.789 169 2HG1 VAL 21 2HG1 VAL 21 -20.908 22.146 28.687 170 3HG1 VAL 21 3HG1 VAL 21 -21.895 23.155 27.605 171 1HG2 VAL 21 1HG2 VAL 21 -20.641 21.608 24.491 172 2HG2 VAL 21 2HG2 VAL 21 -21.967 20.847 25.407 173 3HG2 VAL 21 3HG2 VAL 21 -21.963 22.613 25.191 174 HA PRO 22 HA PRO 22 -18.508 21.114 28.425 175 1HB PRO 22 1HB PRO 22 -16.255 20.367 29.713 176 2HB PRO 22 2HB PRO 22 -16.976 19.374 28.412 177 1HG PRO 22 1HG PRO 22 -14.732 21.394 28.152 178 2HG PRO 22 2HG PRO 22 -14.754 19.696 27.593 179 1HD PRO 22 1HD PRO 22 -15.380 21.821 25.969 180 2HD PRO 22 2HD PRO 22 -16.201 20.240 25.773 181 H SER 23 H SER 23 -16.564 23.630 27.458 182 HA SER 23 HA SER 23 -16.961 25.150 29.915 183 1HB SER 23 1HB SER 23 -14.417 25.029 28.093 184 2HB SER 23 2HB SER 23 -14.613 26.271 29.315 185 HG SER 23 HG SER 23 -13.431 24.442 30.051 186 H GLN 24 H GLN 24 -17.087 27.593 29.425 187 HA GLN 24 HA GLN 24 -18.744 27.911 27.157 188 1HB GLN 24 1HB GLN 24 -17.736 30.168 28.836 189 2HB GLN 24 2HB GLN 24 -19.228 29.946 27.965 190 1HG GLN 24 1HG GLN 24 -18.599 28.272 30.583 191 2HG GLN 24 2HG GLN 24 -19.787 29.523 30.511 192 1HE2 GLN 24 1HE2 GLN 24 -21.282 29.121 28.283 193 2HE2 GLN 24 2HE2 GLN 24 -21.962 27.503 28.340 194 H HIS 25 H HIS 25 -17.744 28.280 24.996 195 HA HIS 25 HA HIS 25 -16.079 30.533 24.736 196 1HB HIS 25 1HB HIS 25 -14.377 28.729 23.554 197 2HB HIS 25 2HB HIS 25 -14.143 29.193 25.267 198 HD1 HIS 25 HD1 HIS 25 -16.516 26.626 23.625 199 HD2 HIS 25 HD2 HIS 25 -13.127 26.750 26.085 200 HE1 HIS 25 HE1 HIS 25 -16.024 24.258 24.321 201 H TYR 26 H TYR 26 -16.948 31.321 22.612 202 HA TYR 26 HA TYR 26 -18.084 29.268 20.919 203 1HB TYR 26 1HB TYR 26 -17.628 32.250 20.606 204 2HB TYR 26 2HB TYR 26 -17.877 31.305 19.188 205 HD1 TYR 26 HD1 TYR 26 -19.789 30.674 22.520 206 HD2 TYR 26 HD2 TYR 26 -20.206 32.092 18.390 207 HE1 TYR 26 HE1 TYR 26 -22.151 30.752 22.735 208 HE2 TYR 26 HE2 TYR 26 -22.552 32.143 18.693 209 HH TYR 26 HH TYR 26 -24.335 31.793 20.107 210 H VAL 27 H VAL 27 -17.385 28.813 18.679 211 HA VAL 27 HA VAL 27 -14.409 28.893 18.346 212 HB VAL 27 HB VAL 27 -14.367 26.541 17.990 213 1HG1 VAL 27 1HG1 VAL 27 -14.427 27.235 20.389 214 2HG1 VAL 27 2HG1 VAL 27 -16.167 26.879 20.401 215 3HG1 VAL 27 3HG1 VAL 27 -15.013 25.585 20.093 216 1HG2 VAL 27 1HG2 VAL 27 -16.318 26.103 16.729 217 2HG2 VAL 27 2HG2 VAL 27 -16.329 25.081 18.157 218 3HG2 VAL 27 3HG2 VAL 27 -17.372 26.525 18.118 219 H TYR 28 H TYR 28 -13.956 27.977 15.884 220 HA TYR 28 HA TYR 28 -15.894 29.351 14.268 221 1HB TYR 28 1HB TYR 28 -13.585 29.346 12.750 222 2HB TYR 28 2HB TYR 28 -14.303 30.667 13.690 223 HD1 TYR 28 HD1 TYR 28 -12.193 27.734 14.488 224 HD2 TYR 28 HD2 TYR 28 -12.719 31.970 14.720 225 HE1 TYR 28 HE1 TYR 28 -10.147 27.898 15.942 226 HE2 TYR 28 HE2 TYR 28 -10.619 32.140 16.157 227 HH TYR 28 HH TYR 28 -8.915 31.067 17.085 228 H MET 29 H MET 29 -16.742 28.454 12.470 229 HA MET 29 HA MET 29 -16.308 25.647 12.196 230 1HB MET 29 1HB MET 29 -18.511 26.510 11.972 231 2HB MET 29 2HB MET 29 -18.086 27.528 10.573 232 1HG MET 29 1HG MET 29 -19.207 25.476 9.835 233 2HG MET 29 2HG MET 29 -17.509 25.430 9.355 234 1HE MET 29 1HE MET 29 -16.825 23.216 9.084 235 2HE MET 29 2HE MET 29 -17.543 21.810 9.909 236 3HE MET 29 3HE MET 29 -18.576 22.911 8.938 237 H PHE 30 H PHE 30 -14.606 24.721 10.825 238 HA PHE 30 HA PHE 30 -13.297 26.510 9.068 239 1HB PHE 30 1HB PHE 30 -12.546 25.026 11.389 240 2HB PHE 30 2HB PHE 30 -12.284 23.905 10.104 241 HD1 PHE 30 HD1 PHE 30 -11.489 27.767 10.711 242 HD2 PHE 30 HD2 PHE 30 -9.990 23.946 9.250 243 HE1 PHE 30 HE1 PHE 30 -9.318 28.731 10.162 244 HE2 PHE 30 HE2 PHE 30 -7.856 25.010 8.761 245 HZ PHE 30 HZ PHE 30 -7.515 27.404 9.210 246 H LEU 31 H LEU 31 -12.770 25.670 6.817 247 HA LEU 31 HA LEU 31 -13.972 23.138 6.234 248 1HB LEU 31 1HB LEU 31 -14.417 25.835 5.178 249 2HB LEU 31 2HB LEU 31 -13.804 24.809 3.892 250 HG LEU 31 HG LEU 31 -16.212 24.854 3.920 251 1HD1 LEU 31 1HD1 LEU 31 -14.925 22.919 3.130 252 2HD1 LEU 31 2HD1 LEU 31 -15.142 22.137 4.709 253 3HD1 LEU 31 3HD1 LEU 31 -16.563 22.503 3.704 254 1HD2 LEU 31 1HD2 LEU 31 -17.587 24.065 5.700 255 2HD2 LEU 31 2HD2 LEU 31 -16.237 23.348 6.583 256 3HD2 LEU 31 3HD2 LEU 31 -16.377 25.095 6.486 257 H VAL 32 H VAL 32 -12.767 21.498 5.260 258 HA VAL 32 HA VAL 32 -10.195 22.418 4.144 259 HB VAL 32 HB VAL 32 -9.527 21.366 5.924 260 1HG1 VAL 32 1HG1 VAL 32 -10.274 19.249 6.833 261 2HG1 VAL 32 2HG1 VAL 32 -11.593 20.421 6.752 262 3HG1 VAL 32 3HG1 VAL 32 -11.492 19.112 5.539 263 1HG2 VAL 32 1HG2 VAL 32 -9.547 19.261 3.720 264 2HG2 VAL 32 2HG2 VAL 32 -8.318 20.506 4.008 265 3HG2 VAL 32 3HG2 VAL 32 -8.556 19.164 5.155 266 H LYS 33 H LYS 33 -9.596 21.763 2.058 267 HA LYS 33 HA LYS 33 -11.625 20.108 0.697 268 1HB LYS 33 1HB LYS 33 -11.524 22.504 -0.019 269 2HB LYS 33 2HB LYS 33 -9.924 22.124 -0.697 270 1HG LYS 33 1HG LYS 33 -10.934 20.355 -2.119 271 2HG LYS 33 2HG LYS 33 -12.496 20.617 -1.335 272 1HD LYS 33 1HD LYS 33 -12.679 21.697 -3.395 273 2HD LYS 33 2HD LYS 33 -12.489 22.984 -2.196 274 1HE LYS 33 1HE LYS 33 -10.028 23.099 -2.829 275 2HE LYS 33 2HE LYS 33 -10.330 21.862 -4.058 276 1HZ LYS 33 1HZ LYS 33 -11.870 23.377 -5.100 277 2HZ LYS 33 2HZ LYS 33 -11.585 24.522 -3.950 278 3HZ LYS 33 3HZ LYS 33 -10.381 24.063 -4.972 279 H TRP 34 H TRP 34 -10.774 17.966 0.369 280 HA TRP 34 HA TRP 34 -7.860 17.844 0.237 281 1HB TRP 34 1HB TRP 34 -9.936 15.664 0.464 282 2HB TRP 34 2HB TRP 34 -8.214 15.421 0.349 283 HD1 TRP 34 HD1 TRP 34 -10.622 17.174 2.783 284 HE1 TRP 34 HE1 TRP 34 -9.697 16.838 5.187 285 HE3 TRP 34 HE3 TRP 34 -6.323 14.712 1.646 286 HZ2 TRP 34 HZ2 TRP 34 -7.369 15.633 6.422 287 HZ3 TRP 34 HZ3 TRP 34 -4.771 13.977 3.427 288 HH2 TRP 34 HH2 TRP 34 -5.306 14.398 5.809 289 H GLN 35 H GLN 35 -6.827 16.636 -1.539 290 HA GLN 35 HA GLN 35 -8.298 16.961 -4.093 291 1HB GLN 35 1HB GLN 35 -5.801 16.564 -5.064 292 2HB GLN 35 2HB GLN 35 -5.900 17.966 -4.028 293 1HG GLN 35 1HG GLN 35 -3.956 16.809 -3.547 294 2HG GLN 35 2HG GLN 35 -4.995 16.682 -2.144 295 1HE2 GLN 35 1HE2 GLN 35 -5.091 14.634 -1.268 296 2HE2 GLN 35 2HE2 GLN 35 -4.710 13.151 -2.124 297 H ASP 36 H ASP 36 -8.350 14.703 -1.942 298 HA ASP 36 HA ASP 36 -8.727 12.558 -3.883 299 1HB ASP 36 1HB ASP 36 -6.458 12.248 -2.703 300 2HB ASP 36 2HB ASP 36 -7.212 12.440 -1.134 301 H LEU 37 H LEU 37 -9.056 13.008 -0.351 302 HA LEU 37 HA LEU 37 -11.580 11.704 -0.243 303 1HB LEU 37 1HB LEU 37 -10.280 13.696 1.645 304 2HB LEU 37 2HB LEU 37 -11.721 12.753 1.993 305 HG LEU 37 HG LEU 37 -9.931 11.834 3.155 306 1HD1 LEU 37 1HD1 LEU 37 -10.550 9.902 0.900 307 2HD1 LEU 37 2HD1 LEU 37 -9.979 9.507 2.529 308 3HD1 LEU 37 3HD1 LEU 37 -11.587 10.218 2.317 309 1HD2 LEU 37 1HD2 LEU 37 -7.918 10.948 2.281 310 2HD2 LEU 37 2HD2 LEU 37 -8.447 11.176 0.608 311 3HD2 LEU 37 3HD2 LEU 37 -8.083 12.592 1.633 312 H SER 38 H SER 38 -10.917 14.759 -1.531 313 HA SER 38 HA SER 38 -12.316 16.521 -2.221 314 1HB SER 38 1HB SER 38 -13.817 14.378 -2.880 315 2HB SER 38 2HB SER 38 -14.758 14.760 -1.454 316 HG SER 38 HG SER 38 -14.238 16.464 -3.655 317 H GLU 39 H GLU 39 -14.905 17.128 -1.121 318 HA GLU 39 HA GLU 39 -13.989 18.887 0.767 319 1HB GLU 39 1HB GLU 39 -16.653 19.368 1.087 320 2HB GLU 39 2HB GLU 39 -16.157 19.382 -0.594 321 1HG GLU 39 1HG GLU 39 -16.929 17.062 -0.864 322 2HG GLU 39 2HG GLU 39 -17.401 17.022 0.843 323 H LYS 40 H LYS 40 -13.953 19.040 3.054 324 HA LYS 40 HA LYS 40 -15.323 16.970 4.586 325 1HB LYS 40 1HB LYS 40 -12.344 17.036 4.266 326 2HB LYS 40 2HB LYS 40 -12.919 17.097 5.928 327 1HG LYS 40 1HG LYS 40 -12.718 14.857 5.689 328 2HG LYS 40 2HG LYS 40 -14.427 15.090 5.368 329 1HD LYS 40 1HD LYS 40 -13.278 15.283 2.803 330 2HD LYS 40 2HD LYS 40 -12.175 14.208 3.637 331 1HE LYS 40 1HE LYS 40 -13.855 12.838 2.546 332 2HE LYS 40 2HE LYS 40 -14.156 12.747 4.284 333 1HZ LYS 40 1HZ LYS 40 -16.122 13.103 2.844 334 2HZ LYS 40 2HZ LYS 40 -15.944 14.276 3.990 335 3HZ LYS 40 3HZ LYS 40 -15.527 14.592 2.440 336 H VAL 41 H VAL 41 -16.016 17.947 6.614 337 HA VAL 41 HA VAL 41 -15.266 20.756 6.849 338 HB VAL 41 HB VAL 41 -17.321 21.228 7.568 339 1HG1 VAL 41 1HG1 VAL 41 -17.193 20.563 5.160 340 2HG1 VAL 41 2HG1 VAL 41 -17.870 18.983 5.591 341 3HG1 VAL 41 3HG1 VAL 41 -18.816 20.457 5.857 342 1HG2 VAL 41 1HG2 VAL 41 -17.608 19.589 9.334 343 2HG2 VAL 41 2HG2 VAL 41 -19.025 19.586 8.281 344 3HG2 VAL 41 3HG2 VAL 41 -17.799 18.292 8.137 345 H VAL 42 H VAL 42 -14.665 21.597 8.993 346 HA VAL 42 HA VAL 42 -14.611 19.652 11.174 347 HB VAL 42 HB VAL 42 -12.266 19.700 11.615 348 1HG1 VAL 42 1HG1 VAL 42 -11.113 18.820 9.682 349 2HG1 VAL 42 2HG1 VAL 42 -12.762 18.179 9.738 350 3HG1 VAL 42 3HG1 VAL 42 -12.354 19.471 8.597 351 1HG2 VAL 42 1HG2 VAL 42 -10.588 20.995 10.353 352 2HG2 VAL 42 2HG2 VAL 42 -11.890 21.794 9.454 353 3HG2 VAL 42 3HG2 VAL 42 -11.712 22.034 11.221 354 H TYR 43 H TYR 43 -13.820 20.731 13.260 355 HA TYR 43 HA TYR 43 -14.819 23.478 13.287 356 1HB TYR 43 1HB TYR 43 -14.641 21.504 15.513 357 2HB TYR 43 2HB TYR 43 -15.510 23.008 15.459 358 HD1 TYR 43 HD1 TYR 43 -15.486 19.517 13.595 359 HD2 TYR 43 HD2 TYR 43 -18.081 22.875 14.668 360 HE1 TYR 43 HE1 TYR 43 -17.314 18.414 12.721 361 HE2 TYR 43 HE2 TYR 43 -19.887 21.690 13.761 362 HH TYR 43 HH TYR 43 -19.589 18.429 12.309 363 H ARG 44 H ARG 44 -13.550 24.983 14.633 364 HA ARG 44 HA ARG 44 -11.030 23.834 15.726 365 1HB ARG 44 1HB ARG 44 -11.199 25.936 13.543 366 2HB ARG 44 2HB ARG 44 -9.954 26.002 14.791 367 1HG ARG 44 1HG ARG 44 -9.295 23.624 14.149 368 2HG ARG 44 2HG ARG 44 -10.297 23.863 12.694 369 1HD ARG 44 1HD ARG 44 -9.020 25.981 12.239 370 2HD ARG 44 2HD ARG 44 -8.031 25.662 13.677 371 HE ARG 44 HE ARG 44 -7.837 23.440 11.924 372 1HH1 ARG 44 1HH1 ARG 44 -6.828 26.816 12.274 373 2HH1 ARG 44 2HH1 ARG 44 -5.394 26.653 11.297 374 1HH2 ARG 44 1HH2 ARG 44 -5.856 23.207 10.690 375 2HH2 ARG 44 2HH2 ARG 44 -4.871 24.596 10.363 376 H ARG 45 H ARG 45 -10.160 25.160 17.451 377 HA ARG 45 HA ARG 45 -11.703 27.479 18.302 378 1HB ARG 45 1HB ARG 45 -11.887 26.610 20.621 379 2HB ARG 45 2HB ARG 45 -12.804 25.666 19.430 380 1HG ARG 45 1HG ARG 45 -10.822 24.085 19.338 381 2HG ARG 45 2HG ARG 45 -10.239 24.909 20.801 382 1HD ARG 45 1HD ARG 45 -13.027 23.682 20.571 383 2HD ARG 45 2HD ARG 45 -11.656 22.672 20.944 384 HE ARG 45 HE ARG 45 -12.914 24.720 22.652 385 1HH1 ARG 45 1HH1 ARG 45 -10.189 22.350 22.378 386 2HH1 ARG 45 2HH1 ARG 45 -10.001 22.259 24.083 387 1HH2 ARG 45 1HH2 ARG 45 -12.732 24.347 24.901 388 2HH2 ARG 45 2HH2 ARG 45 -11.405 23.396 25.515 389 H PHE 46 H PHE 46 -10.429 28.830 19.777 390 HA PHE 46 HA PHE 46 -7.877 29.198 18.970 391 1HB PHE 46 1HB PHE 46 -7.668 30.518 21.191 392 2HB PHE 46 2HB PHE 46 -8.720 31.031 19.891 393 HD1 PHE 46 HD1 PHE 46 -8.557 29.795 23.352 394 HD2 PHE 46 HD2 PHE 46 -11.167 30.943 20.110 395 HE1 PHE 46 HE1 PHE 46 -10.459 29.974 24.934 396 HE2 PHE 46 HE2 PHE 46 -13.059 31.117 21.702 397 HZ PHE 46 HZ PHE 46 -12.705 30.639 24.110 398 H THR 47 H THR 47 -8.627 27.687 22.079 399 HA THR 47 HA THR 47 -5.934 27.099 22.812 400 HB THR 47 HB THR 47 -7.483 26.981 24.550 401 HG1 THR 47 HG1 THR 47 -5.962 25.065 24.372 402 1HG2 THR 47 1HG2 THR 47 -9.614 26.660 23.395 403 2HG2 THR 47 2HG2 THR 47 -9.107 25.033 22.878 404 3HG2 THR 47 3HG2 THR 47 -9.406 25.384 24.593 405 H GLU 48 H GLU 48 -7.931 25.385 20.487 406 HA GLU 48 HA GLU 48 -6.228 23.027 20.527 407 1HB GLU 48 1HB GLU 48 -8.454 24.009 18.671 408 2HB GLU 48 2HB GLU 48 -7.478 22.637 18.385 409 1HG GLU 48 1HG GLU 48 -9.157 23.082 20.866 410 2HG GLU 48 2HG GLU 48 -9.669 22.066 19.496 411 H ILE 49 H ILE 49 -6.734 25.908 18.467 412 HA ILE 49 HA ILE 49 -4.692 25.245 16.567 413 HB ILE 49 HB ILE 49 -5.809 27.947 17.392 414 1HG1 ILE 49 1HG1 ILE 49 -6.154 26.755 14.696 415 2HG1 ILE 49 2HG1 ILE 49 -6.971 25.861 16.004 416 1HG2 ILE 49 1HG2 ILE 49 -4.740 28.731 15.263 417 2HG2 ILE 49 2HG2 ILE 49 -3.593 28.422 16.576 418 3HG2 ILE 49 3HG2 ILE 49 -3.793 27.221 15.281 419 1HD1 ILE 49 1HD1 ILE 49 -8.056 27.834 16.788 420 2HD1 ILE 49 2HD1 ILE 49 -7.234 28.827 15.573 421 3HD1 ILE 49 3HD1 ILE 49 -8.333 27.492 15.068 422 H TYR 50 H TYR 50 -4.602 26.878 19.719 423 HA TYR 50 HA TYR 50 -1.773 27.514 19.661 424 1HB TYR 50 1HB TYR 50 -3.564 26.916 22.074 425 2HB TYR 50 2HB TYR 50 -2.076 27.786 22.093 426 HD1 TYR 50 HD1 TYR 50 -4.712 29.074 23.226 427 HD2 TYR 50 HD2 TYR 50 -3.109 29.306 19.164 428 HE1 TYR 50 HE1 TYR 50 -5.879 31.132 22.824 429 HE2 TYR 50 HE2 TYR 50 -4.290 31.331 18.836 430 HH TYR 50 HH TYR 50 -5.546 33.000 19.785 431 H GLU 51 H GLU 51 -3.588 24.819 21.147 432 HA GLU 51 HA GLU 51 -1.257 23.492 22.040 433 1HB GLU 51 1HB GLU 51 -4.074 22.631 21.593 434 2HB GLU 51 2HB GLU 51 -2.831 21.398 21.803 435 1HG GLU 51 1HG GLU 51 -3.887 22.042 23.953 436 2HG GLU 51 2HG GLU 51 -2.137 22.244 23.927 437 H PHE 52 H PHE 52 -2.758 23.419 18.857 438 HA PHE 52 HA PHE 52 -1.119 21.353 17.670 439 1HB PHE 52 1HB PHE 52 -2.962 22.149 16.408 440 2HB PHE 52 2HB PHE 52 -2.508 23.799 16.514 441 HD1 PHE 52 HD1 PHE 52 -2.029 20.686 14.683 442 HD2 PHE 52 HD2 PHE 52 -0.246 24.679 14.837 443 HE1 PHE 52 HE1 PHE 52 -0.988 20.331 12.581 444 HE2 PHE 52 HE2 PHE 52 0.759 24.209 12.721 445 HZ PHE 52 HZ PHE 52 0.423 22.110 11.545 446 H HIS 53 H HIS 53 -0.877 24.868 17.371 447 HA HIS 53 HA HIS 53 1.577 24.923 16.204 448 1HB HIS 53 1HB HIS 53 -0.202 26.719 16.503 449 2HB HIS 53 2HB HIS 53 0.478 27.063 18.104 450 HD1 HIS 53 HD1 HIS 53 2.077 26.207 14.814 451 HD2 HIS 53 HD2 HIS 53 1.979 29.484 17.405 452 HE1 HIS 53 HE1 HIS 53 3.554 27.820 13.823 453 H LYS 54 H LYS 54 0.802 24.907 19.510 454 HA LYS 54 HA LYS 54 3.490 25.283 20.534 455 1HB LYS 54 1HB LYS 54 0.947 24.231 21.756 456 2HB LYS 54 2HB LYS 54 2.476 23.782 22.496 457 1HG LYS 54 1HG LYS 54 1.906 25.612 23.724 458 2HG LYS 54 2HG LYS 54 3.102 26.241 22.586 459 1HD LYS 54 1HD LYS 54 1.150 27.106 21.182 460 2HD LYS 54 2HD LYS 54 0.063 26.449 22.428 461 1HE LYS 54 1HE LYS 54 0.271 28.812 22.782 462 2HE LYS 54 2HE LYS 54 1.021 27.940 24.127 463 1HZ LYS 54 1HZ LYS 54 2.341 29.787 23.369 464 2HZ LYS 54 2HZ LYS 54 3.155 28.376 23.130 465 3HZ LYS 54 3HZ LYS 54 2.451 29.152 21.856 466 H THR 55 H THR 55 1.655 22.432 19.547 467 HA THR 55 HA THR 55 3.773 20.567 20.358 468 HB THR 55 HB THR 55 1.459 20.180 18.420 469 HG1 THR 55 HG1 THR 55 0.778 20.639 20.540 470 1HG2 THR 55 1HG2 THR 55 3.297 18.176 19.714 471 2HG2 THR 55 2HG2 THR 55 1.739 17.782 18.933 472 3HG2 THR 55 3HG2 THR 55 3.036 18.498 17.983 473 H LEU 56 H LEU 56 3.010 22.255 17.379 474 HA LEU 56 HA LEU 56 5.052 20.970 15.910 475 1HB LEU 56 1HB LEU 56 3.234 22.686 15.055 476 2HB LEU 56 2HB LEU 56 4.298 23.941 15.631 477 HG LEU 56 HG LEU 56 4.290 23.741 13.330 478 1HD1 LEU 56 1HD1 LEU 56 6.643 23.893 12.921 479 2HD1 LEU 56 2HD1 LEU 56 6.248 24.671 14.473 480 3HD1 LEU 56 3HD1 LEU 56 7.013 23.072 14.436 481 1HD2 LEU 56 1HD2 LEU 56 4.912 20.863 13.702 482 2HD2 LEU 56 2HD2 LEU 56 4.423 21.707 12.231 483 3HD2 LEU 56 3HD2 LEU 56 6.120 21.643 12.678 484 H LYS 57 H LYS 57 5.127 23.948 17.858 485 HA LYS 57 HA LYS 57 7.955 24.240 17.548 486 1HB LYS 57 1HB LYS 57 6.089 25.071 19.845 487 2HB LYS 57 2HB LYS 57 7.725 25.664 19.662 488 1HG LYS 57 1HG LYS 57 5.322 26.833 18.745 489 2HG LYS 57 2HG LYS 57 6.971 27.422 18.640 490 1HD LYS 57 1HD LYS 57 6.964 25.874 16.404 491 2HD LYS 57 2HD LYS 57 5.235 26.191 16.524 492 1HE LYS 57 1HE LYS 57 7.518 28.212 16.380 493 2HE LYS 57 2HE LYS 57 6.333 27.879 15.116 494 1HZ LYS 57 1HZ LYS 57 4.649 28.828 16.486 495 2HZ LYS 57 2HZ LYS 57 5.691 29.017 17.757 496 3HZ LYS 57 3HZ LYS 57 5.884 29.891 16.377 497 H GLU 58 H GLU 58 6.222 22.132 19.680 498 HA GLU 58 HA GLU 58 8.474 21.817 21.445 499 1HB GLU 58 1HB GLU 58 5.855 20.197 21.084 500 2HB GLU 58 2HB GLU 58 7.049 19.682 22.197 501 1HG GLU 58 1HG GLU 58 6.187 22.672 22.406 502 2HG GLU 58 2HG GLU 58 5.144 21.469 23.113 503 H MET 59 H MET 59 6.868 19.714 18.957 504 HA MET 59 HA MET 59 8.914 17.759 19.051 505 1HB MET 59 1HB MET 59 7.210 18.526 16.703 506 2HB MET 59 2HB MET 59 7.980 16.992 16.940 507 1HG MET 59 1HG MET 59 6.429 16.415 18.763 508 2HG MET 59 2HG MET 59 5.637 17.975 18.633 509 1HE MET 59 1HE MET 59 5.619 18.206 15.293 510 2HE MET 59 2HE MET 59 3.949 17.704 15.051 511 3HE MET 59 3HE MET 59 4.372 18.825 16.361 512 H PHE 60 H PHE 60 8.369 20.525 16.814 513 HA PHE 60 HA PHE 60 10.982 20.151 15.584 514 1HB PHE 60 1HB PHE 60 8.735 21.994 14.950 515 2HB PHE 60 2HB PHE 60 10.240 21.827 14.180 516 HD1 PHE 60 HD1 PHE 60 6.796 20.046 14.574 517 HD2 PHE 60 HD2 PHE 60 10.721 19.646 12.681 518 HE1 PHE 60 HE1 PHE 60 6.007 18.311 13.141 519 HE2 PHE 60 HE2 PHE 60 9.847 17.916 11.311 520 HZ PHE 60 HZ PHE 60 7.476 17.210 11.501 521 HA PRO 61 HA PRO 61 11.442 23.915 18.487 522 1HB PRO 61 1HB PRO 61 13.989 23.786 19.348 523 2HB PRO 61 2HB PRO 61 12.712 22.717 20.004 524 1HG PRO 61 1HG PRO 61 14.757 22.070 17.881 525 2HG PRO 61 2HG PRO 61 14.296 21.085 19.298 526 1HD PRO 61 1HD PRO 61 13.338 20.773 16.768 527 2HD PRO 61 2HD PRO 61 12.357 20.313 18.233 528 H ILE 62 H ILE 62 13.219 22.868 15.717 529 HA ILE 62 HA ILE 62 14.653 25.274 15.121 530 HB ILE 62 HB ILE 62 13.640 23.122 13.304 531 1HG1 ILE 62 1HG1 ILE 62 14.985 21.967 14.966 532 2HG1 ILE 62 2HG1 ILE 62 15.890 22.049 13.460 533 1HG2 ILE 62 1HG2 ILE 62 14.212 24.998 12.062 534 2HG2 ILE 62 2HG2 ILE 62 15.846 24.997 12.797 535 3HG2 ILE 62 3HG2 ILE 62 15.305 23.648 11.752 536 1HD1 ILE 62 1HD1 ILE 62 17.196 23.986 14.372 537 2HD1 ILE 62 2HD1 ILE 62 16.302 23.834 15.904 538 3HD1 ILE 62 3HD1 ILE 62 17.350 22.520 15.353 539 H GLU 63 H GLU 63 11.497 23.852 14.153 540 HA GLU 63 HA GLU 63 10.668 25.960 12.457 541 1HB GLU 63 1HB GLU 63 9.234 23.958 14.176 542 2HB GLU 63 2HB GLU 63 8.382 25.154 13.219 543 1HG GLU 63 1HG GLU 63 8.673 22.762 12.234 544 2HG GLU 63 2HG GLU 63 8.803 24.187 11.220 545 H ALA 64 H ALA 64 11.346 25.978 15.818 546 HA ALA 64 HA ALA 64 9.882 28.465 16.201 547 1HB ALA 64 1HB ALA 64 10.367 26.298 18.315 548 2HB ALA 64 2HB ALA 64 9.364 27.755 18.514 549 3HB ALA 64 3HB ALA 64 8.851 26.443 17.424 550 H GLY 65 H GLY 65 12.575 27.983 15.300 551 1HA GLY 65 1HA GLY 65 13.846 29.754 17.196 552 2HA GLY 65 2HA GLY 65 14.592 28.119 17.054 553 H ALA 66 H ALA 66 14.515 27.536 14.421 554 HA ALA 66 HA ALA 66 16.232 29.641 13.354 555 1HB ALA 66 1HB ALA 66 15.536 27.021 12.020 556 2HB ALA 66 2HB ALA 66 16.919 28.067 11.671 557 3HB ALA 66 3HB ALA 66 16.874 27.165 13.201 558 H ILE 67 H ILE 67 13.054 28.574 13.248 559 HA ILE 67 HA ILE 67 12.501 30.230 10.800 560 HB ILE 67 HB ILE 67 10.771 28.038 11.932 561 1HG1 ILE 67 1HG1 ILE 67 13.095 27.979 9.927 562 2HG1 ILE 67 2HG1 ILE 67 12.872 26.951 11.349 563 1HG2 ILE 67 1HG2 ILE 67 10.893 29.344 9.186 564 2HG2 ILE 67 2HG2 ILE 67 9.801 28.014 9.645 565 3HG2 ILE 67 3HG2 ILE 67 9.607 29.579 10.385 566 1HD1 ILE 67 1HD1 ILE 67 12.517 25.576 9.493 567 2HD1 ILE 67 2HD1 ILE 67 10.909 25.913 10.166 568 3HD1 ILE 67 3HD1 ILE 67 11.472 26.760 8.695 569 H ASN 68 H ASN 68 12.658 30.664 13.906 570 HA ASN 68 HA ASN 68 10.071 32.096 14.107 571 1HB ASN 68 1HB ASN 68 11.773 30.905 16.085 572 2HB ASN 68 2HB ASN 68 11.573 32.616 16.462 573 1HD2 ASN 68 1HD2 ASN 68 9.313 30.298 14.861 574 2HD2 ASN 68 2HD2 ASN 68 8.016 30.539 16.013 575 HA PRO 69 HA PRO 69 12.406 36.018 14.322 576 1HB PRO 69 1HB PRO 69 15.099 36.245 13.746 577 2HB PRO 69 2HB PRO 69 14.500 35.800 15.373 578 1HG PRO 69 1HG PRO 69 15.532 33.966 13.208 579 2HG PRO 69 2HG PRO 69 15.885 33.923 14.955 580 1HD PRO 69 1HD PRO 69 13.985 32.339 13.706 581 2HD PRO 69 2HD PRO 69 13.833 32.842 15.423 582 H GLU 70 H GLU 70 13.908 34.079 11.859 583 HA GLU 70 HA GLU 70 13.730 36.157 9.882 584 1HB GLU 70 1HB GLU 70 14.544 34.319 8.301 585 2HB GLU 70 2HB GLU 70 15.229 33.877 9.811 586 1HG GLU 70 1HG GLU 70 14.268 31.774 9.183 587 2HG GLU 70 2HG GLU 70 12.953 32.358 10.129 588 H ASN 71 H ASN 71 11.611 33.624 10.901 589 HA ASN 71 HA ASN 71 9.493 34.642 9.061 590 1HB ASN 71 1HB ASN 71 10.366 31.917 9.638 591 2HB ASN 71 2HB ASN 71 8.853 32.104 10.470 592 1HD2 ASN 71 1HD2 ASN 71 10.166 31.181 7.638 593 2HD2 ASN 71 2HD2 ASN 71 8.711 31.305 6.649 594 H ARG 72 H ARG 72 10.177 36.180 11.277 595 HA ARG 72 HA ARG 72 8.278 35.702 13.419 596 1HB ARG 72 1HB ARG 72 8.865 37.937 14.195 597 2HB ARG 72 2HB ARG 72 10.306 37.030 13.739 598 1HG ARG 72 1HG ARG 72 10.215 38.234 11.475 599 2HG ARG 72 2HG ARG 72 8.953 39.263 12.157 600 1HD ARG 72 1HD ARG 72 10.448 40.002 13.946 601 2HD ARG 72 2HD ARG 72 11.739 38.945 13.375 602 HE ARG 72 HE ARG 72 10.966 41.533 12.348 603 1HH1 ARG 72 1HH1 ARG 72 12.420 38.433 11.352 604 2HH1 ARG 72 2HH1 ARG 72 13.231 39.119 9.973 605 1HH2 ARG 72 1HH2 ARG 72 12.064 42.417 10.544 606 2HH2 ARG 72 2HH2 ARG 72 13.043 41.403 9.523 607 H ILE 73 H ILE 73 6.988 35.450 10.936 608 HA ILE 73 HA ILE 73 4.862 37.476 10.892 609 HB ILE 73 HB ILE 73 5.822 35.466 8.787 610 1HG1 ILE 73 1HG1 ILE 73 6.095 37.797 7.519 611 2HG1 ILE 73 2HG1 ILE 73 6.295 38.439 9.148 612 1HG2 ILE 73 1HG2 ILE 73 4.199 36.620 7.292 613 2HG2 ILE 73 2HG2 ILE 73 3.408 35.779 8.614 614 3HG2 ILE 73 3HG2 ILE 73 3.601 37.545 8.685 615 1HD1 ILE 73 1HD1 ILE 73 8.272 36.965 9.456 616 2HD1 ILE 73 2HD1 ILE 73 7.936 36.169 7.904 617 3HD1 ILE 73 3HD1 ILE 73 8.430 37.869 7.953 618 H ILE 74 H ILE 74 5.911 34.204 11.682 619 HA ILE 74 HA ILE 74 3.596 32.675 11.480 620 HB ILE 74 HB ILE 74 5.733 32.754 13.654 621 1HG1 ILE 74 1HG1 ILE 74 5.561 30.651 11.482 622 2HG1 ILE 74 2HG1 ILE 74 6.364 32.164 11.144 623 1HG2 ILE 74 1HG2 ILE 74 3.809 30.470 12.965 624 2HG2 ILE 74 2HG2 ILE 74 5.054 30.438 14.211 625 3HG2 ILE 74 3HG2 ILE 74 3.666 31.503 14.405 626 1HD1 ILE 74 1HD1 ILE 74 7.140 30.298 13.460 627 2HD1 ILE 74 2HD1 ILE 74 7.937 30.399 11.900 628 3HD1 ILE 74 3HD1 ILE 74 7.958 31.795 12.994 629 HA PRO 75 HA PRO 75 1.014 35.046 14.136 630 1HB PRO 75 1HB PRO 75 -1.124 33.429 14.692 631 2HB PRO 75 2HB PRO 75 -0.762 34.083 13.085 632 1HG PRO 75 1HG PRO 75 0.056 31.371 14.164 633 2HG PRO 75 2HG PRO 75 -0.798 31.788 12.647 634 1HD PRO 75 1HD PRO 75 1.867 31.380 12.667 635 2HD PRO 75 2HD PRO 75 1.141 32.639 11.643 636 H HIS 76 H HIS 76 2.935 34.793 15.758 637 HA HIS 76 HA HIS 76 2.445 33.056 18.098 638 1HB HIS 76 1HB HIS 76 4.549 34.177 18.928 639 2HB HIS 76 2HB HIS 76 4.678 33.181 17.481 640 HD1 HIS 76 HD1 HIS 76 3.888 36.909 17.949 641 HD2 HIS 76 HD2 HIS 76 6.422 34.373 15.781 642 HE1 HIS 76 HE1 HIS 76 5.315 38.378 16.418 643 H LEU 77 H LEU 77 0.236 34.252 18.006 644 HA LEU 77 HA LEU 77 0.242 36.784 19.558 645 1HB LEU 77 1HB LEU 77 -1.812 35.293 17.885 646 2HB LEU 77 2HB LEU 77 -2.283 36.599 18.954 647 HG LEU 77 HG LEU 77 -2.172 37.453 16.771 648 1HD1 LEU 77 1HD1 LEU 77 -0.705 39.339 16.979 649 2HD1 LEU 77 2HD1 LEU 77 -1.350 38.950 18.582 650 3HD1 LEU 77 3HD1 LEU 77 0.323 38.509 18.156 651 1HD2 LEU 77 1HD2 LEU 77 -0.279 37.459 15.305 652 2HD2 LEU 77 2HD2 LEU 77 0.741 36.645 16.500 653 3HD2 LEU 77 3HD2 LEU 77 -0.648 35.792 15.775 654 HA PRO 78 HA PRO 78 -1.064 34.614 23.191 655 1HB PRO 78 1HB PRO 78 -2.420 36.529 24.583 656 2HB PRO 78 2HB PRO 78 -0.685 36.697 24.196 657 1HG PRO 78 1HG PRO 78 -3.045 37.834 22.665 658 2HG PRO 78 2HG PRO 78 -1.623 38.723 23.288 659 1HD PRO 78 1HD PRO 78 -1.730 37.832 20.731 660 2HD PRO 78 2HD PRO 78 -0.202 37.764 21.653 661 H ALA 79 H ALA 79 -3.245 34.576 24.668 662 HA ALA 79 HA ALA 79 -5.310 33.400 22.956 663 1HB ALA 79 1HB ALA 79 -6.119 32.441 25.116 664 2HB ALA 79 2HB ALA 79 -4.412 32.100 24.810 665 3HB ALA 79 3HB ALA 79 -4.867 33.371 25.965 666 HA PRO 80 HA PRO 80 -8.054 36.823 23.325 667 1HB PRO 80 1HB PRO 80 -10.508 35.757 22.924 668 2HB PRO 80 2HB PRO 80 -9.205 35.594 21.722 669 1HG PRO 80 1HG PRO 80 -9.905 33.574 23.884 670 2HG PRO 80 2HG PRO 80 -9.854 33.289 22.120 671 1HD PRO 80 1HD PRO 80 -7.706 32.751 23.630 672 2HD PRO 80 2HD PRO 80 -7.516 33.551 22.044 673 H LYS 81 H LYS 81 -7.158 36.630 25.819 674 HA LYS 81 HA LYS 81 -9.376 37.519 27.411 675 1HB LYS 81 1HB LYS 81 -9.138 35.938 29.214 676 2HB LYS 81 2HB LYS 81 -9.758 35.176 27.738 677 1HG LYS 81 1HG LYS 81 -7.741 34.003 27.322 678 2HG LYS 81 2HG LYS 81 -6.800 35.050 28.400 679 1HD LYS 81 1HD LYS 81 -7.155 32.951 29.504 680 2HD LYS 81 2HD LYS 81 -8.026 34.247 30.349 681 1HE LYS 81 1HE LYS 81 -10.157 33.521 29.272 682 2HE LYS 81 2HE LYS 81 -9.285 32.238 28.413 683 1HZ LYS 81 1HZ LYS 81 -10.388 31.453 30.376 684 2HZ LYS 81 2HZ LYS 81 -8.758 31.287 30.552 685 3HZ LYS 81 3HZ LYS 81 -9.556 32.504 31.330 686 H TRP 82 H TRP 82 -7.204 38.695 26.366 687 HA TRP 82 HA TRP 82 -5.464 39.375 28.708 688 1HB TRP 82 1HB TRP 82 -5.054 39.503 25.697 689 2HB TRP 82 2HB TRP 82 -4.123 40.486 26.824 690 HD1 TRP 82 HD1 TRP 82 -4.950 36.718 27.226 691 HE1 TRP 82 HE1 TRP 82 -2.737 35.427 27.474 692 HE3 TRP 82 HE3 TRP 82 -1.645 40.577 26.531 693 HZ2 TRP 82 HZ2 TRP 82 0.062 35.977 27.382 694 HZ3 TRP 82 HZ3 TRP 82 0.789 40.150 26.617 695 HH2 TRP 82 HH2 TRP 82 1.655 37.862 27.042 696 H PHE 83 H PHE 83 -7.689 40.445 26.178 697 HA PHE 83 HA PHE 83 -8.169 43.001 27.596 698 1HB PHE 83 1HB PHE 83 -7.812 42.679 24.606 699 2HB PHE 83 2HB PHE 83 -8.144 44.188 25.467 700 HD1 PHE 83 HD1 PHE 83 -5.575 42.021 24.157 701 HD2 PHE 83 HD2 PHE 83 -6.359 45.009 27.169 702 HE1 PHE 83 HE1 PHE 83 -3.145 42.449 24.369 703 HE2 PHE 83 HE2 PHE 83 -3.925 45.432 27.377 704 HZ PHE 83 HZ PHE 83 -2.313 44.154 25.978 705 H ASP 84 H ASP 84 -9.658 40.745 27.962 706 HA ASP 84 HA ASP 84 -11.637 39.736 26.646 707 1HB ASP 84 1HB ASP 84 -11.760 41.080 29.440 708 2HB ASP 84 2HB ASP 84 -12.948 39.920 28.902 709 H GLY 85 H GLY 85 -12.337 41.145 24.845 710 1HA GLY 85 1HA GLY 85 -14.821 42.285 25.014 711 2HA GLY 85 2HA GLY 85 -13.655 43.621 25.202 712 H GLN 86 H GLN 86 -13.958 44.498 22.988 713 HA GLN 86 HA GLN 86 -14.031 42.843 20.693 714 1HB GLN 86 1HB GLN 86 -13.228 45.780 20.940 715 2HB GLN 86 2HB GLN 86 -13.651 44.947 19.434 716 1HG GLN 86 1HG GLN 86 -15.914 44.430 20.394 717 2HG GLN 86 2HG GLN 86 -15.523 45.444 21.793 718 1HE2 GLN 86 1HE2 GLN 86 -14.472 47.725 20.958 719 2HE2 GLN 86 2HE2 GLN 86 -15.474 48.510 19.755 720 H ARG 87 H ARG 87 -11.341 43.771 22.593 721 HA ARG 87 HA ARG 87 -9.478 43.109 20.394 722 1HB ARG 87 1HB ARG 87 -9.251 44.250 23.268 723 2HB ARG 87 2HB ARG 87 -7.797 43.599 22.532 724 1HG ARG 87 1HG ARG 87 -9.472 45.646 21.050 725 2HG ARG 87 2HG ARG 87 -8.281 46.137 22.264 726 1HD ARG 87 1HD ARG 87 -6.454 45.217 21.096 727 2HD ARG 87 2HD ARG 87 -7.455 44.242 20.033 728 HE ARG 87 HE ARG 87 -6.706 47.031 19.713 729 1HH1 ARG 87 1HH1 ARG 87 -9.232 44.670 18.922 730 2HH1 ARG 87 2HH1 ARG 87 -9.548 45.330 17.342 731 1HH2 ARG 87 1HH2 ARG 87 -7.237 47.986 17.653 732 2HH2 ARG 87 2HH2 ARG 87 -8.494 47.269 16.678 733 H ALA 88 H ALA 88 -11.240 41.419 22.598 734 HA ALA 88 HA ALA 88 -9.304 39.195 22.782 735 1HB ALA 88 1HB ALA 88 -12.135 39.384 23.830 736 2HB ALA 88 2HB ALA 88 -11.018 38.033 24.035 737 3HB ALA 88 3HB ALA 88 -10.612 39.604 24.747 738 H ALA 89 H ALA 89 -12.206 40.319 21.272 739 HA ALA 89 HA ALA 89 -12.896 37.964 19.777 740 1HB ALA 89 1HB ALA 89 -13.602 40.877 19.224 741 2HB ALA 89 2HB ALA 89 -14.370 39.456 18.494 742 3HB ALA 89 3HB ALA 89 -14.527 39.753 20.238 743 H GLU 90 H GLU 90 -11.423 41.020 18.767 744 HA GLU 90 HA GLU 90 -10.548 40.065 16.197 745 1HB GLU 90 1HB GLU 90 -9.754 42.495 17.841 746 2HB GLU 90 2HB GLU 90 -9.278 42.235 16.157 747 1HG GLU 90 1HG GLU 90 -11.555 42.320 15.382 748 2HG GLU 90 2HG GLU 90 -12.201 42.299 17.027 749 H ASN 91 H ASN 91 -9.281 39.165 19.171 750 HA ASN 91 HA ASN 91 -6.496 38.982 18.134 751 1HB ASN 91 1HB ASN 91 -6.757 39.324 20.651 752 2HB ASN 91 2HB ASN 91 -7.811 37.924 20.770 753 1HD2 ASN 91 1HD2 ASN 91 -6.908 35.830 20.807 754 2HD2 ASN 91 2HD2 ASN 91 -5.170 35.586 20.860 755 H ARG 92 H ARG 92 -9.088 36.684 19.287 756 HA ARG 92 HA ARG 92 -7.820 34.524 17.865 757 1HB ARG 92 1HB ARG 92 -9.840 33.229 18.346 758 2HB ARG 92 2HB ARG 92 -9.292 34.096 19.786 759 1HG ARG 92 1HG ARG 92 -11.009 35.850 19.374 760 2HG ARG 92 2HG ARG 92 -11.535 34.974 17.928 761 1HD ARG 92 1HD ARG 92 -12.316 33.096 19.289 762 2HD ARG 92 2HD ARG 92 -11.628 33.835 20.738 763 HE ARG 92 HE ARG 92 -13.405 35.211 20.955 764 1HH1 ARG 92 1HH1 ARG 92 -13.531 33.877 17.666 765 2HH1 ARG 92 2HH1 ARG 92 -14.882 34.875 17.187 766 1HH2 ARG 92 1HH2 ARG 92 -15.235 36.462 20.313 767 2HH2 ARG 92 2HH2 ARG 92 -15.809 36.360 18.669 768 H GLN 93 H GLN 93 -10.187 36.883 16.880 769 HA GLN 93 HA GLN 93 -10.770 35.472 14.373 770 1HB GLN 93 1HB GLN 93 -11.518 38.258 15.268 771 2HB GLN 93 2HB GLN 93 -12.040 37.501 13.756 772 1HG GLN 93 1HG GLN 93 -13.275 35.798 14.855 773 2HG GLN 93 2HG GLN 93 -12.568 36.183 16.424 774 1HE2 GLN 93 1HE2 GLN 93 -13.549 38.940 14.467 775 2HE2 GLN 93 2HE2 GLN 93 -14.983 39.294 15.403 776 H GLY 94 H GLY 94 -8.037 37.155 15.355 777 1HA GLY 94 1HA GLY 94 -7.367 38.052 12.557 778 2HA GLY 94 2HA GLY 94 -6.658 38.681 14.042 779 H THR 95 H THR 95 -6.283 36.378 15.491 780 HA THR 95 HA THR 95 -3.850 35.328 14.497 781 HB THR 95 HB THR 95 -5.750 34.385 16.732 782 HG1 THR 95 HG1 THR 95 -4.962 36.410 17.125 783 1HG2 THR 95 1HG2 THR 95 -3.747 33.296 17.783 784 2HG2 THR 95 2HG2 THR 95 -4.234 32.497 16.286 785 3HG2 THR 95 3HG2 THR 95 -2.827 33.579 16.304 786 H LEU 96 H LEU 96 -7.128 33.875 14.662 787 HA LEU 96 HA LEU 96 -6.074 31.496 13.393 788 1HB LEU 96 1HB LEU 96 -8.289 31.404 14.484 789 2HB LEU 96 2HB LEU 96 -8.923 32.538 13.283 790 HG LEU 96 HG LEU 96 -8.108 30.685 11.444 791 1HD1 LEU 96 1HD1 LEU 96 -8.171 28.438 12.353 792 2HD1 LEU 96 2HD1 LEU 96 -6.949 29.297 13.338 793 3HD1 LEU 96 3HD1 LEU 96 -8.638 29.117 13.910 794 1HD2 LEU 96 1HD2 LEU 96 -10.282 31.268 11.752 795 2HD2 LEU 96 2HD2 LEU 96 -10.178 29.465 11.895 796 3HD2 LEU 96 3HD2 LEU 96 -10.344 30.443 13.336 797 H THR 97 H THR 97 -7.868 34.279 12.231 798 HA THR 97 HA THR 97 -7.995 33.820 9.472 799 HB THR 97 HB THR 97 -7.732 36.341 11.155 800 HG1 THR 97 HG1 THR 97 -9.842 36.360 10.944 801 1HG2 THR 97 1HG2 THR 97 -6.724 37.111 9.180 802 2HG2 THR 97 2HG2 THR 97 -8.048 36.441 8.182 803 3HG2 THR 97 3HG2 THR 97 -8.353 37.766 9.341 804 H GLU 98 H GLU 98 -5.213 34.926 11.297 805 HA GLU 98 HA GLU 98 -3.713 35.122 8.771 806 1HB GLU 98 1HB GLU 98 -3.517 36.894 10.524 807 2HB GLU 98 2HB GLU 98 -2.850 35.715 11.655 808 1HG GLU 98 1HG GLU 98 -1.458 35.976 9.001 809 2HG GLU 98 2HG GLU 98 -1.387 37.376 10.076 810 H TYR 99 H TYR 99 -3.870 33.004 11.624 811 HA TYR 99 HA TYR 99 -1.661 31.598 10.662 812 1HB TYR 99 1HB TYR 99 -3.025 30.998 12.963 813 2HB TYR 99 2HB TYR 99 -3.811 29.852 11.948 814 HD1 TYR 99 HD1 TYR 99 -0.310 30.038 10.644 815 HD2 TYR 99 HD2 TYR 99 -2.658 28.381 13.897 816 HE1 TYR 99 HE1 TYR 99 1.456 28.396 11.151 817 HE2 TYR 99 HE2 TYR 99 -0.814 26.741 14.327 818 HH TYR 99 HH TYR 99 1.102 25.892 13.465 819 H CYS 100 H CYS 100 -5.056 31.320 9.745 820 HA CYS 100 HA CYS 100 -4.706 28.845 8.327 821 1HB CYS 100 1HB CYS 100 -6.998 29.870 8.855 822 2HB CYS 100 2HB CYS 100 -6.640 31.179 7.706 823 HG CYS 100 HG CYS 100 -8.320 29.556 6.628 824 H SER 101 H SER 101 -4.474 32.234 7.289 825 HA SER 101 HA SER 101 -3.665 31.548 4.620 826 1HB SER 101 1HB SER 101 -3.024 34.076 6.261 827 2HB SER 101 2HB SER 101 -3.121 33.962 4.494 828 HG SER 101 HG SER 101 -5.186 33.940 6.421 829 H THR 102 H THR 102 -1.864 31.950 7.563 830 HA THR 102 HA THR 102 0.729 31.926 6.267 831 HB THR 102 HB THR 102 -0.112 32.123 9.187 832 HG1 THR 102 HG1 THR 102 0.104 34.243 8.827 833 1HG2 THR 102 1HG2 THR 102 2.117 31.385 9.275 834 2HG2 THR 102 2HG2 THR 102 2.618 32.583 8.025 835 3HG2 THR 102 3HG2 THR 102 2.060 33.123 9.613 836 H LEU 103 H LEU 103 -1.171 29.576 8.004 837 HA LEU 103 HA LEU 103 0.947 27.735 8.246 838 1HB LEU 103 1HB LEU 103 -1.984 27.723 8.525 839 2HB LEU 103 2HB LEU 103 -1.740 26.417 7.731 840 HG LEU 103 HG LEU 103 -0.320 26.602 10.354 841 1HD1 LEU 103 1HD1 LEU 103 -2.039 26.366 11.611 842 2HD1 LEU 103 2HD1 LEU 103 -2.987 27.119 10.367 843 3HD1 LEU 103 3HD1 LEU 103 -2.971 25.362 10.498 844 1HD2 LEU 103 1HD2 LEU 103 -0.672 24.281 10.633 845 2HD2 LEU 103 2HD2 LEU 103 -1.769 24.167 9.292 846 3HD2 LEU 103 3HD2 LEU 103 -0.042 24.396 8.985 847 H MET 104 H MET 104 -1.190 28.638 5.564 848 HA MET 104 HA MET 104 -0.051 26.609 3.700 849 1HB MET 104 1HB MET 104 -2.130 28.806 3.466 850 2HB MET 104 2HB MET 104 -1.668 27.707 2.153 851 1HG MET 104 1HG MET 104 -2.967 26.873 4.783 852 2HG MET 104 2HG MET 104 -3.741 27.045 3.211 853 1HE MET 104 1HE MET 104 -2.157 24.524 5.634 854 2HE MET 104 2HE MET 104 -1.216 23.448 4.569 855 3HE MET 104 3HE MET 104 -0.651 25.058 4.911 856 H SER 105 H SER 105 0.863 29.567 4.810 857 HA SER 105 HA SER 105 2.213 30.263 2.277 858 1HB SER 105 1HB SER 105 1.121 32.134 4.013 859 2HB SER 105 2HB SER 105 2.589 31.778 4.916 860 HG SER 105 HG SER 105 2.474 32.628 2.221 861 H LEU 106 H LEU 106 3.085 29.425 5.695 862 HA LEU 106 HA LEU 106 5.470 29.716 5.675 863 1HB LEU 106 1HB LEU 106 4.118 27.260 6.810 864 2HB LEU 106 2HB LEU 106 5.718 27.846 7.228 865 HG LEU 106 HG LEU 106 3.133 28.936 8.147 866 1HD1 LEU 106 1HD1 LEU 106 4.258 27.583 9.559 867 2HD1 LEU 106 2HD1 LEU 106 5.811 28.470 9.414 868 3HD1 LEU 106 3HD1 LEU 106 4.389 29.203 10.206 869 1HD2 LEU 106 1HD2 LEU 106 4.285 31.012 8.901 870 2HD2 LEU 106 2HD2 LEU 106 5.664 30.605 7.872 871 3HD2 LEU 106 3HD2 LEU 106 4.067 30.973 7.144 872 HA PRO 107 HA PRO 107 7.703 27.498 2.775 873 1HB PRO 107 1HB PRO 107 10.285 27.865 3.468 874 2HB PRO 107 2HB PRO 107 9.246 29.213 2.890 875 1HG PRO 107 1HG PRO 107 9.948 28.479 5.752 876 2HG PRO 107 2HG PRO 107 9.948 30.106 5.020 877 1HD PRO 107 1HD PRO 107 7.901 28.993 6.514 878 2HD PRO 107 2HD PRO 107 7.645 30.307 5.307 879 H THR 108 H THR 108 7.336 26.570 5.891 880 HA THR 108 HA THR 108 8.927 24.068 5.679 881 HB THR 108 HB THR 108 7.576 23.718 7.861 882 HG1 THR 108 HG1 THR 108 7.264 26.514 7.793 883 1HG2 THR 108 1HG2 THR 108 9.531 25.995 7.796 884 2HG2 THR 108 2HG2 THR 108 8.999 25.117 9.251 885 3HG2 THR 108 3HG2 THR 108 9.907 24.254 7.993 886 H LYS 109 H LYS 109 7.280 24.506 3.570 887 HA LYS 109 HA LYS 109 4.754 23.235 4.249 888 1HB LYS 109 1HB LYS 109 5.402 24.942 2.133 889 2HB LYS 109 2HB LYS 109 5.874 23.463 1.335 890 1HG LYS 109 1HG LYS 109 3.670 24.131 0.672 891 2HG LYS 109 2HG LYS 109 3.547 22.601 1.548 892 1HD LYS 109 1HD LYS 109 2.672 23.668 3.508 893 2HD LYS 109 2HD LYS 109 3.105 25.288 2.944 894 1HE LYS 109 1HE LYS 109 1.113 23.491 1.483 895 2HE LYS 109 2HE LYS 109 0.634 24.581 2.787 896 1HZ LYS 109 1HZ LYS 109 1.955 25.452 0.311 897 2HZ LYS 109 2HZ LYS 109 0.345 25.571 0.638 898 3HZ LYS 109 3HZ LYS 109 1.419 26.435 1.522 899 H ILE 110 H ILE 110 7.743 21.979 3.794 900 HA ILE 110 HA ILE 110 6.660 19.309 3.071 901 HB ILE 110 HB ILE 110 9.548 20.169 3.492 902 1HG1 ILE 110 1HG1 ILE 110 8.760 21.485 1.637 903 2HG1 ILE 110 2HG1 ILE 110 9.793 20.195 1.039 904 1HG2 ILE 110 1HG2 ILE 110 10.051 18.111 2.161 905 2HG2 ILE 110 2HG2 ILE 110 9.285 17.774 3.714 906 3HG2 ILE 110 3HG2 ILE 110 8.329 17.682 2.226 907 1HD1 ILE 110 1HD1 ILE 110 7.775 18.899 0.342 908 2HD1 ILE 110 2HD1 ILE 110 6.742 20.229 0.916 909 3HD1 ILE 110 3HD1 ILE 110 7.867 20.494 -0.420 910 H SER 111 H SER 111 8.000 21.161 5.755 911 HA SER 111 HA SER 111 8.161 18.789 7.431 912 1HB SER 111 1HB SER 111 9.833 20.674 7.517 913 2HB SER 111 2HB SER 111 8.585 21.654 8.312 914 HG SER 111 HG SER 111 8.509 20.053 9.945 915 H ARG 112 H ARG 112 6.151 21.657 7.073 916 HA ARG 112 HA ARG 112 4.441 20.932 9.321 917 1HB ARG 112 1HB ARG 112 5.199 23.219 8.476 918 2HB ARG 112 2HB ARG 112 3.870 23.115 7.307 919 1HG ARG 112 1HG ARG 112 2.227 22.971 9.114 920 2HG ARG 112 2HG ARG 112 3.511 22.819 10.330 921 1HD ARG 112 1HD ARG 112 3.011 25.237 8.559 922 2HD ARG 112 2HD ARG 112 2.639 25.122 10.275 923 HE ARG 112 HE ARG 112 5.343 25.161 8.963 924 1HH1 ARG 112 1HH1 ARG 112 3.483 25.831 11.924 925 2HH1 ARG 112 2HH1 ARG 112 4.911 26.236 12.835 926 1HH2 ARG 112 1HH2 ARG 112 7.125 25.707 10.121 927 2HH2 ARG 112 2HH2 ARG 112 7.026 26.239 11.781 928 H CYS 113 H CYS 113 4.542 20.024 6.037 929 HA CYS 113 HA CYS 113 1.861 19.868 5.275 930 1HB CYS 113 1HB CYS 113 3.272 19.278 3.580 931 2HB CYS 113 2HB CYS 113 4.276 18.202 4.566 932 HG CYS 113 HG CYS 113 3.097 16.893 2.692 933 HA PRO 114 HA PRO 114 1.088 15.682 7.439 934 1HB PRO 114 1HB PRO 114 2.927 14.694 9.264 935 2HB PRO 114 2HB PRO 114 2.963 14.284 7.524 936 1HG PRO 114 1HG PRO 114 4.539 16.462 8.930 937 2HG PRO 114 2HG PRO 114 5.164 15.205 7.821 938 1HD PRO 114 1HD PRO 114 4.639 17.655 6.900 939 2HD PRO 114 2HD PRO 114 4.113 16.240 5.942 940 H HIS 115 H HIS 115 2.627 18.294 9.178 941 HA HIS 115 HA HIS 115 1.101 17.733 11.496 942 1HB HIS 115 1HB HIS 115 3.149 19.264 11.294 943 2HB HIS 115 2HB HIS 115 1.982 20.537 10.953 944 HD1 HIS 115 HD1 HIS 115 1.432 17.671 13.484 945 HD2 HIS 115 HD2 HIS 115 2.233 21.786 13.488 946 HE1 HIS 115 HE1 HIS 115 1.225 18.493 15.879 947 H LEU 116 H LEU 116 0.492 20.105 8.766 948 HA LEU 116 HA LEU 116 -1.835 20.793 9.658 949 1HB LEU 116 1HB LEU 116 -0.654 21.711 7.550 950 2HB LEU 116 2HB LEU 116 -1.476 20.452 6.632 951 HG LEU 116 HG LEU 116 -2.448 22.985 7.761 952 1HD1 LEU 116 1HD1 LEU 116 -4.156 22.823 5.877 953 2HD1 LEU 116 2HD1 LEU 116 -2.739 22.024 5.162 954 3HD1 LEU 116 3HD1 LEU 116 -4.010 21.083 5.890 955 1HD2 LEU 116 1HD2 LEU 116 -4.469 20.903 8.045 956 2HD2 LEU 116 2HD2 LEU 116 -3.571 21.809 9.315 957 3HD2 LEU 116 3HD2 LEU 116 -4.585 22.662 8.197 958 H LEU 117 H LEU 117 -1.181 18.140 7.424 959 HA LEU 117 HA LEU 117 -3.800 16.999 7.075 960 1HB LEU 117 1HB LEU 117 -1.136 15.586 7.267 961 2HB LEU 117 2HB LEU 117 -2.691 14.837 6.956 962 HG LEU 117 HG LEU 117 -2.794 16.467 4.787 963 1HD1 LEU 117 1HD1 LEU 117 -0.878 17.783 5.132 964 2HD1 LEU 117 2HD1 LEU 117 0.135 16.308 5.347 965 3HD1 LEU 117 3HD1 LEU 117 -0.622 16.685 3.784 966 1HD2 LEU 117 1HD2 LEU 117 -1.226 13.950 5.219 967 2HD2 LEU 117 2HD2 LEU 117 -2.949 14.141 4.764 968 3HD2 LEU 117 3HD2 LEU 117 -1.668 14.695 3.670 969 H ASP 118 H ASP 118 -1.551 16.588 9.763 970 HA ASP 118 HA ASP 118 -3.521 14.948 11.217 971 1HB ASP 118 1HB ASP 118 -0.844 15.224 11.542 972 2HB ASP 118 2HB ASP 118 -1.316 16.567 12.589 973 H PHE 119 H PHE 119 -3.526 18.207 10.625 974 HA PHE 119 HA PHE 119 -4.613 19.232 13.173 975 1HB PHE 119 1HB PHE 119 -3.221 20.334 11.055 976 2HB PHE 119 2HB PHE 119 -4.862 20.671 10.502 977 HD1 PHE 119 HD1 PHE 119 -2.175 22.695 11.083 978 HD2 PHE 119 HD2 PHE 119 -5.772 21.538 13.183 979 HE1 PHE 119 HE1 PHE 119 -2.107 24.617 12.450 980 HE2 PHE 119 HE2 PHE 119 -5.680 23.612 14.556 981 HZ PHE 119 HZ PHE 119 -3.775 25.178 14.165 982 H PHE 120 H PHE 120 -5.433 18.304 9.987 983 HA PHE 120 HA PHE 120 -8.364 18.653 10.284 984 1HB PHE 120 1HB PHE 120 -6.336 17.856 8.069 985 2HB PHE 120 2HB PHE 120 -8.070 18.006 7.801 986 HD1 PHE 120 HD1 PHE 120 -6.517 19.394 6.036 987 HD2 PHE 120 HD2 PHE 120 -7.558 20.646 10.015 988 HE1 PHE 120 HE1 PHE 120 -6.402 21.790 5.327 989 HE2 PHE 120 HE2 PHE 120 -7.456 22.965 9.333 990 HZ PHE 120 HZ PHE 120 -6.886 23.574 6.993 991 H LYS 121 H LYS 121 -6.244 15.992 9.265 992 HA LYS 121 HA LYS 121 -8.355 14.152 9.069 993 1HB LYS 121 1HB LYS 121 -6.973 12.592 8.392 994 2HB LYS 121 2HB LYS 121 -6.022 14.042 8.068 995 1HG LYS 121 1HG LYS 121 -5.041 13.509 10.472 996 2HG LYS 121 2HG LYS 121 -5.664 11.887 10.141 997 1HD LYS 121 1HD LYS 121 -3.608 13.501 8.589 998 2HD LYS 121 2HD LYS 121 -3.320 11.993 9.449 999 1HE LYS 121 1HE LYS 121 -4.538 10.717 7.767 1000 2HE LYS 121 2HE LYS 121 -5.145 12.190 6.998 1001 1HZ LYS 121 1HZ LYS 121 -3.409 11.477 5.699 1002 2HZ LYS 121 2HZ LYS 121 -2.827 12.767 6.510 1003 3HZ LYS 121 3HZ LYS 121 -2.366 11.253 6.941 1004 H VAL 122 H VAL 122 -6.757 15.314 11.867 1005 HA VAL 122 HA VAL 122 -7.886 13.172 13.556 1006 HB VAL 122 HB VAL 122 -6.081 15.471 14.348 1007 1HG1 VAL 122 1HG1 VAL 122 -6.896 12.887 15.733 1008 2HG1 VAL 122 2HG1 VAL 122 -5.674 14.033 16.332 1009 3HG1 VAL 122 3HG1 VAL 122 -7.371 14.530 16.226 1010 1HG2 VAL 122 1HG2 VAL 122 -5.561 12.575 13.492 1011 2HG2 VAL 122 2HG2 VAL 122 -4.935 14.041 12.730 1012 3HG2 VAL 122 3HG2 VAL 122 -4.360 13.583 14.336 1013 H ARG 123 H ARG 123 -8.035 16.763 13.142 1014 HA ARG 123 HA ARG 123 -9.646 18.260 14.019 1015 1HB ARG 123 1HB ARG 123 -11.910 17.698 13.336 1016 2HB ARG 123 2HB ARG 123 -10.674 17.763 12.090 1017 1HG ARG 123 1HG ARG 123 -10.591 15.222 12.057 1018 2HG ARG 123 2HG ARG 123 -11.920 15.215 13.213 1019 1HD ARG 123 1HD ARG 123 -13.134 16.705 11.452 1020 2HD ARG 123 2HD ARG 123 -11.822 16.230 10.348 1021 HE ARG 123 HE ARG 123 -12.739 13.855 11.396 1022 1HH1 ARG 123 1HH1 ARG 123 -14.378 16.552 9.709 1023 2HH1 ARG 123 2HH1 ARG 123 -15.699 15.561 9.209 1024 1HH2 ARG 123 1HH2 ARG 123 -14.502 12.609 10.712 1025 2HH2 ARG 123 2HH2 ARG 123 -15.754 13.295 9.717 1026 HA PRO 124 HA PRO 124 -10.510 16.209 17.917 1027 1HB PRO 124 1HB PRO 124 -8.902 17.641 19.658 1028 2HB PRO 124 2HB PRO 124 -8.219 16.392 18.580 1029 1HG PRO 124 1HG PRO 124 -8.404 19.372 18.040 1030 2HG PRO 124 2HG PRO 124 -6.936 18.354 17.970 1031 1HD PRO 124 1HD PRO 124 -8.411 18.934 15.753 1032 2HD PRO 124 2HD PRO 124 -7.656 17.325 15.956 1033 H ASP 125 H ASP 125 -11.961 18.143 16.458 1034 HA ASP 125 HA ASP 125 -13.611 18.919 18.657 1035 1HB ASP 125 1HB ASP 125 -11.992 20.896 18.237 1036 2HB ASP 125 2HB ASP 125 -12.835 21.153 16.720 1037 H ASP 126 H ASP 126 -13.318 17.321 15.949 1038 HA ASP 126 HA ASP 126 -16.049 17.853 14.940 1039 1HB ASP 126 1HB ASP 126 -14.328 17.725 13.183 1040 2HB ASP 126 2HB ASP 126 -13.651 16.288 13.946 1041 H LEU 127 H LEU 127 -13.807 15.179 15.984 1042 HA LEU 127 HA LEU 127 -16.069 13.845 17.311 1043 1HB LEU 127 1HB LEU 127 -14.364 12.875 14.941 1044 2HB LEU 127 2HB LEU 127 -14.956 11.639 15.970 1045 HG LEU 127 HG LEU 127 -17.057 13.467 14.556 1046 1HD1 LEU 127 1HD1 LEU 127 -16.155 10.613 14.060 1047 2HD1 LEU 127 2HD1 LEU 127 -17.465 11.504 13.253 1048 3HD1 LEU 127 3HD1 LEU 127 -15.778 12.010 13.019 1049 1HD2 LEU 127 1HD2 LEU 127 -17.266 10.944 16.262 1050 2HD2 LEU 127 2HD2 LEU 127 -17.831 12.561 16.734 1051 3HD2 LEU 127 3HD2 LEU 127 -18.571 11.733 15.362 1052 H LYS 128 H LYS 128 -13.579 15.268 18.054 1053 HA LYS 128 HA LYS 128 -12.747 13.377 20.056 1054 1HB LYS 128 1HB LYS 128 -11.038 14.151 17.657 1055 2HB LYS 128 2HB LYS 128 -10.217 14.393 19.191 1056 1HG LYS 128 1HG LYS 128 -10.748 12.005 19.808 1057 2HG LYS 128 2HG LYS 128 -11.469 11.803 18.207 1058 1HD LYS 128 1HD LYS 128 -9.270 10.913 18.123 1059 2HD LYS 128 2HD LYS 128 -9.285 12.395 17.151 1060 1HE LYS 128 1HE LYS 128 -8.129 13.630 18.924 1061 2HE LYS 128 2HE LYS 128 -8.340 12.285 20.061 1062 1HZ LYS 128 1HZ LYS 128 -6.144 12.359 19.172 1063 2HZ LYS 128 2HZ LYS 128 -6.893 10.978 18.679 1064 3HZ LYS 128 3HZ LYS 128 -6.694 12.229 17.629 1065 H LEU 129 H LEU 129 -14.355 15.483 19.959 1066 HA LEU 129 HA LEU 129 -13.525 18.008 20.587 1067 1HB LEU 129 1HB LEU 129 -15.845 16.285 21.598 1068 2HB LEU 129 2HB LEU 129 -15.880 17.993 21.834 1069 HG LEU 129 HG LEU 129 -15.738 17.068 18.859 1070 1HD1 LEU 129 1HD1 LEU 129 -17.298 15.545 19.956 1071 2HD1 LEU 129 2HD1 LEU 129 -18.124 16.927 20.720 1072 3HD1 LEU 129 3HD1 LEU 129 -18.127 16.748 18.944 1073 1HD2 LEU 129 1HD2 LEU 129 -15.761 19.487 19.459 1074 2HD2 LEU 129 2HD2 LEU 129 -17.221 18.950 18.609 1075 3HD2 LEU 129 3HD2 LEU 129 -17.273 19.241 20.353 1076 HA PRO 130 HA PRO 130 -11.999 17.982 24.662 1077 1HB PRO 130 1HB PRO 130 -13.552 20.262 25.655 1078 2HB PRO 130 2HB PRO 130 -11.831 20.198 25.216 1079 1HG PRO 130 1HG PRO 130 -13.674 21.590 23.697 1080 2HG PRO 130 2HG PRO 130 -12.289 20.715 22.954 1081 1HD PRO 130 1HD PRO 130 -15.101 19.705 23.356 1082 2HD PRO 130 2HD PRO 130 -14.181 19.792 21.836 Start of MODEL 6 1 1H GLY 1 1H GLY 1 2.751 2.349 -5.826 2 2H GLY 1 2H GLY 1 1.124 2.667 -5.782 3 3H GLY 1 3H GLY 1 2.168 3.655 -4.992 4 1HA GLY 1 1HA GLY 1 1.666 0.840 -4.327 5 2HA GLY 1 2HA GLY 1 2.741 1.952 -3.449 6 H SER 2 H SER 2 1.264 1.352 -1.581 7 HA SER 2 HA SER 2 -1.459 2.063 -1.526 8 1HB SER 2 1HB SER 2 0.521 1.975 0.794 9 2HB SER 2 2HB SER 2 -1.242 1.764 0.885 10 HG SER 2 HG SER 2 -0.125 -0.242 0.843 11 H MET 3 H MET 3 -2.464 3.927 -0.301 12 HA MET 3 HA MET 3 -0.791 6.282 0.216 13 1HB MET 3 1HB MET 3 -1.381 6.230 -2.295 14 2HB MET 3 2HB MET 3 -3.065 6.366 -1.806 15 1HG MET 3 1HG MET 3 -2.750 8.574 -1.973 16 2HG MET 3 2HG MET 3 -1.897 8.494 -0.433 17 1HE MET 3 1HE MET 3 0.900 7.088 -1.251 18 2HE MET 3 2HE MET 3 1.846 8.559 -1.547 19 3HE MET 3 3HE MET 3 0.710 8.500 -0.181 20 H GLY 4 H GLY 4 -2.057 4.704 2.067 21 1HA GLY 4 1HA GLY 4 -4.734 5.756 2.696 22 2HA GLY 4 2HA GLY 4 -3.761 4.615 3.651 23 H ASP 5 H ASP 5 -3.243 7.926 2.429 24 HA ASP 5 HA ASP 5 -3.417 9.062 5.005 25 1HB ASP 5 1HB ASP 5 -0.841 9.825 5.010 26 2HB ASP 5 2HB ASP 5 -0.903 8.071 4.979 27 H THR 6 H THR 6 -2.132 9.464 1.762 28 HA THR 6 HA THR 6 -2.007 11.113 0.253 29 HB THR 6 HB THR 6 -4.283 10.124 0.007 30 HG1 THR 6 HG1 THR 6 -4.774 11.668 -1.534 31 1HG2 THR 6 1HG2 THR 6 -6.061 11.756 0.456 32 2HG2 THR 6 2HG2 THR 6 -5.264 11.149 1.953 33 3HG2 THR 6 3HG2 THR 6 -4.947 12.788 1.360 34 H PHE 7 H PHE 7 -3.347 13.528 -0.086 35 HA PHE 7 HA PHE 7 -2.223 15.213 2.087 36 1HB PHE 7 1HB PHE 7 -1.420 15.501 -0.777 37 2HB PHE 7 2HB PHE 7 -0.710 16.265 0.612 38 HD1 PHE 7 HD1 PHE 7 -0.777 13.021 -1.384 39 HD2 PHE 7 HD2 PHE 7 0.487 14.587 2.491 40 HE1 PHE 7 HE1 PHE 7 0.655 11.126 -1.032 41 HE2 PHE 7 HE2 PHE 7 1.891 12.656 2.773 42 HZ PHE 7 HZ PHE 7 2.013 10.902 1.031 43 H ILE 8 H ILE 8 -2.353 17.619 1.366 44 HA ILE 8 HA ILE 8 -5.230 17.925 0.851 45 HB ILE 8 HB ILE 8 -3.400 19.358 2.810 46 1HG1 ILE 8 1HG1 ILE 8 -5.678 17.323 2.834 47 2HG1 ILE 8 2HG1 ILE 8 -4.095 17.231 3.613 48 1HG2 ILE 8 1HG2 ILE 8 -5.300 20.679 3.524 49 2HG2 ILE 8 2HG2 ILE 8 -4.840 21.063 1.890 50 3HG2 ILE 8 3HG2 ILE 8 -6.281 20.039 2.181 51 1HD1 ILE 8 1HD1 ILE 8 -6.491 18.918 4.321 52 2HD1 ILE 8 2HD1 ILE 8 -5.830 17.560 5.250 53 3HD1 ILE 8 3HD1 ILE 8 -4.900 19.077 5.134 54 H ARG 9 H ARG 9 -6.101 19.877 0.086 55 HA ARG 9 HA ARG 9 -4.445 20.936 -2.144 56 1HB ARG 9 1HB ARG 9 -6.966 19.872 -2.323 57 2HB ARG 9 2HB ARG 9 -7.481 21.435 -1.751 58 1HG ARG 9 1HG ARG 9 -5.828 20.876 -4.248 59 2HG ARG 9 2HG ARG 9 -7.543 21.311 -4.162 60 1HD ARG 9 1HD ARG 9 -6.851 23.498 -3.071 61 2HD ARG 9 2HD ARG 9 -5.161 23.059 -3.440 62 HE ARG 9 HE ARG 9 -6.708 22.859 -5.809 63 1HH1 ARG 9 1HH1 ARG 9 -5.366 25.282 -3.602 64 2HH1 ARG 9 2HH1 ARG 9 -5.251 26.529 -4.811 65 1HH2 ARG 9 1HH2 ARG 9 -6.557 24.502 -7.416 66 2HH2 ARG 9 2HH2 ARG 9 -5.934 26.075 -7.007 67 H HIS 10 H HIS 10 -6.866 22.068 0.248 68 HA HIS 10 HA HIS 10 -5.186 24.030 1.386 69 1HB HIS 10 1HB HIS 10 -5.639 25.966 0.206 70 2HB HIS 10 2HB HIS 10 -5.836 24.919 -1.155 71 HD1 HIS 10 HD1 HIS 10 -8.604 23.854 -1.030 72 HD2 HIS 10 HD2 HIS 10 -7.722 27.814 0.015 73 HE1 HIS 10 HE1 HIS 10 -10.751 25.225 -1.255 74 H ILE 11 H ILE 11 -6.560 25.905 2.408 75 HA ILE 11 HA ILE 11 -8.818 24.684 3.792 76 HB ILE 11 HB ILE 11 -7.333 26.987 4.962 77 1HG1 ILE 11 1HG1 ILE 11 -6.278 24.148 5.182 78 2HG1 ILE 11 2HG1 ILE 11 -5.507 25.449 4.287 79 1HG2 ILE 11 1HG2 ILE 11 -9.426 26.106 5.949 80 2HG2 ILE 11 2HG2 ILE 11 -8.696 24.508 6.116 81 3HG2 ILE 11 3HG2 ILE 11 -8.088 25.884 7.063 82 1HD1 ILE 11 1HD1 ILE 11 -4.471 25.130 6.474 83 2HD1 ILE 11 2HD1 ILE 11 -5.095 26.773 6.201 84 3HD1 ILE 11 3HD1 ILE 11 -5.943 25.669 7.281 85 H ALA 12 H ALA 12 -10.739 26.002 4.157 86 HA ALA 12 HA ALA 12 -10.789 28.744 3.095 87 1HB ALA 12 1HB ALA 12 -11.674 27.377 1.253 88 2HB ALA 12 2HB ALA 12 -12.739 26.500 2.381 89 3HB ALA 12 3HB ALA 12 -12.999 28.230 2.074 90 H LEU 13 H LEU 13 -11.810 29.881 4.895 91 HA LEU 13 HA LEU 13 -12.849 28.148 6.942 92 1HB LEU 13 1HB LEU 13 -11.116 29.770 7.358 93 2HB LEU 13 2HB LEU 13 -12.245 31.076 7.056 94 HG LEU 13 HG LEU 13 -11.991 29.093 9.464 95 1HD1 LEU 13 1HD1 LEU 13 -11.423 32.005 8.994 96 2HD1 LEU 13 2HD1 LEU 13 -11.511 31.257 10.584 97 3HD1 LEU 13 3HD1 LEU 13 -10.298 30.691 9.408 98 1HD2 LEU 13 1HD2 LEU 13 -14.349 29.572 9.477 99 2HD2 LEU 13 2HD2 LEU 13 -13.533 30.424 10.756 100 3HD2 LEU 13 3HD2 LEU 13 -14.035 31.331 9.322 101 H LEU 14 H LEU 14 -15.059 28.413 7.781 102 HA LEU 14 HA LEU 14 -16.824 29.827 5.816 103 1HB LEU 14 1HB LEU 14 -17.029 27.217 7.096 104 2HB LEU 14 2HB LEU 14 -18.096 28.177 8.003 105 HG LEU 14 HG LEU 14 -19.101 29.060 5.790 106 1HD1 LEU 14 1HD1 LEU 14 -18.800 27.718 3.748 107 2HD1 LEU 14 2HD1 LEU 14 -17.220 28.329 4.238 108 3HD1 LEU 14 3HD1 LEU 14 -17.660 26.662 4.564 109 1HD2 LEU 14 1HD2 LEU 14 -20.267 27.445 7.183 110 2HD2 LEU 14 2HD2 LEU 14 -20.516 27.068 5.469 111 3HD2 LEU 14 3HD2 LEU 14 -19.383 26.104 6.435 112 H GLY 15 H GLY 15 -16.335 29.415 9.286 113 1HA GLY 15 1HA GLY 15 -16.360 32.149 9.861 114 2HA GLY 15 2HA GLY 15 -18.080 31.814 9.699 115 H PHE 16 H PHE 16 -19.151 31.449 11.475 116 HA PHE 16 HA PHE 16 -17.728 31.182 13.999 117 1HB PHE 16 1HB PHE 16 -19.894 31.684 14.981 118 2HB PHE 16 2HB PHE 16 -19.320 32.854 13.862 119 HD1 PHE 16 HD1 PHE 16 -20.907 33.648 12.053 120 HD2 PHE 16 HD2 PHE 16 -21.664 29.695 13.767 121 HE1 PHE 16 HE1 PHE 16 -22.921 33.427 10.768 122 HE2 PHE 16 HE2 PHE 16 -23.654 29.551 12.447 123 HZ PHE 16 HZ PHE 16 -24.329 31.393 10.934 124 H GLU 17 H GLU 17 -19.113 29.828 15.691 125 HA GLU 17 HA GLU 17 -20.550 27.562 14.978 126 1HB GLU 17 1HB GLU 17 -18.543 26.595 14.078 127 2HB GLU 17 2HB GLU 17 -17.616 27.043 15.491 128 1HG GLU 17 1HG GLU 17 -18.114 24.660 15.408 129 2HG GLU 17 2HG GLU 17 -18.880 25.372 16.819 130 H LYS 18 H LYS 18 -21.154 26.365 16.974 131 HA LYS 18 HA LYS 18 -20.694 27.803 19.494 132 1HB LYS 18 1HB LYS 18 -22.999 27.126 19.994 133 2HB LYS 18 2HB LYS 18 -22.742 28.464 18.894 134 1HG LYS 18 1HG LYS 18 -23.271 25.691 17.784 135 2HG LYS 18 2HG LYS 18 -24.599 26.655 18.414 136 1HD LYS 18 1HD LYS 18 -22.779 27.561 16.140 137 2HD LYS 18 2HD LYS 18 -24.350 26.786 15.973 138 1HE LYS 18 1HE LYS 18 -25.415 28.661 17.230 139 2HE LYS 18 2HE LYS 18 -23.848 29.485 17.316 140 1HZ LYS 18 1HZ LYS 18 -23.799 29.560 14.947 141 2HZ LYS 18 2HZ LYS 18 -25.251 28.787 14.842 142 3HZ LYS 18 3HZ LYS 18 -25.159 30.285 15.517 143 H ARG 19 H ARG 19 -19.113 26.244 20.289 144 HA ARG 19 HA ARG 19 -20.097 23.501 20.891 145 1HB ARG 19 1HB ARG 19 -17.464 24.556 19.983 146 2HB ARG 19 2HB ARG 19 -17.390 23.663 21.496 147 1HG ARG 19 1HG ARG 19 -16.964 22.055 19.941 148 2HG ARG 19 2HG ARG 19 -18.640 21.757 20.377 149 1HD ARG 19 1HD ARG 19 -17.636 23.224 17.880 150 2HD ARG 19 2HD ARG 19 -18.099 21.537 17.917 151 HE ARG 19 HE ARG 19 -19.828 23.847 17.702 152 1HH1 ARG 19 1HH1 ARG 19 -19.784 20.539 18.940 153 2HH1 ARG 19 2HH1 ARG 19 -21.456 20.235 18.541 154 1HH2 ARG 19 1HH2 ARG 19 -21.891 23.432 17.047 155 2HH2 ARG 19 2HH2 ARG 19 -22.716 21.942 17.467 156 H PHE 20 H PHE 20 -21.148 23.732 22.806 157 HA PHE 20 HA PHE 20 -20.334 25.800 24.605 158 1HB PHE 20 1HB PHE 20 -22.229 23.390 25.069 159 2HB PHE 20 2HB PHE 20 -22.579 24.917 25.736 160 HD1 PHE 20 HD1 PHE 20 -23.235 22.639 22.760 161 HD2 PHE 20 HD2 PHE 20 -23.283 26.915 23.760 162 HE1 PHE 20 HE1 PHE 20 -24.603 23.116 20.894 163 HE2 PHE 20 HE2 PHE 20 -24.663 27.291 21.865 164 HZ PHE 20 HZ PHE 20 -25.362 25.418 20.391 165 H VAL 21 H VAL 21 -19.351 22.633 24.028 166 HA VAL 21 HA VAL 21 -18.615 22.200 26.757 167 HB VAL 21 HB VAL 21 -18.944 19.585 25.465 168 1HG1 VAL 21 1HG1 VAL 21 -21.062 19.572 26.770 169 2HG1 VAL 21 2HG1 VAL 21 -19.803 20.373 27.753 170 3HG1 VAL 21 3HG1 VAL 21 -21.014 21.348 26.888 171 1HG2 VAL 21 1HG2 VAL 21 -21.157 21.241 24.485 172 2HG2 VAL 21 2HG2 VAL 21 -19.739 20.653 23.536 173 3HG2 VAL 21 3HG2 VAL 21 -20.830 19.496 24.350 174 HA PRO 22 HA PRO 22 -17.383 20.037 27.424 175 1HB PRO 22 1HB PRO 22 -15.031 19.574 28.684 176 2HB PRO 22 2HB PRO 22 -15.568 18.638 27.264 177 1HG PRO 22 1HG PRO 22 -13.661 20.976 27.326 178 2HG PRO 22 2HG PRO 22 -13.461 19.422 26.469 179 1HD PRO 22 1HD PRO 22 -14.407 21.755 25.350 180 2HD PRO 22 2HD PRO 22 -14.858 20.157 24.699 181 H SER 23 H SER 23 -16.124 23.045 26.846 182 HA SER 23 HA SER 23 -16.930 24.109 29.419 183 1HB SER 23 1HB SER 23 -14.310 23.872 29.452 184 2HB SER 23 2HB SER 23 -14.224 24.825 27.990 185 HG SER 23 HG SER 23 -14.971 26.591 29.096 186 H GLN 24 H GLN 24 -17.225 26.602 29.199 187 HA GLN 24 HA GLN 24 -18.898 26.942 26.936 188 1HB GLN 24 1HB GLN 24 -18.058 29.052 28.878 189 2HB GLN 24 2HB GLN 24 -19.511 28.921 27.915 190 1HG GLN 24 1HG GLN 24 -18.941 27.059 30.411 191 2HG GLN 24 2HG GLN 24 -20.266 28.163 30.290 192 1HE2 GLN 24 1HE2 GLN 24 -19.203 25.041 29.755 193 2HE2 GLN 24 2HE2 GLN 24 -20.456 24.502 28.651 194 H HIS 25 H HIS 25 -17.950 27.578 24.840 195 HA HIS 25 HA HIS 25 -16.577 30.028 24.736 196 1HB HIS 25 1HB HIS 25 -14.679 28.487 23.441 197 2HB HIS 25 2HB HIS 25 -14.461 28.934 25.163 198 HD1 HIS 25 HD1 HIS 25 -16.118 26.216 22.992 199 HD2 HIS 25 HD2 HIS 25 -13.612 26.532 26.328 200 HE1 HIS 25 HE1 HIS 25 -15.533 23.895 23.654 201 H TYR 26 H TYR 26 -17.246 30.853 22.528 202 HA TYR 26 HA TYR 26 -18.243 28.758 20.762 203 1HB TYR 26 1HB TYR 26 -18.021 31.771 20.577 204 2HB TYR 26 2HB TYR 26 -18.153 30.884 19.112 205 HD1 TYR 26 HD1 TYR 26 -20.100 29.585 22.192 206 HD2 TYR 26 HD2 TYR 26 -20.507 31.873 18.472 207 HE1 TYR 26 HE1 TYR 26 -22.463 29.510 22.351 208 HE2 TYR 26 HE2 TYR 26 -22.868 31.750 18.713 209 HH TYR 26 HH TYR 26 -24.656 31.088 20.023 210 H VAL 27 H VAL 27 -17.460 28.466 18.527 211 HA VAL 27 HA VAL 27 -14.488 28.740 18.288 212 HB VAL 27 HB VAL 27 -14.264 26.404 17.916 213 1HG1 VAL 27 1HG1 VAL 27 -14.405 27.014 20.310 214 2HG1 VAL 27 2HG1 VAL 27 -16.135 26.602 20.290 215 3HG1 VAL 27 3HG1 VAL 27 -14.944 25.358 19.980 216 1HG2 VAL 27 1HG2 VAL 27 -16.171 25.876 16.592 217 2HG2 VAL 27 2HG2 VAL 27 -16.081 24.802 17.979 218 3HG2 VAL 27 3HG2 VAL 27 -17.249 26.147 18.003 219 H TYR 28 H TYR 28 -14.008 27.782 15.827 220 HA TYR 28 HA TYR 28 -15.906 29.203 14.180 221 1HB TYR 28 1HB TYR 28 -13.556 29.242 12.746 222 2HB TYR 28 2HB TYR 28 -14.329 30.531 13.697 223 HD1 TYR 28 HD1 TYR 28 -12.245 27.645 14.429 224 HD2 TYR 28 HD2 TYR 28 -12.886 31.821 14.952 225 HE1 TYR 28 HE1 TYR 28 -10.269 27.712 15.985 226 HE2 TYR 28 HE2 TYR 28 -10.895 31.936 16.490 227 HH TYR 28 HH TYR 28 -9.249 30.845 17.494 228 H MET 29 H MET 29 -16.831 28.295 12.454 229 HA MET 29 HA MET 29 -16.437 25.477 12.036 230 1HB MET 29 1HB MET 29 -18.550 26.526 11.950 231 2HB MET 29 2HB MET 29 -18.144 27.507 10.519 232 1HG MET 29 1HG MET 29 -19.008 24.655 10.892 233 2HG MET 29 2HG MET 29 -19.661 25.921 9.872 234 1HE MET 29 1HE MET 29 -18.288 22.635 9.759 235 2HE MET 29 2HE MET 29 -16.740 22.704 8.884 236 3HE MET 29 3HE MET 29 -16.908 23.481 10.487 237 H PHE 30 H PHE 30 -14.731 24.624 10.611 238 HA PHE 30 HA PHE 30 -13.740 26.398 8.579 239 1HB PHE 30 1HB PHE 30 -12.528 24.291 10.412 240 2HB PHE 30 2HB PHE 30 -11.893 24.391 8.829 241 HD1 PHE 30 HD1 PHE 30 -12.053 26.678 12.126 242 HD2 PHE 30 HD2 PHE 30 -10.430 26.301 8.044 243 HE1 PHE 30 HE1 PHE 30 -10.482 28.304 12.510 244 HE2 PHE 30 HE2 PHE 30 -8.881 27.986 8.540 245 HZ PHE 30 HZ PHE 30 -8.816 29.022 10.745 246 H LEU 31 H LEU 31 -13.382 25.699 6.335 247 HA LEU 31 HA LEU 31 -14.365 23.026 5.787 248 1HB LEU 31 1HB LEU 31 -14.512 25.634 4.330 249 2HB LEU 31 2HB LEU 31 -14.294 24.186 3.356 250 HG LEU 31 HG LEU 31 -16.639 24.921 3.645 251 1HD1 LEU 31 1HD1 LEU 31 -16.020 22.157 4.714 252 2HD1 LEU 31 2HD1 LEU 31 -17.556 22.712 4.013 253 3HD1 LEU 31 3HD1 LEU 31 -16.085 22.645 3.003 254 1HD2 LEU 31 1HD2 LEU 31 -16.352 25.513 6.121 255 2HD2 LEU 31 2HD2 LEU 31 -17.833 24.618 5.702 256 3HD2 LEU 31 3HD2 LEU 31 -16.479 23.784 6.471 257 H VAL 32 H VAL 32 -12.891 21.403 5.270 258 HA VAL 32 HA VAL 32 -10.305 22.381 4.282 259 HB VAL 32 HB VAL 32 -9.721 21.293 6.056 260 1HG1 VAL 32 1HG1 VAL 32 -10.445 19.112 6.868 261 2HG1 VAL 32 2HG1 VAL 32 -11.808 20.232 6.785 262 3HG1 VAL 32 3HG1 VAL 32 -11.600 18.985 5.526 263 1HG2 VAL 32 1HG2 VAL 32 -8.676 19.147 5.300 264 2HG2 VAL 32 2HG2 VAL 32 -9.574 19.255 3.804 265 3HG2 VAL 32 3HG2 VAL 32 -8.407 20.531 4.210 266 H LYS 33 H LYS 33 -9.662 21.821 2.182 267 HA LYS 33 HA LYS 33 -11.680 20.318 0.626 268 1HB LYS 33 1HB LYS 33 -11.493 22.614 -0.008 269 2HB LYS 33 2HB LYS 33 -9.744 22.457 -0.232 270 1HG LYS 33 1HG LYS 33 -10.029 20.883 -2.057 271 2HG LYS 33 2HG LYS 33 -11.760 20.762 -1.776 272 1HD LYS 33 1HD LYS 33 -10.287 23.292 -2.659 273 2HD LYS 33 2HD LYS 33 -11.069 22.166 -3.763 274 1HE LYS 33 1HE LYS 33 -12.568 23.690 -1.574 275 2HE LYS 33 2HE LYS 33 -12.452 24.203 -3.258 276 1HZ LYS 33 1HZ LYS 33 -13.531 21.598 -2.448 277 2HZ LYS 33 2HZ LYS 33 -14.469 22.895 -2.620 278 3HZ LYS 33 3HZ LYS 33 -13.644 22.303 -3.929 279 H TRP 34 H TRP 34 -10.902 18.120 0.300 280 HA TRP 34 HA TRP 34 -7.980 17.876 0.223 281 1HB TRP 34 1HB TRP 34 -10.144 15.777 0.313 282 2HB TRP 34 2HB TRP 34 -8.433 15.462 0.227 283 HD1 TRP 34 HD1 TRP 34 -10.910 17.128 2.628 284 HE1 TRP 34 HE1 TRP 34 -10.132 16.673 5.069 285 HE3 TRP 34 HE3 TRP 34 -6.539 14.717 1.622 286 HZ2 TRP 34 HZ2 TRP 34 -7.900 15.401 6.385 287 HZ3 TRP 34 HZ3 TRP 34 -5.096 13.905 3.486 288 HH2 TRP 34 HH2 TRP 34 -5.776 14.207 5.823 289 H GLN 35 H GLN 35 -6.972 16.659 -1.617 290 HA GLN 35 HA GLN 35 -8.466 17.279 -4.124 291 1HB GLN 35 1HB GLN 35 -6.228 17.276 -5.235 292 2HB GLN 35 2HB GLN 35 -5.782 17.880 -3.656 293 1HG GLN 35 1HG GLN 35 -5.541 14.969 -4.544 294 2HG GLN 35 2HG GLN 35 -4.300 16.207 -4.599 295 1HE2 GLN 35 1HE2 GLN 35 -6.201 14.155 -2.407 296 2HE2 GLN 35 2HE2 GLN 35 -5.256 14.557 -0.976 297 H ASP 36 H ASP 36 -8.465 14.745 -2.134 298 HA ASP 36 HA ASP 36 -9.183 12.918 -4.319 299 1HB ASP 36 1HB ASP 36 -6.835 12.252 -3.358 300 2HB ASP 36 2HB ASP 36 -7.508 12.244 -1.746 301 H LEU 37 H LEU 37 -9.262 13.195 -0.747 302 HA LEU 37 HA LEU 37 -11.769 11.834 -0.546 303 1HB LEU 37 1HB LEU 37 -10.460 13.789 1.372 304 2HB LEU 37 2HB LEU 37 -11.853 12.778 1.719 305 HG LEU 37 HG LEU 37 -10.013 11.881 2.797 306 1HD1 LEU 37 1HD1 LEU 37 -10.555 10.026 0.458 307 2HD1 LEU 37 2HD1 LEU 37 -9.944 9.585 2.060 308 3HD1 LEU 37 3HD1 LEU 37 -11.590 10.219 1.899 309 1HD2 LEU 37 1HD2 LEU 37 -8.226 12.816 1.294 310 2HD2 LEU 37 2HD2 LEU 37 -7.962 11.161 1.880 311 3HD2 LEU 37 3HD2 LEU 37 -8.508 11.425 0.220 312 H SER 38 H SER 38 -11.126 14.979 -1.706 313 HA SER 38 HA SER 38 -12.542 16.709 -2.375 314 1HB SER 38 1HB SER 38 -14.045 14.588 -3.056 315 2HB SER 38 2HB SER 38 -14.974 14.928 -1.609 316 HG SER 38 HG SER 38 -15.756 15.989 -3.481 317 H GLU 39 H GLU 39 -15.105 17.292 -1.227 318 HA GLU 39 HA GLU 39 -14.157 19.062 0.647 319 1HB GLU 39 1HB GLU 39 -17.119 18.100 0.279 320 2HB GLU 39 2HB GLU 39 -16.681 19.645 0.965 321 1HG GLU 39 1HG GLU 39 -16.332 18.729 -1.923 322 2HG GLU 39 2HG GLU 39 -17.420 19.956 -1.287 323 H LYS 40 H LYS 40 -14.029 19.077 2.954 324 HA LYS 40 HA LYS 40 -15.436 16.973 4.456 325 1HB LYS 40 1HB LYS 40 -12.455 17.206 4.227 326 2HB LYS 40 2HB LYS 40 -13.107 17.144 5.861 327 1HG LYS 40 1HG LYS 40 -12.677 14.937 5.442 328 2HG LYS 40 2HG LYS 40 -14.413 15.098 5.257 329 1HD LYS 40 1HD LYS 40 -13.448 15.493 2.632 330 2HD LYS 40 2HD LYS 40 -12.270 14.393 3.317 331 1HE LYS 40 1HE LYS 40 -14.012 13.065 2.266 332 2HE LYS 40 2HE LYS 40 -14.166 12.856 4.012 333 1HZ LYS 40 1HZ LYS 40 -15.988 14.369 3.975 334 2HZ LYS 40 2HZ LYS 40 -15.718 14.779 2.410 335 3HZ LYS 40 3HZ LYS 40 -16.250 13.259 2.784 336 H VAL 41 H VAL 41 -16.241 17.945 6.438 337 HA VAL 41 HA VAL 41 -15.527 20.753 6.751 338 HB VAL 41 HB VAL 41 -17.614 21.238 7.248 339 1HG1 VAL 41 1HG1 VAL 41 -18.113 18.796 5.497 340 2HG1 VAL 41 2HG1 VAL 41 -19.042 20.304 5.557 341 3HG1 VAL 41 3HG1 VAL 41 -17.398 20.303 4.913 342 1HG2 VAL 41 1HG2 VAL 41 -18.099 18.384 8.126 343 2HG2 VAL 41 2HG2 VAL 41 -17.956 19.829 9.159 344 3HG2 VAL 41 3HG2 VAL 41 -19.339 19.668 8.070 345 H VAL 42 H VAL 42 -14.869 21.524 8.879 346 HA VAL 42 HA VAL 42 -14.908 19.569 11.025 347 HB VAL 42 HB VAL 42 -12.553 19.674 11.499 348 1HG1 VAL 42 1HG1 VAL 42 -11.535 18.350 9.738 349 2HG1 VAL 42 2HG1 VAL 42 -13.199 17.831 10.014 350 3HG1 VAL 42 3HG1 VAL 42 -12.795 18.824 8.593 351 1HG2 VAL 42 1HG2 VAL 42 -12.177 21.354 8.990 352 2HG2 VAL 42 2HG2 VAL 42 -11.988 21.885 10.670 353 3HG2 VAL 42 3HG2 VAL 42 -10.875 20.685 9.998 354 H TYR 43 H TYR 43 -14.197 20.576 13.118 355 HA TYR 43 HA TYR 43 -15.013 23.369 13.193 356 1HB TYR 43 1HB TYR 43 -14.863 21.380 15.387 357 2HB TYR 43 2HB TYR 43 -15.770 22.853 15.339 358 HD1 TYR 43 HD1 TYR 43 -15.732 19.448 13.169 359 HD2 TYR 43 HD2 TYR 43 -18.333 22.563 14.824 360 HE1 TYR 43 HE1 TYR 43 -17.578 18.391 12.317 361 HE2 TYR 43 HE2 TYR 43 -20.163 21.424 13.927 362 HH TYR 43 HH TYR 43 -20.939 19.629 12.705 363 H ARG 44 H ARG 44 -13.649 24.845 14.500 364 HA ARG 44 HA ARG 44 -11.119 23.582 15.503 365 1HB ARG 44 1HB ARG 44 -11.096 24.862 13.131 366 2HB ARG 44 2HB ARG 44 -10.750 26.239 14.177 367 1HG ARG 44 1HG ARG 44 -8.760 25.241 15.032 368 2HG ARG 44 2HG ARG 44 -9.172 23.690 14.312 369 1HD ARG 44 1HD ARG 44 -7.756 24.327 12.671 370 2HD ARG 44 2HD ARG 44 -9.190 25.178 12.034 371 HE ARG 44 HE ARG 44 -7.605 26.799 13.787 372 1HH1 ARG 44 1HH1 ARG 44 -7.863 25.639 10.454 373 2HH1 ARG 44 2HH1 ARG 44 -6.562 26.625 9.854 374 1HH2 ARG 44 1HH2 ARG 44 -5.922 28.175 12.964 375 2HH2 ARG 44 2HH2 ARG 44 -5.517 28.135 11.273 376 H ARG 45 H ARG 45 -10.436 24.519 17.518 377 HA ARG 45 HA ARG 45 -12.000 26.825 18.482 378 1HB ARG 45 1HB ARG 45 -12.082 25.832 20.702 379 2HB ARG 45 2HB ARG 45 -12.873 24.813 19.485 380 1HG ARG 45 1HG ARG 45 -10.922 23.320 19.434 381 2HG ARG 45 2HG ARG 45 -10.152 24.300 20.703 382 1HD ARG 45 1HD ARG 45 -12.094 23.784 22.210 383 2HD ARG 45 2HD ARG 45 -12.800 22.798 20.925 384 HE ARG 45 HE ARG 45 -10.123 22.254 22.161 385 1HH1 ARG 45 1HH1 ARG 45 -13.279 20.856 21.219 386 2HH1 ARG 45 2HH1 ARG 45 -12.684 19.249 21.357 387 1HH2 ARG 45 1HH2 ARG 45 -9.384 20.088 22.026 388 2HH2 ARG 45 2HH2 ARG 45 -10.568 18.813 22.022 389 H PHE 46 H PHE 46 -10.849 28.202 20.056 390 HA PHE 46 HA PHE 46 -8.346 28.887 19.196 391 1HB PHE 46 1HB PHE 46 -8.195 30.307 21.165 392 2HB PHE 46 2HB PHE 46 -9.663 30.461 20.225 393 HD1 PHE 46 HD1 PHE 46 -11.812 30.226 21.218 394 HD2 PHE 46 HD2 PHE 46 -8.267 29.173 23.455 395 HE1 PHE 46 HE1 PHE 46 -13.145 30.087 23.280 396 HE2 PHE 46 HE2 PHE 46 -9.621 29.023 25.516 397 HZ PHE 46 HZ PHE 46 -12.062 29.479 25.443 398 H THR 47 H THR 47 -8.978 27.204 22.212 399 HA THR 47 HA THR 47 -6.299 26.772 23.017 400 HB THR 47 HB THR 47 -8.104 26.458 24.557 401 HG1 THR 47 HG1 THR 47 -6.122 24.885 24.479 402 1HG2 THR 47 1HG2 THR 47 -9.883 25.577 23.058 403 2HG2 THR 47 2HG2 THR 47 -8.972 24.058 22.890 404 3HG2 THR 47 3HG2 THR 47 -9.638 24.531 24.461 405 H GLU 48 H GLU 48 -8.041 25.113 20.452 406 HA GLU 48 HA GLU 48 -6.170 22.868 20.430 407 1HB GLU 48 1HB GLU 48 -8.549 23.699 18.692 408 2HB GLU 48 2HB GLU 48 -7.366 22.589 18.153 409 1HG GLU 48 1HG GLU 48 -8.790 22.373 20.799 410 2HG GLU 48 2HG GLU 48 -9.377 21.533 19.338 411 H ILE 49 H ILE 49 -6.839 25.835 18.546 412 HA ILE 49 HA ILE 49 -4.666 25.408 16.697 413 HB ILE 49 HB ILE 49 -5.957 27.985 17.710 414 1HG1 ILE 49 1HG1 ILE 49 -5.996 27.240 14.874 415 2HG1 ILE 49 2HG1 ILE 49 -6.791 26.020 15.896 416 1HG2 ILE 49 1HG2 ILE 49 -3.682 27.588 15.775 417 2HG2 ILE 49 2HG2 ILE 49 -4.717 29.042 15.771 418 3HG2 ILE 49 3HG2 ILE 49 -3.723 28.666 17.182 419 1HD1 ILE 49 1HD1 ILE 49 -8.179 27.694 16.932 420 2HD1 ILE 49 2HD1 ILE 49 -7.317 28.989 16.084 421 3HD1 ILE 49 3HD1 ILE 49 -8.319 27.820 15.172 422 H TYR 50 H TYR 50 -4.806 26.867 19.955 423 HA TYR 50 HA TYR 50 -2.029 27.574 19.967 424 1HB TYR 50 1HB TYR 50 -3.823 26.896 22.365 425 2HB TYR 50 2HB TYR 50 -2.391 27.863 22.408 426 HD1 TYR 50 HD1 TYR 50 -5.267 28.881 23.385 427 HD2 TYR 50 HD2 TYR 50 -3.319 29.368 19.503 428 HE1 TYR 50 HE1 TYR 50 -6.561 30.863 22.921 429 HE2 TYR 50 HE2 TYR 50 -4.631 31.309 19.109 430 HH TYR 50 HH TYR 50 -6.146 32.803 19.942 431 H GLU 51 H GLU 51 -3.716 24.772 21.416 432 HA GLU 51 HA GLU 51 -1.325 23.575 22.408 433 1HB GLU 51 1HB GLU 51 -4.080 22.552 21.862 434 2HB GLU 51 2HB GLU 51 -2.780 21.403 22.129 435 1HG GLU 51 1HG GLU 51 -4.057 22.079 24.213 436 2HG GLU 51 2HG GLU 51 -2.297 22.139 24.288 437 H PHE 52 H PHE 52 -2.896 23.273 19.273 438 HA PHE 52 HA PHE 52 -1.165 21.341 18.066 439 1HB PHE 52 1HB PHE 52 -3.172 21.994 16.921 440 2HB PHE 52 2HB PHE 52 -2.775 23.664 16.951 441 HD1 PHE 52 HD1 PHE 52 -1.118 24.710 14.998 442 HD2 PHE 52 HD2 PHE 52 -1.922 20.415 15.211 443 HE1 PHE 52 HE1 PHE 52 -0.279 24.368 12.829 444 HE2 PHE 52 HE2 PHE 52 -1.073 20.174 13.042 445 HZ PHE 52 HZ PHE 52 -0.232 22.129 11.762 446 H HIS 53 H HIS 53 -1.179 24.884 17.583 447 HA HIS 53 HA HIS 53 1.227 24.917 16.361 448 1HB HIS 53 1HB HIS 53 -0.638 26.674 16.563 449 2HB HIS 53 2HB HIS 53 0.097 27.209 18.085 450 HD1 HIS 53 HD1 HIS 53 2.324 26.112 15.342 451 HD2 HIS 53 HD2 HIS 53 0.530 29.724 16.493 452 HE1 HIS 53 HE1 HIS 53 3.354 27.830 14.009 453 H LYS 54 H LYS 54 0.537 25.049 19.673 454 HA LYS 54 HA LYS 54 3.209 25.700 20.605 455 1HB LYS 54 1HB LYS 54 1.486 25.972 22.190 456 2HB LYS 54 2HB LYS 54 0.929 24.295 21.980 457 1HG LYS 54 1HG LYS 54 2.952 23.426 23.002 458 2HG LYS 54 2HG LYS 54 3.611 25.068 23.181 459 1HD LYS 54 1HD LYS 54 1.756 25.645 24.696 460 2HD LYS 54 2HD LYS 54 0.985 24.075 24.389 461 1HE LYS 54 1HE LYS 54 2.976 22.910 25.342 462 2HE LYS 54 2HE LYS 54 3.721 24.478 25.696 463 1HZ LYS 54 1HZ LYS 54 1.182 23.487 26.797 464 2HZ LYS 54 2HZ LYS 54 2.626 23.543 27.590 465 3HZ LYS 54 3HZ LYS 54 1.872 24.942 27.147 466 H THR 55 H THR 55 1.563 22.664 19.882 467 HA THR 55 HA THR 55 3.848 21.021 20.662 468 HB THR 55 HB THR 55 1.474 20.340 18.878 469 HG1 THR 55 HG1 THR 55 0.855 20.918 20.992 470 1HG2 THR 55 1HG2 THR 55 1.922 18.019 19.554 471 2HG2 THR 55 2HG2 THR 55 3.162 18.727 18.527 472 3HG2 THR 55 3HG2 THR 55 3.470 18.561 20.270 473 H LEU 56 H LEU 56 2.846 22.427 17.612 474 HA LEU 56 HA LEU 56 4.869 21.163 16.108 475 1HB LEU 56 1HB LEU 56 2.954 22.744 15.251 476 2HB LEU 56 2HB LEU 56 3.971 24.074 15.715 477 HG LEU 56 HG LEU 56 3.980 23.777 13.467 478 1HD1 LEU 56 1HD1 LEU 56 5.971 24.767 14.521 479 2HD1 LEU 56 2HD1 LEU 56 6.759 23.177 14.473 480 3HD1 LEU 56 3HD1 LEU 56 6.285 23.925 12.986 481 1HD2 LEU 56 1HD2 LEU 56 4.649 20.923 13.914 482 2HD2 LEU 56 2HD2 LEU 56 4.031 21.715 12.464 483 3HD2 LEU 56 3HD2 LEU 56 5.758 21.697 12.772 484 H LYS 57 H LYS 57 4.913 24.277 17.829 485 HA LYS 57 HA LYS 57 7.706 24.646 17.269 486 1HB LYS 57 1HB LYS 57 5.674 25.836 19.179 487 2HB LYS 57 2HB LYS 57 7.373 26.266 19.340 488 1HG LYS 57 1HG LYS 57 7.105 27.896 17.812 489 2HG LYS 57 2HG LYS 57 6.973 26.618 16.602 490 1HD LYS 57 1HD LYS 57 5.354 28.129 16.126 491 2HD LYS 57 2HD LYS 57 4.534 26.712 16.738 492 1HE LYS 57 1HE LYS 57 5.126 29.317 18.276 493 2HE LYS 57 2HE LYS 57 3.584 28.911 17.517 494 1HZ LYS 57 1HZ LYS 57 4.824 27.564 19.791 495 2HZ LYS 57 2HZ LYS 57 3.403 28.398 19.763 496 3HZ LYS 57 3HZ LYS 57 3.539 26.954 18.961 497 H GLU 58 H GLU 58 6.188 22.710 19.669 498 HA GLU 58 HA GLU 58 8.524 22.647 21.358 499 1HB GLU 58 1HB GLU 58 6.014 20.815 21.277 500 2HB GLU 58 2HB GLU 58 7.255 20.599 22.426 501 1HG GLU 58 1HG GLU 58 6.405 23.515 22.435 502 2HG GLU 58 2HG GLU 58 5.040 22.467 22.706 503 H MET 59 H MET 59 6.893 20.268 19.135 504 HA MET 59 HA MET 59 8.967 18.372 19.269 505 1HB MET 59 1HB MET 59 7.178 18.931 16.920 506 2HB MET 59 2HB MET 59 8.000 17.446 17.250 507 1HG MET 59 1HG MET 59 6.502 16.892 19.068 508 2HG MET 59 2HG MET 59 5.669 18.430 18.942 509 1HE MET 59 1HE MET 59 5.474 18.777 15.698 510 2HE MET 59 2HE MET 59 3.932 18.021 15.347 511 3HE MET 59 3HE MET 59 4.094 19.143 16.703 512 H PHE 60 H PHE 60 8.295 20.952 16.845 513 HA PHE 60 HA PHE 60 10.845 20.488 15.530 514 1HB PHE 60 1HB PHE 60 8.622 22.334 14.879 515 2HB PHE 60 2HB PHE 60 10.068 22.080 14.020 516 HD1 PHE 60 HD1 PHE 60 6.620 20.417 14.712 517 HD2 PHE 60 HD2 PHE 60 10.456 19.710 12.734 518 HE1 PHE 60 HE1 PHE 60 5.737 18.561 13.503 519 HE2 PHE 60 HE2 PHE 60 9.492 17.873 11.590 520 HZ PHE 60 HZ PHE 60 7.115 17.254 11.940 521 HA PRO 61 HA PRO 61 11.492 24.381 18.226 522 1HB PRO 61 1HB PRO 61 14.087 24.243 18.917 523 2HB PRO 61 2HB PRO 61 12.841 23.221 19.709 524 1HG PRO 61 1HG PRO 61 14.740 22.454 17.492 525 2HG PRO 61 2HG PRO 61 14.362 21.540 18.979 526 1HD PRO 61 1HD PRO 61 13.227 21.150 16.527 527 2HD PRO 61 2HD PRO 61 12.351 20.755 18.087 528 H ILE 62 H ILE 62 12.938 23.117 15.382 529 HA ILE 62 HA ILE 62 14.504 25.351 14.579 530 HB ILE 62 HB ILE 62 13.224 23.221 12.923 531 1HG1 ILE 62 1HG1 ILE 62 14.555 22.010 14.559 532 2HG1 ILE 62 2HG1 ILE 62 15.389 21.963 13.009 533 1HG2 ILE 62 1HG2 ILE 62 14.825 23.556 11.258 534 2HG2 ILE 62 2HG2 ILE 62 13.917 25.028 11.591 535 3HG2 ILE 62 3HG2 ILE 62 15.574 24.851 12.239 536 1HD1 ILE 62 1HD1 ILE 62 16.903 23.801 13.780 537 2HD1 ILE 62 2HD1 ILE 62 16.068 23.801 15.352 538 3HD1 ILE 62 3HD1 ILE 62 16.967 22.372 14.824 539 H GLU 63 H GLU 63 11.210 24.110 13.837 540 HA GLU 63 HA GLU 63 10.629 26.312 12.067 541 1HB GLU 63 1HB GLU 63 9.392 24.351 11.795 542 2HB GLU 63 2HB GLU 63 8.795 24.387 13.454 543 1HG GLU 63 1HG GLU 63 7.220 25.032 11.550 544 2HG GLU 63 2HG GLU 63 7.239 26.061 13.012 545 H ALA 64 H ALA 64 11.193 26.153 15.385 546 HA ALA 64 HA ALA 64 9.969 28.760 15.814 547 1HB ALA 64 1HB ALA 64 9.009 26.580 17.071 548 2HB ALA 64 2HB ALA 64 10.506 26.627 17.971 549 3HB ALA 64 3HB ALA 64 9.379 27.999 18.103 550 H GLY 65 H GLY 65 12.506 28.274 14.760 551 1HA GLY 65 1HA GLY 65 13.853 30.011 16.603 552 2HA GLY 65 2HA GLY 65 14.537 28.342 16.577 553 H ALA 66 H ALA 66 14.437 27.581 13.989 554 HA ALA 66 HA ALA 66 16.322 29.511 12.867 555 1HB ALA 66 1HB ALA 66 16.791 26.955 12.909 556 2HB ALA 66 2HB ALA 66 15.559 26.885 11.610 557 3HB ALA 66 3HB ALA 66 17.048 27.804 11.367 558 H ILE 67 H ILE 67 13.078 28.710 12.721 559 HA ILE 67 HA ILE 67 12.816 30.289 10.167 560 HB ILE 67 HB ILE 67 10.966 28.156 11.212 561 1HG1 ILE 67 1HG1 ILE 67 13.277 28.021 9.181 562 2HG1 ILE 67 2HG1 ILE 67 13.150 27.108 10.693 563 1HG2 ILE 67 1HG2 ILE 67 9.805 29.608 9.655 564 2HG2 ILE 67 2HG2 ILE 67 11.203 29.649 8.555 565 3HG2 ILE 67 3HG2 ILE 67 10.212 28.192 8.727 566 1HD1 ILE 67 1HD1 ILE 67 12.774 25.574 9.002 567 2HD1 ILE 67 2HD1 ILE 67 11.207 25.886 9.770 568 3HD1 ILE 67 3HD1 ILE 67 11.608 26.608 8.174 569 H ASN 68 H ASN 68 12.759 30.753 13.279 570 HA ASN 68 HA ASN 68 10.182 32.206 13.262 571 1HB ASN 68 1HB ASN 68 11.665 31.013 15.358 572 2HB ASN 68 2HB ASN 68 11.562 32.739 15.706 573 1HD2 ASN 68 1HD2 ASN 68 9.402 30.246 14.197 574 2HD2 ASN 68 2HD2 ASN 68 7.991 30.657 15.134 575 HA PRO 69 HA PRO 69 12.495 36.136 13.495 576 1HB PRO 69 1HB PRO 69 15.222 36.374 13.131 577 2HB PRO 69 2HB PRO 69 14.531 35.889 14.713 578 1HG PRO 69 1HG PRO 69 15.713 34.115 12.574 579 2HG PRO 69 2HG PRO 69 15.955 34.030 14.337 580 1HD PRO 69 1HD PRO 69 14.132 32.476 12.914 581 2HD PRO 69 2HD PRO 69 13.912 32.902 14.646 582 H GLU 70 H GLU 70 14.137 34.154 11.174 583 HA GLU 70 HA GLU 70 14.068 36.254 9.186 584 1HB GLU 70 1HB GLU 70 14.850 34.301 7.593 585 2HB GLU 70 2HB GLU 70 15.721 34.144 9.070 586 1HG GLU 70 1HG GLU 70 14.923 31.953 9.147 587 2HG GLU 70 2HG GLU 70 13.396 32.544 9.668 588 H ASN 71 H ASN 71 11.950 33.679 10.062 589 HA ASN 71 HA ASN 71 9.960 34.793 8.156 590 1HB ASN 71 1HB ASN 71 10.881 32.090 8.212 591 2HB ASN 71 2HB ASN 71 9.468 32.009 9.214 592 1HD2 ASN 71 1HD2 ASN 71 7.800 31.271 8.134 593 2HD2 ASN 71 2HD2 ASN 71 7.349 31.761 6.504 594 H ARG 72 H ARG 72 10.378 36.133 10.337 595 HA ARG 72 HA ARG 72 8.529 35.425 12.455 596 1HB ARG 72 1HB ARG 72 10.561 37.244 12.251 597 2HB ARG 72 2HB ARG 72 9.230 38.341 12.021 598 1HG ARG 72 1HG ARG 72 9.943 36.598 14.394 599 2HG ARG 72 2HG ARG 72 9.940 38.345 14.282 600 1HD ARG 72 1HD ARG 72 8.056 37.841 15.619 601 2HD ARG 72 2HD ARG 72 7.424 38.309 14.047 602 HE ARG 72 HE ARG 72 6.431 36.254 13.915 603 1HH1 ARG 72 1HH1 ARG 72 9.119 35.972 16.223 604 2HH1 ARG 72 2HH1 ARG 72 8.881 34.255 16.472 605 1HH2 ARG 72 1HH2 ARG 72 6.036 34.050 14.407 606 2HH2 ARG 72 2HH2 ARG 72 7.158 33.166 15.426 607 H ILE 73 H ILE 73 7.066 34.970 10.292 608 HA ILE 73 HA ILE 73 4.940 37.041 10.184 609 HB ILE 73 HB ILE 73 5.447 34.749 8.236 610 1HG1 ILE 73 1HG1 ILE 73 5.959 37.068 6.799 611 2HG1 ILE 73 2HG1 ILE 73 6.664 37.472 8.362 612 1HG2 ILE 73 1HG2 ILE 73 3.653 37.202 8.083 613 2HG2 ILE 73 2HG2 ILE 73 3.900 36.015 6.784 614 3HG2 ILE 73 3HG2 ILE 73 3.123 35.517 8.285 615 1HD1 ILE 73 1HD1 ILE 73 8.439 36.408 7.173 616 2HD1 ILE 73 2HD1 ILE 73 7.776 35.106 8.177 617 3HD1 ILE 73 3HD1 ILE 73 7.358 35.183 6.476 618 H ILE 74 H ILE 74 5.974 33.804 11.117 619 HA ILE 74 HA ILE 74 3.566 32.406 11.335 620 HB ILE 74 HB ILE 74 5.929 32.373 13.182 621 1HG1 ILE 74 1HG1 ILE 74 5.691 30.309 11.037 622 2HG1 ILE 74 2HG1 ILE 74 6.299 31.896 10.553 623 1HG2 ILE 74 1HG2 ILE 74 3.927 31.158 14.052 624 2HG2 ILE 74 2HG2 ILE 74 3.774 30.293 12.514 625 3HG2 ILE 74 3HG2 ILE 74 5.157 29.983 13.576 626 1HD1 ILE 74 1HD1 ILE 74 7.983 31.838 12.343 627 2HD1 ILE 74 2HD1 ILE 74 7.381 30.245 12.858 628 3HD1 ILE 74 3HD1 ILE 74 8.129 30.437 11.259 629 HA PRO 75 HA PRO 75 1.805 35.121 14.323 630 1HB PRO 75 1HB PRO 75 -0.474 33.783 15.154 631 2HB PRO 75 2HB PRO 75 -0.281 34.551 13.552 632 1HG PRO 75 1HG PRO 75 0.247 31.650 14.269 633 2HG PRO 75 2HG PRO 75 -0.768 32.298 12.949 634 1HD PRO 75 1HD PRO 75 1.804 31.535 12.513 635 2HD PRO 75 2HD PRO 75 1.153 33.002 11.714 636 H HIS 76 H HIS 76 1.421 35.227 16.806 637 HA HIS 76 HA HIS 76 1.850 32.898 18.451 638 1HB HIS 76 1HB HIS 76 4.011 33.570 19.442 639 2HB HIS 76 2HB HIS 76 4.172 33.146 17.749 640 HD1 HIS 76 HD1 HIS 76 4.327 36.102 20.088 641 HD2 HIS 76 HD2 HIS 76 4.931 35.240 16.044 642 HE1 HIS 76 HE1 HIS 76 5.483 38.127 19.050 643 H LEU 77 H LEU 77 -0.216 34.779 18.379 644 HA LEU 77 HA LEU 77 0.227 36.589 20.678 645 1HB LEU 77 1HB LEU 77 -2.181 36.192 18.899 646 2HB LEU 77 2HB LEU 77 -1.986 37.478 20.085 647 HG LEU 77 HG LEU 77 -0.390 37.106 17.512 648 1HD1 LEU 77 1HD1 LEU 77 -2.276 39.306 18.461 649 2HD1 LEU 77 2HD1 LEU 77 -1.392 39.278 16.919 650 3HD1 LEU 77 3HD1 LEU 77 -2.646 38.072 17.239 651 1HD2 LEU 77 1HD2 LEU 77 0.691 39.290 18.120 652 2HD2 LEU 77 2HD2 LEU 77 -0.014 39.152 19.745 653 3HD2 LEU 77 3HD2 LEU 77 1.183 37.964 19.174 654 HA PRO 78 HA PRO 78 -1.615 33.743 23.500 655 1HB PRO 78 1HB PRO 78 -2.470 35.324 25.525 656 2HB PRO 78 2HB PRO 78 -0.748 35.232 25.074 657 1HG PRO 78 1HG PRO 78 -2.768 37.309 24.158 658 2HG PRO 78 2HG PRO 78 -1.180 37.606 24.931 659 1HD PRO 78 1HD PRO 78 -1.454 37.639 22.240 660 2HD PRO 78 2HD PRO 78 -0.004 36.917 22.995 661 H ALA 79 H ALA 79 -3.705 33.572 24.981 662 HA ALA 79 HA ALA 79 -5.883 33.194 23.216 663 1HB ALA 79 1HB ALA 79 -5.694 33.004 26.241 664 2HB ALA 79 2HB ALA 79 -7.028 32.344 25.270 665 3HB ALA 79 3HB ALA 79 -5.390 31.700 25.075 666 HA PRO 80 HA PRO 80 -8.057 37.024 23.541 667 1HB PRO 80 1HB PRO 80 -10.544 36.375 22.732 668 2HB PRO 80 2HB PRO 80 -9.120 36.084 21.704 669 1HG PRO 80 1HG PRO 80 -10.395 34.065 23.603 670 2HG PRO 80 2HG PRO 80 -10.157 33.862 21.842 671 1HD PRO 80 1HD PRO 80 -8.313 32.928 23.523 672 2HD PRO 80 2HD PRO 80 -7.820 33.823 22.053 673 H LYS 81 H LYS 81 -7.569 36.586 26.109 674 HA LYS 81 HA LYS 81 -9.932 37.631 27.379 675 1HB LYS 81 1HB LYS 81 -10.084 35.950 29.160 676 2HB LYS 81 2HB LYS 81 -10.513 35.337 27.565 677 1HG LYS 81 1HG LYS 81 -9.398 33.605 28.600 678 2HG LYS 81 2HG LYS 81 -8.256 34.234 27.402 679 1HD LYS 81 1HD LYS 81 -6.896 35.235 29.139 680 2HD LYS 81 2HD LYS 81 -8.207 35.113 30.324 681 1HE LYS 81 1HE LYS 81 -6.470 33.462 30.786 682 2HE LYS 81 2HE LYS 81 -8.024 32.698 30.419 683 1HZ LYS 81 1HZ LYS 81 -7.226 32.276 28.208 684 2HZ LYS 81 2HZ LYS 81 -5.778 32.994 28.544 685 3HZ LYS 81 3HZ LYS 81 -6.214 31.608 29.322 686 H TRP 82 H TRP 82 -7.562 38.660 26.673 687 HA TRP 82 HA TRP 82 -6.118 39.208 29.237 688 1HB TRP 82 1HB TRP 82 -5.434 39.583 26.293 689 2HB TRP 82 2HB TRP 82 -4.602 40.443 27.584 690 HD1 TRP 82 HD1 TRP 82 -5.487 36.675 27.624 691 HE1 TRP 82 HE1 TRP 82 -3.302 35.339 27.916 692 HE3 TRP 82 HE3 TRP 82 -2.108 40.526 27.424 693 HZ2 TRP 82 HZ2 TRP 82 -0.502 35.854 28.043 694 HZ3 TRP 82 HZ3 TRP 82 0.312 40.060 27.630 695 HH2 TRP 82 HH2 TRP 82 1.127 37.734 27.940 696 H PHE 83 H PHE 83 -7.958 40.563 26.516 697 HA PHE 83 HA PHE 83 -8.572 43.000 28.103 698 1HB PHE 83 1HB PHE 83 -7.839 42.958 25.167 699 2HB PHE 83 2HB PHE 83 -8.160 44.385 26.158 700 HD1 PHE 83 HD1 PHE 83 -6.531 44.757 28.204 701 HD2 PHE 83 HD2 PHE 83 -5.617 42.246 24.815 702 HE1 PHE 83 HE1 PHE 83 -4.112 44.931 28.720 703 HE2 PHE 83 HE2 PHE 83 -3.204 42.425 25.338 704 HZ PHE 83 HZ PHE 83 -2.445 43.765 27.290 705 H ASP 84 H ASP 84 -10.222 40.835 28.052 706 HA ASP 84 HA ASP 84 -12.033 40.078 26.368 707 1HB ASP 84 1HB ASP 84 -12.500 41.205 29.221 708 2HB ASP 84 2HB ASP 84 -13.668 40.192 28.412 709 H GLY 85 H GLY 85 -12.341 41.683 24.618 710 1HA GLY 85 1HA GLY 85 -14.744 43.000 24.509 711 2HA GLY 85 2HA GLY 85 -13.527 44.214 24.984 712 H GLN 86 H GLN 86 -13.426 45.272 22.829 713 HA GLN 86 HA GLN 86 -13.280 43.803 20.433 714 1HB GLN 86 1HB GLN 86 -12.334 46.637 21.067 715 2HB GLN 86 2HB GLN 86 -12.493 45.967 19.434 716 1HG GLN 86 1HG GLN 86 -14.913 45.551 19.837 717 2HG GLN 86 2HG GLN 86 -14.783 46.336 21.420 718 1HE2 GLN 86 1HE2 GLN 86 -13.830 48.647 21.372 719 2HE2 GLN 86 2HE2 GLN 86 -14.336 49.653 20.030 720 H ARG 87 H ARG 87 -10.801 44.370 22.723 721 HA ARG 87 HA ARG 87 -8.730 43.652 20.735 722 1HB ARG 87 1HB ARG 87 -8.777 44.775 23.605 723 2HB ARG 87 2HB ARG 87 -7.343 43.879 23.147 724 1HG ARG 87 1HG ARG 87 -8.421 46.114 21.392 725 2HG ARG 87 2HG ARG 87 -7.298 46.421 22.725 726 1HD ARG 87 1HD ARG 87 -5.543 45.202 21.785 727 2HD ARG 87 2HD ARG 87 -6.571 44.268 20.710 728 HE ARG 87 HE ARG 87 -5.312 46.776 20.151 729 1HH1 ARG 87 1HH1 ARG 87 -8.389 45.098 19.456 730 2HH1 ARG 87 2HH1 ARG 87 -8.259 45.431 17.733 731 1HH2 ARG 87 1HH2 ARG 87 -5.325 47.260 17.832 732 2HH2 ARG 87 2HH2 ARG 87 -6.642 46.585 16.877 733 H ALA 88 H ALA 88 -10.880 42.026 22.600 734 HA ALA 88 HA ALA 88 -9.146 39.640 22.847 735 1HB ALA 88 1HB ALA 88 -10.606 40.073 24.710 736 2HB ALA 88 2HB ALA 88 -12.043 39.980 23.641 737 3HB ALA 88 3HB ALA 88 -11.027 38.558 23.894 738 H ALA 89 H ALA 89 -11.760 41.103 21.127 739 HA ALA 89 HA ALA 89 -12.528 38.898 19.462 740 1HB ALA 89 1HB ALA 89 -13.841 40.534 18.236 741 2HB ALA 89 2HB ALA 89 -14.020 40.802 19.979 742 3HB ALA 89 3HB ALA 89 -12.974 41.871 19.019 743 H GLU 90 H GLU 90 -10.700 41.851 18.713 744 HA GLU 90 HA GLU 90 -9.821 40.869 16.125 745 1HB GLU 90 1HB GLU 90 -10.216 43.275 16.824 746 2HB GLU 90 2HB GLU 90 -8.733 43.181 17.787 747 1HG GLU 90 1HG GLU 90 -7.385 42.961 15.780 748 2HG GLU 90 2HG GLU 90 -8.821 42.660 14.786 749 H ASN 91 H ASN 91 -8.802 39.859 19.125 750 HA ASN 91 HA ASN 91 -5.982 39.437 18.287 751 1HB ASN 91 1HB ASN 91 -6.446 39.818 20.775 752 2HB ASN 91 2HB ASN 91 -7.628 38.519 20.784 753 1HD2 ASN 91 1HD2 ASN 91 -6.246 37.779 22.610 754 2HD2 ASN 91 2HD2 ASN 91 -4.907 36.725 22.183 755 H ARG 92 H ARG 92 -8.854 37.391 19.203 756 HA ARG 92 HA ARG 92 -7.723 35.119 17.876 757 1HB ARG 92 1HB ARG 92 -9.891 34.042 18.231 758 2HB ARG 92 2HB ARG 92 -9.358 34.898 19.681 759 1HG ARG 92 1HG ARG 92 -10.839 36.850 18.910 760 2HG ARG 92 2HG ARG 92 -11.511 35.748 17.692 761 1HD ARG 92 1HD ARG 92 -12.315 34.266 19.481 762 2HD ARG 92 2HD ARG 92 -11.464 35.266 20.677 763 HE ARG 92 HE ARG 92 -13.521 36.545 18.983 764 1HH1 ARG 92 1HH1 ARG 92 -12.703 35.299 22.226 765 2HH1 ARG 92 2HH1 ARG 92 -13.916 36.250 23.024 766 1HH2 ARG 92 1HH2 ARG 92 -15.124 37.762 20.064 767 2HH2 ARG 92 2HH2 ARG 92 -15.317 37.631 21.788 768 H GLN 93 H GLN 93 -9.819 37.676 16.769 769 HA GLN 93 HA GLN 93 -10.354 36.345 14.206 770 1HB GLN 93 1HB GLN 93 -10.896 39.196 15.042 771 2HB GLN 93 2HB GLN 93 -11.398 38.464 13.518 772 1HG GLN 93 1HG GLN 93 -12.748 36.789 14.647 773 2HG GLN 93 2HG GLN 93 -12.304 37.423 16.232 774 1HE2 GLN 93 1HE2 GLN 93 -12.504 40.154 15.982 775 2HE2 GLN 93 2HE2 GLN 93 -14.150 40.594 15.562 776 H GLY 94 H GLY 94 -7.542 37.713 15.368 777 1HA GLY 94 1HA GLY 94 -6.635 38.558 12.621 778 2HA GLY 94 2HA GLY 94 -5.955 39.131 14.144 779 H THR 95 H THR 95 -5.832 36.805 15.618 780 HA THR 95 HA THR 95 -3.471 35.525 14.695 781 HB THR 95 HB THR 95 -5.571 34.736 16.822 782 HG1 THR 95 HG1 THR 95 -4.663 36.602 17.415 783 1HG2 THR 95 1HG2 THR 95 -2.716 33.621 16.588 784 2HG2 THR 95 2HG2 THR 95 -3.790 33.390 17.967 785 3HG2 THR 95 3HG2 THR 95 -4.214 32.693 16.411 786 H LEU 96 H LEU 96 -6.858 34.381 14.778 787 HA LEU 96 HA LEU 96 -5.968 31.930 13.587 788 1HB LEU 96 1HB LEU 96 -8.235 32.152 14.725 789 2HB LEU 96 2HB LEU 96 -8.752 33.187 13.389 790 HG LEU 96 HG LEU 96 -8.059 31.139 11.788 791 1HD1 LEU 96 1HD1 LEU 96 -8.290 28.978 13.034 792 2HD1 LEU 96 2HD1 LEU 96 -6.875 29.860 13.672 793 3HD1 LEU 96 3HD1 LEU 96 -8.431 29.902 14.525 794 1HD2 LEU 96 1HD2 LEU 96 -10.318 30.429 13.494 795 2HD2 LEU 96 2HD2 LEU 96 -10.369 31.923 12.480 796 3HD2 LEU 96 3HD2 LEU 96 -10.042 30.357 11.767 797 H THR 97 H THR 97 -7.513 34.809 12.361 798 HA THR 97 HA THR 97 -7.649 34.301 9.605 799 HB THR 97 HB THR 97 -7.195 36.825 11.269 800 HG1 THR 97 HG1 THR 97 -9.299 37.077 10.947 801 1HG2 THR 97 1HG2 THR 97 -6.077 37.465 9.325 802 2HG2 THR 97 2HG2 THR 97 -7.413 36.881 8.291 803 3HG2 THR 97 3HG2 THR 97 -7.650 38.259 9.405 804 H GLU 98 H GLU 98 -4.818 35.234 11.462 805 HA GLU 98 HA GLU 98 -3.281 35.322 8.943 806 1HB GLU 98 1HB GLU 98 -2.963 37.028 10.860 807 2HB GLU 98 2HB GLU 98 -2.324 35.690 11.834 808 1HG GLU 98 1HG GLU 98 -0.545 35.371 10.101 809 2HG GLU 98 2HG GLU 98 -1.225 36.747 9.201 810 H TYR 99 H TYR 99 -3.670 33.238 11.782 811 HA TYR 99 HA TYR 99 -1.517 31.717 10.918 812 1HB TYR 99 1HB TYR 99 -2.952 31.229 13.181 813 2HB TYR 99 2HB TYR 99 -3.824 30.153 12.158 814 HD1 TYR 99 HD1 TYR 99 -0.214 30.151 11.017 815 HD2 TYR 99 HD2 TYR 99 -2.922 28.471 13.981 816 HE1 TYR 99 HE1 TYR 99 1.368 28.366 11.478 817 HE2 TYR 99 HE2 TYR 99 -1.236 26.683 14.378 818 HH TYR 99 HH TYR 99 0.744 25.851 13.847 819 H CYS 100 H CYS 100 -4.925 31.548 9.937 820 HA CYS 100 HA CYS 100 -4.568 29.083 8.506 821 1HB CYS 100 1HB CYS 100 -6.856 30.169 8.962 822 2HB CYS 100 2HB CYS 100 -6.450 31.419 7.763 823 HG CYS 100 HG CYS 100 -6.050 29.760 5.779 824 H SER 101 H SER 101 -4.230 32.478 7.450 825 HA SER 101 HA SER 101 -3.393 31.719 4.803 826 1HB SER 101 1HB SER 101 -2.777 34.230 6.451 827 2HB SER 101 2HB SER 101 -2.585 34.087 4.692 828 HG SER 101 HG SER 101 -4.856 33.643 4.602 829 H THR 102 H THR 102 -1.624 32.008 7.798 830 HA THR 102 HA THR 102 0.971 31.866 6.534 831 HB THR 102 HB THR 102 0.168 32.019 9.465 832 HG1 THR 102 HG1 THR 102 -0.429 33.842 8.365 833 1HG2 THR 102 1HG2 THR 102 2.884 32.346 8.179 834 2HG2 THR 102 2HG2 THR 102 2.396 33.054 9.717 835 3HG2 THR 102 3HG2 THR 102 2.392 31.285 9.546 836 H LEU 103 H LEU 103 -0.993 29.570 8.286 837 HA LEU 103 HA LEU 103 1.026 27.581 8.357 838 1HB LEU 103 1HB LEU 103 -1.845 27.801 8.914 839 2HB LEU 103 2HB LEU 103 -1.777 26.491 8.005 840 HG LEU 103 HG LEU 103 -0.110 26.452 10.518 841 1HD1 LEU 103 1HD1 LEU 103 -3.014 25.866 10.279 842 2HD1 LEU 103 2HD1 LEU 103 -2.027 25.537 11.725 843 3HD1 LEU 103 3HD1 LEU 103 -2.335 27.203 11.206 844 1HD2 LEU 103 1HD2 LEU 103 -0.714 24.107 10.673 845 2HD2 LEU 103 2HD2 LEU 103 -1.918 24.235 9.442 846 3HD2 LEU 103 3HD2 LEU 103 -0.193 24.284 8.998 847 H MET 104 H MET 104 -1.172 28.707 5.872 848 HA MET 104 HA MET 104 -0.268 26.737 3.831 849 1HB MET 104 1HB MET 104 -2.241 29.042 3.940 850 2HB MET 104 2HB MET 104 -1.918 28.076 2.485 851 1HG MET 104 1HG MET 104 -3.071 27.015 5.100 852 2HG MET 104 2HG MET 104 -3.942 27.349 3.604 853 1HE MET 104 1HE MET 104 -0.910 25.194 5.060 854 2HE MET 104 2HE MET 104 -2.408 24.537 5.691 855 3HE MET 104 3HE MET 104 -1.432 23.622 4.512 856 H SER 105 H SER 105 0.941 29.532 5.048 857 HA SER 105 HA SER 105 2.181 30.277 2.464 858 1HB SER 105 1HB SER 105 1.344 32.192 4.264 859 2HB SER 105 2HB SER 105 2.752 31.631 5.162 860 HG SER 105 HG SER 105 3.161 33.392 3.761 861 H LEU 106 H LEU 106 3.188 29.298 5.807 862 HA LEU 106 HA LEU 106 5.582 29.424 5.731 863 1HB LEU 106 1HB LEU 106 4.019 27.003 6.657 864 2HB LEU 106 2HB LEU 106 5.671 27.355 7.096 865 HG LEU 106 HG LEU 106 3.244 28.562 8.212 866 1HD1 LEU 106 1HD1 LEU 106 4.563 26.865 9.272 867 2HD1 LEU 106 2HD1 LEU 106 5.973 27.943 9.294 868 3HD1 LEU 106 3HD1 LEU 106 4.512 28.372 10.219 869 1HD2 LEU 106 1HD2 LEU 106 5.878 30.105 8.079 870 2HD2 LEU 106 2HD2 LEU 106 4.347 30.641 7.333 871 3HD2 LEU 106 3HD2 LEU 106 4.481 30.503 9.087 872 HA PRO 107 HA PRO 107 7.635 26.992 2.730 873 1HB PRO 107 1HB PRO 107 10.225 27.313 3.337 874 2HB PRO 107 2HB PRO 107 9.221 28.717 2.835 875 1HG PRO 107 1HG PRO 107 9.994 27.860 5.653 876 2HG PRO 107 2HG PRO 107 10.042 29.510 4.978 877 1HD PRO 107 1HD PRO 107 7.971 28.403 6.490 878 2HD PRO 107 2HD PRO 107 7.795 29.814 5.396 879 H THR 108 H THR 108 7.423 26.257 5.888 880 HA THR 108 HA THR 108 8.939 23.661 5.964 881 HB THR 108 HB THR 108 7.201 23.871 8.138 882 HG1 THR 108 HG1 THR 108 7.820 26.223 8.732 883 1HG2 THR 108 1HG2 THR 108 9.043 24.532 9.498 884 2HG2 THR 108 2HG2 THR 108 9.658 23.445 8.244 885 3HG2 THR 108 3HG2 THR 108 9.874 25.208 8.075 886 H LYS 109 H LYS 109 7.409 23.905 3.767 887 HA LYS 109 HA LYS 109 5.003 22.451 4.292 888 1HB LYS 109 1HB LYS 109 6.669 23.274 1.885 889 2HB LYS 109 2HB LYS 109 6.025 21.675 1.638 890 1HG LYS 109 1HG LYS 109 4.479 23.215 0.683 891 2HG LYS 109 2HG LYS 109 3.703 22.561 2.139 892 1HD LYS 109 1HD LYS 109 4.372 24.585 3.401 893 2HD LYS 109 2HD LYS 109 5.234 25.194 1.970 894 1HE LYS 109 1HE LYS 109 3.103 25.348 0.729 895 2HE LYS 109 2HE LYS 109 2.225 24.717 2.138 896 1HZ LYS 109 1HZ LYS 109 3.803 27.205 2.120 897 2HZ LYS 109 2HZ LYS 109 2.154 27.132 2.012 898 3HZ LYS 109 3HZ LYS 109 2.940 26.618 3.371 899 H ILE 110 H ILE 110 8.064 21.405 4.745 900 HA ILE 110 HA ILE 110 7.401 18.562 4.271 901 HB ILE 110 HB ILE 110 9.945 19.845 5.373 902 1HG1 ILE 110 1HG1 ILE 110 9.318 18.826 2.558 903 2HG1 ILE 110 2HG1 ILE 110 9.469 20.526 3.024 904 1HG2 ILE 110 1HG2 ILE 110 9.696 17.475 6.067 905 2HG2 ILE 110 2HG2 ILE 110 9.449 17.005 4.371 906 3HG2 ILE 110 3HG2 ILE 110 11.009 17.654 4.920 907 1HD1 ILE 110 1HD1 ILE 110 11.704 18.478 2.983 908 2HD1 ILE 110 2HD1 ILE 110 11.508 19.924 1.988 909 3HD1 ILE 110 3HD1 ILE 110 11.840 20.095 3.722 910 H SER 111 H SER 111 7.691 20.826 6.977 911 HA SER 111 HA SER 111 7.147 18.608 8.851 912 1HB SER 111 1HB SER 111 7.408 20.302 10.618 913 2HB SER 111 2HB SER 111 8.845 20.131 9.590 914 HG SER 111 HG SER 111 8.251 22.317 9.974 915 H ARG 112 H ARG 112 5.744 21.506 7.513 916 HA ARG 112 HA ARG 112 3.259 21.338 8.987 917 1HB ARG 112 1HB ARG 112 4.389 23.186 6.912 918 2HB ARG 112 2HB ARG 112 2.657 22.979 6.870 919 1HG ARG 112 1HG ARG 112 3.473 24.854 8.268 920 2HG ARG 112 2HG ARG 112 2.380 23.714 9.068 921 1HD ARG 112 1HD ARG 112 4.233 22.728 10.350 922 2HD ARG 112 2HD ARG 112 5.414 23.475 9.282 923 HE ARG 112 HE ARG 112 5.422 25.290 10.604 924 1HH1 ARG 112 1HH1 ARG 112 2.284 23.689 11.079 925 2HH1 ARG 112 2HH1 ARG 112 1.614 25.038 11.970 926 1HH2 ARG 112 1HH2 ARG 112 4.531 26.991 11.865 927 2HH2 ARG 112 2HH2 ARG 112 2.859 26.871 12.394 928 H CYS 113 H CYS 113 4.379 19.619 6.224 929 HA CYS 113 HA CYS 113 1.756 19.159 5.127 930 1HB CYS 113 1HB CYS 113 3.463 18.580 3.684 931 2HB CYS 113 2HB CYS 113 4.356 17.624 4.873 932 HG CYS 113 HG CYS 113 1.389 17.087 3.529 933 HA PRO 114 HA PRO 114 1.193 15.444 7.965 934 1HB PRO 114 1HB PRO 114 3.065 14.724 9.883 935 2HB PRO 114 2HB PRO 114 3.120 14.104 8.206 936 1HG PRO 114 1HG PRO 114 4.624 16.480 9.342 937 2HG PRO 114 2HG PRO 114 5.290 15.125 8.386 938 1HD PRO 114 1HD PRO 114 4.661 17.456 7.198 939 2HD PRO 114 2HD PRO 114 4.249 15.907 6.398 940 H HIS 115 H HIS 115 2.804 18.187 9.516 941 HA HIS 115 HA HIS 115 1.178 17.804 11.797 942 1HB HIS 115 1HB HIS 115 3.207 19.373 11.606 943 2HB HIS 115 2HB HIS 115 2.009 20.602 11.171 944 HD1 HIS 115 HD1 HIS 115 1.655 17.769 13.784 945 HD2 HIS 115 HD2 HIS 115 1.867 21.962 13.680 946 HE1 HIS 115 HE1 HIS 115 1.227 18.634 16.137 947 H LEU 116 H LEU 116 0.568 20.032 8.938 948 HA LEU 116 HA LEU 116 -1.758 20.747 9.880 949 1HB LEU 116 1HB LEU 116 -0.611 21.629 7.713 950 2HB LEU 116 2HB LEU 116 -1.374 20.292 6.846 951 HG LEU 116 HG LEU 116 -2.453 22.837 7.929 952 1HD1 LEU 116 1HD1 LEU 116 -3.811 20.874 5.910 953 2HD1 LEU 116 2HD1 LEU 116 -4.120 22.593 5.999 954 3HD1 LEU 116 3HD1 LEU 116 -2.599 21.981 5.305 955 1HD2 LEU 116 1HD2 LEU 116 -4.417 20.662 7.972 956 2HD2 LEU 116 2HD2 LEU 116 -3.578 21.477 9.332 957 3HD2 LEU 116 3HD2 LEU 116 -4.537 22.423 8.236 958 H LEU 117 H LEU 117 -1.064 17.960 7.759 959 HA LEU 117 HA LEU 117 -3.744 16.944 7.460 960 1HB LEU 117 1HB LEU 117 -1.045 15.525 7.567 961 2HB LEU 117 2HB LEU 117 -2.565 14.684 7.425 962 HG LEU 117 HG LEU 117 -2.746 16.413 5.170 963 1HD1 LEU 117 1HD1 LEU 117 -0.632 17.275 5.128 964 2HD1 LEU 117 2HD1 LEU 117 0.132 15.706 5.587 965 3HD1 LEU 117 3HD1 LEU 117 -0.636 15.933 4.002 966 1HD2 LEU 117 1HD2 LEU 117 -1.477 13.721 5.150 967 2HD2 LEU 117 2HD2 LEU 117 -3.224 13.951 5.503 968 3HD2 LEU 117 3HD2 LEU 117 -2.566 14.544 3.999 969 H ASP 118 H ASP 118 -1.494 16.556 10.122 970 HA ASP 118 HA ASP 118 -3.483 15.001 11.643 971 1HB ASP 118 1HB ASP 118 -0.770 15.239 11.885 972 2HB ASP 118 2HB ASP 118 -1.208 16.579 12.943 973 H PHE 119 H PHE 119 -3.413 18.250 10.948 974 HA PHE 119 HA PHE 119 -4.430 19.282 13.526 975 1HB PHE 119 1HB PHE 119 -2.983 20.465 11.491 976 2HB PHE 119 2HB PHE 119 -4.587 20.622 10.799 977 HD1 PHE 119 HD1 PHE 119 -4.202 23.219 10.313 978 HD2 PHE 119 HD2 PHE 119 -4.183 21.352 14.216 979 HE1 PHE 119 HE1 PHE 119 -4.627 25.322 11.384 980 HE2 PHE 119 HE2 PHE 119 -4.593 23.556 15.276 981 HZ PHE 119 HZ PHE 119 -4.821 25.561 13.822 982 H PHE 120 H PHE 120 -5.301 18.405 10.362 983 HA PHE 120 HA PHE 120 -8.222 18.865 10.714 984 1HB PHE 120 1HB PHE 120 -6.277 18.045 8.413 985 2HB PHE 120 2HB PHE 120 -8.016 18.236 8.220 986 HD1 PHE 120 HD1 PHE 120 -6.876 19.578 6.364 987 HD2 PHE 120 HD2 PHE 120 -6.985 20.828 10.426 988 HE1 PHE 120 HE1 PHE 120 -6.816 21.962 5.606 989 HE2 PHE 120 HE2 PHE 120 -6.922 23.214 9.721 990 HZ PHE 120 HZ PHE 120 -6.865 23.765 7.330 991 H LYS 121 H LYS 121 -6.216 16.119 9.637 992 HA LYS 121 HA LYS 121 -8.417 14.391 9.411 993 1HB LYS 121 1HB LYS 121 -7.070 12.692 8.867 994 2HB LYS 121 2HB LYS 121 -6.079 14.096 8.446 995 1HG LYS 121 1HG LYS 121 -5.107 13.800 10.834 996 2HG LYS 121 2HG LYS 121 -5.855 12.205 10.817 997 1HD LYS 121 1HD LYS 121 -3.682 13.262 8.941 998 2HD LYS 121 2HD LYS 121 -3.504 12.090 10.238 999 1HE LYS 121 1HE LYS 121 -3.523 10.730 8.362 1000 2HE LYS 121 2HE LYS 121 -5.195 10.609 8.928 1001 1HZ LYS 121 1HZ LYS 121 -4.192 12.328 6.746 1002 2HZ LYS 121 2HZ LYS 121 -5.037 10.937 6.559 1003 3HZ LYS 121 3HZ LYS 121 -5.763 12.248 7.240 1004 H VAL 122 H VAL 122 -6.783 15.485 12.229 1005 HA VAL 122 HA VAL 122 -7.921 13.365 13.921 1006 HB VAL 122 HB VAL 122 -6.056 15.617 14.677 1007 1HG1 VAL 122 1HG1 VAL 122 -5.628 14.191 16.658 1008 2HG1 VAL 122 2HG1 VAL 122 -7.318 14.713 16.604 1009 3HG1 VAL 122 3HG1 VAL 122 -6.885 13.058 16.121 1010 1HG2 VAL 122 1HG2 VAL 122 -4.990 14.170 13.047 1011 2HG2 VAL 122 2HG2 VAL 122 -4.388 13.691 14.634 1012 3HG2 VAL 122 3HG2 VAL 122 -5.632 12.713 13.815 1013 H ARG 123 H ARG 123 -8.001 17.002 13.815 1014 HA ARG 123 HA ARG 123 -9.431 18.316 15.156 1015 1HB ARG 123 1HB ARG 123 -10.964 16.922 12.990 1016 2HB ARG 123 2HB ARG 123 -11.729 18.184 13.981 1017 1HG ARG 123 1HG ARG 123 -9.065 18.524 12.614 1018 2HG ARG 123 2HG ARG 123 -10.576 19.022 11.887 1019 1HD ARG 123 1HD ARG 123 -10.792 20.188 14.369 1020 2HD ARG 123 2HD ARG 123 -9.054 20.241 14.200 1021 HE ARG 123 HE ARG 123 -11.119 21.644 12.651 1022 1HH1 ARG 123 1HH1 ARG 123 -7.652 20.983 13.048 1023 2HH1 ARG 123 2HH1 ARG 123 -7.144 22.289 12.029 1024 1HH2 ARG 123 1HH2 ARG 123 -10.452 23.033 10.923 1025 2HH2 ARG 123 2HH2 ARG 123 -8.769 23.253 10.576 1026 HA PRO 124 HA PRO 124 -11.434 15.811 18.271 1027 1HB PRO 124 1HB PRO 124 -10.375 16.867 20.552 1028 2HB PRO 124 2HB PRO 124 -9.367 15.865 19.471 1029 1HG PRO 124 1HG PRO 124 -9.592 18.887 19.472 1030 2HG PRO 124 2HG PRO 124 -8.093 17.914 19.576 1031 1HD PRO 124 1HD PRO 124 -9.075 18.941 17.233 1032 2HD PRO 124 2HD PRO 124 -8.203 17.378 17.275 1033 H ASP 125 H ASP 125 -12.614 17.554 16.819 1034 HA ASP 125 HA ASP 125 -14.788 18.193 18.435 1035 1HB ASP 125 1HB ASP 125 -13.428 20.393 16.722 1036 2HB ASP 125 2HB ASP 125 -15.054 20.592 17.422 1037 H ASP 126 H ASP 126 -13.501 17.249 15.554 1038 HA ASP 126 HA ASP 126 -16.027 17.584 14.065 1039 1HB ASP 126 1HB ASP 126 -13.954 18.023 12.781 1040 2HB ASP 126 2HB ASP 126 -13.264 16.488 13.330 1041 H LEU 127 H LEU 127 -13.687 15.030 15.134 1042 HA LEU 127 HA LEU 127 -15.964 13.183 15.495 1043 1HB LEU 127 1HB LEU 127 -13.444 12.926 13.741 1044 2HB LEU 127 2HB LEU 127 -14.214 11.462 14.192 1045 HG LEU 127 HG LEU 127 -15.874 13.527 12.537 1046 1HD1 LEU 127 1HD1 LEU 127 -14.526 10.916 11.783 1047 2HD1 LEU 127 2HD1 LEU 127 -15.564 11.946 10.770 1048 3HD1 LEU 127 3HD1 LEU 127 -13.977 12.544 11.299 1049 1HD2 LEU 127 1HD2 LEU 127 -16.382 10.651 13.424 1050 2HD2 LEU 127 2HD2 LEU 127 -17.258 12.085 14.003 1051 3HD2 LEU 127 3HD2 LEU 127 -17.364 11.611 12.307 1052 H LYS 128 H LYS 128 -13.938 14.725 17.241 1053 HA LYS 128 HA LYS 128 -13.468 12.456 18.944 1054 1HB LYS 128 1HB LYS 128 -11.175 13.964 17.539 1055 2HB LYS 128 2HB LYS 128 -10.904 13.432 19.184 1056 1HG LYS 128 1HG LYS 128 -10.206 11.501 18.273 1057 2HG LYS 128 2HG LYS 128 -11.887 11.125 17.904 1058 1HD LYS 128 1HD LYS 128 -11.489 12.579 15.743 1059 2HD LYS 128 2HD LYS 128 -9.773 12.470 16.178 1060 1HE LYS 128 1HE LYS 128 -9.874 10.012 15.999 1061 2HE LYS 128 2HE LYS 128 -11.608 10.102 15.625 1062 1HZ LYS 128 1HZ LYS 128 -9.457 11.283 13.994 1063 2HZ LYS 128 2HZ LYS 128 -10.290 9.908 13.641 1064 3HZ LYS 128 3HZ LYS 128 -11.064 11.360 13.665 1065 H LEU 129 H LEU 129 -15.171 14.471 18.937 1066 HA LEU 129 HA LEU 129 -14.781 16.645 20.646 1067 1HB LEU 129 1HB LEU 129 -17.084 14.675 20.071 1068 2HB LEU 129 2HB LEU 129 -17.404 16.107 20.970 1069 HG LEU 129 HG LEU 129 -16.263 16.488 18.092 1070 1HD1 LEU 129 1HD1 LEU 129 -18.539 16.412 17.304 1071 2HD1 LEU 129 2HD1 LEU 129 -18.013 14.825 17.897 1072 3HD1 LEU 129 3HD1 LEU 129 -19.108 15.821 18.888 1073 1HD2 LEU 129 1HD2 LEU 129 -18.282 17.944 19.888 1074 2HD2 LEU 129 2HD2 LEU 129 -16.580 18.416 19.724 1075 3HD2 LEU 129 3HD2 LEU 129 -17.676 18.494 18.324 1076 HA PRO 130 HA PRO 130 -14.704 14.922 24.731 1077 1HB PRO 130 1HB PRO 130 -17.318 16.149 25.564 1078 2HB PRO 130 2HB PRO 130 -15.715 16.290 26.339 1079 1HG PRO 130 1HG PRO 130 -16.687 18.358 24.884 1080 2HG PRO 130 2HG PRO 130 -14.982 17.844 24.644 1081 1HD PRO 130 1HD PRO 130 -17.415 16.995 23.064 1082 2HD PRO 130 2HD PRO 130 -15.927 17.758 22.427 Start of MODEL 7 1 1H GLY 1 1H GLY 1 5.107 3.415 -3.754 2 2H GLY 1 2H GLY 1 3.606 3.184 -4.421 3 3H GLY 1 3H GLY 1 3.934 4.577 -3.620 4 1HA GLY 1 1HA GLY 1 3.828 1.908 -2.411 5 2HA GLY 1 2HA GLY 1 4.144 3.432 -1.551 6 H SER 2 H SER 2 2.130 2.415 -0.375 7 HA SER 2 HA SER 2 -0.415 2.583 -1.677 8 1HB SER 2 1HB SER 2 0.007 1.151 0.288 9 2HB SER 2 2HB SER 2 0.289 2.592 1.292 10 HG SER 2 HG SER 2 -1.867 1.754 1.425 11 H MET 3 H MET 3 -2.176 4.110 -0.932 12 HA MET 3 HA MET 3 -1.171 6.855 -0.364 13 1HB MET 3 1HB MET 3 -2.045 6.215 -2.759 14 2HB MET 3 2HB MET 3 -3.638 6.160 -2.016 15 1HG MET 3 1HG MET 3 -3.073 8.298 -3.179 16 2HG MET 3 2HG MET 3 -3.541 8.529 -1.506 17 1HE MET 3 1HE MET 3 0.059 7.126 -2.276 18 2HE MET 3 2HE MET 3 -0.372 7.952 -3.789 19 3HE MET 3 3HE MET 3 0.916 8.602 -2.737 20 H GLY 4 H GLY 4 -2.093 4.643 1.395 21 1HA GLY 4 1HA GLY 4 -4.678 5.509 2.514 22 2HA GLY 4 2HA GLY 4 -3.595 4.251 3.154 23 H ASP 5 H ASP 5 -3.456 7.709 2.485 24 HA ASP 5 HA ASP 5 -3.470 8.576 5.117 25 1HB ASP 5 1HB ASP 5 -0.983 7.532 5.048 26 2HB ASP 5 2HB ASP 5 -0.607 8.731 3.835 27 H THR 6 H THR 6 -2.117 9.056 1.944 28 HA THR 6 HA THR 6 -1.807 10.711 0.496 29 HB THR 6 HB THR 6 -4.147 9.818 0.195 30 HG1 THR 6 HG1 THR 6 -4.449 11.343 -1.439 31 1HG2 THR 6 1HG2 THR 6 -5.865 11.382 0.523 32 2HG2 THR 6 2HG2 THR 6 -5.026 11.110 2.093 33 3HG2 THR 6 3HG2 THR 6 -4.777 12.617 1.184 34 H PHE 7 H PHE 7 -3.032 13.165 0.099 35 HA PHE 7 HA PHE 7 -1.861 14.795 2.300 36 1HB PHE 7 1HB PHE 7 -0.986 14.992 -0.554 37 2HB PHE 7 2HB PHE 7 -0.272 15.763 0.830 38 HD1 PHE 7 HD1 PHE 7 -0.410 12.459 -1.080 39 HD2 PHE 7 HD2 PHE 7 0.777 14.099 2.789 40 HE1 PHE 7 HE1 PHE 7 0.942 10.523 -0.618 41 HE2 PHE 7 HE2 PHE 7 2.098 12.133 3.181 42 HZ PHE 7 HZ PHE 7 2.218 10.319 1.494 43 H ILE 8 H ILE 8 -1.831 17.201 1.636 44 HA ILE 8 HA ILE 8 -4.627 17.736 0.899 45 HB ILE 8 HB ILE 8 -2.967 18.746 3.208 46 1HG1 ILE 8 1HG1 ILE 8 -5.611 17.296 2.754 47 2HG1 ILE 8 2HG1 ILE 8 -4.167 16.714 3.604 48 1HG2 ILE 8 1HG2 ILE 8 -3.935 20.791 2.255 49 2HG2 ILE 8 2HG2 ILE 8 -5.558 20.043 2.308 50 3HG2 ILE 8 3HG2 ILE 8 -4.642 20.388 3.791 51 1HD1 ILE 8 1HD1 ILE 8 -4.609 18.537 5.304 52 2HD1 ILE 8 2HD1 ILE 8 -6.136 18.844 4.411 53 3HD1 ILE 8 3HD1 ILE 8 -5.869 17.281 5.204 54 H ARG 9 H ARG 9 -5.285 19.811 0.242 55 HA ARG 9 HA ARG 9 -3.299 20.992 -1.608 56 1HB ARG 9 1HB ARG 9 -5.959 19.980 -2.043 57 2HB ARG 9 2HB ARG 9 -6.221 21.702 -1.967 58 1HG ARG 9 1HG ARG 9 -4.154 20.305 -3.730 59 2HG ARG 9 2HG ARG 9 -5.760 20.827 -4.256 60 1HD ARG 9 1HD ARG 9 -5.170 23.195 -3.836 61 2HD ARG 9 2HD ARG 9 -3.613 22.713 -3.172 62 HE ARG 9 HE ARG 9 -2.726 22.409 -5.220 63 1HH1 ARG 9 1HH1 ARG 9 -6.236 22.673 -5.612 64 2HH1 ARG 9 2HH1 ARG 9 -6.174 22.738 -7.352 65 1HH2 ARG 9 1HH2 ARG 9 -2.639 22.492 -7.500 66 2HH2 ARG 9 2HH2 ARG 9 -4.099 22.641 -8.436 67 H HIS 10 H HIS 10 -6.101 21.954 0.436 68 HA HIS 10 HA HIS 10 -4.567 23.949 1.744 69 1HB HIS 10 1HB HIS 10 -4.762 25.779 0.463 70 2HB HIS 10 2HB HIS 10 -5.279 24.776 -0.869 71 HD1 HIS 10 HD1 HIS 10 -6.121 27.875 0.180 72 HD2 HIS 10 HD2 HIS 10 -8.490 24.448 -0.200 73 HE1 HIS 10 HE1 HIS 10 -8.552 28.620 -0.049 74 H ILE 11 H ILE 11 -6.019 25.837 2.650 75 HA ILE 11 HA ILE 11 -8.350 24.596 3.897 76 HB ILE 11 HB ILE 11 -6.858 26.733 5.369 77 1HG1 ILE 11 1HG1 ILE 11 -5.973 23.849 5.508 78 2HG1 ILE 11 2HG1 ILE 11 -5.111 25.140 4.686 79 1HG2 ILE 11 1HG2 ILE 11 -9.068 25.844 6.160 80 2HG2 ILE 11 2HG2 ILE 11 -8.384 24.220 6.236 81 3HG2 ILE 11 3HG2 ILE 11 -7.814 25.502 7.322 82 1HD1 ILE 11 1HD1 ILE 11 -4.620 26.338 6.614 83 2HD1 ILE 11 2HD1 ILE 11 -5.694 25.392 7.648 84 3HD1 ILE 11 3HD1 ILE 11 -4.246 24.639 6.984 85 H ALA 12 H ALA 12 -10.179 25.954 4.335 86 HA ALA 12 HA ALA 12 -10.163 28.755 3.434 87 1HB ALA 12 1HB ALA 12 -12.417 28.292 2.405 88 2HB ALA 12 2HB ALA 12 -11.118 27.453 1.536 89 3HB ALA 12 3HB ALA 12 -12.159 26.557 2.653 90 H LEU 13 H LEU 13 -12.089 29.801 4.679 91 HA LEU 13 HA LEU 13 -12.849 28.100 6.904 92 1HB LEU 13 1HB LEU 13 -10.935 29.529 7.389 93 2HB LEU 13 2HB LEU 13 -11.881 30.977 7.238 94 HG LEU 13 HG LEU 13 -12.312 28.757 9.474 95 1HD1 LEU 13 1HD1 LEU 13 -9.979 29.483 9.331 96 2HD1 LEU 13 2HD1 LEU 13 -10.532 31.165 9.571 97 3HD1 LEU 13 3HD1 LEU 13 -10.925 29.895 10.755 98 1HD2 LEU 13 1HD2 LEU 13 -14.120 30.500 9.475 99 2HD2 LEU 13 2HD2 LEU 13 -13.083 30.435 10.899 100 3HD2 LEU 13 3HD2 LEU 13 -12.831 31.721 9.717 101 H LEU 14 H LEU 14 -14.894 28.308 7.708 102 HA LEU 14 HA LEU 14 -16.675 29.694 5.764 103 1HB LEU 14 1HB LEU 14 -16.752 27.098 7.122 104 2HB LEU 14 2HB LEU 14 -17.874 28.003 7.980 105 HG LEU 14 HG LEU 14 -18.951 28.672 5.710 106 1HD1 LEU 14 1HD1 LEU 14 -18.116 26.631 3.971 107 2HD1 LEU 14 2HD1 LEU 14 -17.642 28.322 3.859 108 3HD1 LEU 14 3HD1 LEU 14 -16.597 27.188 4.686 109 1HD2 LEU 14 1HD2 LEU 14 -18.829 25.735 6.483 110 2HD2 LEU 14 2HD2 LEU 14 -19.941 26.971 7.088 111 3HD2 LEU 14 3HD2 LEU 14 -20.035 26.461 5.395 112 H GLY 15 H GLY 15 -16.170 29.394 9.214 113 1HA GLY 15 1HA GLY 15 -16.489 32.177 9.690 114 2HA GLY 15 2HA GLY 15 -18.143 31.548 9.692 115 H PHE 16 H PHE 16 -18.798 31.713 11.768 116 HA PHE 16 HA PHE 16 -16.964 31.216 13.849 117 1HB PHE 16 1HB PHE 16 -18.759 33.044 13.638 118 2HB PHE 16 2HB PHE 16 -19.941 31.840 14.004 119 HD1 PHE 16 HD1 PHE 16 -16.797 31.255 15.990 120 HD2 PHE 16 HD2 PHE 16 -20.443 33.641 15.911 121 HE1 PHE 16 HE1 PHE 16 -16.530 31.775 18.313 122 HE2 PHE 16 HE2 PHE 16 -20.120 34.138 18.274 123 HZ PHE 16 HZ PHE 16 -18.167 33.216 19.503 124 H GLU 17 H GLU 17 -19.130 30.052 15.711 125 HA GLU 17 HA GLU 17 -20.619 27.921 14.800 126 1HB GLU 17 1HB GLU 17 -17.823 27.174 14.886 127 2HB GLU 17 2HB GLU 17 -18.674 26.357 16.192 128 1HG GLU 17 1HG GLU 17 -19.704 26.332 13.337 129 2HG GLU 17 2HG GLU 17 -18.484 25.204 13.921 130 H LYS 18 H LYS 18 -20.879 26.352 16.931 131 HA LYS 18 HA LYS 18 -20.865 27.881 19.293 132 1HB LYS 18 1HB LYS 18 -23.203 27.752 19.728 133 2HB LYS 18 2HB LYS 18 -22.864 28.742 18.313 134 1HG LYS 18 1HG LYS 18 -23.816 25.865 18.132 135 2HG LYS 18 2HG LYS 18 -24.907 27.249 18.219 136 1HD LYS 18 1HD LYS 18 -24.404 28.082 16.137 137 2HD LYS 18 2HD LYS 18 -22.845 27.296 16.060 138 1HE LYS 18 1HE LYS 18 -24.270 25.045 16.127 139 2HE LYS 18 2HE LYS 18 -25.559 26.106 15.525 140 1HZ LYS 18 1HZ LYS 18 -24.266 25.069 13.775 141 2HZ LYS 18 2HZ LYS 18 -23.998 26.702 13.737 142 3HZ LYS 18 3HZ LYS 18 -22.874 25.690 14.407 143 H ARG 19 H ARG 19 -20.523 26.520 20.958 144 HA ARG 19 HA ARG 19 -21.241 23.680 21.133 145 1HB ARG 19 1HB ARG 19 -18.437 24.896 21.260 146 2HB ARG 19 2HB ARG 19 -18.808 23.308 21.937 147 1HG ARG 19 1HG ARG 19 -19.095 24.012 18.989 148 2HG ARG 19 2HG ARG 19 -17.607 23.416 19.731 149 1HD ARG 19 1HD ARG 19 -18.793 21.402 20.561 150 2HD ARG 19 2HD ARG 19 -20.240 21.892 19.668 151 HE ARG 19 HE ARG 19 -17.645 20.900 18.622 152 1HH1 ARG 19 1HH1 ARG 19 -20.501 22.787 17.727 153 2HH1 ARG 19 2HH1 ARG 19 -20.253 22.544 16.023 154 1HH2 ARG 19 1HH2 ARG 19 -17.504 20.336 16.458 155 2HH2 ARG 19 2HH2 ARG 19 -18.738 20.853 15.328 156 H PHE 20 H PHE 20 -22.681 24.279 22.726 157 HA PHE 20 HA PHE 20 -21.742 25.985 24.800 158 1HB PHE 20 1HB PHE 20 -24.348 24.366 24.979 159 2HB PHE 20 2HB PHE 20 -24.318 26.035 25.243 160 HD1 PHE 20 HD1 PHE 20 -24.859 23.286 22.607 161 HD2 PHE 20 HD2 PHE 20 -24.456 27.657 22.896 162 HE1 PHE 20 HE1 PHE 20 -25.801 23.565 20.476 163 HE2 PHE 20 HE2 PHE 20 -25.421 27.825 20.746 164 HZ PHE 20 HZ PHE 20 -26.126 25.800 19.482 165 H VAL 21 H VAL 21 -21.861 22.604 24.239 166 HA VAL 21 HA VAL 21 -21.593 22.056 27.043 167 HB VAL 21 HB VAL 21 -22.985 19.826 26.113 168 1HG1 VAL 21 1HG1 VAL 21 -23.880 21.475 27.797 169 2HG1 VAL 21 2HG1 VAL 21 -24.416 22.484 26.438 170 3HG1 VAL 21 3HG1 VAL 21 -25.092 20.859 26.656 171 1HG2 VAL 21 1HG2 VAL 21 -22.680 20.303 23.876 172 2HG2 VAL 21 2HG2 VAL 21 -24.342 20.016 24.424 173 3HG2 VAL 21 3HG2 VAL 21 -23.820 21.678 24.041 174 HA PRO 22 HA PRO 22 -21.241 19.536 27.826 175 1HB PRO 22 1HB PRO 22 -19.188 18.412 29.211 176 2HB PRO 22 2HB PRO 22 -20.004 17.605 27.841 177 1HG PRO 22 1HG PRO 22 -17.455 19.233 27.762 178 2HG PRO 22 2HG PRO 22 -17.734 17.601 27.084 179 1HD PRO 22 1HD PRO 22 -17.930 19.905 25.631 180 2HD PRO 22 2HD PRO 22 -18.975 18.493 25.259 181 H SER 23 H SER 23 -18.900 21.818 27.233 182 HA SER 23 HA SER 23 -19.415 23.247 29.727 183 1HB SER 23 1HB SER 23 -16.636 22.661 28.428 184 2HB SER 23 2HB SER 23 -16.819 23.951 29.603 185 HG SER 23 HG SER 23 -16.180 21.913 30.495 186 H GLN 24 H GLN 24 -18.684 25.696 29.449 187 HA GLN 24 HA GLN 24 -20.015 26.568 27.085 188 1HB GLN 24 1HB GLN 24 -18.519 28.245 29.052 189 2HB GLN 24 2HB GLN 24 -19.831 28.666 27.978 190 1HG GLN 24 1HG GLN 24 -20.239 26.837 30.532 191 2HG GLN 24 2HG GLN 24 -20.992 28.377 30.299 192 1HE2 GLN 24 1HE2 GLN 24 -21.234 25.066 29.841 193 2HE2 GLN 24 2HE2 GLN 24 -22.529 25.043 28.659 194 H HIS 25 H HIS 25 -18.755 26.641 25.059 195 HA HIS 25 HA HIS 25 -16.430 28.284 25.087 196 1HB HIS 25 1HB HIS 25 -15.254 26.024 24.033 197 2HB HIS 25 2HB HIS 25 -15.105 26.390 25.776 198 HD1 HIS 25 HD1 HIS 25 -17.775 24.790 23.532 199 HD2 HIS 25 HD2 HIS 25 -15.267 23.764 26.723 200 HE1 HIS 25 HE1 HIS 25 -18.299 22.424 24.130 201 H TYR 26 H TYR 26 -17.433 29.437 23.185 202 HA TYR 26 HA TYR 26 -18.371 27.798 20.997 203 1HB TYR 26 1HB TYR 26 -17.791 30.767 21.325 204 2HB TYR 26 2HB TYR 26 -18.081 30.128 19.754 205 HD1 TYR 26 HD1 TYR 26 -20.045 28.862 22.862 206 HD2 TYR 26 HD2 TYR 26 -20.338 31.268 19.213 207 HE1 TYR 26 HE1 TYR 26 -22.392 29.022 23.109 208 HE2 TYR 26 HE2 TYR 26 -22.692 31.381 19.533 209 HH TYR 26 HH TYR 26 -24.376 29.926 22.325 210 H VAL 27 H VAL 27 -17.528 28.035 18.694 211 HA VAL 27 HA VAL 27 -14.593 28.076 18.533 212 HB VAL 27 HB VAL 27 -14.497 25.785 17.719 213 1HG1 VAL 27 1HG1 VAL 27 -14.533 26.012 20.184 214 2HG1 VAL 27 2HG1 VAL 27 -16.250 25.556 20.166 215 3HG1 VAL 27 3HG1 VAL 27 -15.024 24.424 19.576 216 1HG2 VAL 27 1HG2 VAL 27 -17.505 25.633 17.962 217 2HG2 VAL 27 2HG2 VAL 27 -16.545 25.598 16.451 218 3HG2 VAL 27 3HG2 VAL 27 -16.426 24.271 17.603 219 H TYR 28 H TYR 28 -14.029 27.583 15.989 220 HA TYR 28 HA TYR 28 -16.120 28.774 14.475 221 1HB TYR 28 1HB TYR 28 -13.891 29.437 13.034 222 2HB TYR 28 2HB TYR 28 -14.728 30.469 14.215 223 HD1 TYR 28 HD1 TYR 28 -12.128 27.726 14.528 224 HD2 TYR 28 HD2 TYR 28 -13.215 31.830 15.275 225 HE1 TYR 28 HE1 TYR 28 -10.121 28.053 15.795 226 HE2 TYR 28 HE2 TYR 28 -11.156 32.177 16.533 227 HH TYR 28 HH TYR 28 -9.209 31.221 17.281 228 H MET 29 H MET 29 -16.335 28.383 12.309 229 HA MET 29 HA MET 29 -16.015 25.583 11.842 230 1HB MET 29 1HB MET 29 -18.114 26.647 11.552 231 2HB MET 29 2HB MET 29 -17.523 27.690 10.253 232 1HG MET 29 1HG MET 29 -18.734 25.824 9.298 233 2HG MET 29 2HG MET 29 -17.013 25.617 8.959 234 1HE MET 29 1HE MET 29 -17.243 22.036 9.372 235 2HE MET 29 2HE MET 29 -18.006 23.253 8.286 236 3HE MET 29 3HE MET 29 -16.310 23.444 8.798 237 H PHE 30 H PHE 30 -14.300 24.620 10.604 238 HA PHE 30 HA PHE 30 -12.692 26.252 8.890 239 1HB PHE 30 1HB PHE 30 -12.236 24.078 10.914 240 2HB PHE 30 2HB PHE 30 -11.505 23.775 9.388 241 HD1 PHE 30 HD1 PHE 30 -11.671 27.371 11.306 242 HD2 PHE 30 HD2 PHE 30 -9.152 24.179 9.642 243 HE1 PHE 30 HE1 PHE 30 -9.701 28.547 11.690 244 HE2 PHE 30 HE2 PHE 30 -7.216 25.489 10.104 245 HZ PHE 30 HZ PHE 30 -7.459 27.727 11.150 246 H LEU 31 H LEU 31 -12.594 25.693 6.587 247 HA LEU 31 HA LEU 31 -13.860 23.230 5.795 248 1HB LEU 31 1HB LEU 31 -13.731 25.999 4.777 249 2HB LEU 31 2HB LEU 31 -13.319 24.810 3.547 250 HG LEU 31 HG LEU 31 -15.689 25.444 3.575 251 1HD1 LEU 31 1HD1 LEU 31 -15.070 22.529 4.113 252 2HD1 LEU 31 2HD1 LEU 31 -16.518 23.171 3.295 253 3HD1 LEU 31 3HD1 LEU 31 -14.905 23.399 2.574 254 1HD2 LEU 31 1HD2 LEU 31 -16.049 23.783 6.118 255 2HD2 LEU 31 2HD2 LEU 31 -15.846 25.531 6.139 256 3HD2 LEU 31 3HD2 LEU 31 -17.215 24.804 5.274 257 H VAL 32 H VAL 32 -12.523 21.478 5.165 258 HA VAL 32 HA VAL 32 -9.783 22.272 4.442 259 HB VAL 32 HB VAL 32 -9.479 20.984 6.180 260 1HG1 VAL 32 1HG1 VAL 32 -10.490 18.803 6.669 261 2HG1 VAL 32 2HG1 VAL 32 -11.728 20.062 6.567 262 3HG1 VAL 32 3HG1 VAL 32 -11.491 18.932 5.206 263 1HG2 VAL 32 1HG2 VAL 32 -8.074 20.281 4.348 264 2HG2 VAL 32 2HG2 VAL 32 -8.481 18.875 5.363 265 3HG2 VAL 32 3HG2 VAL 32 -9.276 19.088 3.812 266 H LYS 33 H LYS 33 -8.982 21.735 2.373 267 HA LYS 33 HA LYS 33 -10.957 20.488 0.565 268 1HB LYS 33 1HB LYS 33 -10.270 22.959 0.309 269 2HB LYS 33 2HB LYS 33 -8.792 22.293 -0.407 270 1HG LYS 33 1HG LYS 33 -11.672 21.894 -1.332 271 2HG LYS 33 2HG LYS 33 -10.403 22.827 -2.141 272 1HD LYS 33 1HD LYS 33 -9.087 20.688 -2.420 273 2HD LYS 33 2HD LYS 33 -10.486 19.821 -1.730 274 1HE LYS 33 1HE LYS 33 -11.924 20.480 -3.526 275 2HE LYS 33 2HE LYS 33 -10.636 21.442 -4.282 276 1HZ LYS 33 1HZ LYS 33 -9.427 19.506 -4.716 277 2HZ LYS 33 2HZ LYS 33 -10.340 18.570 -3.733 278 3HZ LYS 33 3HZ LYS 33 -10.970 19.139 -5.157 279 H TRP 34 H TRP 34 -10.294 18.233 0.228 280 HA TRP 34 HA TRP 34 -7.404 17.818 0.285 281 1HB TRP 34 1HB TRP 34 -9.679 15.854 0.079 282 2HB TRP 34 2HB TRP 34 -7.989 15.449 0.118 283 HD1 TRP 34 HD1 TRP 34 -10.592 17.091 2.433 284 HE1 TRP 34 HE1 TRP 34 -10.005 16.494 4.882 285 HE3 TRP 34 HE3 TRP 34 -6.231 14.585 1.608 286 HZ2 TRP 34 HZ2 TRP 34 -7.902 15.087 6.300 287 HZ3 TRP 34 HZ3 TRP 34 -4.957 13.641 3.531 288 HH2 TRP 34 HH2 TRP 34 -5.777 13.893 5.843 289 H GLN 35 H GLN 35 -6.348 16.690 -1.582 290 HA GLN 35 HA GLN 35 -7.634 17.575 -4.115 291 1HB GLN 35 1HB GLN 35 -5.343 17.432 -5.117 292 2HB GLN 35 2HB GLN 35 -4.949 17.923 -3.486 293 1HG GLN 35 1HG GLN 35 -4.895 15.044 -4.494 294 2HG GLN 35 2HG GLN 35 -3.551 16.173 -4.432 295 1HE2 GLN 35 1HE2 GLN 35 -5.662 14.132 -2.464 296 2HE2 GLN 35 2HE2 GLN 35 -4.812 14.441 -0.952 297 H ASP 36 H ASP 36 -7.818 14.873 -2.303 298 HA ASP 36 HA ASP 36 -8.592 13.275 -4.654 299 1HB ASP 36 1HB ASP 36 -6.371 12.386 -3.572 300 2HB ASP 36 2HB ASP 36 -7.185 12.273 -2.032 301 H LEU 37 H LEU 37 -8.847 13.300 -1.086 302 HA LEU 37 HA LEU 37 -11.450 12.166 -1.022 303 1HB LEU 37 1HB LEU 37 -10.075 13.851 0.994 304 2HB LEU 37 2HB LEU 37 -11.636 13.065 1.182 305 HG LEU 37 HG LEU 37 -10.492 10.727 0.978 306 1HD1 LEU 37 1HD1 LEU 37 -8.020 12.499 0.963 307 2HD1 LEU 37 2HD1 LEU 37 -8.048 10.753 1.324 308 3HD1 LEU 37 3HD1 LEU 37 -8.507 11.318 -0.280 309 1HD2 LEU 37 1HD2 LEU 37 -11.118 11.665 3.040 310 2HD2 LEU 37 2HD2 LEU 37 -9.615 10.725 3.106 311 3HD2 LEU 37 3HD2 LEU 37 -9.543 12.514 3.148 312 H SER 38 H SER 38 -10.548 15.304 -2.055 313 HA SER 38 HA SER 38 -11.776 17.173 -2.675 314 1HB SER 38 1HB SER 38 -14.172 15.153 -2.502 315 2HB SER 38 2HB SER 38 -14.230 16.691 -3.320 316 HG SER 38 HG SER 38 -12.425 14.579 -3.881 317 H GLU 39 H GLU 39 -14.394 18.007 -1.756 318 HA GLU 39 HA GLU 39 -13.424 19.408 0.380 319 1HB GLU 39 1HB GLU 39 -16.001 20.270 0.488 320 2HB GLU 39 2HB GLU 39 -15.315 20.356 -1.123 321 1HG GLU 39 1HG GLU 39 -16.371 18.127 -1.637 322 2HG GLU 39 2HG GLU 39 -17.125 18.185 -0.038 323 H LYS 40 H LYS 40 -13.552 19.313 2.635 324 HA LYS 40 HA LYS 40 -15.361 17.370 3.877 325 1HB LYS 40 1HB LYS 40 -12.358 17.097 3.833 326 2HB LYS 40 2HB LYS 40 -13.134 17.010 5.409 327 1HG LYS 40 1HG LYS 40 -13.014 14.793 4.765 328 2HG LYS 40 2HG LYS 40 -14.698 15.257 4.533 329 1HD LYS 40 1HD LYS 40 -13.372 15.776 2.051 330 2HD LYS 40 2HD LYS 40 -12.687 14.281 2.629 331 1HE LYS 40 1HE LYS 40 -15.709 14.750 2.500 332 2HE LYS 40 2HE LYS 40 -14.796 14.121 1.135 333 1HZ LYS 40 1HZ LYS 40 -14.104 12.285 2.468 334 2HZ LYS 40 2HZ LYS 40 -14.939 12.852 3.775 335 3HZ LYS 40 3HZ LYS 40 -15.744 12.380 2.418 336 H VAL 41 H VAL 41 -15.712 18.039 6.197 337 HA VAL 41 HA VAL 41 -14.806 20.785 6.622 338 HB VAL 41 HB VAL 41 -16.862 21.395 7.245 339 1HG1 VAL 41 1HG1 VAL 41 -16.698 20.938 4.808 340 2HG1 VAL 41 2HG1 VAL 41 -17.531 19.394 5.067 341 3HG1 VAL 41 3HG1 VAL 41 -18.354 20.918 5.430 342 1HG2 VAL 41 1HG2 VAL 41 -17.672 18.488 7.543 343 2HG2 VAL 41 2HG2 VAL 41 -17.441 19.666 8.855 344 3HG2 VAL 41 3HG2 VAL 41 -18.777 19.878 7.718 345 H VAL 42 H VAL 42 -14.414 21.506 8.830 346 HA VAL 42 HA VAL 42 -14.495 19.480 10.905 347 HB VAL 42 HB VAL 42 -12.129 19.664 11.509 348 1HG1 VAL 42 1HG1 VAL 42 -11.051 18.387 9.808 349 2HG1 VAL 42 2HG1 VAL 42 -12.753 17.909 9.934 350 3HG1 VAL 42 3HG1 VAL 42 -12.211 18.917 8.576 351 1HG2 VAL 42 1HG2 VAL 42 -11.545 21.877 10.804 352 2HG2 VAL 42 2HG2 VAL 42 -10.457 20.736 10.013 353 3HG2 VAL 42 3HG2 VAL 42 -11.788 21.456 9.085 354 H TYR 43 H TYR 43 -13.855 20.530 13.051 355 HA TYR 43 HA TYR 43 -14.736 23.316 13.040 356 1HB TYR 43 1HB TYR 43 -14.836 21.287 15.220 357 2HB TYR 43 2HB TYR 43 -15.621 22.833 15.154 358 HD1 TYR 43 HD1 TYR 43 -15.681 19.322 13.325 359 HD2 TYR 43 HD2 TYR 43 -17.982 22.991 13.882 360 HE1 TYR 43 HE1 TYR 43 -17.500 18.399 12.196 361 HE2 TYR 43 HE2 TYR 43 -19.772 21.992 12.740 362 HH TYR 43 HH TYR 43 -20.590 20.135 11.646 363 H ARG 44 H ARG 44 -13.546 24.750 14.477 364 HA ARG 44 HA ARG 44 -11.021 23.630 15.543 365 1HB ARG 44 1HB ARG 44 -11.239 25.245 13.198 366 2HB ARG 44 2HB ARG 44 -10.559 26.263 14.450 367 1HG ARG 44 1HG ARG 44 -8.773 25.355 13.297 368 2HG ARG 44 2HG ARG 44 -8.775 24.608 14.899 369 1HD ARG 44 1HD ARG 44 -10.216 23.201 12.640 370 2HD ARG 44 2HD ARG 44 -8.442 23.249 12.621 371 HE ARG 44 HE ARG 44 -9.408 22.400 15.219 372 1HH1 ARG 44 1HH1 ARG 44 -9.299 21.209 11.902 373 2HH1 ARG 44 2HH1 ARG 44 -8.593 19.663 12.360 374 1HH2 ARG 44 1HH2 ARG 44 -8.512 20.323 15.804 375 2HH2 ARG 44 2HH2 ARG 44 -8.094 19.203 14.514 376 H ARG 45 H ARG 45 -10.303 24.628 17.502 377 HA ARG 45 HA ARG 45 -11.858 26.945 18.449 378 1HB ARG 45 1HB ARG 45 -12.504 24.832 19.601 379 2HB ARG 45 2HB ARG 45 -10.835 24.649 20.155 380 1HG ARG 45 1HG ARG 45 -10.973 26.708 21.442 381 2HG ARG 45 2HG ARG 45 -12.568 27.086 20.781 382 1HD ARG 45 1HD ARG 45 -13.599 25.311 22.064 383 2HD ARG 45 2HD ARG 45 -12.049 24.513 22.304 384 HE ARG 45 HE ARG 45 -11.755 25.652 24.190 385 1HH1 ARG 45 1HH1 ARG 45 -14.011 27.669 22.256 386 2HH1 ARG 45 2HH1 ARG 45 -14.132 28.871 23.497 387 1HH2 ARG 45 1HH2 ARG 45 -12.001 27.238 25.791 388 2HH2 ARG 45 2HH2 ARG 45 -13.030 28.614 25.523 389 H PHE 46 H PHE 46 -10.689 28.356 19.924 390 HA PHE 46 HA PHE 46 -8.267 29.278 19.010 391 1HB PHE 46 1HB PHE 46 -9.051 29.472 21.955 392 2HB PHE 46 2HB PHE 46 -8.233 30.655 20.952 393 HD1 PHE 46 HD1 PHE 46 -11.482 29.236 21.964 394 HD2 PHE 46 HD2 PHE 46 -9.476 32.056 19.414 395 HE1 PHE 46 HE1 PHE 46 -13.654 30.386 21.520 396 HE2 PHE 46 HE2 PHE 46 -11.654 33.212 18.967 397 HZ PHE 46 HZ PHE 46 -13.734 32.362 20.029 398 H THR 47 H THR 47 -8.818 27.284 21.788 399 HA THR 47 HA THR 47 -6.127 26.926 22.601 400 HB THR 47 HB THR 47 -7.186 26.313 24.415 401 HG1 THR 47 HG1 THR 47 -6.502 24.219 23.634 402 1HG2 THR 47 1HG2 THR 47 -9.387 27.120 23.653 403 2HG2 THR 47 2HG2 THR 47 -9.657 25.552 22.831 404 3HG2 THR 47 3HG2 THR 47 -9.538 25.638 24.595 405 H GLU 48 H GLU 48 -7.808 25.431 19.943 406 HA GLU 48 HA GLU 48 -5.979 23.139 19.804 407 1HB GLU 48 1HB GLU 48 -8.097 24.245 17.859 408 2HB GLU 48 2HB GLU 48 -7.017 22.980 17.606 409 1HG GLU 48 1HG GLU 48 -8.153 21.778 19.667 410 2HG GLU 48 2HG GLU 48 -9.458 22.941 19.374 411 H ILE 49 H ILE 49 -6.696 26.266 18.141 412 HA ILE 49 HA ILE 49 -4.548 25.942 16.249 413 HB ILE 49 HB ILE 49 -5.923 28.448 17.316 414 1HG1 ILE 49 1HG1 ILE 49 -6.271 28.585 14.717 415 2HG1 ILE 49 2HG1 ILE 49 -5.911 26.867 14.702 416 1HG2 ILE 49 1HG2 ILE 49 -3.726 29.224 17.057 417 2HG2 ILE 49 2HG2 ILE 49 -3.472 28.286 15.583 418 3HG2 ILE 49 3HG2 ILE 49 -4.567 29.691 15.586 419 1HD1 ILE 49 1HD1 ILE 49 -8.107 28.202 16.339 420 2HD1 ILE 49 2HD1 ILE 49 -8.352 27.433 14.752 421 3HD1 ILE 49 3HD1 ILE 49 -7.922 26.456 16.139 422 H TYR 50 H TYR 50 -4.671 27.300 19.545 423 HA TYR 50 HA TYR 50 -1.861 27.902 19.658 424 1HB TYR 50 1HB TYR 50 -3.661 27.144 22.010 425 2HB TYR 50 2HB TYR 50 -2.236 28.113 22.070 426 HD1 TYR 50 HD1 TYR 50 -5.078 28.986 23.221 427 HD2 TYR 50 HD2 TYR 50 -3.286 29.865 19.333 428 HE1 TYR 50 HE1 TYR 50 -6.428 30.954 23.001 429 HE2 TYR 50 HE2 TYR 50 -4.665 31.809 19.176 430 HH TYR 50 HH TYR 50 -6.973 32.778 21.726 431 H GLU 51 H GLU 51 -3.656 25.086 20.953 432 HA GLU 51 HA GLU 51 -1.340 23.848 22.013 433 1HB GLU 51 1HB GLU 51 -3.572 23.081 22.634 434 2HB GLU 51 2HB GLU 51 -3.854 22.464 20.989 435 1HG GLU 51 1HG GLU 51 -2.014 20.841 21.294 436 2HG GLU 51 2HG GLU 51 -1.679 21.516 22.900 437 H PHE 52 H PHE 52 -2.837 23.532 18.828 438 HA PHE 52 HA PHE 52 -1.105 21.625 17.659 439 1HB PHE 52 1HB PHE 52 -3.057 22.453 16.407 440 2HB PHE 52 2HB PHE 52 -2.483 24.074 16.404 441 HD1 PHE 52 HD1 PHE 52 -0.290 24.727 14.673 442 HD2 PHE 52 HD2 PHE 52 -2.038 20.738 14.915 443 HE1 PHE 52 HE1 PHE 52 0.829 24.017 12.643 444 HE2 PHE 52 HE2 PHE 52 -0.907 20.138 12.895 445 HZ PHE 52 HZ PHE 52 0.545 21.792 11.717 446 H HIS 53 H HIS 53 -1.016 25.155 17.395 447 HA HIS 53 HA HIS 53 1.396 25.185 16.066 448 1HB HIS 53 1HB HIS 53 -0.320 26.940 16.184 449 2HB HIS 53 2HB HIS 53 0.289 27.433 17.786 450 HD1 HIS 53 HD1 HIS 53 1.531 26.509 14.377 451 HD2 HIS 53 HD2 HIS 53 2.296 29.546 17.137 452 HE1 HIS 53 HE1 HIS 53 3.111 27.931 13.284 453 H LYS 54 H LYS 54 0.695 25.327 19.398 454 HA LYS 54 HA LYS 54 3.386 25.825 20.344 455 1HB LYS 54 1HB LYS 54 0.981 24.540 21.655 456 2HB LYS 54 2HB LYS 54 2.542 24.614 22.475 457 1HG LYS 54 1HG LYS 54 2.619 27.001 22.420 458 2HG LYS 54 2HG LYS 54 1.204 27.110 21.362 459 1HD LYS 54 1HD LYS 54 -0.207 26.089 23.134 460 2HD LYS 54 2HD LYS 54 1.212 25.977 24.198 461 1HE LYS 54 1HE LYS 54 1.458 28.450 24.138 462 2HE LYS 54 2HE LYS 54 0.058 28.570 23.055 463 1HZ LYS 54 1HZ LYS 54 -0.526 29.005 25.321 464 2HZ LYS 54 2HZ LYS 54 -1.292 27.643 24.802 465 3HZ LYS 54 3HZ LYS 54 0.010 27.527 25.805 466 H THR 55 H THR 55 1.649 22.868 19.521 467 HA THR 55 HA THR 55 3.861 21.123 20.358 468 HB THR 55 HB THR 55 1.486 20.574 18.538 469 HG1 THR 55 HG1 THR 55 0.832 21.153 20.618 470 1HG2 THR 55 1HG2 THR 55 3.106 18.883 18.182 471 2HG2 THR 55 2HG2 THR 55 3.376 18.675 19.929 472 3HG2 THR 55 3HG2 THR 55 1.819 18.214 19.183 473 H LEU 56 H LEU 56 2.912 22.577 17.307 474 HA LEU 56 HA LEU 56 4.898 21.232 15.830 475 1HB LEU 56 1HB LEU 56 2.979 22.870 14.953 476 2HB LEU 56 2HB LEU 56 4.028 24.151 15.436 477 HG LEU 56 HG LEU 56 3.998 23.897 13.142 478 1HD1 LEU 56 1HD1 LEU 56 5.944 24.757 14.514 479 2HD1 LEU 56 2HD1 LEU 56 6.760 23.237 14.112 480 3HD1 LEU 56 3HD1 LEU 56 6.252 24.308 12.817 481 1HD2 LEU 56 1HD2 LEU 56 4.128 21.822 12.121 482 2HD2 LEU 56 2HD2 LEU 56 5.852 21.878 12.459 483 3HD2 LEU 56 3HD2 LEU 56 4.756 21.047 13.573 484 H LYS 57 H LYS 57 5.011 24.330 17.568 485 HA LYS 57 HA LYS 57 7.776 24.718 16.982 486 1HB LYS 57 1HB LYS 57 5.893 25.823 19.116 487 2HB LYS 57 2HB LYS 57 7.540 26.428 18.843 488 1HG LYS 57 1HG LYS 57 6.870 26.805 16.390 489 2HG LYS 57 2HG LYS 57 5.223 26.466 16.813 490 1HD LYS 57 1HD LYS 57 4.884 28.478 17.818 491 2HD LYS 57 2HD LYS 57 6.480 28.499 18.574 492 1HE LYS 57 1HE LYS 57 6.218 30.314 16.924 493 2HE LYS 57 2HE LYS 57 7.556 29.230 16.537 494 1HZ LYS 57 1HZ LYS 57 4.908 29.121 15.261 495 2HZ LYS 57 2HZ LYS 57 6.263 29.786 14.612 496 3HZ LYS 57 3HZ LYS 57 6.210 28.179 14.880 497 H GLU 58 H GLU 58 6.245 22.806 19.401 498 HA GLU 58 HA GLU 58 8.574 22.737 21.104 499 1HB GLU 58 1HB GLU 58 6.001 21.012 21.014 500 2HB GLU 58 2HB GLU 58 7.259 20.636 22.112 501 1HG GLU 58 1HG GLU 58 6.399 23.615 22.127 502 2HG GLU 58 2HG GLU 58 5.298 22.489 22.869 503 H MET 59 H MET 59 6.947 20.366 18.871 504 HA MET 59 HA MET 59 9.077 18.505 19.047 505 1HB MET 59 1HB MET 59 7.227 18.996 16.750 506 2HB MET 59 2HB MET 59 8.083 17.515 17.052 507 1HG MET 59 1HG MET 59 6.665 17.018 19.008 508 2HG MET 59 2HG MET 59 5.777 18.514 18.788 509 1HE MET 59 1HE MET 59 4.008 17.818 15.283 510 2HE MET 59 2HE MET 59 4.381 19.082 16.472 511 3HE MET 59 3HE MET 59 5.648 18.434 15.442 512 H PHE 60 H PHE 60 8.326 21.019 16.574 513 HA PHE 60 HA PHE 60 10.896 20.624 15.278 514 1HB PHE 60 1HB PHE 60 8.627 22.400 14.562 515 2HB PHE 60 2HB PHE 60 10.083 22.133 13.731 516 HD1 PHE 60 HD1 PHE 60 6.637 20.469 14.433 517 HD2 PHE 60 HD2 PHE 60 10.509 19.715 12.535 518 HE1 PHE 60 HE1 PHE 60 5.778 18.583 13.265 519 HE2 PHE 60 HE2 PHE 60 9.563 17.840 11.436 520 HZ PHE 60 HZ PHE 60 7.184 17.231 11.766 521 HA PRO 61 HA PRO 61 11.349 24.574 17.955 522 1HB PRO 61 1HB PRO 61 13.930 24.559 18.696 523 2HB PRO 61 2HB PRO 61 12.721 23.484 19.466 524 1HG PRO 61 1HG PRO 61 14.689 22.797 17.283 525 2HG PRO 61 2HG PRO 61 14.326 21.870 18.767 526 1HD PRO 61 1HD PRO 61 13.248 21.432 16.290 527 2HD PRO 61 2HD PRO 61 12.374 20.987 17.837 528 H ILE 62 H ILE 62 12.944 23.393 15.152 529 HA ILE 62 HA ILE 62 14.382 25.719 14.353 530 HB ILE 62 HB ILE 62 13.144 23.537 12.701 531 1HG1 ILE 62 1HG1 ILE 62 14.562 22.368 14.297 532 2HG1 ILE 62 2HG1 ILE 62 15.356 22.354 12.728 533 1HG2 ILE 62 1HG2 ILE 62 13.727 25.338 11.339 534 2HG2 ILE 62 2HG2 ILE 62 15.407 25.256 11.953 535 3HG2 ILE 62 3HG2 ILE 62 14.707 23.913 11.002 536 1HD1 ILE 62 1HD1 ILE 62 16.818 24.249 13.468 537 2HD1 ILE 62 2HD1 ILE 62 16.026 24.209 15.060 538 3HD1 ILE 62 3HD1 ILE 62 16.967 22.819 14.501 539 H GLU 63 H GLU 63 11.125 24.404 13.688 540 HA GLU 63 HA GLU 63 10.485 26.543 11.895 541 1HB GLU 63 1HB GLU 63 9.128 24.499 12.067 542 2HB GLU 63 2HB GLU 63 8.456 25.078 13.594 543 1HG GLU 63 1HG GLU 63 8.357 26.785 11.052 544 2HG GLU 63 2HG GLU 63 7.186 25.504 11.277 545 H ALA 64 H ALA 64 11.060 26.471 15.246 546 HA ALA 64 HA ALA 64 9.843 29.098 15.663 547 1HB ALA 64 1HB ALA 64 10.379 26.891 17.727 548 2HB ALA 64 2HB ALA 64 9.316 28.313 17.946 549 3HB ALA 64 3HB ALA 64 8.875 26.989 16.841 550 H GLY 65 H GLY 65 12.367 28.626 14.539 551 1HA GLY 65 1HA GLY 65 13.828 30.378 16.274 552 2HA GLY 65 2HA GLY 65 14.512 28.704 16.192 553 H ALA 66 H ALA 66 14.229 27.952 13.635 554 HA ALA 66 HA ALA 66 15.980 29.896 12.330 555 1HB ALA 66 1HB ALA 66 16.501 27.369 12.331 556 2HB ALA 66 2HB ALA 66 15.133 27.248 11.178 557 3HB ALA 66 3HB ALA 66 16.561 28.196 10.758 558 H ILE 67 H ILE 67 12.760 28.990 12.445 559 HA ILE 67 HA ILE 67 12.206 30.552 9.917 560 HB ILE 67 HB ILE 67 10.445 28.497 11.212 561 1HG1 ILE 67 1HG1 ILE 67 12.603 28.229 9.029 562 2HG1 ILE 67 2HG1 ILE 67 12.523 27.327 10.547 563 1HG2 ILE 67 1HG2 ILE 67 9.229 29.951 9.661 564 2HG2 ILE 67 2HG2 ILE 67 10.463 29.693 8.410 565 3HG2 ILE 67 3HG2 ILE 67 9.381 28.378 8.941 566 1HD1 ILE 67 1HD1 ILE 67 10.500 26.154 9.700 567 2HD1 ILE 67 2HD1 ILE 67 10.813 26.895 8.103 568 3HD1 ILE 67 3HD1 ILE 67 12.009 25.820 8.835 569 H ASN 68 H ASN 68 12.469 31.099 12.996 570 HA ASN 68 HA ASN 68 9.921 32.565 13.246 571 1HB ASN 68 1HB ASN 68 11.681 31.403 15.164 572 2HB ASN 68 2HB ASN 68 11.602 33.136 15.488 573 1HD2 ASN 68 1HD2 ASN 68 9.196 30.725 14.224 574 2HD2 ASN 68 2HD2 ASN 68 7.923 31.248 15.317 575 HA PRO 69 HA PRO 69 12.279 36.461 13.104 576 1HB PRO 69 1HB PRO 69 14.986 36.709 12.737 577 2HB PRO 69 2HB PRO 69 14.298 36.243 14.319 578 1HG PRO 69 1HG PRO 69 15.483 34.425 12.212 579 2HG PRO 69 2HG PRO 69 15.724 34.382 13.974 580 1HD PRO 69 1HD PRO 69 13.878 32.802 12.579 581 2HD PRO 69 2HD PRO 69 13.708 33.240 14.312 582 H GLU 70 H GLU 70 14.070 34.571 10.772 583 HA GLU 70 HA GLU 70 13.885 36.648 8.819 584 1HB GLU 70 1HB GLU 70 14.557 34.623 7.165 585 2HB GLU 70 2HB GLU 70 15.638 34.721 8.516 586 1HG GLU 70 1HG GLU 70 14.403 32.822 9.691 587 2HG GLU 70 2HG GLU 70 13.229 32.750 8.403 588 H ASN 71 H ASN 71 11.814 34.011 9.636 589 HA ASN 71 HA ASN 71 9.813 35.022 7.642 590 1HB ASN 71 1HB ASN 71 10.867 32.450 7.603 591 2HB ASN 71 2HB ASN 71 9.811 32.257 8.946 592 1HD2 ASN 71 1HD2 ASN 71 7.990 31.279 8.434 593 2HD2 ASN 71 2HD2 ASN 71 7.076 31.532 6.951 594 H ARG 72 H ARG 72 10.213 36.366 9.932 595 HA ARG 72 HA ARG 72 8.267 35.634 11.972 596 1HB ARG 72 1HB ARG 72 10.281 37.213 12.231 597 2HB ARG 72 2HB ARG 72 9.318 38.450 11.435 598 1HG ARG 72 1HG ARG 72 7.632 38.238 13.282 599 2HG ARG 72 2HG ARG 72 8.626 36.952 14.005 600 1HD ARG 72 1HD ARG 72 10.528 38.537 14.187 601 2HD ARG 72 2HD ARG 72 9.511 39.826 13.498 602 HE ARG 72 HE ARG 72 8.143 38.769 15.724 603 1HH1 ARG 72 1HH1 ARG 72 11.118 40.559 15.046 604 2HH1 ARG 72 2HH1 ARG 72 11.189 41.327 16.608 605 1HH2 ARG 72 1HH2 ARG 72 8.229 39.770 17.800 606 2HH2 ARG 72 2HH2 ARG 72 9.514 40.878 18.188 607 H ILE 73 H ILE 73 6.784 35.117 10.022 608 HA ILE 73 HA ILE 73 4.751 37.254 9.638 609 HB ILE 73 HB ILE 73 5.604 34.958 7.808 610 1HG1 ILE 73 1HG1 ILE 73 5.615 37.002 6.152 611 2HG1 ILE 73 2HG1 ILE 73 5.743 37.995 7.603 612 1HG2 ILE 73 1HG2 ILE 73 3.787 35.748 6.288 613 2HG2 ILE 73 2HG2 ILE 73 3.177 35.026 7.765 614 3HG2 ILE 73 3HG2 ILE 73 3.193 36.798 7.591 615 1HD1 ILE 73 1HD1 ILE 73 7.906 36.929 8.123 616 2HD1 ILE 73 2HD1 ILE 73 7.651 35.735 6.828 617 3HD1 ILE 73 3HD1 ILE 73 7.908 37.444 6.440 618 H ILE 74 H ILE 74 5.619 34.065 10.840 619 HA ILE 74 HA ILE 74 3.167 32.767 10.946 620 HB ILE 74 HB ILE 74 5.377 32.779 12.975 621 1HG1 ILE 74 1HG1 ILE 74 5.344 30.593 10.957 622 2HG1 ILE 74 2HG1 ILE 74 5.952 32.146 10.394 623 1HG2 ILE 74 1HG2 ILE 74 3.325 31.561 13.737 624 2HG2 ILE 74 2HG2 ILE 74 3.295 30.646 12.214 625 3HG2 ILE 74 3HG2 ILE 74 4.605 30.394 13.359 626 1HD1 ILE 74 1HD1 ILE 74 7.630 32.209 12.161 627 2HD1 ILE 74 2HD1 ILE 74 6.976 30.734 12.899 628 3HD1 ILE 74 3HD1 ILE 74 7.717 30.659 11.303 629 HA PRO 75 HA PRO 75 1.084 35.622 13.578 630 1HB PRO 75 1HB PRO 75 -1.191 34.346 14.331 631 2HB PRO 75 2HB PRO 75 -0.829 34.831 12.659 632 1HG PRO 75 1HG PRO 75 -0.272 32.117 13.897 633 2HG PRO 75 2HG PRO 75 -1.222 32.501 12.433 634 1HD PRO 75 1HD PRO 75 1.402 31.832 12.242 635 2HD PRO 75 2HD PRO 75 0.739 33.156 11.236 636 H HIS 76 H HIS 76 2.955 35.434 15.198 637 HA HIS 76 HA HIS 76 2.698 33.745 17.548 638 1HB HIS 76 1HB HIS 76 4.407 36.196 16.922 639 2HB HIS 76 2HB HIS 76 4.665 35.100 18.287 640 HD1 HIS 76 HD1 HIS 76 6.559 35.719 15.647 641 HD2 HIS 76 HD2 HIS 76 4.418 32.252 16.600 642 HE1 HIS 76 HE1 HIS 76 7.676 33.795 14.433 643 H LEU 77 H LEU 77 3.174 35.296 19.661 644 HA LEU 77 HA LEU 77 2.551 36.830 21.139 645 1HB LEU 77 1HB LEU 77 0.232 37.726 19.380 646 2HB LEU 77 2HB LEU 77 0.770 38.482 20.850 647 HG LEU 77 HG LEU 77 2.454 38.334 18.314 648 1HD1 LEU 77 1HD1 LEU 77 0.935 40.635 19.603 649 2HD1 LEU 77 2HD1 LEU 77 1.973 40.734 18.164 650 3HD1 LEU 77 3HD1 LEU 77 0.476 39.788 18.109 651 1HD2 LEU 77 1HD2 LEU 77 3.913 38.413 20.279 652 2HD2 LEU 77 2HD2 LEU 77 3.876 40.002 19.508 653 3HD2 LEU 77 3HD2 LEU 77 2.937 39.721 20.988 654 HA PRO 78 HA PRO 78 -0.295 34.193 23.253 655 1HB PRO 78 1HB PRO 78 -0.739 35.530 25.591 656 2HB PRO 78 2HB PRO 78 0.878 34.921 25.144 657 1HG PRO 78 1HG PRO 78 -0.213 37.719 24.696 658 2HG PRO 78 2HG PRO 78 1.305 37.264 25.531 659 1HD PRO 78 1HD PRO 78 1.297 37.964 22.922 660 2HD PRO 78 2HD PRO 78 2.331 36.623 23.490 661 H ALA 79 H ALA 79 -2.500 34.532 24.649 662 HA ALA 79 HA ALA 79 -4.462 35.706 22.804 663 1HB ALA 79 1HB ALA 79 -4.707 33.906 25.248 664 2HB ALA 79 2HB ALA 79 -6.030 34.390 24.164 665 3HB ALA 79 3HB ALA 79 -4.696 33.392 23.550 666 HA PRO 80 HA PRO 80 -4.473 38.958 26.095 667 1HB PRO 80 1HB PRO 80 -5.104 41.160 24.689 668 2HB PRO 80 2HB PRO 80 -3.522 40.360 24.498 669 1HG PRO 80 1HG PRO 80 -5.962 40.016 22.729 670 2HG PRO 80 2HG PRO 80 -4.279 40.387 22.251 671 1HD PRO 80 1HD PRO 80 -5.298 37.819 22.262 672 2HD PRO 80 2HD PRO 80 -3.586 38.232 22.579 673 H LYS 81 H LYS 81 -6.362 37.299 26.536 674 HA LYS 81 HA LYS 81 -8.973 38.726 26.373 675 1HB LYS 81 1HB LYS 81 -9.999 36.469 26.674 676 2HB LYS 81 2HB LYS 81 -9.131 36.679 25.164 677 1HG LYS 81 1HG LYS 81 -8.745 34.454 26.064 678 2HG LYS 81 2HG LYS 81 -7.253 35.376 25.913 679 1HD LYS 81 1HD LYS 81 -7.158 34.075 27.912 680 2HD LYS 81 2HD LYS 81 -7.254 35.756 28.370 681 1HE LYS 81 1HE LYS 81 -9.963 34.937 28.325 682 2HE LYS 81 2HE LYS 81 -9.111 33.492 28.876 683 1HZ LYS 81 1HZ LYS 81 -9.024 36.179 30.041 684 2HZ LYS 81 2HZ LYS 81 -9.743 34.852 30.698 685 3HZ LYS 81 3HZ LYS 81 -8.097 34.918 30.589 686 H TRP 82 H TRP 82 -6.581 38.847 28.250 687 HA TRP 82 HA TRP 82 -7.741 37.945 30.787 688 1HB TRP 82 1HB TRP 82 -5.082 39.170 29.998 689 2HB TRP 82 2HB TRP 82 -5.537 38.704 31.641 690 HD1 TRP 82 HD1 TRP 82 -4.461 37.103 28.280 691 HE1 TRP 82 HE1 TRP 82 -4.054 34.624 28.635 692 HE3 TRP 82 HE3 TRP 82 -6.277 36.591 33.089 693 HZ2 TRP 82 HZ2 TRP 82 -4.441 32.653 30.660 694 HZ3 TRP 82 HZ3 TRP 82 -6.234 34.377 34.173 695 HH2 TRP 82 HH2 TRP 82 -5.319 32.402 32.977 696 H PHE 83 H PHE 83 -9.590 39.268 30.327 697 HA PHE 83 HA PHE 83 -10.998 40.868 30.947 698 1HB PHE 83 1HB PHE 83 -8.771 42.190 32.520 699 2HB PHE 83 2HB PHE 83 -10.503 42.382 32.737 700 HD1 PHE 83 HD1 PHE 83 -11.902 40.279 33.361 701 HD2 PHE 83 HD2 PHE 83 -7.609 40.489 33.749 702 HE1 PHE 83 HE1 PHE 83 -11.950 38.392 34.969 703 HE2 PHE 83 HE2 PHE 83 -7.667 38.603 35.356 704 HZ PHE 83 HZ PHE 83 -9.835 37.550 35.969 705 H ASP 84 H ASP 84 -9.608 41.088 28.481 706 HA ASP 84 HA ASP 84 -9.370 44.031 27.998 707 1HB ASP 84 1HB ASP 84 -7.588 42.270 27.204 708 2HB ASP 84 2HB ASP 84 -8.784 41.604 26.159 709 H GLY 85 H GLY 85 -10.372 43.395 25.155 710 1HA GLY 85 1HA GLY 85 -13.178 42.895 25.474 711 2HA GLY 85 2HA GLY 85 -12.832 44.622 25.378 712 H GLN 86 H GLN 86 -13.099 45.337 23.167 713 HA GLN 86 HA GLN 86 -13.377 43.510 21.010 714 1HB GLN 86 1HB GLN 86 -13.168 46.505 21.292 715 2HB GLN 86 2HB GLN 86 -12.779 45.811 19.719 716 1HG GLN 86 1HG GLN 86 -14.962 44.574 19.729 717 2HG GLN 86 2HG GLN 86 -15.396 45.455 21.206 718 1HE2 GLN 86 1HE2 GLN 86 -14.107 46.050 17.842 719 2HE2 GLN 86 2HE2 GLN 86 -15.074 47.489 17.581 720 H ARG 87 H ARG 87 -10.571 44.753 22.490 721 HA ARG 87 HA ARG 87 -8.897 44.120 20.122 722 1HB ARG 87 1HB ARG 87 -8.497 46.240 21.577 723 2HB ARG 87 2HB ARG 87 -8.228 45.259 22.977 724 1HG ARG 87 1HG ARG 87 -6.460 44.702 20.618 725 2HG ARG 87 2HG ARG 87 -6.254 46.248 21.442 726 1HD ARG 87 1HD ARG 87 -5.892 45.230 23.586 727 2HD ARG 87 2HD ARG 87 -6.230 43.618 22.994 728 HE ARG 87 HE ARG 87 -3.758 45.085 22.829 729 1HH1 ARG 87 1HH1 ARG 87 -5.689 42.652 21.112 730 2HH1 ARG 87 2HH1 ARG 87 -4.304 41.898 20.355 731 1HH2 ARG 87 1HH2 ARG 87 -1.933 44.061 21.832 732 2HH2 ARG 87 2HH2 ARG 87 -2.176 42.710 20.756 733 H ALA 88 H ALA 88 -10.270 42.475 22.538 734 HA ALA 88 HA ALA 88 -8.231 40.369 22.729 735 1HB ALA 88 1HB ALA 88 -9.676 39.332 24.284 736 2HB ALA 88 2HB ALA 88 -9.986 41.059 24.593 737 3HB ALA 88 3HB ALA 88 -11.120 40.112 23.650 738 H ALA 89 H ALA 89 -11.331 41.198 21.464 739 HA ALA 89 HA ALA 89 -12.056 38.744 20.201 740 1HB ALA 89 1HB ALA 89 -13.707 40.457 20.797 741 2HB ALA 89 2HB ALA 89 -13.032 41.559 19.578 742 3HB ALA 89 3HB ALA 89 -13.799 40.041 19.074 743 H GLU 90 H GLU 90 -11.048 41.777 18.692 744 HA GLU 90 HA GLU 90 -10.505 40.557 16.121 745 1HB GLU 90 1HB GLU 90 -9.749 43.274 17.322 746 2HB GLU 90 2HB GLU 90 -9.652 42.883 15.599 747 1HG GLU 90 1HG GLU 90 -12.014 42.746 15.367 748 2HG GLU 90 2HG GLU 90 -12.301 42.643 17.105 749 H ASN 91 H ASN 91 -8.714 40.169 18.875 750 HA ASN 91 HA ASN 91 -6.126 40.098 17.389 751 1HB ASN 91 1HB ASN 91 -6.254 40.855 19.874 752 2HB ASN 91 2HB ASN 91 -6.747 39.247 20.343 753 1HD2 ASN 91 1HD2 ASN 91 -5.153 37.422 19.563 754 2HD2 ASN 91 2HD2 ASN 91 -3.459 37.831 19.622 755 H ARG 92 H ARG 92 -8.392 37.960 19.232 756 HA ARG 92 HA ARG 92 -7.160 35.530 18.247 757 1HB ARG 92 1HB ARG 92 -9.979 36.113 19.292 758 2HB ARG 92 2HB ARG 92 -9.267 34.497 19.176 759 1HG ARG 92 1HG ARG 92 -7.764 34.893 20.974 760 2HG ARG 92 2HG ARG 92 -7.920 36.641 20.869 761 1HD ARG 92 1HD ARG 92 -9.159 36.086 22.780 762 2HD ARG 92 2HD ARG 92 -10.331 36.466 21.538 763 HE ARG 92 HE ARG 92 -11.115 34.313 21.529 764 1HH1 ARG 92 1HH1 ARG 92 -8.038 34.365 23.250 765 2HH1 ARG 92 2HH1 ARG 92 -8.313 32.868 24.107 766 1HH2 ARG 92 1HH2 ARG 92 -11.500 32.348 22.637 767 2HH2 ARG 92 2HH2 ARG 92 -10.345 31.730 23.786 768 H GLN 93 H GLN 93 -9.770 37.539 17.117 769 HA GLN 93 HA GLN 93 -10.386 35.694 14.925 770 1HB GLN 93 1HB GLN 93 -11.337 38.524 15.456 771 2HB GLN 93 2HB GLN 93 -11.923 37.503 14.147 772 1HG GLN 93 1HG GLN 93 -12.146 36.778 17.104 773 2HG GLN 93 2HG GLN 93 -13.414 37.552 16.151 774 1HE2 GLN 93 1HE2 GLN 93 -14.098 35.258 17.407 775 2HE2 GLN 93 2HE2 GLN 93 -14.236 33.950 16.250 776 H GLY 94 H GLY 94 -7.782 37.732 15.426 777 1HA GLY 94 1HA GLY 94 -7.387 38.315 12.508 778 2HA GLY 94 2HA GLY 94 -6.528 39.059 13.856 779 H THR 95 H THR 95 -5.910 36.932 15.418 780 HA THR 95 HA THR 95 -3.605 35.720 14.252 781 HB THR 95 HB THR 95 -5.267 35.152 16.792 782 HG1 THR 95 HG1 THR 95 -2.720 36.358 16.466 783 1HG2 THR 95 1HG2 THR 95 -3.383 33.846 17.722 784 2HG2 THR 95 2HG2 THR 95 -4.092 33.033 16.334 785 3HG2 THR 95 3HG2 THR 95 -2.550 33.894 16.167 786 H LEU 96 H LEU 96 -6.807 34.377 15.051 787 HA LEU 96 HA LEU 96 -6.223 31.811 13.828 788 1HB LEU 96 1HB LEU 96 -8.032 32.088 15.375 789 2HB LEU 96 2HB LEU 96 -8.778 33.303 14.337 790 HG LEU 96 HG LEU 96 -10.015 31.412 14.159 791 1HD1 LEU 96 1HD1 LEU 96 -9.493 32.713 12.143 792 2HD1 LEU 96 2HD1 LEU 96 -8.658 31.199 11.579 793 3HD1 LEU 96 3HD1 LEU 96 -10.368 31.180 12.140 794 1HD2 LEU 96 1HD2 LEU 96 -8.004 29.574 12.825 795 2HD2 LEU 96 2HD2 LEU 96 -8.230 29.605 14.590 796 3HD2 LEU 96 3HD2 LEU 96 -9.588 29.266 13.533 797 H THR 97 H THR 97 -7.861 34.651 12.576 798 HA THR 97 HA THR 97 -8.251 33.832 9.886 799 HB THR 97 HB THR 97 -7.919 36.536 11.242 800 HG1 THR 97 HG1 THR 97 -9.996 36.368 11.252 801 1HG2 THR 97 1HG2 THR 97 -8.212 36.351 8.283 802 2HG2 THR 97 2HG2 THR 97 -8.520 37.778 9.310 803 3HG2 THR 97 3HG2 THR 97 -6.897 37.102 9.234 804 H GLU 98 H GLU 98 -5.329 35.098 11.305 805 HA GLU 98 HA GLU 98 -4.084 35.105 8.627 806 1HB GLU 98 1HB GLU 98 -3.645 36.944 10.374 807 2HB GLU 98 2HB GLU 98 -2.873 35.710 11.387 808 1HG GLU 98 1HG GLU 98 -1.214 35.322 9.576 809 2HG GLU 98 2HG GLU 98 -2.022 36.559 8.591 810 H TYR 99 H TYR 99 -4.209 33.179 11.583 811 HA TYR 99 HA TYR 99 -2.104 31.622 10.618 812 1HB TYR 99 1HB TYR 99 -3.343 31.285 13.030 813 2HB TYR 99 2HB TYR 99 -4.285 30.150 12.133 814 HD1 TYR 99 HD1 TYR 99 -0.534 30.555 11.271 815 HD2 TYR 99 HD2 TYR 99 -3.426 28.087 13.415 816 HE1 TYR 99 HE1 TYR 99 1.143 28.833 11.545 817 HE2 TYR 99 HE2 TYR 99 -1.614 26.388 13.659 818 HH TYR 99 HH TYR 99 0.339 25.744 13.031 819 H CYS 100 H CYS 100 -5.593 31.285 10.068 820 HA CYS 100 HA CYS 100 -5.353 28.806 8.700 821 1HB CYS 100 1HB CYS 100 -7.576 29.989 9.208 822 2HB CYS 100 2HB CYS 100 -7.208 31.135 7.896 823 HG CYS 100 HG CYS 100 -8.971 29.414 7.073 824 H SER 101 H SER 101 -4.922 32.085 7.490 825 HA SER 101 HA SER 101 -4.219 31.180 4.819 826 1HB SER 101 1HB SER 101 -3.413 33.782 6.247 827 2HB SER 101 2HB SER 101 -3.503 33.521 4.495 828 HG SER 101 HG SER 101 -5.612 33.678 6.386 829 H THR 102 H THR 102 -2.282 31.819 7.640 830 HA THR 102 HA THR 102 0.262 31.454 6.320 831 HB THR 102 HB THR 102 -0.453 31.992 9.221 832 HG1 THR 102 HG1 THR 102 0.413 33.674 7.097 833 1HG2 THR 102 1HG2 THR 102 2.218 32.099 7.831 834 2HG2 THR 102 2HG2 THR 102 1.805 33.049 9.262 835 3HG2 THR 102 3HG2 THR 102 1.744 31.277 9.361 836 H LEU 103 H LEU 103 -1.829 29.308 8.019 837 HA LEU 103 HA LEU 103 0.172 27.310 8.579 838 1HB LEU 103 1HB LEU 103 -2.589 27.667 8.983 839 2HB LEU 103 2HB LEU 103 -2.640 26.338 8.005 840 HG LEU 103 HG LEU 103 -1.305 26.500 10.674 841 1HD1 LEU 103 1HD1 LEU 103 -3.952 26.628 10.363 842 2HD1 LEU 103 2HD1 LEU 103 -3.745 24.881 10.533 843 3HD1 LEU 103 3HD1 LEU 103 -3.119 25.986 11.745 844 1HD2 LEU 103 1HD2 LEU 103 -1.072 24.139 10.801 845 2HD2 LEU 103 2HD2 LEU 103 -2.255 23.857 9.556 846 3HD2 LEU 103 3HD2 LEU 103 -0.633 24.396 9.110 847 H MET 104 H MET 104 -1.788 28.248 5.795 848 HA MET 104 HA MET 104 -0.430 26.259 4.079 849 1HB MET 104 1HB MET 104 -2.992 27.644 4.062 850 2HB MET 104 2HB MET 104 -2.176 27.635 2.491 851 1HG MET 104 1HG MET 104 -3.683 25.656 2.920 852 2HG MET 104 2HG MET 104 -2.047 25.214 2.441 853 1HE MET 104 1HE MET 104 -0.770 23.086 5.348 854 2HE MET 104 2HE MET 104 -1.157 22.936 3.612 855 3HE MET 104 3HE MET 104 -0.152 24.260 4.199 856 H SER 105 H SER 105 0.492 28.920 5.130 857 HA SER 105 HA SER 105 1.878 29.650 2.595 858 1HB SER 105 1HB SER 105 0.693 31.599 4.175 859 2HB SER 105 2HB SER 105 2.147 31.310 5.147 860 HG SER 105 HG SER 105 3.355 31.684 3.181 861 H LEU 106 H LEU 106 2.470 28.761 6.035 862 HA LEU 106 HA LEU 106 4.881 28.956 6.303 863 1HB LEU 106 1HB LEU 106 3.146 26.701 7.151 864 2HB LEU 106 2HB LEU 106 4.831 26.831 7.610 865 HG LEU 106 HG LEU 106 2.447 28.243 8.626 866 1HD1 LEU 106 1HD1 LEU 106 3.571 26.548 9.860 867 2HD1 LEU 106 2HD1 LEU 106 5.096 27.471 9.796 868 3HD1 LEU 106 3HD1 LEU 106 3.690 28.114 10.686 869 1HD2 LEU 106 1HD2 LEU 106 5.095 29.737 8.586 870 2HD2 LEU 106 2HD2 LEU 106 3.602 30.245 7.747 871 3HD2 LEU 106 3HD2 LEU 106 3.640 30.149 9.509 872 HA PRO 107 HA PRO 107 7.076 26.870 3.225 873 1HB PRO 107 1HB PRO 107 9.650 27.380 3.821 874 2HB PRO 107 2HB PRO 107 8.515 28.691 3.356 875 1HG PRO 107 1HG PRO 107 9.355 27.844 6.154 876 2HG PRO 107 2HG PRO 107 9.289 29.507 5.506 877 1HD PRO 107 1HD PRO 107 7.295 28.268 6.989 878 2HD PRO 107 2HD PRO 107 7.010 29.632 5.866 879 H THR 108 H THR 108 6.862 25.840 6.318 880 HA THR 108 HA THR 108 8.719 23.520 6.085 881 HB THR 108 HB THR 108 7.330 23.017 8.242 882 HG1 THR 108 HG1 THR 108 6.339 24.974 9.094 883 1HG2 THR 108 1HG2 THR 108 9.576 23.994 8.304 884 2HG2 THR 108 2HG2 THR 108 8.799 25.613 8.278 885 3HG2 THR 108 3HG2 THR 108 8.525 24.492 9.646 886 H LYS 109 H LYS 109 6.948 23.805 3.918 887 HA LYS 109 HA LYS 109 4.629 22.244 4.641 888 1HB LYS 109 1HB LYS 109 4.908 23.840 2.474 889 2HB LYS 109 2HB LYS 109 5.759 22.522 1.709 890 1HG LYS 109 1HG LYS 109 3.073 21.850 2.883 891 2HG LYS 109 2HG LYS 109 3.076 22.986 1.527 892 1HD LYS 109 1HD LYS 109 4.140 21.425 0.049 893 2HD LYS 109 2HD LYS 109 4.545 20.329 1.365 894 1HE LYS 109 1HE LYS 109 2.691 19.397 0.143 895 2HE LYS 109 2HE LYS 109 2.153 19.848 1.766 896 1HZ LYS 109 1HZ LYS 109 0.581 20.487 0.088 897 2HZ LYS 109 2HZ LYS 109 1.190 21.836 0.806 898 3HZ LYS 109 3HZ LYS 109 1.701 21.399 -0.699 899 H ILE 110 H ILE 110 7.701 21.220 4.129 900 HA ILE 110 HA ILE 110 6.818 18.422 3.661 901 HB ILE 110 HB ILE 110 9.617 19.581 4.023 902 1HG1 ILE 110 1HG1 ILE 110 8.111 18.766 1.487 903 2HG1 ILE 110 2HG1 ILE 110 8.481 20.425 1.980 904 1HG2 ILE 110 1HG2 ILE 110 8.734 16.821 3.065 905 2HG2 ILE 110 2HG2 ILE 110 10.409 17.407 3.143 906 3HG2 ILE 110 3HG2 ILE 110 9.507 17.175 4.625 907 1HD1 ILE 110 1HD1 ILE 110 10.488 18.321 1.123 908 2HD1 ILE 110 2HD1 ILE 110 10.068 19.843 0.329 909 3HD1 ILE 110 3HD1 ILE 110 10.929 19.874 1.880 910 H SER 111 H SER 111 8.014 20.467 6.265 911 HA SER 111 HA SER 111 8.301 18.228 8.093 912 1HB SER 111 1HB SER 111 8.383 21.166 8.794 913 2HB SER 111 2HB SER 111 9.098 19.809 9.666 914 HG SER 111 HG SER 111 10.432 19.479 7.789 915 H ARG 112 H ARG 112 6.088 20.864 7.535 916 HA ARG 112 HA ARG 112 4.353 20.366 9.785 917 1HB ARG 112 1HB ARG 112 4.848 22.587 8.661 918 2HB ARG 112 2HB ARG 112 3.870 22.005 7.285 919 1HG ARG 112 1HG ARG 112 1.870 21.927 8.735 920 2HG ARG 112 2HG ARG 112 2.868 22.416 10.120 921 1HD ARG 112 1HD ARG 112 1.790 24.384 9.287 922 2HD ARG 112 2HD ARG 112 3.491 24.510 8.861 923 HE ARG 112 HE ARG 112 1.157 24.250 7.108 924 1HH1 ARG 112 1HH1 ARG 112 4.747 24.209 7.163 925 2HH1 ARG 112 2HH1 ARG 112 4.813 24.792 5.517 926 1HH2 ARG 112 1HH2 ARG 112 1.418 25.145 5.096 927 2HH2 ARG 112 2HH2 ARG 112 2.988 25.225 4.320 928 H CYS 113 H CYS 113 4.600 19.137 6.569 929 HA CYS 113 HA CYS 113 2.072 18.625 5.705 930 1HB CYS 113 1HB CYS 113 3.773 17.888 4.309 931 2HB CYS 113 2HB CYS 113 4.529 16.853 5.514 932 HG CYS 113 HG CYS 113 2.571 15.128 5.593 933 HA PRO 114 HA PRO 114 1.076 14.835 8.312 934 1HB PRO 114 1HB PRO 114 2.745 13.934 10.330 935 2HB PRO 114 2HB PRO 114 2.927 13.407 8.631 936 1HG PRO 114 1HG PRO 114 4.405 15.664 10.025 937 2HG PRO 114 2HG PRO 114 5.111 14.325 9.073 938 1HD PRO 114 1HD PRO 114 4.687 16.732 7.946 939 2HD PRO 114 2HD PRO 114 4.299 15.241 7.037 940 H HIS 115 H HIS 115 2.614 17.499 9.967 941 HA HIS 115 HA HIS 115 0.918 17.186 12.234 942 1HB HIS 115 1HB HIS 115 3.072 18.665 11.946 943 2HB HIS 115 2HB HIS 115 1.938 19.922 11.458 944 HD1 HIS 115 HD1 HIS 115 1.296 17.328 14.215 945 HD2 HIS 115 HD2 HIS 115 2.169 21.424 13.868 946 HE1 HIS 115 HE1 HIS 115 1.063 18.349 16.514 947 H LEU 116 H LEU 116 0.552 19.347 9.293 948 HA LEU 116 HA LEU 116 -1.777 20.181 10.129 949 1HB LEU 116 1HB LEU 116 -0.475 20.995 8.019 950 2HB LEU 116 2HB LEU 116 -1.329 19.744 7.116 951 HG LEU 116 HG LEU 116 -2.223 22.340 8.174 952 1HD1 LEU 116 1HD1 LEU 116 -3.938 22.174 6.291 953 2HD1 LEU 116 2HD1 LEU 116 -2.446 21.496 5.600 954 3HD1 LEU 116 3HD1 LEU 116 -3.713 20.437 6.216 955 1HD2 LEU 116 1HD2 LEU 116 -4.379 22.089 8.534 956 2HD2 LEU 116 2HD2 LEU 116 -4.344 20.324 8.332 957 3HD2 LEU 116 3HD2 LEU 116 -3.484 21.155 9.674 958 H LEU 117 H LEU 117 -1.087 17.441 8.019 959 HA LEU 117 HA LEU 117 -3.756 16.446 7.583 960 1HB LEU 117 1HB LEU 117 -1.119 14.948 7.828 961 2HB LEU 117 2HB LEU 117 -2.660 14.188 7.551 962 HG LEU 117 HG LEU 117 -2.610 15.941 5.318 963 1HD1 LEU 117 1HD1 LEU 117 0.203 15.134 5.983 964 2HD1 LEU 117 2HD1 LEU 117 -0.406 15.386 4.335 965 3HD1 LEU 117 3HD1 LEU 117 -0.462 16.725 5.466 966 1HD2 LEU 117 1HD2 LEU 117 -1.454 13.184 5.395 967 2HD2 LEU 117 2HD2 LEU 117 -3.213 13.503 5.578 968 3HD2 LEU 117 3HD2 LEU 117 -2.391 14.065 4.155 969 H ASP 118 H ASP 118 -1.623 16.029 10.379 970 HA ASP 118 HA ASP 118 -3.655 14.462 11.761 971 1HB ASP 118 1HB ASP 118 -1.051 15.928 12.516 972 2HB ASP 118 2HB ASP 118 -2.005 15.209 13.771 973 H PHE 119 H PHE 119 -3.610 17.723 11.088 974 HA PHE 119 HA PHE 119 -4.795 18.755 13.593 975 1HB PHE 119 1HB PHE 119 -3.246 19.845 11.540 976 2HB PHE 119 2HB PHE 119 -4.845 20.159 10.867 977 HD1 PHE 119 HD1 PHE 119 -2.303 22.211 11.395 978 HD2 PHE 119 HD2 PHE 119 -5.968 21.158 13.437 979 HE1 PHE 119 HE1 PHE 119 -2.349 24.286 12.519 980 HE2 PHE 119 HE2 PHE 119 -6.003 23.378 14.561 981 HZ PHE 119 HZ PHE 119 -4.135 24.961 14.086 982 H PHE 120 H PHE 120 -5.475 17.932 10.311 983 HA PHE 120 HA PHE 120 -8.391 18.318 10.592 984 1HB PHE 120 1HB PHE 120 -6.392 17.630 8.330 985 2HB PHE 120 2HB PHE 120 -8.116 17.903 8.093 986 HD1 PHE 120 HD1 PHE 120 -6.608 19.362 6.429 987 HD2 PHE 120 HD2 PHE 120 -7.322 20.325 10.548 988 HE1 PHE 120 HE1 PHE 120 -6.396 21.764 5.900 989 HE2 PHE 120 HE2 PHE 120 -7.103 22.713 10.046 990 HZ PHE 120 HZ PHE 120 -6.662 23.452 7.736 991 H LYS 121 H LYS 121 -6.294 15.610 9.623 992 HA LYS 121 HA LYS 121 -8.484 13.872 9.259 993 1HB LYS 121 1HB LYS 121 -7.135 12.309 8.543 994 2HB LYS 121 2HB LYS 121 -6.086 13.712 8.351 995 1HG LYS 121 1HG LYS 121 -5.230 13.009 10.752 996 2HG LYS 121 2HG LYS 121 -6.000 11.461 10.368 997 1HD LYS 121 1HD LYS 121 -3.691 12.868 9.003 998 2HD LYS 121 2HD LYS 121 -3.671 11.285 9.760 999 1HE LYS 121 1HE LYS 121 -5.019 10.340 7.916 1000 2HE LYS 121 2HE LYS 121 -5.212 11.944 7.193 1001 1HZ LYS 121 1HZ LYS 121 -2.769 12.003 6.986 1002 2HZ LYS 121 2HZ LYS 121 -2.725 10.407 7.343 1003 3HZ LYS 121 3HZ LYS 121 -3.533 10.932 6.017 1004 H VAL 122 H VAL 122 -6.973 14.969 12.128 1005 HA VAL 122 HA VAL 122 -8.099 12.788 13.767 1006 HB VAL 122 HB VAL 122 -6.390 15.134 14.612 1007 1HG1 VAL 122 1HG1 VAL 122 -5.977 13.738 16.612 1008 2HG1 VAL 122 2HG1 VAL 122 -7.698 14.132 16.466 1009 3HG1 VAL 122 3HG1 VAL 122 -7.117 12.517 16.008 1010 1HG2 VAL 122 1HG2 VAL 122 -5.237 13.676 12.975 1011 2HG2 VAL 122 2HG2 VAL 122 -4.580 13.353 14.576 1012 3HG2 VAL 122 3HG2 VAL 122 -5.757 12.233 13.837 1013 H ARG 123 H ARG 123 -8.332 16.385 13.472 1014 HA ARG 123 HA ARG 123 -10.058 17.801 14.290 1015 1HB ARG 123 1HB ARG 123 -12.194 17.244 13.269 1016 2HB ARG 123 2HB ARG 123 -10.824 17.280 12.168 1017 1HG ARG 123 1HG ARG 123 -10.756 14.737 12.182 1018 2HG ARG 123 2HG ARG 123 -12.134 14.750 13.285 1019 1HD ARG 123 1HD ARG 123 -13.219 14.452 11.319 1020 2HD ARG 123 2HD ARG 123 -13.191 16.234 11.378 1021 HE ARG 123 HE ARG 123 -10.858 15.400 10.067 1022 1HH1 ARG 123 1HH1 ARG 123 -14.376 15.578 9.618 1023 2HH1 ARG 123 2HH1 ARG 123 -14.298 15.741 7.892 1024 1HH2 ARG 123 1HH2 ARG 123 -10.740 15.494 7.779 1025 2HH2 ARG 123 2HH2 ARG 123 -12.187 15.660 6.815 1026 HA PRO 124 HA PRO 124 -11.640 15.473 17.798 1027 1HB PRO 124 1HB PRO 124 -10.270 16.524 19.958 1028 2HB PRO 124 2HB PRO 124 -9.501 15.338 18.867 1029 1HG PRO 124 1HG PRO 124 -9.337 18.355 18.699 1030 2HG PRO 124 2HG PRO 124 -7.970 17.204 18.730 1031 1HD PRO 124 1HD PRO 124 -9.013 18.190 16.396 1032 2HD PRO 124 2HD PRO 124 -8.382 16.524 16.499 1033 H ASP 125 H ASP 125 -12.718 17.561 16.348 1034 HA ASP 125 HA ASP 125 -14.627 18.288 18.334 1035 1HB ASP 125 1HB ASP 125 -12.968 20.216 18.368 1036 2HB ASP 125 2HB ASP 125 -13.500 20.630 16.748 1037 H ASP 126 H ASP 126 -14.009 16.909 15.538 1038 HA ASP 126 HA ASP 126 -16.605 17.637 14.320 1039 1HB ASP 126 1HB ASP 126 -14.616 17.513 12.781 1040 2HB ASP 126 2HB ASP 126 -14.321 15.866 13.338 1041 H LEU 127 H LEU 127 -14.540 14.777 15.217 1042 HA LEU 127 HA LEU 127 -16.943 13.360 16.210 1043 1HB LEU 127 1HB LEU 127 -14.792 12.513 14.169 1044 2HB LEU 127 2HB LEU 127 -15.739 11.268 14.869 1045 HG LEU 127 HG LEU 127 -17.239 13.489 13.260 1046 1HD1 LEU 127 1HD1 LEU 127 -15.746 12.132 11.851 1047 2HD1 LEU 127 2HD1 LEU 127 -16.459 10.649 12.540 1048 3HD1 LEU 127 3HD1 LEU 127 -17.468 11.776 11.603 1049 1HD2 LEU 127 1HD2 LEU 127 -19.049 11.867 13.395 1050 2HD2 LEU 127 2HD2 LEU 127 -18.086 10.804 14.435 1051 3HD2 LEU 127 3HD2 LEU 127 -18.606 12.401 15.018 1052 H LYS 128 H LYS 128 -14.543 14.717 17.430 1053 HA LYS 128 HA LYS 128 -14.101 12.658 19.371 1054 1HB LYS 128 1HB LYS 128 -12.048 13.335 17.301 1055 2HB LYS 128 2HB LYS 128 -11.380 13.662 18.878 1056 1HG LYS 128 1HG LYS 128 -12.724 10.993 18.326 1057 2HG LYS 128 2HG LYS 128 -11.069 11.336 17.833 1058 1HD LYS 128 1HD LYS 128 -11.027 10.195 19.943 1059 2HD LYS 128 2HD LYS 128 -10.398 11.839 20.130 1060 1HE LYS 128 1HE LYS 128 -12.523 12.562 21.158 1061 2HE LYS 128 2HE LYS 128 -13.232 10.957 20.877 1062 1HZ LYS 128 1HZ LYS 128 -11.592 10.075 22.381 1063 2HZ LYS 128 2HZ LYS 128 -10.931 11.572 22.602 1064 3HZ LYS 128 3HZ LYS 128 -12.466 11.267 23.109 1065 H LEU 129 H LEU 129 -15.560 14.792 19.252 1066 HA LEU 129 HA LEU 129 -14.803 17.239 20.247 1067 1HB LEU 129 1HB LEU 129 -17.260 15.477 20.731 1068 2HB LEU 129 2HB LEU 129 -17.315 17.157 21.116 1069 HG LEU 129 HG LEU 129 -16.749 16.498 18.125 1070 1HD1 LEU 129 1HD1 LEU 129 -18.479 14.932 18.845 1071 2HD1 LEU 129 2HD1 LEU 129 -19.381 16.268 19.605 1072 3HD1 LEU 129 3HD1 LEU 129 -19.133 16.244 17.839 1073 1HD2 LEU 129 1HD2 LEU 129 -18.446 18.574 19.579 1074 2HD2 LEU 129 2HD2 LEU 129 -16.821 18.857 18.922 1075 3HD2 LEU 129 3HD2 LEU 129 -18.165 18.428 17.841 1076 HA PRO 130 HA PRO 130 -13.929 16.782 24.510 1077 1HB PRO 130 1HB PRO 130 -15.952 18.721 25.477 1078 2HB PRO 130 2HB PRO 130 -14.177 18.820 25.575 1079 1HG PRO 130 1HG PRO 130 -15.575 20.413 23.846 1080 2HG PRO 130 2HG PRO 130 -14.023 19.668 23.347 1081 1HD PRO 130 1HD PRO 130 -16.821 18.618 22.874 1082 2HD PRO 130 2HD PRO 130 -15.562 18.933 21.650 Start of MODEL 8 1 1H GLY 1 1H GLY 1 2.524 1.681 -4.194 2 2H GLY 1 2H GLY 1 1.014 2.363 -4.128 3 3H GLY 1 3H GLY 1 2.238 3.012 -3.252 4 1HA GLY 1 1HA GLY 1 1.079 0.348 -2.839 5 2HA GLY 1 2HA GLY 1 2.369 1.092 -1.866 6 H SER 2 H SER 2 0.577 0.535 -0.167 7 HA SER 2 HA SER 2 -1.819 1.958 -0.036 8 1HB SER 2 1HB SER 2 -0.080 1.005 2.279 9 2HB SER 2 2HB SER 2 -1.835 1.285 2.308 10 HG SER 2 HG SER 2 -1.316 -0.926 1.970 11 H MET 3 H MET 3 -2.378 3.986 1.124 12 HA MET 3 HA MET 3 -0.252 5.581 2.318 13 1HB MET 3 1HB MET 3 0.084 5.980 -0.085 14 2HB MET 3 2HB MET 3 -1.612 6.414 -0.282 15 1HG MET 3 1HG MET 3 -0.012 8.337 -0.197 16 2HG MET 3 2HG MET 3 -1.339 8.436 0.941 17 1HE MET 3 1HE MET 3 2.485 7.751 0.466 18 2HE MET 3 2HE MET 3 3.029 7.485 2.139 19 3HE MET 3 3HE MET 3 1.992 6.282 1.343 20 H GLY 4 H GLY 4 -1.908 4.887 4.014 21 1HA GLY 4 1HA GLY 4 -4.548 6.144 3.955 22 2HA GLY 4 2HA GLY 4 -3.802 5.234 5.286 23 H ASP 5 H ASP 5 -3.145 8.216 3.453 24 HA ASP 5 HA ASP 5 -3.605 9.888 5.688 25 1HB ASP 5 1HB ASP 5 -1.168 9.006 6.253 26 2HB ASP 5 2HB ASP 5 -0.632 9.601 4.701 27 H THR 6 H THR 6 -1.756 9.589 2.656 28 HA THR 6 HA THR 6 -1.460 10.803 0.842 29 HB THR 6 HB THR 6 -3.629 9.785 0.468 30 HG1 THR 6 HG1 THR 6 -3.971 11.054 -1.356 31 1HG2 THR 6 1HG2 THR 6 -5.035 10.929 1.961 32 2HG2 THR 6 2HG2 THR 6 -4.548 12.532 1.372 33 3HG2 THR 6 3HG2 THR 6 -5.497 11.472 0.313 34 H PHE 7 H PHE 7 -3.003 13.176 0.064 35 HA PHE 7 HA PHE 7 -1.541 15.226 1.701 36 1HB PHE 7 1HB PHE 7 -1.302 14.901 -1.251 37 2HB PHE 7 2HB PHE 7 -0.344 15.885 -0.189 38 HD1 PHE 7 HD1 PHE 7 -0.730 12.349 -1.539 39 HD2 PHE 7 HD2 PHE 7 1.093 14.488 1.814 40 HE1 PHE 7 HE1 PHE 7 0.725 10.500 -1.095 41 HE2 PHE 7 HE2 PHE 7 2.508 12.595 2.196 42 HZ PHE 7 HZ PHE 7 2.373 10.578 0.762 43 H ILE 8 H ILE 8 -1.992 17.487 0.671 44 HA ILE 8 HA ILE 8 -4.901 17.565 0.210 45 HB ILE 8 HB ILE 8 -3.191 19.001 2.269 46 1HG1 ILE 8 1HG1 ILE 8 -5.648 17.172 2.197 47 2HG1 ILE 8 2HG1 ILE 8 -4.045 16.806 2.869 48 1HG2 ILE 8 1HG2 ILE 8 -5.017 20.391 2.957 49 2HG2 ILE 8 2HG2 ILE 8 -4.528 20.790 1.338 50 3HG2 ILE 8 3HG2 ILE 8 -6.019 19.830 1.602 51 1HD1 ILE 8 1HD1 ILE 8 -6.140 18.687 3.899 52 2HD1 ILE 8 2HD1 ILE 8 -5.503 17.211 4.660 53 3HD1 ILE 8 3HD1 ILE 8 -4.455 18.651 4.520 54 H ARG 9 H ARG 9 -5.907 19.496 -0.422 55 HA ARG 9 HA ARG 9 -4.417 20.716 -2.659 56 1HB ARG 9 1HB ARG 9 -6.946 19.560 -2.651 57 2HB ARG 9 2HB ARG 9 -7.437 21.144 -2.125 58 1HG ARG 9 1HG ARG 9 -5.863 20.473 -4.651 59 2HG ARG 9 2HG ARG 9 -7.581 20.890 -4.545 60 1HD ARG 9 1HD ARG 9 -6.966 23.148 -3.673 61 2HD ARG 9 2HD ARG 9 -5.245 22.727 -3.871 62 HE ARG 9 HE ARG 9 -6.573 22.282 -6.333 63 1HH1 ARG 9 1HH1 ARG 9 -5.526 24.937 -4.240 64 2HH1 ARG 9 2HH1 ARG 9 -5.237 26.049 -5.551 65 1HH2 ARG 9 1HH2 ARG 9 -6.195 23.744 -8.073 66 2HH2 ARG 9 2HH2 ARG 9 -5.629 25.358 -7.758 67 H HIS 10 H HIS 10 -6.751 21.668 -0.098 68 HA HIS 10 HA HIS 10 -5.113 23.593 1.081 69 1HB HIS 10 1HB HIS 10 -5.444 25.532 -0.097 70 2HB HIS 10 2HB HIS 10 -5.895 24.565 -1.462 71 HD1 HIS 10 HD1 HIS 10 -6.952 27.546 -0.432 72 HD2 HIS 10 HD2 HIS 10 -9.074 23.957 -0.767 73 HE1 HIS 10 HE1 HIS 10 -9.427 28.117 -0.666 74 H ILE 11 H ILE 11 -6.464 25.504 2.120 75 HA ILE 11 HA ILE 11 -8.682 24.231 3.531 76 HB ILE 11 HB ILE 11 -7.292 26.571 4.767 77 1HG1 ILE 11 1HG1 ILE 11 -5.963 23.849 4.716 78 2HG1 ILE 11 2HG1 ILE 11 -5.376 25.365 4.042 79 1HG2 ILE 11 1HG2 ILE 11 -8.608 24.012 5.788 80 2HG2 ILE 11 2HG2 ILE 11 -7.918 25.265 6.840 81 3HG2 ILE 11 3HG2 ILE 11 -9.278 25.636 5.800 82 1HD1 ILE 11 1HD1 ILE 11 -4.245 24.932 6.137 83 2HD1 ILE 11 2HD1 ILE 11 -5.197 26.428 6.192 84 3HD1 ILE 11 3HD1 ILE 11 -5.760 24.969 7.028 85 H ALA 12 H ALA 12 -10.586 25.544 4.040 86 HA ALA 12 HA ALA 12 -10.743 28.235 2.869 87 1HB ALA 12 1HB ALA 12 -13.022 27.596 2.018 88 2HB ALA 12 2HB ALA 12 -11.732 26.724 1.169 89 3HB ALA 12 3HB ALA 12 -12.684 25.901 2.419 90 H LEU 13 H LEU 13 -12.077 29.487 4.451 91 HA LEU 13 HA LEU 13 -12.874 27.880 6.741 92 1HB LEU 13 1HB LEU 13 -10.978 29.388 6.980 93 2HB LEU 13 2HB LEU 13 -12.024 30.764 6.714 94 HG LEU 13 HG LEU 13 -11.716 28.805 9.127 95 1HD1 LEU 13 1HD1 LEU 13 -10.046 30.254 9.328 96 2HD1 LEU 13 2HD1 LEU 13 -10.914 31.596 8.544 97 3HD1 LEU 13 3HD1 LEU 13 -11.348 31.141 10.176 98 1HD2 LEU 13 1HD2 LEU 13 -13.567 31.141 9.302 99 2HD2 LEU 13 2HD2 LEU 13 -14.082 29.413 9.199 100 3HD2 LEU 13 3HD2 LEU 13 -13.091 29.962 10.537 101 H LEU 14 H LEU 14 -14.967 28.139 7.545 102 HA LEU 14 HA LEU 14 -16.764 29.500 5.589 103 1HB LEU 14 1HB LEU 14 -16.934 26.962 7.005 104 2HB LEU 14 2HB LEU 14 -17.948 27.961 7.920 105 HG LEU 14 HG LEU 14 -19.087 28.710 5.714 106 1HD1 LEU 14 1HD1 LEU 14 -18.847 27.204 3.736 107 2HD1 LEU 14 2HD1 LEU 14 -17.314 28.011 4.067 108 3HD1 LEU 14 3HD1 LEU 14 -17.548 26.338 4.541 109 1HD2 LEU 14 1HD2 LEU 14 -20.475 26.707 5.548 110 2HD2 LEU 14 2HD2 LEU 14 -19.254 25.756 6.413 111 3HD2 LEU 14 3HD2 LEU 14 -20.104 27.076 7.242 112 H GLY 15 H GLY 15 -16.144 29.315 9.033 113 1HA GLY 15 1HA GLY 15 -16.051 31.982 9.590 114 2HA GLY 15 2HA GLY 15 -17.788 31.826 9.348 115 H PHE 16 H PHE 16 -18.982 31.506 11.069 116 HA PHE 16 HA PHE 16 -17.694 31.147 13.648 117 1HB PHE 16 1HB PHE 16 -20.570 31.654 12.908 118 2HB PHE 16 2HB PHE 16 -19.900 31.819 14.491 119 HD1 PHE 16 HD1 PHE 16 -20.391 33.698 11.263 120 HD2 PHE 16 HD2 PHE 16 -17.874 33.679 14.848 121 HE1 PHE 16 HE1 PHE 16 -19.686 35.936 10.837 122 HE2 PHE 16 HE2 PHE 16 -17.222 35.918 14.350 123 HZ PHE 16 HZ PHE 16 -18.102 37.100 12.348 124 H GLU 17 H GLU 17 -19.384 29.981 15.252 125 HA GLU 17 HA GLU 17 -20.956 27.832 14.681 126 1HB GLU 17 1HB GLU 17 -18.191 27.003 14.449 127 2HB GLU 17 2HB GLU 17 -18.933 26.243 15.859 128 1HG GLU 17 1HG GLU 17 -20.117 26.227 13.063 129 2HG GLU 17 2HG GLU 17 -19.243 24.885 13.818 130 H LYS 18 H LYS 18 -20.966 26.350 16.933 131 HA LYS 18 HA LYS 18 -21.020 28.215 19.134 132 1HB LYS 18 1HB LYS 18 -23.497 26.613 18.708 133 2HB LYS 18 2HB LYS 18 -23.211 28.121 19.565 134 1HG LYS 18 1HG LYS 18 -24.489 28.806 17.778 135 2HG LYS 18 2HG LYS 18 -22.875 29.140 17.163 136 1HD LYS 18 1HD LYS 18 -23.057 26.672 16.178 137 2HD LYS 18 2HD LYS 18 -24.768 26.814 16.557 138 1HE LYS 18 1HE LYS 18 -24.970 28.757 15.053 139 2HE LYS 18 2HE LYS 18 -23.216 28.753 14.778 140 1HZ LYS 18 1HZ LYS 18 -25.063 26.603 14.001 141 2HZ LYS 18 2HZ LYS 18 -24.319 27.671 12.989 142 3HZ LYS 18 3HZ LYS 18 -23.433 26.559 13.822 143 H ARG 19 H ARG 19 -20.139 27.093 20.845 144 HA ARG 19 HA ARG 19 -20.868 24.335 21.545 145 1HB ARG 19 1HB ARG 19 -18.018 25.420 21.426 146 2HB ARG 19 2HB ARG 19 -18.477 23.928 22.243 147 1HG ARG 19 1HG ARG 19 -18.819 24.412 19.267 148 2HG ARG 19 2HG ARG 19 -17.435 23.604 20.008 149 1HD ARG 19 1HD ARG 19 -18.855 21.860 20.965 150 2HD ARG 19 2HD ARG 19 -20.305 22.585 20.265 151 HE ARG 19 HE ARG 19 -18.312 20.958 18.939 152 1HH1 ARG 19 1HH1 ARG 19 -20.719 23.522 18.418 153 2HH1 ARG 19 2HH1 ARG 19 -20.710 23.391 16.698 154 1HH2 ARG 19 1HH2 ARG 19 -18.425 20.635 16.662 155 2HH2 ARG 19 2HH2 ARG 19 -19.548 21.571 15.712 156 H PHE 20 H PHE 20 -22.147 24.971 23.223 157 HA PHE 20 HA PHE 20 -21.247 27.080 24.905 158 1HB PHE 20 1HB PHE 20 -23.575 25.084 25.337 159 2HB PHE 20 2HB PHE 20 -23.756 26.728 25.745 160 HD1 PHE 20 HD1 PHE 20 -24.278 24.153 22.951 161 HD2 PHE 20 HD2 PHE 20 -23.963 28.499 23.503 162 HE1 PHE 20 HE1 PHE 20 -25.296 24.545 20.862 163 HE2 PHE 20 HE2 PHE 20 -25.002 28.788 21.389 164 HZ PHE 20 HZ PHE 20 -25.698 26.842 20.019 165 H VAL 21 H VAL 21 -20.878 23.685 24.785 166 HA VAL 21 HA VAL 21 -20.320 23.532 27.579 167 HB VAL 21 HB VAL 21 -21.490 21.001 26.902 168 1HG1 VAL 21 1HG1 VAL 21 -23.589 21.863 27.799 169 2HG1 VAL 21 2HG1 VAL 21 -22.264 22.617 28.724 170 3HG1 VAL 21 3HG1 VAL 21 -23.100 23.536 27.451 171 1HG2 VAL 21 1HG2 VAL 21 -21.645 21.591 24.653 172 2HG2 VAL 21 2HG2 VAL 21 -23.119 21.031 25.485 173 3HG2 VAL 21 3HG2 VAL 21 -22.940 22.759 25.096 174 HA PRO 22 HA PRO 22 -19.710 21.162 28.608 175 1HB PRO 22 1HB PRO 22 -17.462 20.421 29.954 176 2HB PRO 22 2HB PRO 22 -18.273 19.370 28.757 177 1HG PRO 22 1HG PRO 22 -15.916 21.211 28.288 178 2HG PRO 22 2HG PRO 22 -16.062 19.485 27.840 179 1HD PRO 22 1HD PRO 22 -16.584 21.531 26.117 180 2HD PRO 22 2HD PRO 22 -17.515 20.003 26.027 181 H SER 23 H SER 23 -17.610 23.522 27.559 182 HA SER 23 HA SER 23 -18.052 25.228 29.892 183 1HB SER 23 1HB SER 23 -15.397 24.771 28.314 184 2HB SER 23 2HB SER 23 -15.598 26.184 29.332 185 HG SER 23 HG SER 23 -14.621 24.366 30.382 186 H GLN 24 H GLN 24 -17.692 27.678 29.221 187 HA GLN 24 HA GLN 24 -19.392 28.053 26.961 188 1HB GLN 24 1HB GLN 24 -18.004 30.161 28.560 189 2HB GLN 24 2HB GLN 24 -19.482 30.240 27.632 190 1HG GLN 24 1HG GLN 24 -19.269 28.676 30.377 191 2HG GLN 24 2HG GLN 24 -20.291 30.045 30.104 192 1HE2 GLN 24 1HE2 GLN 24 -20.039 26.711 30.025 193 2HE2 GLN 24 2HE2 GLN 24 -21.438 26.353 29.025 194 H HIS 25 H HIS 25 -18.391 28.150 24.777 195 HA HIS 25 HA HIS 25 -16.438 30.148 24.381 196 1HB HIS 25 1HB HIS 25 -14.967 28.034 23.371 197 2HB HIS 25 2HB HIS 25 -14.653 28.679 25.008 198 HD1 HIS 25 HD1 HIS 25 -17.276 26.269 23.553 199 HD2 HIS 25 HD2 HIS 25 -14.096 26.252 26.282 200 HE1 HIS 25 HE1 HIS 25 -17.190 23.973 24.577 201 H TYR 26 H TYR 26 -17.340 30.900 22.271 202 HA TYR 26 HA TYR 26 -18.447 28.846 20.557 203 1HB TYR 26 1HB TYR 26 -17.971 31.828 20.294 204 2HB TYR 26 2HB TYR 26 -18.145 30.921 18.843 205 HD1 TYR 26 HD1 TYR 26 -20.255 29.825 21.872 206 HD2 TYR 26 HD2 TYR 26 -20.388 32.102 18.128 207 HE1 TYR 26 HE1 TYR 26 -22.623 29.904 21.953 208 HE2 TYR 26 HE2 TYR 26 -22.761 32.132 18.287 209 HH TYR 26 HH TYR 26 -24.628 31.565 19.504 210 H VAL 27 H VAL 27 -17.704 28.389 18.349 211 HA VAL 27 HA VAL 27 -14.756 28.421 18.122 212 HB VAL 27 HB VAL 27 -14.764 26.038 17.724 213 1HG1 VAL 27 1HG1 VAL 27 -14.988 26.756 20.137 214 2HG1 VAL 27 2HG1 VAL 27 -16.705 26.358 19.993 215 3HG1 VAL 27 3HG1 VAL 27 -15.485 25.096 19.755 216 1HG2 VAL 27 1HG2 VAL 27 -17.783 26.102 17.769 217 2HG2 VAL 27 2HG2 VAL 27 -16.748 25.798 16.342 218 3HG2 VAL 27 3HG2 VAL 27 -16.766 24.649 17.680 219 H TYR 28 H TYR 28 -14.070 28.008 15.713 220 HA TYR 28 HA TYR 28 -16.058 29.161 14.037 221 1HB TYR 28 1HB TYR 28 -13.706 29.333 12.597 222 2HB TYR 28 2HB TYR 28 -14.555 30.590 13.513 223 HD1 TYR 28 HD1 TYR 28 -12.118 27.927 14.528 224 HD2 TYR 28 HD2 TYR 28 -13.138 32.094 14.413 225 HE1 TYR 28 HE1 TYR 28 -10.194 28.442 15.880 226 HE2 TYR 28 HE2 TYR 28 -11.172 32.641 15.772 227 HH TYR 28 HH TYR 28 -9.303 31.798 16.852 228 H MET 29 H MET 29 -16.772 28.252 12.197 229 HA MET 29 HA MET 29 -16.332 25.418 11.930 230 1HB MET 29 1HB MET 29 -18.413 26.490 11.723 231 2HB MET 29 2HB MET 29 -17.966 27.338 10.223 232 1HG MET 29 1HG MET 29 -18.776 24.485 10.815 233 2HG MET 29 2HG MET 29 -19.511 25.675 9.751 234 1HE MET 29 1HE MET 29 -16.523 23.457 10.381 235 2HE MET 29 2HE MET 29 -17.878 22.464 9.805 236 3HE MET 29 3HE MET 29 -16.404 22.601 8.820 237 H PHE 30 H PHE 30 -14.597 24.458 10.637 238 HA PHE 30 HA PHE 30 -13.388 26.077 8.595 239 1HB PHE 30 1HB PHE 30 -12.359 24.031 10.586 240 2HB PHE 30 2HB PHE 30 -11.614 24.075 9.033 241 HD1 PHE 30 HD1 PHE 30 -12.694 27.167 11.470 242 HD2 PHE 30 HD2 PHE 30 -9.462 25.327 9.069 243 HE1 PHE 30 HE1 PHE 30 -11.267 28.859 11.941 244 HE2 PHE 30 HE2 PHE 30 -8.088 27.120 9.627 245 HZ PHE 30 HZ PHE 30 -8.888 28.914 11.034 246 H LEU 31 H LEU 31 -13.112 25.350 6.386 247 HA LEU 31 HA LEU 31 -14.154 22.682 5.871 248 1HB LEU 31 1HB LEU 31 -14.140 25.294 4.407 249 2HB LEU 31 2HB LEU 31 -13.959 23.847 3.425 250 HG LEU 31 HG LEU 31 -16.276 24.682 3.645 251 1HD1 LEU 31 1HD1 LEU 31 -15.796 22.396 2.980 252 2HD1 LEU 31 2HD1 LEU 31 -15.783 21.873 4.680 253 3HD1 LEU 31 3HD1 LEU 31 -17.285 22.486 3.955 254 1HD2 LEU 31 1HD2 LEU 31 -16.079 25.265 6.105 255 2HD2 LEU 31 2HD2 LEU 31 -17.550 24.360 5.665 256 3HD2 LEU 31 3HD2 LEU 31 -16.211 23.536 6.471 257 H VAL 32 H VAL 32 -12.680 21.021 5.404 258 HA VAL 32 HA VAL 32 -10.047 21.936 4.439 259 HB VAL 32 HB VAL 32 -9.545 20.727 6.174 260 1HG1 VAL 32 1HG1 VAL 32 -11.556 18.575 5.424 261 2HG1 VAL 32 2HG1 VAL 32 -10.468 18.540 6.830 262 3HG1 VAL 32 3HG1 VAL 32 -11.750 19.760 6.739 263 1HG2 VAL 32 1HG2 VAL 32 -9.458 18.722 3.896 264 2HG2 VAL 32 2HG2 VAL 32 -8.281 20.001 4.240 265 3HG2 VAL 32 3HG2 VAL 32 -8.502 18.648 5.372 266 H LYS 33 H LYS 33 -9.418 21.374 2.300 267 HA LYS 33 HA LYS 33 -11.451 19.867 0.779 268 1HB LYS 33 1HB LYS 33 -11.266 22.270 0.203 269 2HB LYS 33 2HB LYS 33 -9.614 21.929 -0.363 270 1HG LYS 33 1HG LYS 33 -10.472 20.293 -1.989 271 2HG LYS 33 2HG LYS 33 -12.113 20.477 -1.335 272 1HD LYS 33 1HD LYS 33 -12.167 22.836 -2.056 273 2HD LYS 33 2HD LYS 33 -10.502 22.706 -2.644 274 1HE LYS 33 1HE LYS 33 -12.033 22.529 -4.522 275 2HE LYS 33 2HE LYS 33 -11.215 20.974 -4.295 276 1HZ LYS 33 1HZ LYS 33 -13.610 20.782 -4.688 277 2HZ LYS 33 2HZ LYS 33 -13.223 20.155 -3.216 278 3HZ LYS 33 3HZ LYS 33 -13.922 21.600 -3.286 279 H TRP 34 H TRP 34 -10.659 17.694 0.426 280 HA TRP 34 HA TRP 34 -7.754 17.484 0.240 281 1HB TRP 34 1HB TRP 34 -9.896 15.382 0.286 282 2HB TRP 34 2HB TRP 34 -8.185 15.086 0.192 283 HD1 TRP 34 HD1 TRP 34 -10.734 16.595 2.677 284 HE1 TRP 34 HE1 TRP 34 -9.874 16.166 5.077 285 HE3 TRP 34 HE3 TRP 34 -6.222 14.501 1.549 286 HZ2 TRP 34 HZ2 TRP 34 -7.518 15.039 6.338 287 HZ3 TRP 34 HZ3 TRP 34 -4.707 13.778 3.357 288 HH2 TRP 34 HH2 TRP 34 -5.378 13.983 5.752 289 H GLN 35 H GLN 35 -6.795 16.360 -1.712 290 HA GLN 35 HA GLN 35 -8.386 17.068 -4.138 291 1HB GLN 35 1HB GLN 35 -6.190 17.100 -5.343 292 2HB GLN 35 2HB GLN 35 -5.700 17.700 -3.775 293 1HG GLN 35 1HG GLN 35 -5.450 14.795 -4.684 294 2HG GLN 35 2HG GLN 35 -4.228 16.051 -4.782 295 1HE2 GLN 35 1HE2 GLN 35 -5.988 13.943 -2.538 296 2HE2 GLN 35 2HE2 GLN 35 -5.011 14.367 -1.135 297 H ASP 36 H ASP 36 -8.194 14.453 -2.228 298 HA ASP 36 HA ASP 36 -8.966 12.667 -4.439 299 1HB ASP 36 1HB ASP 36 -6.581 12.073 -3.506 300 2HB ASP 36 2HB ASP 36 -7.255 11.947 -1.903 301 H LEU 37 H LEU 37 -8.890 12.869 -0.876 302 HA LEU 37 HA LEU 37 -11.376 11.546 -0.470 303 1HB LEU 37 1HB LEU 37 -9.809 13.395 1.245 304 2HB LEU 37 2HB LEU 37 -11.316 12.660 1.727 305 HG LEU 37 HG LEU 37 -10.150 10.283 1.482 306 1HD1 LEU 37 1HD1 LEU 37 -8.349 10.888 -0.044 307 2HD1 LEU 37 2HD1 LEU 37 -7.757 12.127 1.093 308 3HD1 LEU 37 3HD1 LEU 37 -7.683 10.398 1.511 309 1HD2 LEU 37 1HD2 LEU 37 -9.024 12.219 3.427 310 2HD2 LEU 37 2HD2 LEU 37 -10.561 11.305 3.551 311 3HD2 LEU 37 3HD2 LEU 37 -9.020 10.429 3.481 312 H SER 38 H SER 38 -10.823 14.675 -1.759 313 HA SER 38 HA SER 38 -12.230 16.429 -2.307 314 1HB SER 38 1HB SER 38 -14.460 14.275 -1.807 315 2HB SER 38 2HB SER 38 -14.674 15.744 -2.721 316 HG SER 38 HG SER 38 -12.777 13.717 -3.310 317 H GLU 39 H GLU 39 -14.780 17.164 -1.205 318 HA GLU 39 HA GLU 39 -13.821 18.709 0.810 319 1HB GLU 39 1HB GLU 39 -16.531 18.147 -0.404 320 2HB GLU 39 2HB GLU 39 -16.615 18.716 1.239 321 1HG GLU 39 1HG GLU 39 -16.759 20.615 -0.156 322 2HG GLU 39 2HG GLU 39 -15.220 20.686 0.705 323 H LYS 40 H LYS 40 -13.900 18.755 3.081 324 HA LYS 40 HA LYS 40 -15.407 16.776 4.532 325 1HB LYS 40 1HB LYS 40 -12.394 16.562 4.307 326 2HB LYS 40 2HB LYS 40 -13.089 16.469 5.921 327 1HG LYS 40 1HG LYS 40 -13.353 14.300 5.574 328 2HG LYS 40 2HG LYS 40 -14.777 14.751 4.654 329 1HD LYS 40 1HD LYS 40 -12.950 14.884 2.646 330 2HD LYS 40 2HD LYS 40 -12.070 13.820 3.749 331 1HE LYS 40 1HE LYS 40 -13.322 12.211 2.580 332 2HE LYS 40 2HE LYS 40 -14.439 12.558 3.897 333 1HZ LYS 40 1HZ LYS 40 -15.647 12.700 1.913 334 2HZ LYS 40 2HZ LYS 40 -15.359 14.294 2.295 335 3HZ LYS 40 3HZ LYS 40 -14.456 13.547 1.146 336 H VAL 41 H VAL 41 -15.613 17.454 6.847 337 HA VAL 41 HA VAL 41 -15.003 20.305 7.067 338 HB VAL 41 HB VAL 41 -17.050 20.680 7.907 339 1HG1 VAL 41 1HG1 VAL 41 -17.638 18.471 5.901 340 2HG1 VAL 41 2HG1 VAL 41 -18.607 19.911 6.250 341 3HG1 VAL 41 3HG1 VAL 41 -17.030 20.076 5.468 342 1HG2 VAL 41 1HG2 VAL 41 -17.373 17.727 8.447 343 2HG2 VAL 41 2HG2 VAL 41 -17.232 19.043 9.639 344 3HG2 VAL 41 3HG2 VAL 41 -18.670 18.942 8.618 345 H VAL 42 H VAL 42 -14.438 21.203 9.136 346 HA VAL 42 HA VAL 42 -14.176 19.372 11.368 347 HB VAL 42 HB VAL 42 -11.806 19.743 11.755 348 1HG1 VAL 42 1HG1 VAL 42 -12.275 17.910 10.164 349 2HG1 VAL 42 2HG1 VAL 42 -11.999 19.011 8.812 350 3HG1 VAL 42 3HG1 VAL 42 -10.678 18.624 9.921 351 1HG2 VAL 42 1HG2 VAL 42 -10.340 20.973 10.138 352 2HG2 VAL 42 2HG2 VAL 42 -11.804 21.564 9.324 353 3HG2 VAL 42 3HG2 VAL 42 -11.465 22.000 11.021 354 H TYR 43 H TYR 43 -13.625 20.633 13.391 355 HA TYR 43 HA TYR 43 -14.714 23.341 13.141 356 1HB TYR 43 1HB TYR 43 -14.571 21.539 15.528 357 2HB TYR 43 2HB TYR 43 -15.474 23.016 15.332 358 HD1 TYR 43 HD1 TYR 43 -15.253 19.360 13.894 359 HD2 TYR 43 HD2 TYR 43 -17.934 22.803 14.201 360 HE1 TYR 43 HE1 TYR 43 -16.988 18.125 12.976 361 HE2 TYR 43 HE2 TYR 43 -19.636 21.494 13.267 362 HH TYR 43 HH TYR 43 -20.286 19.452 12.389 363 H ARG 44 H ARG 44 -13.688 25.000 14.537 364 HA ARG 44 HA ARG 44 -11.066 24.182 15.661 365 1HB ARG 44 1HB ARG 44 -11.611 26.182 13.457 366 2HB ARG 44 2HB ARG 44 -10.228 26.424 14.529 367 1HG ARG 44 1HG ARG 44 -10.691 23.985 12.792 368 2HG ARG 44 2HG ARG 44 -9.672 25.367 12.383 369 1HD ARG 44 1HD ARG 44 -8.192 25.008 14.243 370 2HD ARG 44 2HD ARG 44 -9.148 23.654 14.852 371 HE ARG 44 HE ARG 44 -7.294 23.673 12.632 372 1HH1 ARG 44 1HH1 ARG 44 -10.214 22.012 13.921 373 2HH1 ARG 44 2HH1 ARG 44 -9.841 20.531 13.092 374 1HH2 ARG 44 1HH2 ARG 44 -6.994 21.785 11.438 375 2HH2 ARG 44 2HH2 ARG 44 -7.915 20.355 11.830 376 H ARG 45 H ARG 45 -10.225 25.728 17.214 377 HA ARG 45 HA ARG 45 -11.812 27.985 17.941 378 1HB ARG 45 1HB ARG 45 -12.094 27.274 20.318 379 2HB ARG 45 2HB ARG 45 -13.028 26.330 19.149 380 1HG ARG 45 1HG ARG 45 -11.434 24.507 19.245 381 2HG ARG 45 2HG ARG 45 -10.438 25.395 20.416 382 1HD ARG 45 1HD ARG 45 -11.913 24.961 22.174 383 2HD ARG 45 2HD ARG 45 -13.327 25.100 21.134 384 HE ARG 45 HE ARG 45 -13.261 22.899 20.518 385 1HH1 ARG 45 1HH1 ARG 45 -10.457 23.445 22.676 386 2HH1 ARG 45 2HH1 ARG 45 -9.746 21.917 22.185 387 1HH2 ARG 45 1HH2 ARG 45 -12.435 20.920 20.185 388 2HH2 ARG 45 2HH2 ARG 45 -10.879 20.436 20.843 389 H PHE 46 H PHE 46 -10.724 29.262 19.630 390 HA PHE 46 HA PHE 46 -8.166 29.869 18.928 391 1HB PHE 46 1HB PHE 46 -8.125 31.134 21.113 392 2HB PHE 46 2HB PHE 46 -9.535 31.413 20.108 393 HD1 PHE 46 HD1 PHE 46 -8.323 30.091 23.324 394 HD2 PHE 46 HD2 PHE 46 -11.790 30.551 20.782 395 HE1 PHE 46 HE1 PHE 46 -9.806 29.561 25.230 396 HE2 PHE 46 HE2 PHE 46 -13.255 30.019 22.695 397 HZ PHE 46 HZ PHE 46 -12.273 29.522 24.924 398 H THR 47 H THR 47 -8.916 28.062 21.900 399 HA THR 47 HA THR 47 -6.216 27.548 22.581 400 HB THR 47 HB THR 47 -8.130 27.335 24.139 401 HG1 THR 47 HG1 THR 47 -6.560 24.986 23.995 402 1HG2 THR 47 1HG2 THR 47 -9.399 25.249 24.245 403 2HG2 THR 47 2HG2 THR 47 -9.692 26.045 22.686 404 3HG2 THR 47 3HG2 THR 47 -8.598 24.642 22.783 405 H GLU 48 H GLU 48 -8.119 25.952 20.098 406 HA GLU 48 HA GLU 48 -6.383 23.618 20.016 407 1HB GLU 48 1HB GLU 48 -8.635 24.652 18.247 408 2HB GLU 48 2HB GLU 48 -7.600 23.378 17.808 409 1HG GLU 48 1HG GLU 48 -9.190 23.493 20.370 410 2HG GLU 48 2HG GLU 48 -9.792 22.674 18.911 411 H ILE 49 H ILE 49 -6.910 26.648 18.141 412 HA ILE 49 HA ILE 49 -4.839 26.067 16.219 413 HB ILE 49 HB ILE 49 -6.039 28.720 17.153 414 1HG1 ILE 49 1HG1 ILE 49 -6.387 28.804 14.600 415 2HG1 ILE 49 2HG1 ILE 49 -6.006 27.083 14.569 416 1HG2 ILE 49 1HG2 ILE 49 -3.776 29.348 16.894 417 2HG2 ILE 49 2HG2 ILE 49 -3.571 28.309 15.482 418 3HG2 ILE 49 3HG2 ILE 49 -4.565 29.782 15.385 419 1HD1 ILE 49 1HD1 ILE 49 -8.000 26.665 16.048 420 2HD1 ILE 49 2HD1 ILE 49 -8.172 28.423 16.227 421 3HD1 ILE 49 3HD1 ILE 49 -8.448 27.634 14.653 422 H TYR 50 H TYR 50 -4.791 27.578 19.444 423 HA TYR 50 HA TYR 50 -1.943 28.014 19.486 424 1HB TYR 50 1HB TYR 50 -3.719 27.443 21.895 425 2HB TYR 50 2HB TYR 50 -2.243 28.335 21.877 426 HD1 TYR 50 HD1 TYR 50 -4.963 29.425 23.066 427 HD2 TYR 50 HD2 TYR 50 -3.309 29.991 19.067 428 HE1 TYR 50 HE1 TYR 50 -6.225 31.454 22.798 429 HE2 TYR 50 HE2 TYR 50 -4.594 31.998 18.860 430 HH TYR 50 HH TYR 50 -6.816 33.184 21.385 431 H GLU 51 H GLU 51 -3.900 25.337 20.819 432 HA GLU 51 HA GLU 51 -1.685 23.942 21.884 433 1HB GLU 51 1HB GLU 51 -4.424 23.027 21.061 434 2HB GLU 51 2HB GLU 51 -3.202 21.872 21.600 435 1HG GLU 51 1HG GLU 51 -2.922 22.917 23.718 436 2HG GLU 51 2HG GLU 51 -3.860 24.342 23.253 437 H PHE 52 H PHE 52 -3.057 23.841 18.626 438 HA PHE 52 HA PHE 52 -1.381 21.764 17.540 439 1HB PHE 52 1HB PHE 52 -3.211 22.609 16.202 440 2HB PHE 52 2HB PHE 52 -2.668 24.233 16.281 441 HD1 PHE 52 HD1 PHE 52 -2.164 20.990 14.596 442 HD2 PHE 52 HD2 PHE 52 -0.377 24.979 14.677 443 HE1 PHE 52 HE1 PHE 52 -1.007 20.548 12.559 444 HE2 PHE 52 HE2 PHE 52 0.732 24.446 12.662 445 HZ PHE 52 HZ PHE 52 0.460 22.284 11.531 446 H HIS 53 H HIS 53 -1.120 25.290 17.207 447 HA HIS 53 HA HIS 53 1.362 25.249 16.068 448 1HB HIS 53 1HB HIS 53 -0.338 27.089 16.208 449 2HB HIS 53 2HB HIS 53 0.290 27.505 17.824 450 HD1 HIS 53 HD1 HIS 53 1.570 26.570 14.427 451 HD2 HIS 53 HD2 HIS 53 2.361 29.538 17.262 452 HE1 HIS 53 HE1 HIS 53 3.280 27.932 13.436 453 H LYS 54 H LYS 54 0.506 25.350 19.368 454 HA LYS 54 HA LYS 54 3.103 25.719 20.562 455 1HB LYS 54 1HB LYS 54 0.578 24.379 21.530 456 2HB LYS 54 2HB LYS 54 2.060 24.328 22.488 457 1HG LYS 54 1HG LYS 54 2.087 26.613 22.918 458 2HG LYS 54 2HG LYS 54 0.989 26.998 21.587 459 1HD LYS 54 1HD LYS 54 -0.079 27.192 23.835 460 2HD LYS 54 2HD LYS 54 -0.907 26.088 22.741 461 1HE LYS 54 1HE LYS 54 0.215 24.140 23.889 462 2HE LYS 54 2HE LYS 54 0.895 25.289 25.057 463 1HZ LYS 54 1HZ LYS 54 -1.124 24.254 25.815 464 2HZ LYS 54 2HZ LYS 54 -1.375 25.872 25.631 465 3HZ LYS 54 3HZ LYS 54 -1.964 24.810 24.517 466 H THR 55 H THR 55 1.339 22.847 19.500 467 HA THR 55 HA THR 55 3.433 21.001 20.431 468 HB THR 55 HB THR 55 1.172 20.569 18.430 469 HG1 THR 55 HG1 THR 55 0.394 21.103 20.481 470 1HG2 THR 55 1HG2 THR 55 2.913 18.584 19.893 471 2HG2 THR 55 2HG2 THR 55 1.399 18.189 19.029 472 3HG2 THR 55 3HG2 THR 55 2.768 18.843 18.140 473 H LEU 56 H LEU 56 2.734 22.577 17.377 474 HA LEU 56 HA LEU 56 4.818 21.243 16.013 475 1HB LEU 56 1HB LEU 56 3.003 22.909 15.052 476 2HB LEU 56 2HB LEU 56 4.065 24.178 15.583 477 HG LEU 56 HG LEU 56 4.134 23.834 13.305 478 1HD1 LEU 56 1HD1 LEU 56 6.440 24.105 13.004 479 2HD1 LEU 56 2HD1 LEU 56 6.089 24.753 14.617 480 3HD1 LEU 56 3HD1 LEU 56 6.851 23.157 14.421 481 1HD2 LEU 56 1HD2 LEU 56 5.944 21.796 12.688 482 2HD2 LEU 56 2HD2 LEU 56 4.866 20.990 13.832 483 3HD2 LEU 56 3HD2 LEU 56 4.219 21.730 12.364 484 H LYS 57 H LYS 57 4.834 24.277 17.857 485 HA LYS 57 HA LYS 57 7.635 24.655 17.508 486 1HB LYS 57 1HB LYS 57 5.736 25.523 19.751 487 2HB LYS 57 2HB LYS 57 7.356 26.208 19.516 488 1HG LYS 57 1HG LYS 57 6.674 27.427 17.566 489 2HG LYS 57 2HG LYS 57 5.262 26.434 17.327 490 1HD LYS 57 1HD LYS 57 4.706 28.653 18.123 491 2HD LYS 57 2HD LYS 57 4.159 27.439 19.275 492 1HE LYS 57 1HE LYS 57 6.795 28.970 19.577 493 2HE LYS 57 2HE LYS 57 5.254 29.588 20.188 494 1HZ LYS 57 1HZ LYS 57 6.434 28.470 21.894 495 2HZ LYS 57 2HZ LYS 57 5.048 27.649 21.558 496 3HZ LYS 57 3HZ LYS 57 6.498 27.071 21.044 497 H GLU 58 H GLU 58 5.933 22.619 19.735 498 HA GLU 58 HA GLU 58 8.191 22.408 21.515 499 1HB GLU 58 1HB GLU 58 5.527 20.847 21.283 500 2HB GLU 58 2HB GLU 58 6.712 20.371 22.427 501 1HG GLU 58 1HG GLU 58 5.853 23.388 22.361 502 2HG GLU 58 2HG GLU 58 4.930 22.247 23.303 503 H MET 59 H MET 59 6.579 20.181 19.135 504 HA MET 59 HA MET 59 8.599 18.218 19.338 505 1HB MET 59 1HB MET 59 6.969 18.946 16.928 506 2HB MET 59 2HB MET 59 7.742 17.416 17.197 507 1HG MET 59 1HG MET 59 6.143 16.832 18.967 508 2HG MET 59 2HG MET 59 5.335 18.382 18.805 509 1HE MET 59 1HE MET 59 4.067 19.183 16.499 510 2HE MET 59 2HE MET 59 5.419 18.667 15.509 511 3HE MET 59 3HE MET 59 3.807 18.070 15.143 512 H PHE 60 H PHE 60 8.155 20.928 16.983 513 HA PHE 60 HA PHE 60 10.830 20.493 15.928 514 1HB PHE 60 1HB PHE 60 8.712 22.397 15.086 515 2HB PHE 60 2HB PHE 60 10.260 22.088 14.415 516 HD1 PHE 60 HD1 PHE 60 6.739 20.371 14.815 517 HD2 PHE 60 HD2 PHE 60 10.649 19.983 12.888 518 HE1 PHE 60 HE1 PHE 60 5.954 18.615 13.399 519 HE2 PHE 60 HE2 PHE 60 9.777 18.240 11.536 520 HZ PHE 60 HZ PHE 60 7.413 17.519 11.756 521 HA PRO 61 HA PRO 61 11.179 24.337 18.758 522 1HB PRO 61 1HB PRO 61 13.704 24.207 19.702 523 2HB PRO 61 2HB PRO 61 12.380 23.210 20.378 524 1HG PRO 61 1HG PRO 61 14.482 22.387 18.380 525 2HG PRO 61 2HG PRO 61 13.925 21.493 19.822 526 1HD PRO 61 1HD PRO 61 13.079 21.083 17.267 527 2HD PRO 61 2HD PRO 61 12.016 20.717 18.700 528 H ILE 62 H ILE 62 12.998 23.115 16.105 529 HA ILE 62 HA ILE 62 14.474 25.458 15.385 530 HB ILE 62 HB ILE 62 13.429 23.204 13.687 531 1HG1 ILE 62 1HG1 ILE 62 14.725 22.111 15.430 532 2HG1 ILE 62 2HG1 ILE 62 15.654 22.086 13.935 533 1HG2 ILE 62 1HG2 ILE 62 15.703 24.984 13.121 534 2HG2 ILE 62 2HG2 ILE 62 15.129 23.611 12.127 535 3HG2 ILE 62 3HG2 ILE 62 14.090 25.015 12.351 536 1HD1 ILE 62 1HD1 ILE 62 17.091 22.627 15.832 537 2HD1 ILE 62 2HD1 ILE 62 17.001 24.030 14.757 538 3HD1 ILE 62 3HD1 ILE 62 16.073 24.005 16.275 539 H GLU 63 H GLU 63 11.303 24.048 14.464 540 HA GLU 63 HA GLU 63 10.754 26.134 12.588 541 1HB GLU 63 1HB GLU 63 9.537 23.763 13.218 542 2HB GLU 63 2HB GLU 63 8.423 24.928 13.957 543 1HG GLU 63 1HG GLU 63 9.510 24.978 11.119 544 2HG GLU 63 2HG GLU 63 7.981 24.242 11.517 545 H ALA 64 H ALA 64 11.114 26.202 15.946 546 HA ALA 64 HA ALA 64 9.729 28.761 16.136 547 1HB ALA 64 1HB ALA 64 8.654 26.727 17.356 548 2HB ALA 64 2HB ALA 64 10.079 26.724 18.395 549 3HB ALA 64 3HB ALA 64 9.002 28.144 18.397 550 H GLY 65 H GLY 65 12.381 28.252 15.315 551 1HA GLY 65 1HA GLY 65 13.637 30.043 17.188 552 2HA GLY 65 2HA GLY 65 14.334 28.379 17.185 553 H ALA 66 H ALA 66 14.366 27.644 14.589 554 HA ALA 66 HA ALA 66 16.219 29.626 13.503 555 1HB ALA 66 1HB ALA 66 16.783 27.098 13.577 556 2HB ALA 66 2HB ALA 66 15.582 26.956 12.254 557 3HB ALA 66 3HB ALA 66 17.034 27.937 12.029 558 H ILE 67 H ILE 67 13.013 28.703 13.280 559 HA ILE 67 HA ILE 67 12.771 30.282 10.710 560 HB ILE 67 HB ILE 67 10.861 28.177 11.755 561 1HG1 ILE 67 1HG1 ILE 67 13.331 27.958 9.949 562 2HG1 ILE 67 2HG1 ILE 67 12.915 26.969 11.353 563 1HG2 ILE 67 1HG2 ILE 67 10.154 28.149 9.270 564 2HG2 ILE 67 2HG2 ILE 67 9.832 29.655 10.078 565 3HG2 ILE 67 3HG2 ILE 67 11.255 29.514 9.018 566 1HD1 ILE 67 1HD1 ILE 67 11.774 26.785 8.560 567 2HD1 ILE 67 2HD1 ILE 67 12.714 25.591 9.462 568 3HD1 ILE 67 3HD1 ILE 67 11.060 25.966 9.970 569 H ASN 68 H ASN 68 12.628 30.765 13.804 570 HA ASN 68 HA ASN 68 10.095 32.257 13.725 571 1HB ASN 68 1HB ASN 68 11.539 31.026 15.829 572 2HB ASN 68 2HB ASN 68 11.509 32.750 16.184 573 1HD2 ASN 68 1HD2 ASN 68 9.250 30.383 14.641 574 2HD2 ASN 68 2HD2 ASN 68 7.857 30.815 15.597 575 HA PRO 69 HA PRO 69 12.488 36.130 13.922 576 1HB PRO 69 1HB PRO 69 15.210 36.353 13.968 577 2HB PRO 69 2HB PRO 69 14.321 35.778 15.407 578 1HG PRO 69 1HG PRO 69 15.810 34.113 13.368 579 2HG PRO 69 2HG PRO 69 15.751 33.923 15.133 580 1HD PRO 69 1HD PRO 69 14.125 32.529 13.274 581 2HD PRO 69 2HD PRO 69 13.770 32.730 15.027 582 H GLU 70 H GLU 70 14.594 34.297 11.813 583 HA GLU 70 HA GLU 70 14.654 36.471 9.933 584 1HB GLU 70 1HB GLU 70 15.791 34.561 8.408 585 2HB GLU 70 2HB GLU 70 16.502 34.639 9.986 586 1HG GLU 70 1HG GLU 70 14.679 32.687 10.625 587 2HG GLU 70 2HG GLU 70 14.593 32.486 8.899 588 H ASN 71 H ASN 71 12.601 33.754 10.368 589 HA ASN 71 HA ASN 71 10.899 34.711 8.075 590 1HB ASN 71 1HB ASN 71 12.045 32.173 8.222 591 2HB ASN 71 2HB ASN 71 10.765 31.937 9.350 592 1HD2 ASN 71 1HD2 ASN 71 9.099 30.923 8.500 593 2HD2 ASN 71 2HD2 ASN 71 8.453 31.174 6.886 594 H ARG 72 H ARG 72 10.880 36.010 10.484 595 HA ARG 72 HA ARG 72 8.678 35.108 12.128 596 1HB ARG 72 1HB ARG 72 10.580 36.778 12.702 597 2HB ARG 72 2HB ARG 72 9.593 38.022 11.967 598 1HG ARG 72 1HG ARG 72 7.853 37.718 13.607 599 2HG ARG 72 2HG ARG 72 8.475 36.132 14.056 600 1HD ARG 72 1HD ARG 72 10.632 37.385 14.842 601 2HD ARG 72 2HD ARG 72 9.650 38.844 14.720 602 HE ARG 72 HE ARG 72 8.616 38.255 16.683 603 1HH1 ARG 72 1HH1 ARG 72 9.991 35.288 15.264 604 2HH1 ARG 72 2HH1 ARG 72 9.572 34.304 16.643 605 1HH2 ARG 72 1HH2 ARG 72 8.151 36.924 18.516 606 2HH2 ARG 72 2HH2 ARG 72 8.591 35.239 18.500 607 H ILE 73 H ILE 73 7.383 34.595 10.067 608 HA ILE 73 HA ILE 73 5.264 36.642 9.850 609 HB ILE 73 HB ILE 73 6.147 34.999 7.438 610 1HG1 ILE 73 1HG1 ILE 73 6.689 37.417 6.537 611 2HG1 ILE 73 2HG1 ILE 73 6.977 37.813 8.231 612 1HG2 ILE 73 1HG2 ILE 73 3.736 35.767 7.581 613 2HG2 ILE 73 2HG2 ILE 73 4.318 37.428 7.729 614 3HG2 ILE 73 3HG2 ILE 73 4.617 36.501 6.246 615 1HD1 ILE 73 1HD1 ILE 73 9.018 37.194 6.914 616 2HD1 ILE 73 2HD1 ILE 73 8.776 36.117 8.284 617 3HD1 ILE 73 3HD1 ILE 73 8.351 35.572 6.652 618 H ILE 74 H ILE 74 5.408 34.867 11.757 619 HA ILE 74 HA ILE 74 3.533 32.654 11.054 620 HB ILE 74 HB ILE 74 5.695 32.747 13.183 621 1HG1 ILE 74 1HG1 ILE 74 5.694 30.771 10.899 622 2HG1 ILE 74 2HG1 ILE 74 6.484 32.341 10.732 623 1HG2 ILE 74 1HG2 ILE 74 3.656 31.470 13.859 624 2HG2 ILE 74 2HG2 ILE 74 3.728 30.545 12.350 625 3HG2 ILE 74 3HG2 ILE 74 4.994 30.354 13.573 626 1HD1 ILE 74 1HD1 ILE 74 7.953 31.928 12.621 627 2HD1 ILE 74 2HD1 ILE 74 7.188 30.358 12.943 628 3HD1 ILE 74 3HD1 ILE 74 8.075 30.614 11.442 629 HA PRO 75 HA PRO 75 1.337 35.312 13.867 630 1HB PRO 75 1HB PRO 75 -1.124 34.212 14.004 631 2HB PRO 75 2HB PRO 75 -0.440 34.821 12.474 632 1HG PRO 75 1HG PRO 75 -0.355 31.954 13.481 633 2HG PRO 75 2HG PRO 75 -0.963 32.581 11.921 634 1HD PRO 75 1HD PRO 75 1.615 31.639 12.218 635 2HD PRO 75 2HD PRO 75 1.199 32.989 11.120 636 H HIS 76 H HIS 76 3.128 34.039 15.286 637 HA HIS 76 HA HIS 76 2.081 32.216 17.345 638 1HB HIS 76 1HB HIS 76 4.453 32.482 18.255 639 2HB HIS 76 2HB HIS 76 4.232 31.718 16.682 640 HD1 HIS 76 HD1 HIS 76 4.349 35.482 17.319 641 HD2 HIS 76 HD2 HIS 76 6.515 32.467 15.389 642 HE1 HIS 76 HE1 HIS 76 6.192 36.617 15.971 643 H LEU 77 H LEU 77 0.358 33.977 17.763 644 HA LEU 77 HA LEU 77 1.289 36.051 19.676 645 1HB LEU 77 1HB LEU 77 -1.205 35.637 18.013 646 2HB LEU 77 2HB LEU 77 -1.269 36.616 19.475 647 HG LEU 77 HG LEU 77 0.539 38.072 18.649 648 1HD1 LEU 77 1HD1 LEU 77 1.769 36.641 17.104 649 2HD1 LEU 77 2HD1 LEU 77 0.317 36.411 16.100 650 3HD1 LEU 77 3HD1 LEU 77 1.103 37.998 16.197 651 1HD2 LEU 77 1HD2 LEU 77 -1.773 37.801 16.690 652 2HD2 LEU 77 2HD2 LEU 77 -1.864 38.604 18.274 653 3HD2 LEU 77 3HD2 LEU 77 -0.813 39.260 17.006 654 HA PRO 78 HA PRO 78 -0.137 33.556 23.067 655 1HB PRO 78 1HB PRO 78 -0.594 35.404 25.022 656 2HB PRO 78 2HB PRO 78 1.037 35.133 24.345 657 1HG PRO 78 1HG PRO 78 -0.969 37.253 23.506 658 2HG PRO 78 2HG PRO 78 0.734 37.502 23.999 659 1HD PRO 78 1HD PRO 78 0.032 37.294 21.382 660 2HD PRO 78 2HD PRO 78 1.543 36.545 21.981 661 H ALA 79 H ALA 79 -2.059 33.592 24.799 662 HA ALA 79 HA ALA 79 -4.532 33.556 23.271 663 1HB ALA 79 1HB ALA 79 -5.473 32.650 25.351 664 2HB ALA 79 2HB ALA 79 -4.011 31.774 24.840 665 3HB ALA 79 3HB ALA 79 -3.929 32.941 26.183 666 HA PRO 80 HA PRO 80 -5.233 37.754 24.946 667 1HB PRO 80 1HB PRO 80 -7.001 38.693 23.226 668 2HB PRO 80 2HB PRO 80 -5.358 38.288 22.681 669 1HG PRO 80 1HG PRO 80 -7.835 36.564 22.349 670 2HG PRO 80 2HG PRO 80 -6.602 36.960 21.128 671 1HD PRO 80 1HD PRO 80 -6.580 34.670 22.706 672 2HD PRO 80 2HD PRO 80 -5.127 35.398 21.957 673 H LYS 81 H LYS 81 -6.065 36.890 26.936 674 HA LYS 81 HA LYS 81 -8.908 37.284 27.302 675 1HB LYS 81 1HB LYS 81 -9.383 35.131 28.246 676 2HB LYS 81 2HB LYS 81 -8.945 35.016 26.532 677 1HG LYS 81 1HG LYS 81 -6.649 34.309 27.153 678 2HG LYS 81 2HG LYS 81 -7.085 34.341 28.869 679 1HD LYS 81 1HD LYS 81 -8.544 32.705 26.757 680 2HD LYS 81 2HD LYS 81 -7.170 32.096 27.710 681 1HE LYS 81 1HE LYS 81 -8.454 32.526 29.817 682 2HE LYS 81 2HE LYS 81 -9.852 33.035 28.850 683 1HZ LYS 81 1HZ LYS 81 -10.044 30.785 29.530 684 2HZ LYS 81 2HZ LYS 81 -9.919 30.860 27.891 685 3HZ LYS 81 3HZ LYS 81 -8.629 30.371 28.796 686 H TRP 82 H TRP 82 -6.345 38.404 28.145 687 HA TRP 82 HA TRP 82 -6.340 37.927 31.086 688 1HB TRP 82 1HB TRP 82 -4.356 39.223 29.182 689 2HB TRP 82 2HB TRP 82 -4.194 39.185 30.940 690 HD1 TRP 82 HD1 TRP 82 -3.761 36.927 27.870 691 HE1 TRP 82 HE1 TRP 82 -2.668 34.736 28.574 692 HE3 TRP 82 HE3 TRP 82 -3.977 37.467 32.983 693 HZ2 TRP 82 HZ2 TRP 82 -1.969 33.374 30.982 694 HZ3 TRP 82 HZ3 TRP 82 -3.079 35.685 34.440 695 HH2 TRP 82 HH2 TRP 82 -2.075 33.637 33.458 696 H PHE 83 H PHE 83 -8.511 38.912 30.898 697 HA PHE 83 HA PHE 83 -9.974 40.543 31.328 698 1HB PHE 83 1HB PHE 83 -8.203 41.058 33.095 699 2HB PHE 83 2HB PHE 83 -7.664 42.374 32.058 700 HD1 PHE 83 HD1 PHE 83 -10.647 40.985 33.870 701 HD2 PHE 83 HD2 PHE 83 -8.808 44.495 32.164 702 HE1 PHE 83 HE1 PHE 83 -12.410 42.405 34.881 703 HE2 PHE 83 HE2 PHE 83 -10.575 45.906 33.177 704 HZ PHE 83 HZ PHE 83 -12.379 44.867 34.535 705 H ASP 84 H ASP 84 -9.386 40.133 28.742 706 HA ASP 84 HA ASP 84 -9.082 42.752 27.369 707 1HB ASP 84 1HB ASP 84 -7.944 40.376 26.720 708 2HB ASP 84 2HB ASP 84 -9.531 39.940 26.183 709 H GLY 85 H GLY 85 -10.847 41.709 25.195 710 1HA GLY 85 1HA GLY 85 -13.511 41.300 25.938 711 2HA GLY 85 2HA GLY 85 -13.243 43.046 25.942 712 H GLN 86 H GLN 86 -13.680 43.974 23.868 713 HA GLN 86 HA GLN 86 -14.175 42.338 21.561 714 1HB GLN 86 1HB GLN 86 -14.401 44.411 20.366 715 2HB GLN 86 2HB GLN 86 -15.163 44.653 21.944 716 1HG GLN 86 1HG GLN 86 -13.252 45.939 22.743 717 2HG GLN 86 2HG GLN 86 -12.282 45.519 21.328 718 1HE2 GLN 86 1HE2 GLN 86 -13.333 46.095 19.096 719 2HE2 GLN 86 2HE2 GLN 86 -13.952 47.735 19.061 720 H ARG 87 H ARG 87 -11.226 43.449 22.890 721 HA ARG 87 HA ARG 87 -9.906 43.072 20.273 722 1HB ARG 87 1HB ARG 87 -9.244 44.433 22.884 723 2HB ARG 87 2HB ARG 87 -7.907 43.466 22.318 724 1HG ARG 87 1HG ARG 87 -9.367 45.564 20.631 725 2HG ARG 87 2HG ARG 87 -7.845 45.806 21.495 726 1HD ARG 87 1HD ARG 87 -6.724 45.094 19.707 727 2HD ARG 87 2HD ARG 87 -7.377 43.477 19.985 728 HE ARG 87 HE ARG 87 -9.303 44.988 18.502 729 1HH1 ARG 87 1HH1 ARG 87 -6.253 43.201 18.087 730 2HH1 ARG 87 2HH1 ARG 87 -6.265 43.359 16.355 731 1HH2 ARG 87 1HH2 ARG 87 -9.429 44.945 16.298 732 2HH2 ARG 87 2HH2 ARG 87 -8.105 44.377 15.290 733 H ALA 88 H ALA 88 -10.960 41.100 22.694 734 HA ALA 88 HA ALA 88 -8.846 39.089 22.235 735 1HB ALA 88 1HB ALA 88 -10.468 37.625 23.601 736 2HB ALA 88 2HB ALA 88 -9.617 38.925 24.426 737 3HB ALA 88 3HB ALA 88 -11.330 39.118 24.000 738 H ALA 89 H ALA 89 -12.101 39.983 21.506 739 HA ALA 89 HA ALA 89 -12.836 37.702 19.944 740 1HB ALA 89 1HB ALA 89 -14.591 39.139 18.998 741 2HB ALA 89 2HB ALA 89 -14.507 39.320 20.761 742 3HB ALA 89 3HB ALA 89 -13.833 40.577 19.706 743 H GLU 90 H GLU 90 -11.692 40.927 19.051 744 HA GLU 90 HA GLU 90 -11.017 40.149 16.315 745 1HB GLU 90 1HB GLU 90 -10.152 42.553 17.982 746 2HB GLU 90 2HB GLU 90 -10.058 42.457 16.218 747 1HG GLU 90 1HG GLU 90 -12.344 42.780 15.917 748 2HG GLU 90 2HG GLU 90 -12.769 42.292 17.560 749 H ASN 91 H ASN 91 -9.125 39.690 19.179 750 HA ASN 91 HA ASN 91 -6.638 39.800 17.538 751 1HB ASN 91 1HB ASN 91 -7.121 39.185 20.542 752 2HB ASN 91 2HB ASN 91 -5.646 38.708 19.776 753 1HD2 ASN 91 1HD2 ASN 91 -5.368 40.385 21.829 754 2HD2 ASN 91 2HD2 ASN 91 -4.836 41.949 21.254 755 H ARG 92 H ARG 92 -8.648 37.363 19.339 756 HA ARG 92 HA ARG 92 -7.179 35.192 18.121 757 1HB ARG 92 1HB ARG 92 -8.707 33.773 19.235 758 2HB ARG 92 2HB ARG 92 -8.794 35.212 20.265 759 1HG ARG 92 1HG ARG 92 -10.729 35.951 18.762 760 2HG ARG 92 2HG ARG 92 -10.715 34.307 18.079 761 1HD ARG 92 1HD ARG 92 -10.935 33.645 20.640 762 2HD ARG 92 2HD ARG 92 -11.597 35.277 20.791 763 HE ARG 92 HE ARG 92 -12.988 33.042 20.013 764 1HH1 ARG 92 1HH1 ARG 92 -12.552 36.219 18.368 765 2HH1 ARG 92 2HH1 ARG 92 -13.923 35.958 17.337 766 1HH2 ARG 92 1HH2 ARG 92 -14.812 32.840 18.723 767 2HH2 ARG 92 2HH2 ARG 92 -15.251 34.100 17.601 768 H GLN 93 H GLN 93 -9.856 37.146 17.061 769 HA GLN 93 HA GLN 93 -10.385 35.251 14.869 770 1HB GLN 93 1HB GLN 93 -12.104 36.575 16.040 771 2HB GLN 93 2HB GLN 93 -11.600 38.010 15.123 772 1HG GLN 93 1HG GLN 93 -12.301 36.922 13.066 773 2HG GLN 93 2HG GLN 93 -12.466 35.355 13.880 774 1HE2 GLN 93 1HE2 GLN 93 -14.342 37.732 12.632 775 2HE2 GLN 93 2HE2 GLN 93 -15.719 37.624 13.705 776 H GLY 94 H GLY 94 -8.046 37.673 15.405 777 1HA GLY 94 1HA GLY 94 -7.643 38.268 12.499 778 2HA GLY 94 2HA GLY 94 -6.806 39.006 13.868 779 H THR 95 H THR 95 -6.116 36.902 15.368 780 HA THR 95 HA THR 95 -3.743 35.825 14.207 781 HB THR 95 HB THR 95 -5.489 34.997 16.615 782 HG1 THR 95 HG1 THR 95 -4.667 37.019 16.870 783 1HG2 THR 95 1HG2 THR 95 -2.593 34.162 16.054 784 2HG2 THR 95 2HG2 THR 95 -3.454 33.893 17.578 785 3HG2 THR 95 3HG2 THR 95 -4.001 33.081 16.108 786 H LEU 96 H LEU 96 -6.931 34.367 14.815 787 HA LEU 96 HA LEU 96 -6.259 31.890 13.476 788 1HB LEU 96 1HB LEU 96 -8.176 32.173 14.977 789 2HB LEU 96 2HB LEU 96 -8.873 33.367 13.880 790 HG LEU 96 HG LEU 96 -10.143 31.547 13.522 791 1HD1 LEU 96 1HD1 LEU 96 -9.469 32.485 11.493 792 2HD1 LEU 96 2HD1 LEU 96 -8.261 31.120 11.324 793 3HD1 LEU 96 3HD1 LEU 96 -9.974 30.761 11.558 794 1HD2 LEU 96 1HD2 LEU 96 -9.694 29.313 13.223 795 2HD2 LEU 96 2HD2 LEU 96 -8.000 29.544 12.813 796 3HD2 LEU 96 3HD2 LEU 96 -8.559 29.767 14.481 797 H THR 97 H THR 97 -7.990 34.752 12.312 798 HA THR 97 HA THR 97 -8.228 34.046 9.596 799 HB THR 97 HB THR 97 -8.105 36.706 11.019 800 HG1 THR 97 HG1 THR 97 -9.933 35.544 9.184 801 1HG2 THR 97 1HG2 THR 97 -7.970 36.661 8.042 802 2HG2 THR 97 2HG2 THR 97 -8.432 38.028 9.086 803 3HG2 THR 97 3HG2 THR 97 -6.806 37.365 9.203 804 H GLU 98 H GLU 98 -5.345 35.202 11.180 805 HA GLU 98 HA GLU 98 -4.019 35.284 8.532 806 1HB GLU 98 1HB GLU 98 -3.531 37.035 10.362 807 2HB GLU 98 2HB GLU 98 -2.853 35.722 11.343 808 1HG GLU 98 1HG GLU 98 -1.213 35.267 9.503 809 2HG GLU 98 2HG GLU 98 -1.864 36.661 8.618 810 H TYR 99 H TYR 99 -4.017 33.288 11.469 811 HA TYR 99 HA TYR 99 -2.020 31.705 10.326 812 1HB TYR 99 1HB TYR 99 -3.127 31.355 12.792 813 2HB TYR 99 2HB TYR 99 -4.076 30.184 11.944 814 HD1 TYR 99 HD1 TYR 99 -0.428 30.538 10.772 815 HD2 TYR 99 HD2 TYR 99 -3.075 28.335 13.427 816 HE1 TYR 99 HE1 TYR 99 1.306 28.846 11.155 817 HE2 TYR 99 HE2 TYR 99 -1.239 26.671 13.760 818 HH TYR 99 HH TYR 99 1.845 27.014 11.981 819 H CYS 100 H CYS 100 -5.500 31.497 9.770 820 HA CYS 100 HA CYS 100 -5.260 28.995 8.385 821 1HB CYS 100 1HB CYS 100 -7.496 30.111 8.949 822 2HB CYS 100 2HB CYS 100 -7.158 31.331 7.699 823 HG CYS 100 HG CYS 100 -7.305 28.054 7.323 824 H SER 101 H SER 101 -4.917 32.321 7.196 825 HA SER 101 HA SER 101 -4.232 31.447 4.517 826 1HB SER 101 1HB SER 101 -3.612 34.035 6.059 827 2HB SER 101 2HB SER 101 -3.516 33.862 4.294 828 HG SER 101 HG SER 101 -5.528 34.758 5.176 829 H THR 102 H THR 102 -2.314 32.030 7.346 830 HA THR 102 HA THR 102 0.248 31.866 6.006 831 HB THR 102 HB THR 102 -0.516 32.306 8.914 832 HG1 THR 102 HG1 THR 102 0.353 34.071 6.867 833 1HG2 THR 102 1HG2 THR 102 1.670 33.433 9.081 834 2HG2 THR 102 2HG2 THR 102 1.692 31.661 9.089 835 3HG2 THR 102 3HG2 THR 102 2.178 32.584 7.621 836 H LEU 103 H LEU 103 -1.738 29.625 7.763 837 HA LEU 103 HA LEU 103 0.342 27.722 8.177 838 1HB LEU 103 1HB LEU 103 -2.523 27.859 8.517 839 2HB LEU 103 2HB LEU 103 -2.378 26.514 7.688 840 HG LEU 103 HG LEU 103 -1.026 26.827 10.351 841 1HD1 LEU 103 1HD1 LEU 103 -3.682 27.063 10.164 842 2HD1 LEU 103 2HD1 LEU 103 -3.552 25.314 10.305 843 3HD1 LEU 103 3HD1 LEU 103 -2.818 26.384 11.500 844 1HD2 LEU 103 1HD2 LEU 103 -2.146 24.203 9.316 845 2HD2 LEU 103 2HD2 LEU 103 -0.564 24.661 8.743 846 3HD2 LEU 103 3HD2 LEU 103 -0.861 24.448 10.475 847 H MET 104 H MET 104 -1.688 28.600 5.430 848 HA MET 104 HA MET 104 -0.479 26.480 3.738 849 1HB MET 104 1HB MET 104 -3.047 27.533 3.695 850 2HB MET 104 2HB MET 104 -2.231 28.715 2.681 851 1HG MET 104 1HG MET 104 -2.798 27.264 1.031 852 2HG MET 104 2HG MET 104 -1.310 26.451 1.495 853 1HE MET 104 1HE MET 104 -2.678 25.439 4.481 854 2HE MET 104 2HE MET 104 -3.124 23.792 4.028 855 3HE MET 104 3HE MET 104 -1.513 24.411 3.615 856 H SER 105 H SER 105 0.357 29.479 4.693 857 HA SER 105 HA SER 105 1.755 30.100 2.166 858 1HB SER 105 1HB SER 105 0.574 31.997 3.806 859 2HB SER 105 2HB SER 105 2.075 31.758 4.713 860 HG SER 105 HG SER 105 2.160 33.416 3.120 861 H LEU 106 H LEU 106 2.594 29.309 5.604 862 HA LEU 106 HA LEU 106 4.972 29.703 5.625 863 1HB LEU 106 1HB LEU 106 3.734 27.144 6.650 864 2HB LEU 106 2HB LEU 106 5.290 27.810 7.112 865 HG LEU 106 HG LEU 106 2.629 28.749 8.012 866 1HD1 LEU 106 1HD1 LEU 106 5.272 28.310 9.346 867 2HD1 LEU 106 2HD1 LEU 106 3.763 28.872 10.122 868 3HD1 LEU 106 3HD1 LEU 106 3.790 27.311 9.300 869 1HD2 LEU 106 1HD2 LEU 106 3.691 30.812 8.895 870 2HD2 LEU 106 2HD2 LEU 106 5.123 30.499 7.903 871 3HD2 LEU 106 3HD2 LEU 106 3.553 30.857 7.127 872 HA PRO 107 HA PRO 107 7.317 27.640 2.671 873 1HB PRO 107 1HB PRO 107 9.870 28.148 3.363 874 2HB PRO 107 2HB PRO 107 8.753 29.446 2.815 875 1HG PRO 107 1HG PRO 107 9.524 28.702 5.658 876 2HG PRO 107 2HG PRO 107 9.404 30.338 4.953 877 1HD PRO 107 1HD PRO 107 7.433 29.029 6.441 878 2HD PRO 107 2HD PRO 107 7.115 30.392 5.321 879 H THR 108 H THR 108 7.044 26.681 5.786 880 HA THR 108 HA THR 108 8.785 24.274 5.585 881 HB THR 108 HB THR 108 7.392 23.905 7.786 882 HG1 THR 108 HG1 THR 108 7.086 26.646 7.924 883 1HG2 THR 108 1HG2 THR 108 8.766 25.366 9.140 884 2HG2 THR 108 2HG2 THR 108 9.712 24.457 7.945 885 3HG2 THR 108 3HG2 THR 108 9.349 26.194 7.681 886 H LYS 109 H LYS 109 7.142 24.580 3.472 887 HA LYS 109 HA LYS 109 4.667 23.225 4.143 888 1HB LYS 109 1HB LYS 109 5.365 24.857 1.950 889 2HB LYS 109 2HB LYS 109 5.814 23.329 1.235 890 1HG LYS 109 1HG LYS 109 3.637 23.963 0.516 891 2HG LYS 109 2HG LYS 109 3.464 22.520 1.521 892 1HD LYS 109 1HD LYS 109 2.569 23.749 3.350 893 2HD LYS 109 2HD LYS 109 3.114 25.310 2.720 894 1HE LYS 109 1HE LYS 109 1.079 23.566 1.262 895 2HE LYS 109 2HE LYS 109 0.608 24.738 2.501 896 1HZ LYS 109 1HZ LYS 109 0.507 25.589 0.232 897 2HZ LYS 109 2HZ LYS 109 1.443 26.492 1.227 898 3HZ LYS 109 3HZ LYS 109 2.146 25.490 0.117 899 H ILE 110 H ILE 110 7.691 22.045 3.806 900 HA ILE 110 HA ILE 110 6.713 19.315 3.166 901 HB ILE 110 HB ILE 110 9.552 20.364 3.575 902 1HG1 ILE 110 1HG1 ILE 110 8.064 19.696 0.989 903 2HG1 ILE 110 2HG1 ILE 110 8.462 21.326 1.551 904 1HG2 ILE 110 1HG2 ILE 110 8.572 17.682 2.501 905 2HG2 ILE 110 2HG2 ILE 110 10.268 18.196 2.627 906 3HG2 ILE 110 3HG2 ILE 110 9.332 17.944 4.084 907 1HD1 ILE 110 1HD1 ILE 110 10.068 20.764 -0.090 908 2HD1 ILE 110 2HD1 ILE 110 10.897 20.724 1.478 909 3HD1 ILE 110 3HD1 ILE 110 10.441 19.209 0.659 910 H SER 111 H SER 111 7.964 21.308 5.791 911 HA SER 111 HA SER 111 8.161 19.040 7.592 912 1HB SER 111 1HB SER 111 8.374 21.971 8.313 913 2HB SER 111 2HB SER 111 9.010 20.576 9.195 914 HG SER 111 HG SER 111 10.353 20.184 7.337 915 H ARG 112 H ARG 112 6.029 21.785 7.063 916 HA ARG 112 HA ARG 112 4.321 21.134 9.323 917 1HB ARG 112 1HB ARG 112 4.779 23.419 8.552 918 2HB ARG 112 2HB ARG 112 3.860 23.117 7.064 919 1HG ARG 112 1HG ARG 112 1.815 22.941 8.165 920 2HG ARG 112 2HG ARG 112 2.548 22.696 9.761 921 1HD ARG 112 1HD ARG 112 3.242 25.258 8.344 922 2HD ARG 112 2HD ARG 112 1.583 25.087 8.865 923 HE ARG 112 HE ARG 112 2.125 25.073 11.081 924 1HH1 ARG 112 1HH1 ARG 112 5.226 25.215 9.196 925 2HH1 ARG 112 2HH1 ARG 112 6.069 25.773 10.618 926 1HH2 ARG 112 1HH2 ARG 112 3.424 25.894 12.809 927 2HH2 ARG 112 2HH2 ARG 112 5.118 26.239 12.489 928 H CYS 113 H CYS 113 4.498 20.084 6.058 929 HA CYS 113 HA CYS 113 1.887 19.634 5.303 930 1HB CYS 113 1HB CYS 113 3.477 19.062 3.721 931 2HB CYS 113 2HB CYS 113 4.363 17.966 4.785 932 HG CYS 113 HG CYS 113 3.235 16.656 2.875 933 HA PRO 114 HA PRO 114 1.222 15.564 7.661 934 1HB PRO 114 1HB PRO 114 3.043 14.695 9.560 935 2HB PRO 114 2HB PRO 114 3.141 14.234 7.836 936 1HG PRO 114 1HG PRO 114 4.601 16.509 9.215 937 2HG PRO 114 2HG PRO 114 5.302 15.240 8.167 938 1HD PRO 114 1HD PRO 114 4.710 17.650 7.155 939 2HD PRO 114 2HD PRO 114 4.280 16.183 6.224 940 H HIS 115 H HIS 115 2.652 18.250 9.395 941 HA HIS 115 HA HIS 115 1.058 17.678 11.685 942 1HB HIS 115 1HB HIS 115 3.103 19.230 11.557 943 2HB HIS 115 2HB HIS 115 1.955 20.487 11.099 944 HD1 HIS 115 HD1 HIS 115 1.224 17.743 13.704 945 HD2 HIS 115 HD2 HIS 115 2.089 21.844 13.577 946 HE1 HIS 115 HE1 HIS 115 0.881 18.676 16.046 947 H LEU 116 H LEU 116 0.517 19.962 8.875 948 HA LEU 116 HA LEU 116 -1.835 20.682 9.723 949 1HB LEU 116 1HB LEU 116 -0.600 21.566 7.630 950 2HB LEU 116 2HB LEU 116 -1.377 20.272 6.720 951 HG LEU 116 HG LEU 116 -2.414 22.816 7.768 952 1HD1 LEU 116 1HD1 LEU 116 -3.711 20.768 5.798 953 2HD1 LEU 116 2HD1 LEU 116 -4.112 22.480 5.856 954 3HD1 LEU 116 3HD1 LEU 116 -2.544 21.951 5.211 955 1HD2 LEU 116 1HD2 LEU 116 -4.410 20.683 7.971 956 2HD2 LEU 116 2HD2 LEU 116 -3.616 21.600 9.286 957 3HD2 LEU 116 3HD2 LEU 116 -4.592 22.440 8.127 958 H LEU 117 H LEU 117 -1.094 17.975 7.561 959 HA LEU 117 HA LEU 117 -3.720 16.834 7.241 960 1HB LEU 117 1HB LEU 117 -1.013 15.488 7.298 961 2HB LEU 117 2HB LEU 117 -2.546 14.668 7.070 962 HG LEU 117 HG LEU 117 -2.847 16.416 4.955 963 1HD1 LEU 117 1HD1 LEU 117 -0.720 16.733 3.858 964 2HD1 LEU 117 2HD1 LEU 117 -0.936 17.765 5.272 965 3HD1 LEU 117 3HD1 LEU 117 0.112 16.302 5.368 966 1HD2 LEU 117 1HD2 LEU 117 -0.985 14.110 4.826 967 2HD2 LEU 117 2HD2 LEU 117 -2.756 13.931 5.037 968 3HD2 LEU 117 3HD2 LEU 117 -2.146 14.797 3.637 969 H ASP 118 H ASP 118 -1.447 16.464 9.935 970 HA ASP 118 HA ASP 118 -3.376 14.837 11.419 971 1HB ASP 118 1HB ASP 118 -0.818 16.424 12.075 972 2HB ASP 118 2HB ASP 118 -1.706 15.671 13.364 973 H PHE 119 H PHE 119 -3.517 18.059 10.699 974 HA PHE 119 HA PHE 119 -4.622 19.126 13.228 975 1HB PHE 119 1HB PHE 119 -3.251 20.213 11.096 976 2HB PHE 119 2HB PHE 119 -4.895 20.497 10.524 977 HD1 PHE 119 HD1 PHE 119 -2.349 22.612 10.877 978 HD2 PHE 119 HD2 PHE 119 -5.713 21.433 13.333 979 HE1 PHE 119 HE1 PHE 119 -2.249 24.601 12.104 980 HE2 PHE 119 HE2 PHE 119 -5.600 23.588 14.555 981 HZ PHE 119 HZ PHE 119 -3.816 25.205 13.919 982 H PHE 120 H PHE 120 -5.377 18.130 10.012 983 HA PHE 120 HA PHE 120 -8.298 18.408 10.243 984 1HB PHE 120 1HB PHE 120 -6.225 17.503 8.111 985 2HB PHE 120 2HB PHE 120 -7.952 17.631 7.802 986 HD1 PHE 120 HD1 PHE 120 -6.085 18.891 6.078 987 HD2 PHE 120 HD2 PHE 120 -7.776 20.395 9.679 988 HE1 PHE 120 HE1 PHE 120 -5.970 21.206 5.159 989 HE2 PHE 120 HE2 PHE 120 -7.658 22.708 8.818 990 HZ PHE 120 HZ PHE 120 -6.769 23.097 6.559 991 H LYS 121 H LYS 121 -6.140 15.709 9.364 992 HA LYS 121 HA LYS 121 -8.239 13.860 9.211 993 1HB LYS 121 1HB LYS 121 -6.928 12.194 8.753 994 2HB LYS 121 2HB LYS 121 -6.032 13.584 8.145 995 1HG LYS 121 1HG LYS 121 -4.509 13.440 10.044 996 2HG LYS 121 2HG LYS 121 -5.499 12.162 10.787 997 1HD LYS 121 1HD LYS 121 -5.110 10.658 8.935 998 2HD LYS 121 2HD LYS 121 -4.261 11.893 8.006 999 1HE LYS 121 1HE LYS 121 -3.229 10.848 10.688 1000 2HE LYS 121 2HE LYS 121 -2.862 10.086 9.129 1001 1HZ LYS 121 1HZ LYS 121 -1.136 11.527 9.620 1002 2HZ LYS 121 2HZ LYS 121 -1.981 12.206 8.385 1003 3HZ LYS 121 3HZ LYS 121 -2.096 12.790 9.957 1004 H VAL 122 H VAL 122 -6.651 15.131 11.960 1005 HA VAL 122 HA VAL 122 -7.721 13.051 13.762 1006 HB VAL 122 HB VAL 122 -6.003 15.463 14.386 1007 1HG1 VAL 122 1HG1 VAL 122 -6.657 12.948 15.981 1008 2HG1 VAL 122 2HG1 VAL 122 -5.493 14.205 16.453 1009 3HG1 VAL 122 3HG1 VAL 122 -7.216 14.597 16.341 1010 1HG2 VAL 122 1HG2 VAL 122 -4.864 13.925 12.802 1011 2HG2 VAL 122 2HG2 VAL 122 -4.162 13.725 14.406 1012 3HG2 VAL 122 3HG2 VAL 122 -5.334 12.535 13.779 1013 H ARG 123 H ARG 123 -7.978 16.601 13.179 1014 HA ARG 123 HA ARG 123 -9.600 18.119 13.887 1015 1HB ARG 123 1HB ARG 123 -11.875 17.488 13.358 1016 2HB ARG 123 2HB ARG 123 -10.681 17.448 12.074 1017 1HG ARG 123 1HG ARG 123 -10.585 14.932 12.213 1018 2HG ARG 123 2HG ARG 123 -11.865 14.997 13.432 1019 1HD ARG 123 1HD ARG 123 -13.140 16.395 11.613 1020 2HD ARG 123 2HD ARG 123 -11.908 15.756 10.490 1021 HE ARG 123 HE ARG 123 -12.904 13.557 11.856 1022 1HH1 ARG 123 1HH1 ARG 123 -14.400 16.143 9.878 1023 2HH1 ARG 123 2HH1 ARG 123 -15.816 15.197 9.558 1024 1HH2 ARG 123 1HH2 ARG 123 -14.793 12.396 11.425 1025 2HH2 ARG 123 2HH2 ARG 123 -16.020 13.032 10.365 1026 HA PRO 124 HA PRO 124 -10.175 16.487 17.983 1027 1HB PRO 124 1HB PRO 124 -8.520 18.177 19.469 1028 2HB PRO 124 2HB PRO 124 -7.846 16.833 18.507 1029 1HG PRO 124 1HG PRO 124 -8.218 19.702 17.602 1030 2HG PRO 124 2HG PRO 124 -6.696 18.760 17.592 1031 1HD PRO 124 1HD PRO 124 -8.274 18.970 15.405 1032 2HD PRO 124 2HD PRO 124 -7.482 17.412 15.791 1033 H ASP 125 H ASP 125 -11.737 18.320 16.412 1034 HA ASP 125 HA ASP 125 -13.275 19.270 18.662 1035 1HB ASP 125 1HB ASP 125 -11.681 21.165 17.892 1036 2HB ASP 125 2HB ASP 125 -12.615 21.211 16.411 1037 H ASP 126 H ASP 126 -13.128 17.374 16.130 1038 HA ASP 126 HA ASP 126 -15.913 17.773 15.210 1039 1HB ASP 126 1HB ASP 126 -14.340 17.457 13.361 1040 2HB ASP 126 2HB ASP 126 -13.513 16.184 14.255 1041 H LEU 127 H LEU 127 -13.555 15.246 16.367 1042 HA LEU 127 HA LEU 127 -15.703 14.006 17.965 1043 1HB LEU 127 1HB LEU 127 -14.022 12.825 15.675 1044 2HB LEU 127 2HB LEU 127 -14.535 11.701 16.865 1045 HG LEU 127 HG LEU 127 -16.746 13.272 15.315 1046 1HD1 LEU 127 1HD1 LEU 127 -17.117 11.155 14.264 1047 2HD1 LEU 127 2HD1 LEU 127 -15.461 11.693 13.911 1048 3HD1 LEU 127 3HD1 LEU 127 -15.746 10.414 15.119 1049 1HD2 LEU 127 1HD2 LEU 127 -18.168 11.589 16.362 1050 2HD2 LEU 127 2HD2 LEU 127 -16.809 10.955 17.303 1051 3HD2 LEU 127 3HD2 LEU 127 -17.423 12.595 17.605 1052 H LYS 128 H LYS 128 -13.292 15.622 18.473 1053 HA LYS 128 HA LYS 128 -12.369 14.014 20.665 1054 1HB LYS 128 1HB LYS 128 -10.723 14.408 18.186 1055 2HB LYS 128 2HB LYS 128 -9.915 15.151 19.558 1056 1HG LYS 128 1HG LYS 128 -10.118 13.027 20.849 1057 2HG LYS 128 2HG LYS 128 -10.941 12.287 19.477 1058 1HD LYS 128 1HD LYS 128 -8.565 11.650 19.564 1059 2HD LYS 128 2HD LYS 128 -9.000 12.467 18.061 1060 1HE LYS 128 1HE LYS 128 -6.780 13.155 19.012 1061 2HE LYS 128 2HE LYS 128 -7.889 14.493 18.712 1062 1HZ LYS 128 1HZ LYS 128 -7.411 13.244 21.334 1063 2HZ LYS 128 2HZ LYS 128 -6.798 14.688 20.828 1064 3HZ LYS 128 3HZ LYS 128 -8.418 14.515 21.040 1065 H LEU 129 H LEU 129 -14.063 16.022 20.327 1066 HA LEU 129 HA LEU 129 -13.419 18.658 20.820 1067 1HB LEU 129 1HB LEU 129 -15.664 16.819 21.807 1068 2HB LEU 129 2HB LEU 129 -15.833 18.528 21.937 1069 HG LEU 129 HG LEU 129 -15.495 17.416 19.048 1070 1HD1 LEU 129 1HD1 LEU 129 -17.896 17.017 19.063 1071 2HD1 LEU 129 2HD1 LEU 129 -17.081 15.924 20.200 1072 3HD1 LEU 129 3HD1 LEU 129 -17.972 17.338 20.812 1073 1HD2 LEU 129 1HD2 LEU 129 -17.064 19.206 18.604 1074 2HD2 LEU 129 2HD2 LEU 129 -17.160 19.637 20.317 1075 3HD2 LEU 129 3HD2 LEU 129 -15.639 19.861 19.431 1076 HA PRO 130 HA PRO 130 -12.200 18.937 25.056 1077 1HB PRO 130 1HB PRO 130 -14.455 20.668 25.946 1078 2HB PRO 130 2HB PRO 130 -12.707 21.011 25.972 1079 1HG PRO 130 1HG PRO 130 -14.330 22.226 24.148 1080 2HG PRO 130 2HG PRO 130 -12.712 21.616 23.687 1081 1HD PRO 130 1HD PRO 130 -15.380 20.221 23.405 1082 2HD PRO 130 2HD PRO 130 -14.189 20.527 22.110 Start of MODEL 9 1 1H GLY 1 1H GLY 1 0.078 -1.956 -3.075 2 2H GLY 1 2H GLY 1 1.312 -0.874 -3.306 3 3H GLY 1 3H GLY 1 0.870 -1.289 -1.782 4 1HA GLY 1 1HA GLY 1 -0.777 0.197 -3.696 5 2HA GLY 1 2HA GLY 1 -1.267 -0.262 -2.049 6 H SER 2 H SER 2 -1.437 2.355 -2.417 7 HA SER 2 HA SER 2 0.500 3.497 -0.639 8 1HB SER 2 1HB SER 2 1.797 3.532 -2.814 9 2HB SER 2 2HB SER 2 0.503 4.520 -3.522 10 HG SER 2 HG SER 2 2.310 5.710 -2.663 11 H MET 3 H MET 3 0.035 6.126 -1.159 12 HA MET 3 HA MET 3 -1.356 7.827 -0.813 13 1HB MET 3 1HB MET 3 -2.278 6.824 -3.066 14 2HB MET 3 2HB MET 3 -3.642 6.299 -2.081 15 1HG MET 3 1HG MET 3 -4.527 8.297 -2.588 16 2HG MET 3 2HG MET 3 -3.449 8.964 -1.368 17 1HE MET 3 1HE MET 3 -0.575 8.723 -2.908 18 2HE MET 3 2HE MET 3 -0.519 10.383 -3.543 19 3HE MET 3 3HE MET 3 -1.143 10.083 -1.903 20 H GLY 4 H GLY 4 -1.377 5.405 1.109 21 1HA GLY 4 1HA GLY 4 -3.966 5.708 2.511 22 2HA GLY 4 2HA GLY 4 -2.581 4.703 3.006 23 H ASP 5 H ASP 5 -3.169 8.099 2.313 24 HA ASP 5 HA ASP 5 -3.106 9.061 4.897 25 1HB ASP 5 1HB ASP 5 -0.499 8.409 4.721 26 2HB ASP 5 2HB ASP 5 -0.387 9.550 3.405 27 H THR 6 H THR 6 -2.143 9.593 1.610 28 HA THR 6 HA THR 6 -2.185 11.196 0.063 29 HB THR 6 HB THR 6 -4.529 10.132 0.262 30 HG1 THR 6 HG1 THR 6 -5.045 11.223 -1.525 31 1HG2 THR 6 1HG2 THR 6 -6.195 11.560 0.832 32 2HG2 THR 6 2HG2 THR 6 -4.981 11.845 2.109 33 3HG2 THR 6 3HG2 THR 6 -5.164 13.024 0.795 34 H PHE 7 H PHE 7 -3.463 13.642 -0.230 35 HA PHE 7 HA PHE 7 -2.269 15.305 1.919 36 1HB PHE 7 1HB PHE 7 -1.444 15.506 -0.971 37 2HB PHE 7 2HB PHE 7 -0.743 16.342 0.377 38 HD1 PHE 7 HD1 PHE 7 -0.742 13.002 -1.459 39 HD2 PHE 7 HD2 PHE 7 0.454 14.817 2.330 40 HE1 PHE 7 HE1 PHE 7 0.732 11.155 -0.984 41 HE2 PHE 7 HE2 PHE 7 1.899 12.935 2.738 42 HZ PHE 7 HZ PHE 7 2.074 11.085 1.098 43 H ILE 8 H ILE 8 -2.256 17.703 1.140 44 HA ILE 8 HA ILE 8 -5.092 18.164 0.550 45 HB ILE 8 HB ILE 8 -3.305 19.283 2.717 46 1HG1 ILE 8 1HG1 ILE 8 -5.901 17.682 2.488 47 2HG1 ILE 8 2HG1 ILE 8 -4.348 17.147 3.162 48 1HG2 ILE 8 1HG2 ILE 8 -5.024 20.786 3.455 49 2HG2 ILE 8 2HG2 ILE 8 -4.490 21.243 1.864 50 3HG2 ILE 8 3HG2 ILE 8 -6.050 20.382 2.061 51 1HD1 ILE 8 1HD1 ILE 8 -5.837 17.565 4.942 52 2HD1 ILE 8 2HD1 ILE 8 -4.657 18.904 4.936 53 3HD1 ILE 8 3HD1 ILE 8 -6.308 19.137 4.265 54 H ARG 9 H ARG 9 -5.858 20.243 0.025 55 HA ARG 9 HA ARG 9 -4.163 21.447 -2.091 56 1HB ARG 9 1HB ARG 9 -6.636 20.311 -2.438 57 2HB ARG 9 2HB ARG 9 -7.231 21.806 -1.779 58 1HG ARG 9 1HG ARG 9 -5.450 21.495 -4.238 59 2HG ARG 9 2HG ARG 9 -7.192 21.813 -4.211 60 1HD ARG 9 1HD ARG 9 -6.720 23.969 -2.984 61 2HD ARG 9 2HD ARG 9 -4.981 23.669 -3.256 62 HE ARG 9 HE ARG 9 -6.362 23.488 -5.731 63 1HH1 ARG 9 1HH1 ARG 9 -5.330 25.875 -3.331 64 2HH1 ARG 9 2HH1 ARG 9 -5.227 27.191 -4.467 65 1HH2 ARG 9 1HH2 ARG 9 -6.228 25.222 -7.245 66 2HH2 ARG 9 2HH2 ARG 9 -5.744 26.809 -6.722 67 H HIS 10 H HIS 10 -6.707 22.351 0.285 68 HA HIS 10 HA HIS 10 -5.115 24.298 1.581 69 1HB HIS 10 1HB HIS 10 -5.400 26.208 0.373 70 2HB HIS 10 2HB HIS 10 -5.831 25.236 -0.997 71 HD1 HIS 10 HD1 HIS 10 -6.888 28.239 0.043 72 HD2 HIS 10 HD2 HIS 10 -9.040 24.678 -0.384 73 HE1 HIS 10 HE1 HIS 10 -9.358 28.833 -0.233 74 H ILE 11 H ILE 11 -6.558 26.183 2.539 75 HA ILE 11 HA ILE 11 -8.829 24.897 3.842 76 HB ILE 11 HB ILE 11 -7.334 27.135 5.120 77 1HG1 ILE 11 1HG1 ILE 11 -6.445 24.241 5.233 78 2HG1 ILE 11 2HG1 ILE 11 -5.572 25.610 4.571 79 1HG2 ILE 11 1HG2 ILE 11 -8.811 24.730 6.290 80 2HG2 ILE 11 2HG2 ILE 11 -8.244 26.176 7.159 81 3HG2 ILE 11 3HG2 ILE 11 -9.542 26.314 6.017 82 1HD1 ILE 11 1HD1 ILE 11 -5.339 26.686 6.727 83 2HD1 ILE 11 2HD1 ILE 11 -6.283 25.427 7.537 84 3HD1 ILE 11 3HD1 ILE 11 -4.736 25.019 6.838 85 H ALA 12 H ALA 12 -10.723 26.186 4.242 86 HA ALA 12 HA ALA 12 -10.881 28.933 3.196 87 1HB ALA 12 1HB ALA 12 -12.792 26.597 2.626 88 2HB ALA 12 2HB ALA 12 -13.123 28.301 2.259 89 3HB ALA 12 3HB ALA 12 -11.814 27.448 1.416 90 H LEU 13 H LEU 13 -12.815 29.963 4.468 91 HA LEU 13 HA LEU 13 -13.440 28.323 6.768 92 1HB LEU 13 1HB LEU 13 -11.478 29.890 7.062 93 2HB LEU 13 2HB LEU 13 -12.551 31.257 6.982 94 HG LEU 13 HG LEU 13 -12.324 29.015 9.135 95 1HD1 LEU 13 1HD1 LEU 13 -11.379 31.859 9.271 96 2HD1 LEU 13 2HD1 LEU 13 -11.226 30.539 10.443 97 3HD1 LEU 13 3HD1 LEU 13 -10.356 30.440 8.914 98 1HD2 LEU 13 1HD2 LEU 13 -13.462 30.407 10.742 99 2HD2 LEU 13 2HD2 LEU 13 -13.885 31.593 9.500 100 3HD2 LEU 13 3HD2 LEU 13 -14.543 29.933 9.456 101 H LEU 14 H LEU 14 -15.353 28.564 7.815 102 HA LEU 14 HA LEU 14 -17.340 29.934 6.057 103 1HB LEU 14 1HB LEU 14 -17.219 27.289 7.336 104 2HB LEU 14 2HB LEU 14 -18.348 28.136 8.258 105 HG LEU 14 HG LEU 14 -19.461 28.858 5.991 106 1HD1 LEU 14 1HD1 LEU 14 -18.913 27.524 3.958 107 2HD1 LEU 14 2HD1 LEU 14 -17.488 28.428 4.455 108 3HD1 LEU 14 3HD1 LEU 14 -17.611 26.719 4.810 109 1HD2 LEU 14 1HD2 LEU 14 -19.342 25.876 6.561 110 2HD2 LEU 14 2HD2 LEU 14 -20.390 27.058 7.370 111 3HD2 LEU 14 3HD2 LEU 14 -20.598 26.724 5.641 112 H GLY 15 H GLY 15 -16.480 29.537 9.458 113 1HA GLY 15 1HA GLY 15 -16.399 32.161 10.131 114 2HA GLY 15 2HA GLY 15 -18.145 31.998 9.997 115 H PHE 16 H PHE 16 -19.271 31.433 11.692 116 HA PHE 16 HA PHE 16 -17.861 31.118 14.213 117 1HB PHE 16 1HB PHE 16 -20.820 31.331 13.708 118 2HB PHE 16 2HB PHE 16 -20.002 31.626 15.204 119 HD1 PHE 16 HD1 PHE 16 -18.059 33.684 15.149 120 HD2 PHE 16 HD2 PHE 16 -21.212 33.346 12.132 121 HE1 PHE 16 HE1 PHE 16 -17.753 35.968 14.511 122 HE2 PHE 16 HE2 PHE 16 -20.844 35.638 11.554 123 HZ PHE 16 HZ PHE 16 -19.125 36.996 12.715 124 H GLU 17 H GLU 17 -19.209 29.763 15.881 125 HA GLU 17 HA GLU 17 -20.508 27.361 15.170 126 1HB GLU 17 1HB GLU 17 -17.766 27.109 14.890 127 2HB GLU 17 2HB GLU 17 -17.997 26.680 16.587 128 1HG GLU 17 1HG GLU 17 -19.541 25.382 14.302 129 2HG GLU 17 2HG GLU 17 -17.964 24.811 14.844 130 H LYS 18 H LYS 18 -21.019 26.238 17.356 131 HA LYS 18 HA LYS 18 -20.688 27.911 19.675 132 1HB LYS 18 1HB LYS 18 -23.456 27.019 18.787 133 2HB LYS 18 2HB LYS 18 -23.002 28.032 20.157 134 1HG LYS 18 1HG LYS 18 -23.770 29.622 18.729 135 2HG LYS 18 2HG LYS 18 -22.070 29.645 18.269 136 1HD LYS 18 1HD LYS 18 -22.745 27.948 16.406 137 2HD LYS 18 2HD LYS 18 -24.415 28.269 16.880 138 1HE LYS 18 1HE LYS 18 -24.084 30.690 16.393 139 2HE LYS 18 2HE LYS 18 -22.397 30.367 15.946 140 1HZ LYS 18 1HZ LYS 18 -23.195 28.971 14.176 141 2HZ LYS 18 2HZ LYS 18 -24.762 29.279 14.581 142 3HZ LYS 18 3HZ LYS 18 -23.800 30.497 14.033 143 H ARG 19 H ARG 19 -19.686 26.293 21.029 144 HA ARG 19 HA ARG 19 -21.140 23.753 21.419 145 1HB ARG 19 1HB ARG 19 -18.544 23.978 20.481 146 2HB ARG 19 2HB ARG 19 -18.286 23.962 22.214 147 1HG ARG 19 1HG ARG 19 -18.215 21.726 21.839 148 2HG ARG 19 2HG ARG 19 -19.911 21.914 22.246 149 1HD ARG 19 1HD ARG 19 -19.580 20.452 20.242 150 2HD ARG 19 2HD ARG 19 -20.580 21.871 19.914 151 HE ARG 19 HE ARG 19 -19.109 22.512 18.310 152 1HH1 ARG 19 1HH1 ARG 19 -17.203 20.556 20.605 153 2HH1 ARG 19 2HH1 ARG 19 -15.696 20.861 19.779 154 1HH2 ARG 19 1HH2 ARG 19 -17.281 22.803 17.245 155 2HH2 ARG 19 2HH2 ARG 19 -15.746 22.091 17.751 156 H PHE 20 H PHE 20 -22.404 24.268 23.145 157 HA PHE 20 HA PHE 20 -21.399 26.085 25.086 158 1HB PHE 20 1HB PHE 20 -23.912 24.274 25.206 159 2HB PHE 20 2HB PHE 20 -23.964 25.865 25.797 160 HD1 PHE 20 HD1 PHE 20 -24.453 23.668 22.659 161 HD2 PHE 20 HD2 PHE 20 -24.118 27.898 23.810 162 HE1 PHE 20 HE1 PHE 20 -25.374 24.354 20.607 163 HE2 PHE 20 HE2 PHE 20 -25.067 28.476 21.706 164 HZ PHE 20 HZ PHE 20 -25.716 26.746 20.066 165 H VAL 21 H VAL 21 -21.289 22.724 24.551 166 HA VAL 21 HA VAL 21 -20.946 22.142 27.331 167 HB VAL 21 HB VAL 21 -22.292 19.859 26.265 168 1HG1 VAL 21 1HG1 VAL 21 -23.065 21.330 28.209 169 2HG1 VAL 21 2HG1 VAL 21 -23.724 22.452 26.997 170 3HG1 VAL 21 3HG1 VAL 21 -24.367 20.802 27.113 171 1HG2 VAL 21 1HG2 VAL 21 -23.789 20.202 24.752 172 2HG2 VAL 21 2HG2 VAL 21 -23.418 21.935 24.573 173 3HG2 VAL 21 3HG2 VAL 21 -22.209 20.692 24.097 174 HA PRO 22 HA PRO 22 -20.630 19.628 28.070 175 1HB PRO 22 1HB PRO 22 -18.626 18.323 29.330 176 2HB PRO 22 2HB PRO 22 -19.503 17.628 27.937 177 1HG PRO 22 1HG PRO 22 -16.856 19.085 27.905 178 2HG PRO 22 2HG PRO 22 -17.267 17.521 27.138 179 1HD PRO 22 1HD PRO 22 -17.311 19.956 25.842 180 2HD PRO 22 2HD PRO 22 -18.396 18.610 25.364 181 H SER 23 H SER 23 -18.323 21.879 27.362 182 HA SER 23 HA SER 23 -18.579 23.266 29.893 183 1HB SER 23 1HB SER 23 -15.925 22.596 28.385 184 2HB SER 23 2HB SER 23 -15.982 23.929 29.523 185 HG SER 23 HG SER 23 -16.884 21.337 30.220 186 H GLN 24 H GLN 24 -17.993 25.700 29.515 187 HA GLN 24 HA GLN 24 -19.473 26.444 27.219 188 1HB GLN 24 1HB GLN 24 -18.100 28.398 29.010 189 2HB GLN 24 2HB GLN 24 -19.590 28.488 28.110 190 1HG GLN 24 1HG GLN 24 -19.318 26.700 30.708 191 2HG GLN 24 2HG GLN 24 -20.349 28.083 30.579 192 1HE2 GLN 24 1HE2 GLN 24 -21.785 27.856 28.297 193 2HE2 GLN 24 2HE2 GLN 24 -22.578 26.286 28.247 194 H HIS 25 H HIS 25 -18.372 26.742 25.083 195 HA HIS 25 HA HIS 25 -16.239 28.592 25.059 196 1HB HIS 25 1HB HIS 25 -14.907 26.509 23.812 197 2HB HIS 25 2HB HIS 25 -14.585 26.935 25.517 198 HD1 HIS 25 HD1 HIS 25 -17.175 24.908 23.556 199 HD2 HIS 25 HD2 HIS 25 -14.443 24.378 26.680 200 HE1 HIS 25 HE1 HIS 25 -17.381 22.512 24.304 201 H TYR 26 H TYR 26 -16.775 29.690 23.015 202 HA TYR 26 HA TYR 26 -18.028 28.032 20.962 203 1HB TYR 26 1HB TYR 26 -17.404 30.989 21.217 204 2HB TYR 26 2HB TYR 26 -17.745 30.337 19.663 205 HD1 TYR 26 HD1 TYR 26 -19.738 28.841 22.588 206 HD2 TYR 26 HD2 TYR 26 -19.888 31.827 19.382 207 HE1 TYR 26 HE1 TYR 26 -22.070 29.102 22.890 208 HE2 TYR 26 HE2 TYR 26 -22.238 32.031 19.754 209 HH TYR 26 HH TYR 26 -23.979 30.273 22.319 210 H VAL 27 H VAL 27 -17.316 27.980 18.735 211 HA VAL 27 HA VAL 27 -14.404 28.318 18.356 212 HB VAL 27 HB VAL 27 -13.968 26.140 17.850 213 1HG1 VAL 27 1HG1 VAL 27 -14.691 24.642 19.577 214 2HG1 VAL 27 2HG1 VAL 27 -14.448 26.255 20.261 215 3HG1 VAL 27 3HG1 VAL 27 -16.090 25.653 19.952 216 1HG2 VAL 27 1HG2 VAL 27 -15.866 25.702 16.239 217 2HG2 VAL 27 2HG2 VAL 27 -15.339 24.358 17.235 218 3HG2 VAL 27 3HG2 VAL 27 -16.822 25.219 17.672 219 H TYR 28 H TYR 28 -13.959 27.646 15.814 220 HA TYR 28 HA TYR 28 -16.004 29.124 14.393 221 1HB TYR 28 1HB TYR 28 -13.842 29.349 12.793 222 2HB TYR 28 2HB TYR 28 -14.389 30.525 14.001 223 HD1 TYR 28 HD1 TYR 28 -11.716 28.028 13.213 224 HD2 TYR 28 HD2 TYR 28 -13.280 30.893 16.033 225 HE1 TYR 28 HE1 TYR 28 -9.697 27.937 14.457 226 HE2 TYR 28 HE2 TYR 28 -11.159 30.804 17.311 227 HH TYR 28 HH TYR 28 -9.102 29.996 17.419 228 H MET 29 H MET 29 -16.926 28.296 12.588 229 HA MET 29 HA MET 29 -16.488 25.506 12.010 230 1HB MET 29 1HB MET 29 -18.592 26.520 11.984 231 2HB MET 29 2HB MET 29 -18.212 27.567 10.588 232 1HG MET 29 1HG MET 29 -19.007 24.679 10.848 233 2HG MET 29 2HG MET 29 -19.615 25.938 9.786 234 1HE MET 29 1HE MET 29 -16.787 23.569 10.604 235 2HE MET 29 2HE MET 29 -18.055 22.648 9.763 236 3HE MET 29 3HE MET 29 -16.456 22.844 9.011 237 H PHE 30 H PHE 30 -14.610 24.866 10.794 238 HA PHE 30 HA PHE 30 -13.327 26.718 9.073 239 1HB PHE 30 1HB PHE 30 -12.635 25.077 11.348 240 2HB PHE 30 2HB PHE 30 -12.177 24.161 9.987 241 HD1 PHE 30 HD1 PHE 30 -11.626 28.097 10.861 242 HD2 PHE 30 HD2 PHE 30 -9.885 24.306 9.612 243 HE1 PHE 30 HE1 PHE 30 -9.422 29.066 10.598 244 HE2 PHE 30 HE2 PHE 30 -7.711 25.372 9.422 245 HZ PHE 30 HZ PHE 30 -7.484 27.791 9.917 246 H LEU 31 H LEU 31 -12.967 25.968 6.785 247 HA LEU 31 HA LEU 31 -14.028 23.370 6.170 248 1HB LEU 31 1HB LEU 31 -14.198 26.044 4.894 249 2HB LEU 31 2HB LEU 31 -13.804 24.761 3.758 250 HG LEU 31 HG LEU 31 -16.195 25.226 3.880 251 1HD1 LEU 31 1HD1 LEU 31 -15.324 23.015 3.221 252 2HD1 LEU 31 2HD1 LEU 31 -15.502 22.458 4.902 253 3HD1 LEU 31 3HD1 LEU 31 -16.940 22.946 3.985 254 1HD2 LEU 31 1HD2 LEU 31 -17.550 24.643 5.781 255 2HD2 LEU 31 2HD2 LEU 31 -16.184 23.934 6.645 256 3HD2 LEU 31 3HD2 LEU 31 -16.233 25.684 6.385 257 H VAL 32 H VAL 32 -12.815 21.700 5.232 258 HA VAL 32 HA VAL 32 -10.138 22.548 4.377 259 HB VAL 32 HB VAL 32 -9.658 21.375 6.122 260 1HG1 VAL 32 1HG1 VAL 32 -11.814 20.496 6.801 261 2HG1 VAL 32 2HG1 VAL 32 -11.743 19.285 5.500 262 3HG1 VAL 32 3HG1 VAL 32 -10.585 19.223 6.845 263 1HG2 VAL 32 1HG2 VAL 32 -9.644 19.344 3.861 264 2HG2 VAL 32 2HG2 VAL 32 -8.402 20.556 4.211 265 3HG2 VAL 32 3HG2 VAL 32 -8.694 19.210 5.336 266 H LYS 33 H LYS 33 -9.490 22.038 2.281 267 HA LYS 33 HA LYS 33 -11.520 20.698 0.602 268 1HB LYS 33 1HB LYS 33 -10.892 23.170 0.235 269 2HB LYS 33 2HB LYS 33 -9.329 22.550 -0.303 270 1HG LYS 33 1HG LYS 33 -10.414 22.699 -2.314 271 2HG LYS 33 2HG LYS 33 -10.805 21.022 -1.901 272 1HD LYS 33 1HD LYS 33 -12.994 21.869 -0.927 273 2HD LYS 33 2HD LYS 33 -12.545 23.498 -1.459 274 1HE LYS 33 1HE LYS 33 -12.343 22.571 -3.827 275 2HE LYS 33 2HE LYS 33 -13.062 21.064 -3.228 276 1HZ LYS 33 1HZ LYS 33 -14.681 22.530 -4.201 277 2HZ LYS 33 2HZ LYS 33 -15.028 22.342 -2.617 278 3HZ LYS 33 3HZ LYS 33 -14.322 23.729 -3.137 279 H TRP 34 H TRP 34 -10.771 18.407 0.337 280 HA TRP 34 HA TRP 34 -7.873 18.154 0.369 281 1HB TRP 34 1HB TRP 34 -10.035 16.058 0.379 282 2HB TRP 34 2HB TRP 34 -8.322 15.747 0.357 283 HD1 TRP 34 HD1 TRP 34 -10.842 17.388 2.743 284 HE1 TRP 34 HE1 TRP 34 -10.083 16.851 5.170 285 HE3 TRP 34 HE3 TRP 34 -6.483 14.939 1.700 286 HZ2 TRP 34 HZ2 TRP 34 -7.862 15.508 6.459 287 HZ3 TRP 34 HZ3 TRP 34 -5.094 14.049 3.521 288 HH2 TRP 34 HH2 TRP 34 -5.768 14.299 5.880 289 H GLN 35 H GLN 35 -6.788 16.994 -1.420 290 HA GLN 35 HA GLN 35 -8.151 17.383 -4.022 291 1HB GLN 35 1HB GLN 35 -5.632 17.001 -4.915 292 2HB GLN 35 2HB GLN 35 -5.745 18.364 -3.829 293 1HG GLN 35 1HG GLN 35 -3.837 17.181 -3.312 294 2HG GLN 35 2HG GLN 35 -4.935 16.969 -1.965 295 1HE2 GLN 35 1HE2 GLN 35 -5.042 14.870 -1.213 296 2HE2 GLN 35 2HE2 GLN 35 -4.623 13.442 -2.142 297 H ASP 36 H ASP 36 -8.327 15.088 -1.930 298 HA ASP 36 HA ASP 36 -8.660 12.979 -3.922 299 1HB ASP 36 1HB ASP 36 -6.445 12.610 -2.644 300 2HB ASP 36 2HB ASP 36 -7.264 12.773 -1.107 301 H LEU 37 H LEU 37 -9.126 13.401 -0.399 302 HA LEU 37 HA LEU 37 -11.674 12.144 -0.399 303 1HB LEU 37 1HB LEU 37 -10.423 14.129 1.526 304 2HB LEU 37 2HB LEU 37 -11.910 13.254 1.827 305 HG LEU 37 HG LEU 37 -10.166 12.290 3.066 306 1HD1 LEU 37 1HD1 LEU 37 -10.259 9.956 2.479 307 2HD1 LEU 37 2HD1 LEU 37 -11.841 10.699 2.185 308 3HD1 LEU 37 3HD1 LEU 37 -10.752 10.336 0.821 309 1HD2 LEU 37 1HD2 LEU 37 -8.149 11.347 2.277 310 2HD2 LEU 37 2HD2 LEU 37 -8.619 11.531 0.582 311 3HD2 LEU 37 3HD2 LEU 37 -8.252 12.969 1.569 312 H SER 38 H SER 38 -10.893 15.215 -1.653 313 HA SER 38 HA SER 38 -12.233 16.974 -2.427 314 1HB SER 38 1HB SER 38 -13.756 14.879 -3.143 315 2HB SER 38 2HB SER 38 -14.739 15.267 -1.745 316 HG SER 38 HG SER 38 -15.430 16.330 -3.633 317 H GLU 39 H GLU 39 -14.838 17.625 -1.398 318 HA GLU 39 HA GLU 39 -13.952 19.393 0.532 319 1HB GLU 39 1HB GLU 39 -16.854 18.538 -0.224 320 2HB GLU 39 2HB GLU 39 -16.502 19.959 0.743 321 1HG GLU 39 1HG GLU 39 -14.965 20.743 -1.137 322 2HG GLU 39 2HG GLU 39 -15.624 19.441 -2.142 323 H LYS 40 H LYS 40 -13.937 19.399 2.832 324 HA LYS 40 HA LYS 40 -15.492 17.387 4.269 325 1HB LYS 40 1HB LYS 40 -12.454 17.558 4.353 326 2HB LYS 40 2HB LYS 40 -13.404 16.812 5.638 327 1HG LYS 40 1HG LYS 40 -13.316 15.861 2.739 328 2HG LYS 40 2HG LYS 40 -12.411 15.189 4.095 329 1HD LYS 40 1HD LYS 40 -14.598 14.680 5.265 330 2HD LYS 40 2HD LYS 40 -15.454 15.244 3.826 331 1HE LYS 40 1HE LYS 40 -15.384 12.875 3.705 332 2HE LYS 40 2HE LYS 40 -14.312 13.515 2.451 333 1HZ LYS 40 1HZ LYS 40 -12.462 13.037 3.910 334 2HZ LYS 40 2HZ LYS 40 -13.474 12.479 5.084 335 3HZ LYS 40 3HZ LYS 40 -13.347 11.676 3.651 336 H VAL 41 H VAL 41 -15.848 18.135 6.534 337 HA VAL 41 HA VAL 41 -15.132 20.952 6.822 338 HB VAL 41 HB VAL 41 -17.206 21.430 7.479 339 1HG1 VAL 41 1HG1 VAL 41 -17.810 19.150 5.566 340 2HG1 VAL 41 2HG1 VAL 41 -18.727 20.644 5.809 341 3HG1 VAL 41 3HG1 VAL 41 -17.118 20.707 5.081 342 1HG2 VAL 41 1HG2 VAL 41 -18.929 19.807 8.217 343 2HG2 VAL 41 2HG2 VAL 41 -17.696 18.520 8.145 344 3HG2 VAL 41 3HG2 VAL 41 -17.525 19.876 9.287 345 H VAL 42 H VAL 42 -14.560 21.757 8.993 346 HA VAL 42 HA VAL 42 -14.477 19.711 11.064 347 HB VAL 42 HB VAL 42 -12.153 20.039 11.638 348 1HG1 VAL 42 1HG1 VAL 42 -12.630 18.222 10.092 349 2HG1 VAL 42 2HG1 VAL 42 -12.295 19.305 8.716 350 3HG1 VAL 42 3HG1 VAL 42 -11.003 18.895 9.861 351 1HG2 VAL 42 1HG2 VAL 42 -10.531 21.187 10.190 352 2HG2 VAL 42 2HG2 VAL 42 -11.883 21.884 9.270 353 3HG2 VAL 42 3HG2 VAL 42 -11.663 22.260 11.008 354 H TYR 43 H TYR 43 -14.150 20.611 13.226 355 HA TYR 43 HA TYR 43 -15.180 23.317 13.417 356 1HB TYR 43 1HB TYR 43 -14.965 21.308 15.534 357 2HB TYR 43 2HB TYR 43 -16.024 22.681 15.417 358 HD1 TYR 43 HD1 TYR 43 -15.486 19.300 13.302 359 HD2 TYR 43 HD2 TYR 43 -18.469 22.266 14.550 360 HE1 TYR 43 HE1 TYR 43 -17.140 18.142 12.210 361 HE2 TYR 43 HE2 TYR 43 -20.094 21.007 13.406 362 HH TYR 43 HH TYR 43 -19.369 17.962 11.673 363 H ARG 44 H ARG 44 -13.712 24.791 14.380 364 HA ARG 44 HA ARG 44 -11.080 23.630 15.332 365 1HB ARG 44 1HB ARG 44 -11.263 24.439 12.979 366 2HB ARG 44 2HB ARG 44 -11.582 26.022 13.629 367 1HG ARG 44 1HG ARG 44 -9.373 26.141 13.161 368 2HG ARG 44 2HG ARG 44 -9.287 25.657 14.882 369 1HD ARG 44 1HD ARG 44 -8.546 23.496 14.327 370 2HD ARG 44 2HD ARG 44 -9.286 23.571 12.710 371 HE ARG 44 HE ARG 44 -7.198 25.547 13.083 372 1HH1 ARG 44 1HH1 ARG 44 -7.790 22.172 12.245 373 2HH1 ARG 44 2HH1 ARG 44 -6.488 22.090 11.088 374 1HH2 ARG 44 1HH2 ARG 44 -5.523 25.467 11.506 375 2HH2 ARG 44 2HH2 ARG 44 -5.179 23.975 10.681 376 H ARG 45 H ARG 45 -10.548 24.336 17.449 377 HA ARG 45 HA ARG 45 -11.855 26.771 18.450 378 1HB ARG 45 1HB ARG 45 -12.289 24.557 19.570 379 2HB ARG 45 2HB ARG 45 -10.567 24.500 19.969 380 1HG ARG 45 1HG ARG 45 -10.742 26.284 21.517 381 2HG ARG 45 2HG ARG 45 -12.348 26.738 20.936 382 1HD ARG 45 1HD ARG 45 -12.407 25.518 23.103 383 2HD ARG 45 2HD ARG 45 -13.324 24.698 21.823 384 HE ARG 45 HE ARG 45 -10.722 23.619 21.810 385 1HH1 ARG 45 1HH1 ARG 45 -13.582 23.622 23.874 386 2HH1 ARG 45 2HH1 ARG 45 -13.234 22.084 24.606 387 1HH2 ARG 45 1HH2 ARG 45 -10.227 21.563 22.761 388 2HH2 ARG 45 2HH2 ARG 45 -11.304 20.909 23.952 389 H PHE 46 H PHE 46 -10.633 28.072 20.001 390 HA PHE 46 HA PHE 46 -8.160 28.966 19.004 391 1HB PHE 46 1HB PHE 46 -8.249 30.425 21.041 392 2HB PHE 46 2HB PHE 46 -9.676 30.486 20.025 393 HD1 PHE 46 HD1 PHE 46 -11.847 29.476 20.800 394 HD2 PHE 46 HD2 PHE 46 -8.361 29.650 23.349 395 HE1 PHE 46 HE1 PHE 46 -13.262 29.040 22.778 396 HE2 PHE 46 HE2 PHE 46 -9.793 29.214 25.317 397 HZ PHE 46 HZ PHE 46 -12.242 28.907 25.039 398 H THR 47 H THR 47 -8.802 27.377 22.139 399 HA THR 47 HA THR 47 -6.010 27.160 22.788 400 HB THR 47 HB THR 47 -7.860 27.034 24.459 401 HG1 THR 47 HG1 THR 47 -5.940 24.965 24.331 402 1HG2 THR 47 1HG2 THR 47 -9.386 25.467 23.257 403 2HG2 THR 47 2HG2 THR 47 -8.199 24.160 23.473 404 3HG2 THR 47 3HG2 THR 47 -8.971 24.902 24.883 405 H GLU 48 H GLU 48 -7.938 25.271 20.647 406 HA GLU 48 HA GLU 48 -6.232 22.949 20.676 407 1HB GLU 48 1HB GLU 48 -8.436 23.969 18.768 408 2HB GLU 48 2HB GLU 48 -7.546 22.524 18.593 409 1HG GLU 48 1HG GLU 48 -9.012 23.223 21.174 410 2HG GLU 48 2HG GLU 48 -9.856 22.405 19.851 411 H ILE 49 H ILE 49 -6.745 25.782 18.553 412 HA ILE 49 HA ILE 49 -4.633 25.101 16.743 413 HB ILE 49 HB ILE 49 -5.938 27.737 17.380 414 1HG1 ILE 49 1HG1 ILE 49 -5.832 26.205 14.757 415 2HG1 ILE 49 2HG1 ILE 49 -6.913 25.588 16.028 416 1HG2 ILE 49 1HG2 ILE 49 -4.753 28.547 15.291 417 2HG2 ILE 49 2HG2 ILE 49 -3.727 28.399 16.720 418 3HG2 ILE 49 3HG2 ILE 49 -3.674 27.144 15.465 419 1HD1 ILE 49 1HD1 ILE 49 -8.290 27.294 15.949 420 2HD1 ILE 49 2HD1 ILE 49 -7.071 28.493 15.473 421 3HD1 ILE 49 3HD1 ILE 49 -7.707 27.341 14.265 422 H TYR 50 H TYR 50 -4.678 26.933 19.809 423 HA TYR 50 HA TYR 50 -1.887 27.674 19.673 424 1HB TYR 50 1HB TYR 50 -3.516 27.150 22.200 425 2HB TYR 50 2HB TYR 50 -2.122 28.160 22.051 426 HD1 TYR 50 HD1 TYR 50 -4.947 29.148 23.181 427 HD2 TYR 50 HD2 TYR 50 -3.336 29.423 19.128 428 HE1 TYR 50 HE1 TYR 50 -6.374 31.020 22.690 429 HE2 TYR 50 HE2 TYR 50 -4.782 31.280 18.711 430 HH TYR 50 HH TYR 50 -7.043 32.559 21.149 431 H GLU 51 H GLU 51 -3.595 24.908 21.156 432 HA GLU 51 HA GLU 51 -1.215 23.741 22.176 433 1HB GLU 51 1HB GLU 51 -3.885 22.546 21.486 434 2HB GLU 51 2HB GLU 51 -2.529 21.517 21.960 435 1HG GLU 51 1HG GLU 51 -3.537 23.847 23.648 436 2HG GLU 51 2HG GLU 51 -3.972 22.149 23.891 437 H PHE 52 H PHE 52 -2.703 23.433 18.984 438 HA PHE 52 HA PHE 52 -0.913 21.481 17.874 439 1HB PHE 52 1HB PHE 52 -2.811 22.084 16.603 440 2HB PHE 52 2HB PHE 52 -2.478 23.771 16.640 441 HD1 PHE 52 HD1 PHE 52 -0.218 24.703 14.895 442 HD2 PHE 52 HD2 PHE 52 -1.953 20.686 14.860 443 HE1 PHE 52 HE1 PHE 52 0.728 24.204 12.767 444 HE2 PHE 52 HE2 PHE 52 -0.973 20.310 12.735 445 HZ PHE 52 HZ PHE 52 0.390 22.094 11.633 446 H HIS 53 H HIS 53 -0.917 24.994 17.409 447 HA HIS 53 HA HIS 53 1.518 25.049 16.224 448 1HB HIS 53 1HB HIS 53 -0.374 26.801 16.434 449 2HB HIS 53 2HB HIS 53 0.410 27.352 17.924 450 HD1 HIS 53 HD1 HIS 53 2.422 26.174 14.995 451 HD2 HIS 53 HD2 HIS 53 1.028 29.852 16.444 452 HE1 HIS 53 HE1 HIS 53 3.501 27.853 13.657 453 H LYS 54 H LYS 54 0.776 25.216 19.511 454 HA LYS 54 HA LYS 54 3.421 25.807 20.536 455 1HB LYS 54 1HB LYS 54 1.751 25.946 22.179 456 2HB LYS 54 2HB LYS 54 1.009 24.440 21.626 457 1HG LYS 54 1HG LYS 54 3.002 23.186 22.645 458 2HG LYS 54 2HG LYS 54 3.364 24.712 23.481 459 1HD LYS 54 1HD LYS 54 0.994 24.679 24.352 460 2HD LYS 54 2HD LYS 54 0.707 23.201 23.415 461 1HE LYS 54 1HE LYS 54 2.510 22.052 24.749 462 2HE LYS 54 2HE LYS 54 2.530 23.470 25.815 463 1HZ LYS 54 1HZ LYS 54 0.214 21.734 25.212 464 2HZ LYS 54 2HZ LYS 54 1.015 21.821 26.661 465 3HZ LYS 54 3HZ LYS 54 0.100 23.085 26.075 466 H THR 55 H THR 55 1.786 22.771 19.749 467 HA THR 55 HA THR 55 4.058 21.117 20.520 468 HB THR 55 HB THR 55 1.740 20.469 18.646 469 HG1 THR 55 HG1 THR 55 1.069 21.064 20.757 470 1HG2 THR 55 1HG2 THR 55 3.679 18.671 20.090 471 2HG2 THR 55 2HG2 THR 55 2.141 18.135 19.354 472 3HG2 THR 55 3HG2 THR 55 3.397 18.837 18.340 473 H LEU 56 H LEU 56 3.118 22.535 17.451 474 HA LEU 56 HA LEU 56 5.195 21.267 16.023 475 1HB LEU 56 1HB LEU 56 3.237 22.797 15.094 476 2HB LEU 56 2HB LEU 56 4.227 24.142 15.562 477 HG LEU 56 HG LEU 56 4.242 23.823 13.282 478 1HD1 LEU 56 1HD1 LEU 56 7.039 23.261 14.229 479 2HD1 LEU 56 2HD1 LEU 56 6.488 24.281 12.913 480 3HD1 LEU 56 3HD1 LEU 56 6.197 24.774 14.596 481 1HD2 LEU 56 1HD2 LEU 56 5.000 21.008 13.775 482 2HD2 LEU 56 2HD2 LEU 56 4.407 21.762 12.292 483 3HD2 LEU 56 3HD2 LEU 56 6.123 21.812 12.662 484 H LYS 57 H LYS 57 5.158 24.364 17.750 485 HA LYS 57 HA LYS 57 7.908 24.850 17.159 486 1HB LYS 57 1HB LYS 57 5.954 25.916 19.250 487 2HB LYS 57 2HB LYS 57 7.567 26.613 18.996 488 1HG LYS 57 1HG LYS 57 6.977 27.056 16.582 489 2HG LYS 57 2HG LYS 57 5.394 26.382 16.818 490 1HD LYS 57 1HD LYS 57 4.656 28.164 18.152 491 2HD LYS 57 2HD LYS 57 6.305 28.758 18.461 492 1HE LYS 57 1HE LYS 57 6.601 29.528 16.229 493 2HE LYS 57 2HE LYS 57 5.230 28.605 15.622 494 1HZ LYS 57 1HZ LYS 57 4.978 30.900 17.448 495 2HZ LYS 57 2HZ LYS 57 4.767 30.956 15.818 496 3HZ LYS 57 3HZ LYS 57 3.750 30.064 16.724 497 H GLU 58 H GLU 58 6.472 22.916 19.620 498 HA GLU 58 HA GLU 58 8.908 22.867 21.206 499 1HB GLU 58 1HB GLU 58 6.258 21.199 21.239 500 2HB GLU 58 2HB GLU 58 7.498 20.865 22.372 501 1HG GLU 58 1HG GLU 58 7.266 23.229 23.405 502 2HG GLU 58 2HG GLU 58 6.076 23.666 22.248 503 H MET 59 H MET 59 7.162 20.467 19.105 504 HA MET 59 HA MET 59 9.262 18.592 19.282 505 1HB MET 59 1HB MET 59 7.419 19.119 16.980 506 2HB MET 59 2HB MET 59 8.288 17.636 17.247 507 1HG MET 59 1HG MET 59 6.869 17.068 19.170 508 2HG MET 59 2HG MET 59 5.961 18.556 18.984 509 1HE MET 59 1HE MET 59 4.616 19.171 16.635 510 2HE MET 59 2HE MET 59 5.884 18.546 15.594 511 3HE MET 59 3HE MET 59 4.242 17.932 15.425 512 H PHE 60 H PHE 60 8.548 21.130 16.805 513 HA PHE 60 HA PHE 60 11.147 20.701 15.566 514 1HB PHE 60 1HB PHE 60 8.901 22.487 14.794 515 2HB PHE 60 2HB PHE 60 10.377 22.226 14.001 516 HD1 PHE 60 HD1 PHE 60 6.926 20.517 14.614 517 HD2 PHE 60 HD2 PHE 60 10.851 19.841 12.803 518 HE1 PHE 60 HE1 PHE 60 6.125 18.626 13.411 519 HE2 PHE 60 HE2 PHE 60 9.965 17.959 11.664 520 HZ PHE 60 HZ PHE 60 7.585 17.309 11.932 521 HA PRO 61 HA PRO 61 11.574 24.633 18.266 522 1HB PRO 61 1HB PRO 61 14.139 24.569 19.066 523 2HB PRO 61 2HB PRO 61 12.885 23.537 19.826 524 1HG PRO 61 1HG PRO 61 14.892 22.762 17.709 525 2HG PRO 61 2HG PRO 61 14.460 21.870 19.195 526 1HD PRO 61 1HD PRO 61 13.451 21.415 16.702 527 2HD PRO 61 2HD PRO 61 12.522 21.024 18.225 528 H ILE 62 H ILE 62 13.188 23.357 15.521 529 HA ILE 62 HA ILE 62 14.681 25.629 14.720 530 HB ILE 62 HB ILE 62 13.465 23.428 13.085 531 1HG1 ILE 62 1HG1 ILE 62 14.819 22.277 14.745 532 2HG1 ILE 62 2HG1 ILE 62 15.661 22.215 13.201 533 1HG2 ILE 62 1HG2 ILE 62 15.790 25.057 12.334 534 2HG2 ILE 62 2HG2 ILE 62 15.042 23.724 11.408 535 3HG2 ILE 62 3HG2 ILE 62 14.122 25.196 11.699 536 1HD1 ILE 62 1HD1 ILE 62 17.222 22.700 15.013 537 2HD1 ILE 62 2HD1 ILE 62 17.128 24.105 13.938 538 3HD1 ILE 62 3HD1 ILE 62 16.286 24.118 15.507 539 H GLU 63 H GLU 63 11.420 24.334 13.972 540 HA GLU 63 HA GLU 63 10.868 26.416 12.097 541 1HB GLU 63 1HB GLU 63 9.485 24.381 12.324 542 2HB GLU 63 2HB GLU 63 8.767 25.045 13.797 543 1HG GLU 63 1HG GLU 63 8.789 26.628 11.179 544 2HG GLU 63 2HG GLU 63 7.602 25.363 11.413 545 H ALA 64 H ALA 64 11.303 26.415 15.485 546 HA ALA 64 HA ALA 64 10.131 29.081 15.764 547 1HB ALA 64 1HB ALA 64 9.021 27.049 16.942 548 2HB ALA 64 2HB ALA 64 10.457 26.971 17.952 549 3HB ALA 64 3HB ALA 64 9.412 28.426 18.005 550 H GLY 65 H GLY 65 12.657 28.592 14.795 551 1HA GLY 65 1HA GLY 65 14.046 30.351 16.570 552 2HA GLY 65 2HA GLY 65 14.714 28.670 16.568 553 H ALA 66 H ALA 66 14.571 27.842 14.024 554 HA ALA 66 HA ALA 66 16.444 29.721 12.791 555 1HB ALA 66 1HB ALA 66 15.623 27.068 11.640 556 2HB ALA 66 2HB ALA 66 17.107 27.967 11.319 557 3HB ALA 66 3HB ALA 66 16.896 27.177 12.897 558 H ILE 67 H ILE 67 13.209 28.881 12.706 559 HA ILE 67 HA ILE 67 12.836 30.387 10.115 560 HB ILE 67 HB ILE 67 10.997 28.341 11.344 561 1HG1 ILE 67 1HG1 ILE 67 13.233 28.045 9.250 562 2HG1 ILE 67 2HG1 ILE 67 13.103 27.178 10.785 563 1HG2 ILE 67 1HG2 ILE 67 11.120 29.568 8.563 564 2HG2 ILE 67 2HG2 ILE 67 10.056 28.206 9.011 565 3HG2 ILE 67 3HG2 ILE 67 9.814 29.751 9.756 566 1HD1 ILE 67 1HD1 ILE 67 12.637 25.622 9.107 567 2HD1 ILE 67 2HD1 ILE 67 11.093 25.992 9.891 568 3HD1 ILE 67 3HD1 ILE 67 11.487 26.683 8.290 569 H ASN 68 H ASN 68 12.920 30.998 13.201 570 HA ASN 68 HA ASN 68 10.316 32.418 13.247 571 1HB ASN 68 1HB ASN 68 11.933 31.354 15.321 572 2HB ASN 68 2HB ASN 68 11.815 33.094 15.578 573 1HD2 ASN 68 1HD2 ASN 68 9.520 30.637 14.211 574 2HD2 ASN 68 2HD2 ASN 68 8.203 31.052 15.277 575 HA PRO 69 HA PRO 69 12.587 36.355 13.171 576 1HB PRO 69 1HB PRO 69 15.307 36.624 12.785 577 2HB PRO 69 2HB PRO 69 14.617 36.235 14.389 578 1HG PRO 69 1HG PRO 69 15.829 34.332 12.380 579 2HG PRO 69 2HG PRO 69 16.069 34.375 14.144 580 1HD PRO 69 1HD PRO 69 14.271 32.697 12.835 581 2HD PRO 69 2HD PRO 69 14.041 33.239 14.530 582 H GLU 70 H GLU 70 14.345 34.369 10.917 583 HA GLU 70 HA GLU 70 14.201 36.370 8.882 584 1HB GLU 70 1HB GLU 70 14.824 34.274 7.303 585 2HB GLU 70 2HB GLU 70 15.910 34.387 8.646 586 1HG GLU 70 1HG GLU 70 14.658 32.549 9.878 587 2HG GLU 70 2HG GLU 70 13.444 32.487 8.629 588 H ASN 71 H ASN 71 12.081 33.791 9.785 589 HA ASN 71 HA ASN 71 10.099 34.821 7.786 590 1HB ASN 71 1HB ASN 71 11.075 32.200 7.808 591 2HB ASN 71 2HB ASN 71 9.918 32.066 9.077 592 1HD2 ASN 71 1HD2 ASN 71 7.970 31.466 8.561 593 2HD2 ASN 71 2HD2 ASN 71 7.221 31.655 6.975 594 H ARG 72 H ARG 72 10.509 36.201 10.004 595 HA ARG 72 HA ARG 72 8.601 35.608 12.103 596 1HB ARG 72 1HB ARG 72 8.982 37.943 12.805 597 2HB ARG 72 2HB ARG 72 10.494 37.114 12.464 598 1HG ARG 72 1HG ARG 72 10.487 38.216 10.159 599 2HG ARG 72 2HG ARG 72 9.126 39.193 10.703 600 1HD ARG 72 1HD ARG 72 10.433 40.072 12.573 601 2HD ARG 72 2HD ARG 72 11.832 39.102 12.110 602 HE ARG 72 HE ARG 72 10.928 41.599 10.968 603 1HH1 ARG 72 1HH1 ARG 72 12.666 38.603 10.141 604 2HH1 ARG 72 2HH1 ARG 72 13.509 39.318 8.795 605 1HH2 ARG 72 1HH2 ARG 72 12.044 42.521 9.195 606 2HH2 ARG 72 2HH2 ARG 72 13.159 41.565 8.261 607 H ILE 73 H ILE 73 7.114 34.982 10.138 608 HA ILE 73 HA ILE 73 4.971 37.011 9.814 609 HB ILE 73 HB ILE 73 5.845 34.729 7.968 610 1HG1 ILE 73 1HG1 ILE 73 5.861 36.771 6.310 611 2HG1 ILE 73 2HG1 ILE 73 6.031 37.761 7.760 612 1HG2 ILE 73 1HG2 ILE 73 4.023 35.534 6.465 613 2HG2 ILE 73 2HG2 ILE 73 3.416 34.833 7.953 614 3HG2 ILE 73 3HG2 ILE 73 3.458 36.602 7.767 615 1HD1 ILE 73 1HD1 ILE 73 7.885 35.450 6.988 616 2HD1 ILE 73 2HD1 ILE 73 8.161 37.138 6.526 617 3HD1 ILE 73 3HD1 ILE 73 8.191 36.692 8.227 618 H ILE 74 H ILE 74 6.050 33.861 10.972 619 HA ILE 74 HA ILE 74 3.698 32.384 11.122 620 HB ILE 74 HB ILE 74 5.929 32.566 13.137 621 1HG1 ILE 74 1HG1 ILE 74 5.900 30.409 11.045 622 2HG1 ILE 74 2HG1 ILE 74 6.562 31.981 10.591 623 1HG2 ILE 74 1HG2 ILE 74 3.941 30.338 12.402 624 2HG2 ILE 74 2HG2 ILE 74 5.232 30.160 13.597 625 3HG2 ILE 74 3HG2 ILE 74 3.912 31.294 13.890 626 1HD1 ILE 74 1HD1 ILE 74 8.114 31.944 12.454 627 2HD1 ILE 74 2HD1 ILE 74 7.424 30.419 13.055 628 3HD1 ILE 74 3HD1 ILE 74 8.275 30.446 11.505 629 HA PRO 75 HA PRO 75 1.622 35.078 13.972 630 1HB PRO 75 1HB PRO 75 -0.601 33.665 14.731 631 2HB PRO 75 2HB PRO 75 -0.372 34.316 13.083 632 1HG PRO 75 1HG PRO 75 0.311 31.521 14.055 633 2HG PRO 75 2HG PRO 75 -0.707 31.999 12.666 634 1HD PRO 75 1HD PRO 75 1.918 31.386 12.336 635 2HD PRO 75 2HD PRO 75 1.181 32.747 11.431 636 H HIS 76 H HIS 76 0.797 35.045 16.312 637 HA HIS 76 HA HIS 76 1.501 32.964 18.170 638 1HB HIS 76 1HB HIS 76 3.192 34.432 19.422 639 2HB HIS 76 2HB HIS 76 3.721 33.668 17.945 640 HD1 HIS 76 HD1 HIS 76 2.739 37.149 19.180 641 HD2 HIS 76 HD2 HIS 76 4.547 35.255 15.907 642 HE1 HIS 76 HE1 HIS 76 3.729 38.968 17.717 643 H LEU 77 H LEU 77 1.756 35.510 20.052 644 HA LEU 77 HA LEU 77 0.462 36.861 21.234 645 1HB LEU 77 1HB LEU 77 -1.824 36.505 19.256 646 2HB LEU 77 2HB LEU 77 -1.667 37.743 20.481 647 HG LEU 77 HG LEU 77 0.210 37.460 18.093 648 1HD1 LEU 77 1HD1 LEU 77 -2.080 38.099 17.446 649 2HD1 LEU 77 2HD1 LEU 77 -2.053 39.424 18.628 650 3HD1 LEU 77 3HD1 LEU 77 -0.947 39.444 17.237 651 1HD2 LEU 77 1HD2 LEU 77 1.330 38.555 20.018 652 2HD2 LEU 77 2HD2 LEU 77 0.955 39.737 18.760 653 3HD2 LEU 77 3HD2 LEU 77 -0.058 39.644 20.215 654 HA PRO 78 HA PRO 78 -1.531 33.837 23.739 655 1HB PRO 78 1HB PRO 78 -2.530 35.286 25.787 656 2HB PRO 78 2HB PRO 78 -0.777 35.240 25.459 657 1HG PRO 78 1HG PRO 78 -2.757 37.349 24.533 658 2HG PRO 78 2HG PRO 78 -1.233 37.614 25.434 659 1HD PRO 78 1HD PRO 78 -1.335 37.803 22.723 660 2HD PRO 78 2HD PRO 78 0.081 37.074 23.535 661 H ALA 79 H ALA 79 -3.712 33.520 24.988 662 HA ALA 79 HA ALA 79 -5.777 33.369 23.057 663 1HB ALA 79 1HB ALA 79 -5.809 32.923 26.072 664 2HB ALA 79 2HB ALA 79 -7.058 32.350 24.952 665 3HB ALA 79 3HB ALA 79 -5.411 31.716 24.835 666 HA PRO 80 HA PRO 80 -7.854 37.233 23.525 667 1HB PRO 80 1HB PRO 80 -10.425 36.666 22.804 668 2HB PRO 80 2HB PRO 80 -9.041 36.436 21.710 669 1HG PRO 80 1HG PRO 80 -10.263 34.325 23.523 670 2HG PRO 80 2HG PRO 80 -10.103 34.247 21.742 671 1HD PRO 80 1HD PRO 80 -8.202 33.159 23.248 672 2HD PRO 80 2HD PRO 80 -7.727 34.206 21.872 673 H LYS 81 H LYS 81 -7.288 36.854 26.001 674 HA LYS 81 HA LYS 81 -9.645 37.780 27.436 675 1HB LYS 81 1HB LYS 81 -9.511 36.105 29.234 676 2HB LYS 81 2HB LYS 81 -9.831 35.344 27.677 677 1HG LYS 81 1HG LYS 81 -8.333 33.917 28.724 678 2HG LYS 81 2HG LYS 81 -7.343 34.767 27.534 679 1HD LYS 81 1HD LYS 81 -6.379 36.171 29.319 680 2HD LYS 81 2HD LYS 81 -7.542 35.526 30.492 681 1HE LYS 81 1HE LYS 81 -6.509 33.283 30.255 682 2HE LYS 81 2HE LYS 81 -5.383 33.923 29.042 683 1HZ LYS 81 1HZ LYS 81 -4.397 33.815 31.216 684 2HZ LYS 81 2HZ LYS 81 -4.503 35.385 30.727 685 3HZ LYS 81 3HZ LYS 81 -5.556 34.795 31.847 686 H TRP 82 H TRP 82 -6.782 38.527 26.625 687 HA TRP 82 HA TRP 82 -5.704 39.377 29.253 688 1HB TRP 82 1HB TRP 82 -4.660 39.438 26.401 689 2HB TRP 82 2HB TRP 82 -3.898 40.309 27.728 690 HD1 TRP 82 HD1 TRP 82 -5.070 36.628 27.305 691 HE1 TRP 82 HE1 TRP 82 -3.209 35.070 28.185 692 HE3 TRP 82 HE3 TRP 82 -1.634 40.150 28.741 693 HZ2 TRP 82 HZ2 TRP 82 -0.615 35.313 29.338 694 HZ3 TRP 82 HZ3 TRP 82 0.522 39.447 29.724 695 HH2 TRP 82 HH2 TRP 82 1.046 37.039 30.025 696 H PHE 83 H PHE 83 -7.356 40.539 26.352 697 HA PHE 83 HA PHE 83 -7.812 43.144 27.676 698 1HB PHE 83 1HB PHE 83 -5.920 42.969 25.814 699 2HB PHE 83 2HB PHE 83 -7.273 43.089 24.712 700 HD1 PHE 83 HD1 PHE 83 -8.999 45.125 26.311 701 HD2 PHE 83 HD2 PHE 83 -4.746 44.951 25.542 702 HE1 PHE 83 HE1 PHE 83 -8.840 47.560 26.599 703 HE2 PHE 83 HE2 PHE 83 -4.608 47.401 25.837 704 HZ PHE 83 HZ PHE 83 -6.652 48.714 26.366 705 H ASP 84 H ASP 84 -9.456 41.031 27.836 706 HA ASP 84 HA ASP 84 -11.428 40.266 26.243 707 1HB ASP 84 1HB ASP 84 -11.251 39.837 28.783 708 2HB ASP 84 2HB ASP 84 -11.897 41.438 29.079 709 H GLY 85 H GLY 85 -11.903 41.785 24.557 710 1HA GLY 85 1HA GLY 85 -14.217 43.236 24.621 711 2HA GLY 85 2HA GLY 85 -12.909 44.401 24.953 712 H GLN 86 H GLN 86 -13.050 45.394 22.787 713 HA GLN 86 HA GLN 86 -13.120 43.910 20.388 714 1HB GLN 86 1HB GLN 86 -13.832 46.220 20.532 715 2HB GLN 86 2HB GLN 86 -12.229 46.772 21.008 716 1HG GLN 86 1HG GLN 86 -12.767 45.394 18.339 717 2HG GLN 86 2HG GLN 86 -13.020 47.129 18.564 718 1HE2 GLN 86 1HE2 GLN 86 -11.180 46.041 16.671 719 2HE2 GLN 86 2HE2 GLN 86 -9.578 46.549 17.154 720 H ARG 87 H ARG 87 -10.464 44.518 22.466 721 HA ARG 87 HA ARG 87 -8.556 43.800 20.326 722 1HB ARG 87 1HB ARG 87 -8.337 44.649 23.319 723 2HB ARG 87 2HB ARG 87 -6.910 44.088 22.455 724 1HG ARG 87 1HG ARG 87 -7.227 45.858 20.743 725 2HG ARG 87 2HG ARG 87 -8.666 46.438 21.604 726 1HD ARG 87 1HD ARG 87 -7.367 46.960 23.579 727 2HD ARG 87 2HD ARG 87 -5.886 46.321 22.865 728 HE ARG 87 HE ARG 87 -7.160 48.900 22.413 729 1HH1 ARG 87 1HH1 ARG 87 -5.013 46.505 20.934 730 2HH1 ARG 87 2HH1 ARG 87 -4.235 47.646 19.872 731 1HH2 ARG 87 1HH2 ARG 87 -6.168 50.404 20.991 732 2HH2 ARG 87 2HH2 ARG 87 -4.916 49.889 19.898 733 H ALA 88 H ALA 88 -10.559 42.164 22.371 734 HA ALA 88 HA ALA 88 -8.821 39.782 22.541 735 1HB ALA 88 1HB ALA 88 -10.615 38.720 23.722 736 2HB ALA 88 2HB ALA 88 -10.199 40.271 24.457 737 3HB ALA 88 3HB ALA 88 -11.679 40.104 23.460 738 H ALA 89 H ALA 89 -11.542 41.223 20.968 739 HA ALA 89 HA ALA 89 -12.419 39.025 19.358 740 1HB ALA 89 1HB ALA 89 -13.665 40.706 18.079 741 2HB ALA 89 2HB ALA 89 -13.866 40.950 19.828 742 3HB ALA 89 3HB ALA 89 -12.789 42.011 18.896 743 H GLU 90 H GLU 90 -10.691 41.964 18.344 744 HA GLU 90 HA GLU 90 -9.846 40.711 15.871 745 1HB GLU 90 1HB GLU 90 -8.835 43.300 17.118 746 2HB GLU 90 2HB GLU 90 -8.660 42.782 15.429 747 1HG GLU 90 1HG GLU 90 -11.233 43.542 16.869 748 2HG GLU 90 2HG GLU 90 -10.479 44.327 15.476 749 H ASN 91 H ASN 91 -8.731 39.839 18.774 750 HA ASN 91 HA ASN 91 -5.912 39.478 17.845 751 1HB ASN 91 1HB ASN 91 -6.142 40.035 20.296 752 2HB ASN 91 2HB ASN 91 -7.410 38.839 20.516 753 1HD2 ASN 91 1HD2 ASN 91 -6.758 36.931 21.390 754 2HD2 ASN 91 2HD2 ASN 91 -5.109 36.330 21.348 755 H ARG 92 H ARG 92 -8.796 37.518 18.930 756 HA ARG 92 HA ARG 92 -7.606 35.142 17.754 757 1HB ARG 92 1HB ARG 92 -9.603 33.997 18.376 758 2HB ARG 92 2HB ARG 92 -9.245 35.133 19.684 759 1HG ARG 92 1HG ARG 92 -10.895 36.735 18.575 760 2HG ARG 92 2HG ARG 92 -11.341 35.412 17.488 761 1HD ARG 92 1HD ARG 92 -11.670 35.582 20.501 762 2HD ARG 92 2HD ARG 92 -12.954 35.639 19.302 763 HE ARG 92 HE ARG 92 -11.692 33.319 20.456 764 1HH1 ARG 92 1HH1 ARG 92 -13.184 34.310 17.355 765 2HH1 ARG 92 2HH1 ARG 92 -14.033 32.809 17.177 766 1HH2 ARG 92 1HH2 ARG 92 -12.836 31.381 20.183 767 2HH2 ARG 92 2HH2 ARG 92 -13.759 31.096 18.737 768 H GLN 93 H GLN 93 -9.855 37.557 16.638 769 HA GLN 93 HA GLN 93 -10.442 36.119 14.159 770 1HB GLN 93 1HB GLN 93 -11.002 39.008 14.908 771 2HB GLN 93 2HB GLN 93 -11.613 38.181 13.484 772 1HG GLN 93 1HG GLN 93 -12.300 37.507 16.378 773 2HG GLN 93 2HG GLN 93 -13.340 38.280 15.185 774 1HE2 GLN 93 1HE2 GLN 93 -13.171 36.760 12.943 775 2HE2 GLN 93 2HE2 GLN 93 -13.638 35.106 13.276 776 H GLY 94 H GLY 94 -7.622 37.572 15.133 777 1HA GLY 94 1HA GLY 94 -6.857 38.395 12.340 778 2HA GLY 94 2HA GLY 94 -6.147 39.035 13.821 779 H THR 95 H THR 95 -5.856 36.790 15.378 780 HA THR 95 HA THR 95 -3.513 35.543 14.364 781 HB THR 95 HB THR 95 -5.421 34.802 16.665 782 HG1 THR 95 HG1 THR 95 -4.437 36.731 17.022 783 1HG2 THR 95 1HG2 THR 95 -4.096 32.763 16.190 784 2HG2 THR 95 2HG2 THR 95 -2.595 33.710 16.212 785 3HG2 THR 95 3HG2 THR 95 -3.543 33.505 17.688 786 H LEU 96 H LEU 96 -6.876 34.335 14.585 787 HA LEU 96 HA LEU 96 -5.991 31.852 13.403 788 1HB LEU 96 1HB LEU 96 -8.222 32.013 14.560 789 2HB LEU 96 2HB LEU 96 -8.792 33.059 13.253 790 HG LEU 96 HG LEU 96 -8.191 31.073 11.581 791 1HD1 LEU 96 1HD1 LEU 96 -6.816 29.712 13.212 792 2HD1 LEU 96 2HD1 LEU 96 -8.231 29.755 14.285 793 3HD1 LEU 96 3HD1 LEU 96 -8.308 28.860 12.755 794 1HD2 LEU 96 1HD2 LEU 96 -10.200 29.829 12.298 795 2HD2 LEU 96 2HD2 LEU 96 -10.285 30.934 13.673 796 3HD2 LEU 96 3HD2 LEU 96 -10.356 31.588 12.006 797 H THR 97 H THR 97 -7.609 34.681 12.144 798 HA THR 97 HA THR 97 -7.755 34.105 9.388 799 HB THR 97 HB THR 97 -7.348 36.673 10.996 800 HG1 THR 97 HG1 THR 97 -9.447 36.846 10.760 801 1HG2 THR 97 1HG2 THR 97 -7.599 36.639 8.023 802 2HG2 THR 97 2HG2 THR 97 -7.856 38.046 9.101 803 3HG2 THR 97 3HG2 THR 97 -6.266 37.283 9.028 804 H GLU 98 H GLU 98 -4.931 35.101 11.207 805 HA GLU 98 HA GLU 98 -3.391 35.145 8.689 806 1HB GLU 98 1HB GLU 98 -3.090 36.880 10.613 807 2HB GLU 98 2HB GLU 98 -2.401 35.548 11.562 808 1HG GLU 98 1HG GLU 98 -0.693 35.254 9.728 809 2HG GLU 98 2HG GLU 98 -1.403 36.661 8.911 810 H TYR 99 H TYR 99 -3.779 33.113 11.576 811 HA TYR 99 HA TYR 99 -1.632 31.601 10.692 812 1HB TYR 99 1HB TYR 99 -3.006 31.095 12.998 813 2HB TYR 99 2HB TYR 99 -3.847 29.969 12.006 814 HD1 TYR 99 HD1 TYR 99 -0.264 30.142 10.785 815 HD2 TYR 99 HD2 TYR 99 -2.797 28.310 13.817 816 HE1 TYR 99 HE1 TYR 99 1.435 28.466 11.218 817 HE2 TYR 99 HE2 TYR 99 -0.987 26.625 14.181 818 HH TYR 99 HH TYR 99 1.053 25.912 13.544 819 H CYS 100 H CYS 100 -5.018 31.449 9.747 820 HA CYS 100 HA CYS 100 -4.834 28.955 8.347 821 1HB CYS 100 1HB CYS 100 -7.054 30.120 8.720 822 2HB CYS 100 2HB CYS 100 -6.510 31.475 7.705 823 HG CYS 100 HG CYS 100 -8.238 30.110 6.387 824 H SER 101 H SER 101 -4.298 32.298 7.227 825 HA SER 101 HA SER 101 -3.368 31.421 4.639 826 1HB SER 101 1HB SER 101 -2.746 33.973 6.241 827 2HB SER 101 2HB SER 101 -2.515 33.788 4.492 828 HG SER 101 HG SER 101 -4.811 33.382 4.382 829 H THR 102 H THR 102 -1.675 31.814 7.662 830 HA THR 102 HA THR 102 0.939 31.497 6.432 831 HB THR 102 HB THR 102 0.120 31.986 9.314 832 HG1 THR 102 HG1 THR 102 1.180 33.674 7.290 833 1HG2 THR 102 1HG2 THR 102 2.857 31.931 8.021 834 2HG2 THR 102 2HG2 THR 102 2.460 32.838 9.483 835 3HG2 THR 102 3HG2 THR 102 2.277 31.071 9.482 836 H LEU 103 H LEU 103 -1.271 29.376 7.992 837 HA LEU 103 HA LEU 103 0.667 27.307 8.565 838 1HB LEU 103 1HB LEU 103 -2.195 27.639 8.724 839 2HB LEU 103 2HB LEU 103 -2.047 26.291 7.899 840 HG LEU 103 HG LEU 103 -0.895 26.639 10.674 841 1HD1 LEU 103 1HD1 LEU 103 -3.556 26.644 10.208 842 2HD1 LEU 103 2HD1 LEU 103 -3.215 24.961 10.599 843 3HD1 LEU 103 3HD1 LEU 103 -2.701 26.257 11.687 844 1HD2 LEU 103 1HD2 LEU 103 -1.716 23.960 9.482 845 2HD2 LEU 103 2HD2 LEU 103 -0.017 24.453 9.526 846 3HD2 LEU 103 3HD2 LEU 103 -0.950 24.262 10.999 847 H MET 104 H MET 104 -1.154 28.362 5.708 848 HA MET 104 HA MET 104 0.123 26.326 3.945 849 1HB MET 104 1HB MET 104 -2.035 28.431 3.756 850 2HB MET 104 2HB MET 104 -1.262 27.831 2.285 851 1HG MET 104 1HG MET 104 -3.336 26.664 2.791 852 2HG MET 104 2HG MET 104 -1.968 25.555 2.717 853 1HE MET 104 1HE MET 104 -1.849 24.027 6.214 854 2HE MET 104 2HE MET 104 -1.735 23.677 4.464 855 3HE MET 104 3HE MET 104 -0.672 24.860 5.221 856 H SER 105 H SER 105 1.072 29.269 5.179 857 HA SER 105 HA SER 105 2.591 29.896 2.714 858 1HB SER 105 1HB SER 105 1.500 31.852 4.338 859 2HB SER 105 2HB SER 105 2.893 31.427 5.345 860 HG SER 105 HG SER 105 4.191 31.803 3.430 861 H LEU 106 H LEU 106 3.090 28.768 6.099 862 HA LEU 106 HA LEU 106 5.472 28.958 6.442 863 1HB LEU 106 1HB LEU 106 3.788 26.520 6.962 864 2HB LEU 106 2HB LEU 106 5.413 26.730 7.549 865 HG LEU 106 HG LEU 106 2.959 28.011 8.586 866 1HD1 LEU 106 1HD1 LEU 106 4.078 26.124 9.654 867 2HD1 LEU 106 2HD1 LEU 106 5.562 27.095 9.800 868 3HD1 LEU 106 3HD1 LEU 106 4.094 27.581 10.678 869 1HD2 LEU 106 1HD2 LEU 106 4.140 29.775 9.725 870 2HD2 LEU 106 2HD2 LEU 106 5.635 29.429 8.838 871 3HD2 LEU 106 3HD2 LEU 106 4.204 30.064 7.990 872 HA PRO 107 HA PRO 107 7.853 27.008 3.360 873 1HB PRO 107 1HB PRO 107 10.386 27.349 4.192 874 2HB PRO 107 2HB PRO 107 9.355 28.738 3.702 875 1HG PRO 107 1HG PRO 107 9.956 27.732 6.506 876 2HG PRO 107 2HG PRO 107 9.958 29.426 5.946 877 1HD PRO 107 1HD PRO 107 7.849 28.123 7.221 878 2HD PRO 107 2HD PRO 107 7.662 29.577 6.190 879 H THR 108 H THR 108 7.469 25.904 6.426 880 HA THR 108 HA THR 108 9.085 23.416 6.207 881 HB THR 108 HB THR 108 7.588 23.093 8.352 882 HG1 THR 108 HG1 THR 108 6.849 25.121 9.193 883 1HG2 THR 108 1HG2 THR 108 9.976 23.771 8.458 884 2HG2 THR 108 2HG2 THR 108 9.416 25.471 8.410 885 3HG2 THR 108 3HG2 THR 108 8.976 24.412 9.777 886 H LYS 109 H LYS 109 7.485 23.919 4.001 887 HA LYS 109 HA LYS 109 4.950 22.664 4.567 888 1HB LYS 109 1HB LYS 109 5.503 24.168 2.390 889 2HB LYS 109 2HB LYS 109 6.416 22.809 1.766 890 1HG LYS 109 1HG LYS 109 4.420 21.440 1.575 891 2HG LYS 109 2HG LYS 109 3.443 22.657 2.417 892 1HD LYS 109 1HD LYS 109 3.875 24.262 0.561 893 2HD LYS 109 2HD LYS 109 4.875 23.038 -0.253 894 1HE LYS 109 1HE LYS 109 2.899 21.517 -0.381 895 2HE LYS 109 2HE LYS 109 1.900 22.753 0.405 896 1HZ LYS 109 1HZ LYS 109 2.330 24.191 -1.465 897 2HZ LYS 109 2HZ LYS 109 3.253 23.035 -2.191 898 3HZ LYS 109 3HZ LYS 109 1.645 22.778 -1.958 899 H ILE 110 H ILE 110 7.894 21.254 4.289 900 HA ILE 110 HA ILE 110 6.687 18.589 3.748 901 HB ILE 110 HB ILE 110 9.578 19.369 4.338 902 1HG1 ILE 110 1HG1 ILE 110 8.185 18.723 1.692 903 2HG1 ILE 110 2HG1 ILE 110 8.733 20.326 2.205 904 1HG2 ILE 110 1HG2 ILE 110 9.091 17.007 4.937 905 2HG2 ILE 110 2HG2 ILE 110 8.414 16.738 3.316 906 3HG2 ILE 110 3HG2 ILE 110 10.140 17.095 3.538 907 1HD1 ILE 110 1HD1 ILE 110 11.087 19.451 2.306 908 2HD1 ILE 110 2HD1 ILE 110 10.501 17.960 1.524 909 3HD1 ILE 110 3HD1 ILE 110 10.355 19.510 0.690 910 H SER 111 H SER 111 7.952 20.485 6.426 911 HA SER 111 HA SER 111 7.766 18.268 8.283 912 1HB SER 111 1HB SER 111 8.192 21.149 9.052 913 2HB SER 111 2HB SER 111 8.700 19.690 9.893 914 HG SER 111 HG SER 111 10.076 19.273 8.060 915 H ARG 112 H ARG 112 6.004 21.241 7.648 916 HA ARG 112 HA ARG 112 4.021 20.747 9.718 917 1HB ARG 112 1HB ARG 112 4.478 22.967 9.538 918 2HB ARG 112 2HB ARG 112 4.586 22.982 7.798 919 1HG ARG 112 1HG ARG 112 1.932 22.645 9.207 920 2HG ARG 112 2HG ARG 112 2.657 24.209 8.863 921 1HD ARG 112 1HD ARG 112 1.907 22.178 6.714 922 2HD ARG 112 2HD ARG 112 1.046 23.647 7.153 923 HE ARG 112 HE ARG 112 3.678 24.422 6.554 924 1HH1 ARG 112 1HH1 ARG 112 0.965 22.906 4.884 925 2HH1 ARG 112 2HH1 ARG 112 1.219 23.752 3.383 926 1HH2 ARG 112 1HH2 ARG 112 4.071 25.530 4.513 927 2HH2 ARG 112 2HH2 ARG 112 2.983 25.260 3.193 928 H CYS 113 H CYS 113 4.358 19.672 6.455 929 HA CYS 113 HA CYS 113 1.670 19.596 5.682 930 1HB CYS 113 1HB CYS 113 4.085 18.276 4.756 931 2HB CYS 113 2HB CYS 113 2.767 17.106 4.795 932 HG CYS 113 HG CYS 113 1.008 18.393 3.540 933 HA PRO 114 HA PRO 114 0.834 15.421 7.838 934 1HB PRO 114 1HB PRO 114 2.637 14.461 9.724 935 2HB PRO 114 2HB PRO 114 2.694 14.010 7.994 936 1HG PRO 114 1HG PRO 114 4.263 16.209 9.375 937 2HG PRO 114 2HG PRO 114 4.895 14.927 8.299 938 1HD PRO 114 1HD PRO 114 4.397 17.357 7.313 939 2HD PRO 114 2HD PRO 114 3.874 15.923 6.388 940 H HIS 115 H HIS 115 2.401 18.029 9.537 941 HA HIS 115 HA HIS 115 0.857 17.631 11.888 942 1HB HIS 115 1HB HIS 115 2.954 19.160 11.456 943 2HB HIS 115 2HB HIS 115 1.753 20.401 11.153 944 HD1 HIS 115 HD1 HIS 115 1.432 17.665 13.844 945 HD2 HIS 115 HD2 HIS 115 2.257 21.777 13.606 946 HE1 HIS 115 HE1 HIS 115 1.458 18.589 16.212 947 H LEU 116 H LEU 116 0.266 19.925 9.073 948 HA LEU 116 HA LEU 116 -2.052 20.631 9.959 949 1HB LEU 116 1HB LEU 116 -0.866 21.535 7.859 950 2HB LEU 116 2HB LEU 116 -1.691 20.277 6.942 951 HG LEU 116 HG LEU 116 -2.667 22.813 8.082 952 1HD1 LEU 116 1HD1 LEU 116 -4.124 20.892 6.118 953 2HD1 LEU 116 2HD1 LEU 116 -4.371 22.634 6.200 954 3HD1 LEU 116 3HD1 LEU 116 -2.891 21.969 5.487 955 1HD2 LEU 116 1HD2 LEU 116 -3.815 21.622 9.597 956 2HD2 LEU 116 2HD2 LEU 116 -4.829 22.470 8.472 957 3HD2 LEU 116 3HD2 LEU 116 -4.676 20.716 8.304 958 H LEU 117 H LEU 117 -1.392 17.962 7.753 959 HA LEU 117 HA LEU 117 -4.033 16.872 7.357 960 1HB LEU 117 1HB LEU 117 -1.368 15.430 7.526 961 2HB LEU 117 2HB LEU 117 -2.914 14.695 7.189 962 HG LEU 117 HG LEU 117 -2.918 16.454 5.039 963 1HD1 LEU 117 1HD1 LEU 117 -0.852 17.497 5.305 964 2HD1 LEU 117 2HD1 LEU 117 -0.009 15.943 5.636 965 3HD1 LEU 117 3HD1 LEU 117 -0.688 16.295 4.039 966 1HD2 LEU 117 1HD2 LEU 117 -1.567 13.781 5.264 967 2HD2 LEU 117 2HD2 LEU 117 -3.332 14.075 5.114 968 3HD2 LEU 117 3HD2 LEU 117 -2.249 14.617 3.850 969 H ASP 118 H ASP 118 -1.827 16.385 10.059 970 HA ASP 118 HA ASP 118 -3.821 14.748 11.506 971 1HB ASP 118 1HB ASP 118 -1.144 14.919 11.813 972 2HB ASP 118 2HB ASP 118 -1.517 16.346 12.780 973 H PHE 119 H PHE 119 -3.740 18.012 10.908 974 HA PHE 119 HA PHE 119 -4.723 19.021 13.496 975 1HB PHE 119 1HB PHE 119 -3.327 20.110 11.397 976 2HB PHE 119 2HB PHE 119 -4.964 20.514 10.868 977 HD1 PHE 119 HD1 PHE 119 -2.438 22.617 11.203 978 HD2 PHE 119 HD2 PHE 119 -5.576 21.178 13.785 979 HE1 PHE 119 HE1 PHE 119 -2.289 24.557 12.640 980 HE2 PHE 119 HE2 PHE 119 -5.409 23.226 15.210 981 HZ PHE 119 HZ PHE 119 -3.697 24.935 14.575 982 H PHE 120 H PHE 120 -5.639 18.154 10.325 983 HA PHE 120 HA PHE 120 -8.555 18.587 10.695 984 1HB PHE 120 1HB PHE 120 -6.605 17.755 8.407 985 2HB PHE 120 2HB PHE 120 -8.342 17.950 8.197 986 HD1 PHE 120 HD1 PHE 120 -6.518 19.188 6.446 987 HD2 PHE 120 HD2 PHE 120 -7.997 20.609 10.193 988 HE1 PHE 120 HE1 PHE 120 -6.394 21.538 5.593 989 HE2 PHE 120 HE2 PHE 120 -7.875 22.959 9.357 990 HZ PHE 120 HZ PHE 120 -7.100 23.404 7.087 991 H LYS 121 H LYS 121 -6.530 15.917 9.473 992 HA LYS 121 HA LYS 121 -8.676 14.146 9.261 993 1HB LYS 121 1HB LYS 121 -7.343 12.588 8.459 994 2HB LYS 121 2HB LYS 121 -6.371 14.037 8.175 995 1HG LYS 121 1HG LYS 121 -5.304 13.396 10.483 996 2HG LYS 121 2HG LYS 121 -6.015 11.801 10.179 997 1HD LYS 121 1HD LYS 121 -3.942 13.332 8.581 998 2HD LYS 121 2HD LYS 121 -3.704 11.798 9.408 999 1HE LYS 121 1HE LYS 121 -5.051 10.621 7.735 1000 2HE LYS 121 2HE LYS 121 -5.550 12.150 6.993 1001 1HZ LYS 121 1HZ LYS 121 -3.848 11.305 5.674 1002 2HZ LYS 121 2HZ LYS 121 -3.198 12.552 6.495 1003 3HZ LYS 121 3HZ LYS 121 -2.835 11.020 6.928 1004 H VAL 122 H VAL 122 -6.962 15.085 12.090 1005 HA VAL 122 HA VAL 122 -8.157 12.836 13.629 1006 HB VAL 122 HB VAL 122 -5.879 14.652 14.448 1007 1HG1 VAL 122 1HG1 VAL 122 -7.128 13.849 16.397 1008 2HG1 VAL 122 2HG1 VAL 122 -7.132 12.197 15.732 1009 3HG1 VAL 122 3HG1 VAL 122 -5.612 12.955 16.256 1010 1HG2 VAL 122 1HG2 VAL 122 -4.612 12.440 14.195 1011 2HG2 VAL 122 2HG2 VAL 122 -6.034 11.807 13.341 1012 3HG2 VAL 122 3HG2 VAL 122 -5.130 13.182 12.679 1013 H ARG 123 H ARG 123 -8.044 16.426 13.441 1014 HA ARG 123 HA ARG 123 -9.052 17.857 15.105 1015 1HB ARG 123 1HB ARG 123 -9.951 17.937 12.803 1016 2HB ARG 123 2HB ARG 123 -11.290 16.958 13.409 1017 1HG ARG 123 1HG ARG 123 -12.017 19.213 13.564 1018 2HG ARG 123 2HG ARG 123 -11.637 18.759 15.192 1019 1HD ARG 123 1HD ARG 123 -9.223 19.819 13.998 1020 2HD ARG 123 2HD ARG 123 -10.535 20.911 13.619 1021 HE ARG 123 HE ARG 123 -11.124 20.986 16.000 1022 1HH1 ARG 123 1HH1 ARG 123 -7.712 20.341 15.174 1023 2HH1 ARG 123 2HH1 ARG 123 -7.193 20.436 16.837 1024 1HH2 ARG 123 1HH2 ARG 123 -10.422 20.826 18.200 1025 2HH2 ARG 123 2HH2 ARG 123 -8.730 20.643 18.553 1026 HA PRO 124 HA PRO 124 -11.152 15.368 18.125 1027 1HB PRO 124 1HB PRO 124 -10.085 16.380 20.465 1028 2HB PRO 124 2HB PRO 124 -9.150 15.273 19.422 1029 1HG PRO 124 1HG PRO 124 -9.112 18.300 19.374 1030 2HG PRO 124 2HG PRO 124 -7.702 17.212 19.542 1031 1HD PRO 124 1HD PRO 124 -8.421 18.204 17.136 1032 2HD PRO 124 2HD PRO 124 -7.863 16.525 17.264 1033 H ASP 125 H ASP 125 -12.175 17.488 16.661 1034 HA ASP 125 HA ASP 125 -14.311 18.069 18.432 1035 1HB ASP 125 1HB ASP 125 -12.856 20.310 16.876 1036 2HB ASP 125 2HB ASP 125 -14.506 20.477 17.479 1037 H ASP 126 H ASP 126 -13.240 16.903 15.603 1038 HA ASP 126 HA ASP 126 -15.787 17.433 14.169 1039 1HB ASP 126 1HB ASP 126 -13.756 17.578 12.772 1040 2HB ASP 126 2HB ASP 126 -13.181 16.030 13.435 1041 H LEU 127 H LEU 127 -13.687 14.665 15.206 1042 HA LEU 127 HA LEU 127 -16.128 13.126 15.841 1043 1HB LEU 127 1HB LEU 127 -13.800 12.482 13.928 1044 2HB LEU 127 2HB LEU 127 -14.710 11.148 14.507 1045 HG LEU 127 HG LEU 127 -16.221 13.340 12.870 1046 1HD1 LEU 127 1HD1 LEU 127 -16.244 11.663 11.163 1047 2HD1 LEU 127 2HD1 LEU 127 -14.558 12.066 11.554 1048 3HD1 LEU 127 3HD1 LEU 127 -15.275 10.548 12.154 1049 1HD2 LEU 127 1HD2 LEU 127 -17.660 12.147 14.496 1050 2HD2 LEU 127 2HD2 LEU 127 -17.951 11.623 12.837 1051 3HD2 LEU 127 3HD2 LEU 127 -17.015 10.590 13.929 1052 H LYS 128 H LYS 128 -13.901 14.497 17.369 1053 HA LYS 128 HA LYS 128 -13.477 12.294 19.175 1054 1HB LYS 128 1HB LYS 128 -11.306 13.347 17.342 1055 2HB LYS 128 2HB LYS 128 -10.830 13.403 19.029 1056 1HG LYS 128 1HG LYS 128 -11.350 10.987 19.279 1057 2HG LYS 128 2HG LYS 128 -11.829 10.930 17.577 1058 1HD LYS 128 1HD LYS 128 -9.613 10.085 17.736 1059 2HD LYS 128 2HD LYS 128 -9.551 11.643 16.894 1060 1HE LYS 128 1HE LYS 128 -8.696 12.754 18.907 1061 2HE LYS 128 2HE LYS 128 -8.977 11.296 19.881 1062 1HZ LYS 128 1HZ LYS 128 -7.316 10.190 18.551 1063 2HZ LYS 128 2HZ LYS 128 -7.050 11.560 17.680 1064 3HZ LYS 128 3HZ LYS 128 -6.698 11.527 19.285 1065 H LEU 129 H LEU 129 -15.042 14.452 19.084 1066 HA LEU 129 HA LEU 129 -14.423 16.785 20.335 1067 1HB LEU 129 1HB LEU 129 -16.851 14.926 20.442 1068 2HB LEU 129 2HB LEU 129 -16.974 16.526 21.076 1069 HG LEU 129 HG LEU 129 -16.161 16.350 18.056 1070 1HD1 LEU 129 1HD1 LEU 129 -17.932 14.698 18.347 1071 2HD1 LEU 129 2HD1 LEU 129 -18.915 15.887 19.239 1072 3HD1 LEU 129 3HD1 LEU 129 -18.498 16.169 17.527 1073 1HD2 LEU 129 1HD2 LEU 129 -17.562 18.369 18.095 1074 2HD2 LEU 129 2HD2 LEU 129 -17.961 18.122 19.799 1075 3HD2 LEU 129 3HD2 LEU 129 -16.290 18.495 19.335 1076 HA PRO 130 HA PRO 130 -13.829 16.033 24.600 1077 1HB PRO 130 1HB PRO 130 -15.627 18.162 25.545 1078 2HB PRO 130 2HB PRO 130 -13.850 18.122 25.576 1079 1HG PRO 130 1HG PRO 130 -15.240 19.810 23.903 1080 2HG PRO 130 2HG PRO 130 -13.715 19.024 23.382 1081 1HD PRO 130 1HD PRO 130 -16.548 18.044 22.928 1082 2HD PRO 130 2HD PRO 130 -15.304 18.357 21.693 Start of MODEL 10 1 1H GLY 1 1H GLY 1 -4.800 9.704 -3.413 2 2H GLY 1 2H GLY 1 -4.831 10.064 -4.996 3 3H GLY 1 3H GLY 1 -5.500 8.665 -4.463 4 1HA GLY 1 1HA GLY 1 -3.359 8.273 -5.548 5 2HA GLY 1 2HA GLY 1 -2.623 9.281 -4.283 6 H SER 2 H SER 2 -1.936 6.539 -4.778 7 HA SER 2 HA SER 2 -3.258 4.805 -2.861 8 1HB SER 2 1HB SER 2 -2.254 4.035 -5.006 9 2HB SER 2 2HB SER 2 -0.643 4.400 -4.359 10 HG SER 2 HG SER 2 -2.558 2.590 -3.275 11 H MET 3 H MET 3 -2.971 6.452 -1.039 12 HA MET 3 HA MET 3 -0.564 5.800 0.499 13 1HB MET 3 1HB MET 3 0.094 7.812 -0.768 14 2HB MET 3 2HB MET 3 -1.408 8.605 -0.296 15 1HG MET 3 1HG MET 3 0.005 9.609 1.124 16 2HG MET 3 2HG MET 3 -0.505 8.302 2.161 17 1HE MET 3 1HE MET 3 2.778 6.037 2.101 18 2HE MET 3 2HE MET 3 1.044 6.072 2.492 19 3HE MET 3 3HE MET 3 1.594 5.876 0.798 20 H GLY 4 H GLY 4 -1.477 5.175 2.562 21 1HA GLY 4 1HA GLY 4 -4.199 6.004 3.260 22 2HA GLY 4 2HA GLY 4 -3.111 4.928 4.168 23 H ASP 5 H ASP 5 -3.197 8.253 3.033 24 HA ASP 5 HA ASP 5 -3.444 9.480 5.495 25 1HB ASP 5 1HB ASP 5 -0.936 8.800 5.887 26 2HB ASP 5 2HB ASP 5 -0.527 9.403 4.300 27 H THR 6 H THR 6 -1.853 9.596 2.376 28 HA THR 6 HA THR 6 -1.654 10.980 0.647 29 HB THR 6 HB THR 6 -3.880 9.939 0.384 30 HG1 THR 6 HG1 THR 6 -4.256 11.268 -1.380 31 1HG2 THR 6 1HG2 THR 6 -4.665 12.694 1.439 32 2HG2 THR 6 2HG2 THR 6 -5.707 11.653 0.458 33 3HG2 THR 6 3HG2 THR 6 -5.096 11.093 2.050 34 H PHE 7 H PHE 7 -3.093 13.244 0.017 35 HA PHE 7 HA PHE 7 -1.875 15.258 1.856 36 1HB PHE 7 1HB PHE 7 -1.342 15.126 -1.091 37 2HB PHE 7 2HB PHE 7 -0.536 16.112 0.089 38 HD1 PHE 7 HD1 PHE 7 -0.595 12.631 -1.430 39 HD2 PHE 7 HD2 PHE 7 0.772 14.729 2.151 40 HE1 PHE 7 HE1 PHE 7 0.946 10.858 -0.926 41 HE2 PHE 7 HE2 PHE 7 2.283 12.915 2.595 42 HZ PHE 7 HZ PHE 7 2.417 10.965 1.074 43 H ILE 8 H ILE 8 -2.125 17.532 1.055 44 HA ILE 8 HA ILE 8 -4.980 17.836 0.497 45 HB ILE 8 HB ILE 8 -3.163 19.230 2.484 46 1HG1 ILE 8 1HG1 ILE 8 -5.591 17.369 2.504 47 2HG1 ILE 8 2HG1 ILE 8 -3.974 17.063 3.164 48 1HG2 ILE 8 1HG2 ILE 8 -6.013 20.059 1.897 49 2HG2 ILE 8 2HG2 ILE 8 -4.977 20.629 3.220 50 3HG2 ILE 8 3HG2 ILE 8 -4.532 21.018 1.588 51 1HD1 ILE 8 1HD1 ILE 8 -6.115 18.925 4.150 52 2HD1 ILE 8 2HD1 ILE 8 -5.465 17.481 4.955 53 3HD1 ILE 8 3HD1 ILE 8 -4.438 18.934 4.791 54 H ARG 9 H ARG 9 -5.849 19.846 -0.139 55 HA ARG 9 HA ARG 9 -4.285 20.985 -2.390 56 1HB ARG 9 1HB ARG 9 -6.752 19.854 -2.585 57 2HB ARG 9 2HB ARG 9 -7.335 21.323 -1.855 58 1HG ARG 9 1HG ARG 9 -5.741 21.096 -4.445 59 2HG ARG 9 2HG ARG 9 -7.481 21.379 -4.274 60 1HD ARG 9 1HD ARG 9 -6.935 23.523 -3.033 61 2HD ARG 9 2HD ARG 9 -5.227 23.261 -3.490 62 HE ARG 9 HE ARG 9 -6.871 23.103 -5.806 63 1HH1 ARG 9 1HH1 ARG 9 -5.580 25.460 -3.499 64 2HH1 ARG 9 2HH1 ARG 9 -5.614 26.793 -4.620 65 1HH2 ARG 9 1HH2 ARG 9 -6.911 24.856 -7.298 66 2HH2 ARG 9 2HH2 ARG 9 -6.379 26.439 -6.810 67 H HIS 10 H HIS 10 -6.685 21.993 0.089 68 HA HIS 10 HA HIS 10 -5.011 23.861 1.313 69 1HB HIS 10 1HB HIS 10 -5.273 25.825 0.119 70 2HB HIS 10 2HB HIS 10 -5.699 24.856 -1.250 71 HD1 HIS 10 HD1 HIS 10 -6.758 27.860 -0.229 72 HD2 HIS 10 HD2 HIS 10 -8.899 24.294 -0.681 73 HE1 HIS 10 HE1 HIS 10 -9.215 28.456 -0.544 74 H ILE 11 H ILE 11 -6.294 25.832 2.311 75 HA ILE 11 HA ILE 11 -8.503 24.629 3.782 76 HB ILE 11 HB ILE 11 -6.988 26.975 4.836 77 1HG1 ILE 11 1HG1 ILE 11 -5.921 24.141 4.969 78 2HG1 ILE 11 2HG1 ILE 11 -5.185 25.542 4.202 79 1HG2 ILE 11 1HG2 ILE 11 -7.665 25.896 6.994 80 2HG2 ILE 11 2HG2 ILE 11 -9.045 26.206 5.967 81 3HG2 ILE 11 3HG2 ILE 11 -8.414 24.566 6.083 82 1HD1 ILE 11 1HD1 ILE 11 -4.092 25.131 6.316 83 2HD1 ILE 11 2HD1 ILE 11 -4.898 26.710 6.294 84 3HD1 ILE 11 3HD1 ILE 11 -5.586 25.358 7.208 85 H ALA 12 H ALA 12 -10.406 25.945 4.284 86 HA ALA 12 HA ALA 12 -10.677 28.628 3.154 87 1HB ALA 12 1HB ALA 12 -12.878 27.902 2.152 88 2HB ALA 12 2HB ALA 12 -11.495 27.157 1.328 89 3HB ALA 12 3HB ALA 12 -12.450 26.213 2.479 90 H LEU 13 H LEU 13 -12.869 29.466 4.212 91 HA LEU 13 HA LEU 13 -13.443 27.904 6.543 92 1HB LEU 13 1HB LEU 13 -11.594 29.669 6.841 93 2HB LEU 13 2HB LEU 13 -12.794 30.919 6.746 94 HG LEU 13 HG LEU 13 -12.457 28.729 8.956 95 1HD1 LEU 13 1HD1 LEU 13 -11.380 30.365 10.200 96 2HD1 LEU 13 2HD1 LEU 13 -10.492 30.146 8.691 97 3HD1 LEU 13 3HD1 LEU 13 -11.517 31.586 8.922 98 1HD2 LEU 13 1HD2 LEU 13 -13.899 31.369 9.351 99 2HD2 LEU 13 2HD2 LEU 13 -14.716 29.802 9.154 100 3HD2 LEU 13 3HD2 LEU 13 -13.633 30.064 10.507 101 H LEU 14 H LEU 14 -15.389 28.093 7.538 102 HA LEU 14 HA LEU 14 -17.399 29.269 5.655 103 1HB LEU 14 1HB LEU 14 -17.232 26.735 7.190 104 2HB LEU 14 2HB LEU 14 -18.498 27.627 7.895 105 HG LEU 14 HG LEU 14 -19.474 27.961 5.531 106 1HD1 LEU 14 1HD1 LEU 14 -18.334 25.973 3.957 107 2HD1 LEU 14 2HD1 LEU 14 -17.957 27.688 3.821 108 3HD1 LEU 14 3HD1 LEU 14 -16.908 26.646 4.758 109 1HD2 LEU 14 1HD2 LEU 14 -19.049 25.121 6.528 110 2HD2 LEU 14 2HD2 LEU 14 -20.341 26.246 6.971 111 3HD2 LEU 14 3HD2 LEU 14 -20.258 25.613 5.319 112 H GLY 15 H GLY 15 -16.642 29.105 9.102 113 1HA GLY 15 1HA GLY 15 -16.768 31.823 9.560 114 2HA GLY 15 2HA GLY 15 -18.485 31.453 9.479 115 H PHE 16 H PHE 16 -19.476 31.162 11.292 116 HA PHE 16 HA PHE 16 -18.029 31.075 13.818 117 1HB PHE 16 1HB PHE 16 -20.982 31.155 13.295 118 2HB PHE 16 2HB PHE 16 -20.176 31.553 14.769 119 HD1 PHE 16 HD1 PHE 16 -18.224 33.638 14.530 120 HD2 PHE 16 HD2 PHE 16 -21.508 33.100 11.687 121 HE1 PHE 16 HE1 PHE 16 -17.996 35.895 13.771 122 HE2 PHE 16 HE2 PHE 16 -21.215 35.367 10.985 123 HZ PHE 16 HZ PHE 16 -19.471 36.811 11.997 124 H GLU 17 H GLU 17 -19.325 29.706 15.558 125 HA GLU 17 HA GLU 17 -20.787 27.457 14.956 126 1HB GLU 17 1HB GLU 17 -18.818 26.431 14.003 127 2HB GLU 17 2HB GLU 17 -17.885 26.803 15.442 128 1HG GLU 17 1HG GLU 17 -18.505 24.450 15.324 129 2HG GLU 17 2HG GLU 17 -19.272 25.168 16.724 130 H LYS 18 H LYS 18 -21.296 26.244 17.025 131 HA LYS 18 HA LYS 18 -20.905 27.836 19.436 132 1HB LYS 18 1HB LYS 18 -23.414 26.287 18.985 133 2HB LYS 18 2HB LYS 18 -23.053 27.659 19.989 134 1HG LYS 18 1HG LYS 18 -24.483 28.449 18.355 135 2HG LYS 18 2HG LYS 18 -22.893 29.074 17.912 136 1HD LYS 18 1HD LYS 18 -24.298 28.370 15.996 137 2HD LYS 18 2HD LYS 18 -22.749 27.574 16.035 138 1HE LYS 18 1HE LYS 18 -23.979 25.549 17.123 139 2HE LYS 18 2HE LYS 18 -25.475 26.393 16.673 140 1HZ LYS 18 1HZ LYS 18 -24.555 26.325 14.381 141 2HZ LYS 18 2HZ LYS 18 -23.257 25.481 14.980 142 3HZ LYS 18 3HZ LYS 18 -24.763 24.820 15.035 143 H ARG 19 H ARG 19 -19.303 26.449 20.457 144 HA ARG 19 HA ARG 19 -20.082 23.652 21.125 145 1HB ARG 19 1HB ARG 19 -17.512 24.882 20.313 146 2HB ARG 19 2HB ARG 19 -17.412 24.026 21.851 147 1HG ARG 19 1HG ARG 19 -16.808 22.578 19.997 148 2HG ARG 19 2HG ARG 19 -18.239 21.970 20.850 149 1HD ARG 19 1HD ARG 19 -19.702 22.822 19.088 150 2HD ARG 19 2HD ARG 19 -18.330 23.613 18.283 151 HE ARG 19 HE ARG 19 -17.612 20.938 18.426 152 1HH1 ARG 19 1HH1 ARG 19 -20.298 22.796 17.083 153 2HH1 ARG 19 2HH1 ARG 19 -20.480 21.826 15.663 154 1HH2 ARG 19 1HH2 ARG 19 -17.893 19.550 16.545 155 2HH2 ARG 19 2HH2 ARG 19 -19.255 19.819 15.503 156 H PHE 20 H PHE 20 -21.317 23.880 22.921 157 HA PHE 20 HA PHE 20 -20.703 25.977 24.750 158 1HB PHE 20 1HB PHE 20 -22.584 23.539 25.099 159 2HB PHE 20 2HB PHE 20 -23.028 25.073 25.690 160 HD1 PHE 20 HD1 PHE 20 -23.398 22.691 22.756 161 HD2 PHE 20 HD2 PHE 20 -23.595 27.000 23.586 162 HE1 PHE 20 HE1 PHE 20 -24.626 23.070 20.776 163 HE2 PHE 20 HE2 PHE 20 -24.830 27.277 21.578 164 HZ PHE 20 HZ PHE 20 -25.383 25.338 20.128 165 H VAL 21 H VAL 21 -19.654 22.792 24.296 166 HA VAL 21 HA VAL 21 -19.044 22.460 27.060 167 HB VAL 21 HB VAL 21 -19.435 19.798 25.984 168 1HG1 VAL 21 1HG1 VAL 21 -21.570 21.723 27.044 169 2HG1 VAL 21 2HG1 VAL 21 -21.643 19.946 27.089 170 3HG1 VAL 21 3HG1 VAL 21 -20.454 20.820 28.097 171 1HG2 VAL 21 1HG2 VAL 21 -21.468 21.401 24.630 172 2HG2 VAL 21 2HG2 VAL 21 -19.969 20.714 23.899 173 3HG2 VAL 21 3HG2 VAL 21 -21.170 19.644 24.681 174 HA PRO 22 HA PRO 22 -17.823 20.340 27.872 175 1HB PRO 22 1HB PRO 22 -15.480 20.022 29.219 176 2HB PRO 22 2HB PRO 22 -15.984 18.958 27.875 177 1HG PRO 22 1HG PRO 22 -14.139 21.351 27.740 178 2HG PRO 22 2HG PRO 22 -13.865 19.717 27.066 179 1HD PRO 22 1HD PRO 22 -14.858 21.842 25.639 180 2HD PRO 22 2HD PRO 22 -15.309 20.157 25.239 181 H SER 23 H SER 23 -16.523 23.302 27.113 182 HA SER 23 HA SER 23 -17.435 24.530 29.589 183 1HB SER 23 1HB SER 23 -14.748 24.289 29.548 184 2HB SER 23 2HB SER 23 -14.781 25.415 28.208 185 HG SER 23 HG SER 23 -15.727 25.837 30.849 186 H GLN 24 H GLN 24 -17.511 27.105 29.179 187 HA GLN 24 HA GLN 24 -19.247 27.326 26.912 188 1HB GLN 24 1HB GLN 24 -18.348 29.497 28.753 189 2HB GLN 24 2HB GLN 24 -19.789 29.380 27.771 190 1HG GLN 24 1HG GLN 24 -19.338 27.622 30.367 191 2HG GLN 24 2HG GLN 24 -20.626 28.757 30.161 192 1HE2 GLN 24 1HE2 GLN 24 -19.641 25.581 29.798 193 2HE2 GLN 24 2HE2 GLN 24 -20.892 25.019 28.705 194 H HIS 25 H HIS 25 -18.257 27.788 24.799 195 HA HIS 25 HA HIS 25 -16.753 30.176 24.583 196 1HB HIS 25 1HB HIS 25 -14.906 28.452 23.434 197 2HB HIS 25 2HB HIS 25 -14.714 29.022 25.123 198 HD1 HIS 25 HD1 HIS 25 -16.842 26.295 23.433 199 HD2 HIS 25 HD2 HIS 25 -13.711 26.620 26.199 200 HE1 HIS 25 HE1 HIS 25 -16.355 24.005 24.229 201 H TYR 26 H TYR 26 -17.518 30.926 22.411 202 HA TYR 26 HA TYR 26 -18.428 28.809 20.647 203 1HB TYR 26 1HB TYR 26 -18.272 31.824 20.417 204 2HB TYR 26 2HB TYR 26 -18.416 30.904 18.972 205 HD1 TYR 26 HD1 TYR 26 -20.288 29.526 22.042 206 HD2 TYR 26 HD2 TYR 26 -20.804 31.948 18.418 207 HE1 TYR 26 HE1 TYR 26 -22.643 29.403 22.241 208 HE2 TYR 26 HE2 TYR 26 -23.153 31.774 18.700 209 HH TYR 26 HH TYR 26 -24.905 30.985 19.974 210 H VAL 27 H VAL 27 -17.673 28.480 18.427 211 HA VAL 27 HA VAL 27 -14.718 28.825 18.129 212 HB VAL 27 HB VAL 27 -14.402 26.506 17.806 213 1HG1 VAL 27 1HG1 VAL 27 -14.536 27.155 20.170 214 2HG1 VAL 27 2HG1 VAL 27 -16.253 26.716 20.194 215 3HG1 VAL 27 3HG1 VAL 27 -15.045 25.475 19.901 216 1HG2 VAL 27 1HG2 VAL 27 -16.237 24.827 17.956 217 2HG2 VAL 27 2HG2 VAL 27 -17.409 26.160 17.848 218 3HG2 VAL 27 3HG2 VAL 27 -16.272 25.821 16.506 219 H TYR 28 H TYR 28 -14.213 27.837 15.698 220 HA TYR 28 HA TYR 28 -16.069 29.260 14.027 221 1HB TYR 28 1HB TYR 28 -13.776 28.998 12.519 222 2HB TYR 28 2HB TYR 28 -14.336 30.403 13.425 223 HD1 TYR 28 HD1 TYR 28 -11.505 27.979 13.167 224 HD2 TYR 28 HD2 TYR 28 -13.597 30.813 15.681 225 HE1 TYR 28 HE1 TYR 28 -9.690 28.125 14.576 226 HE2 TYR 28 HE2 TYR 28 -11.650 30.969 17.145 227 HH TYR 28 HH TYR 28 -8.589 29.641 16.346 228 H MET 29 H MET 29 -17.011 28.315 12.287 229 HA MET 29 HA MET 29 -16.612 25.497 11.912 230 1HB MET 29 1HB MET 29 -18.762 26.383 11.609 231 2HB MET 29 2HB MET 29 -18.262 27.482 10.285 232 1HG MET 29 1HG MET 29 -19.370 25.493 9.382 233 2HG MET 29 2HG MET 29 -17.640 25.384 9.030 234 1HE MET 29 1HE MET 29 -16.904 23.221 8.845 235 2HE MET 29 2HE MET 29 -17.688 21.801 9.572 236 3HE MET 29 3HE MET 29 -18.626 22.897 8.498 237 H PHE 30 H PHE 30 -14.720 24.708 10.742 238 HA PHE 30 HA PHE 30 -13.366 26.510 9.016 239 1HB PHE 30 1HB PHE 30 -12.720 24.892 11.339 240 2HB PHE 30 2HB PHE 30 -12.260 23.939 10.014 241 HD1 PHE 30 HD1 PHE 30 -11.728 27.886 10.805 242 HD2 PHE 30 HD2 PHE 30 -9.957 24.118 9.507 243 HE1 PHE 30 HE1 PHE 30 -9.553 28.900 10.443 244 HE2 PHE 30 HE2 PHE 30 -7.818 25.248 9.210 245 HZ PHE 30 HZ PHE 30 -7.625 27.662 9.681 246 H LEU 31 H LEU 31 -12.685 25.663 6.800 247 HA LEU 31 HA LEU 31 -13.852 23.118 6.159 248 1HB LEU 31 1HB LEU 31 -14.164 25.823 5.054 249 2HB LEU 31 2HB LEU 31 -13.501 24.759 3.826 250 HG LEU 31 HG LEU 31 -15.911 24.898 3.717 251 1HD1 LEU 31 1HD1 LEU 31 -14.929 22.149 4.531 252 2HD1 LEU 31 2HD1 LEU 31 -16.303 22.545 3.470 253 3HD1 LEU 31 3HD1 LEU 31 -14.639 22.943 2.970 254 1HD2 LEU 31 1HD2 LEU 31 -16.133 23.377 6.359 255 2HD2 LEU 31 2HD2 LEU 31 -16.229 25.128 6.270 256 3HD2 LEU 31 3HD2 LEU 31 -17.406 24.132 5.394 257 H VAL 32 H VAL 32 -12.544 21.439 5.412 258 HA VAL 32 HA VAL 32 -9.918 22.325 4.421 259 HB VAL 32 HB VAL 32 -9.336 21.246 6.196 260 1HG1 VAL 32 1HG1 VAL 32 -11.448 20.375 6.995 261 2HG1 VAL 32 2HG1 VAL 32 -11.382 19.078 5.764 262 3HG1 VAL 32 3HG1 VAL 32 -10.187 19.138 7.083 263 1HG2 VAL 32 1HG2 VAL 32 -8.137 20.341 4.294 264 2HG2 VAL 32 2HG2 VAL 32 -8.396 19.034 5.473 265 3HG2 VAL 32 3HG2 VAL 32 -9.384 19.111 4.027 266 H LYS 33 H LYS 33 -9.296 21.681 2.320 267 HA LYS 33 HA LYS 33 -11.351 20.203 0.830 268 1HB LYS 33 1HB LYS 33 -9.470 22.308 -0.143 269 2HB LYS 33 2HB LYS 33 -10.750 21.488 -1.064 270 1HG LYS 33 1HG LYS 33 -12.247 22.342 1.013 271 2HG LYS 33 2HG LYS 33 -10.940 23.525 1.146 272 1HD LYS 33 1HD LYS 33 -12.521 24.626 -0.190 273 2HD LYS 33 2HD LYS 33 -11.424 23.964 -1.420 274 1HE LYS 33 1HE LYS 33 -12.975 21.996 -1.685 275 2HE LYS 33 2HE LYS 33 -14.009 22.656 -0.403 276 1HZ LYS 33 1HZ LYS 33 -13.577 23.825 -3.048 277 2HZ LYS 33 2HZ LYS 33 -14.944 23.130 -2.419 278 3HZ LYS 33 3HZ LYS 33 -14.406 24.561 -1.818 279 H TRP 34 H TRP 34 -10.614 18.085 0.348 280 HA TRP 34 HA TRP 34 -7.708 17.795 0.185 281 1HB TRP 34 1HB TRP 34 -9.877 15.723 0.405 282 2HB TRP 34 2HB TRP 34 -8.165 15.399 0.321 283 HD1 TRP 34 HD1 TRP 34 -10.593 17.131 2.683 284 HE1 TRP 34 HE1 TRP 34 -9.820 16.684 5.130 285 HE3 TRP 34 HE3 TRP 34 -6.239 14.621 1.706 286 HZ2 TRP 34 HZ2 TRP 34 -7.618 15.381 6.450 287 HZ3 TRP 34 HZ3 TRP 34 -4.847 13.803 3.575 288 HH2 TRP 34 HH2 TRP 34 -5.560 14.084 5.912 289 H GLN 35 H GLN 35 -6.834 16.359 -1.575 290 HA GLN 35 HA GLN 35 -8.305 16.859 -4.085 291 1HB GLN 35 1HB GLN 35 -5.895 16.107 -5.102 292 2HB GLN 35 2HB GLN 35 -5.829 17.577 -4.158 293 1HG GLN 35 1HG GLN 35 -3.994 16.215 -3.664 294 2HG GLN 35 2HG GLN 35 -4.977 16.361 -2.220 295 1HE2 GLN 35 1HE2 GLN 35 -5.235 14.393 -1.128 296 2HE2 GLN 35 2HE2 GLN 35 -5.231 12.825 -1.944 297 H ASP 36 H ASP 36 -8.127 14.427 -1.875 298 HA ASP 36 HA ASP 36 -9.019 12.456 -3.858 299 1HB ASP 36 1HB ASP 36 -7.334 12.221 -1.253 300 2HB ASP 36 2HB ASP 36 -8.289 10.845 -1.755 301 H LEU 37 H LEU 37 -9.227 13.204 -0.369 302 HA LEU 37 HA LEU 37 -11.773 11.938 -0.017 303 1HB LEU 37 1HB LEU 37 -10.324 13.928 1.635 304 2HB LEU 37 2HB LEU 37 -11.840 13.163 2.068 305 HG LEU 37 HG LEU 37 -10.629 10.830 2.101 306 1HD1 LEU 37 1HD1 LEU 37 -8.222 12.619 1.565 307 2HD1 LEU 37 2HD1 LEU 37 -8.146 10.969 2.221 308 3HD1 LEU 37 3HD1 LEU 37 -8.775 11.227 0.599 309 1HD2 LEU 37 1HD2 LEU 37 -11.097 12.044 4.046 310 2HD2 LEU 37 2HD2 LEU 37 -9.562 11.155 4.110 311 3HD2 LEU 37 3HD2 LEU 37 -9.549 12.934 3.886 312 H SER 38 H SER 38 -10.987 14.891 -1.557 313 HA SER 38 HA SER 38 -12.312 16.690 -2.306 314 1HB SER 38 1HB SER 38 -13.908 14.622 -2.911 315 2HB SER 38 2HB SER 38 -14.808 15.031 -1.464 316 HG SER 38 HG SER 38 -15.589 16.086 -3.326 317 H GLU 39 H GLU 39 -14.877 17.366 -1.117 318 HA GLU 39 HA GLU 39 -13.789 19.117 0.759 319 1HB GLU 39 1HB GLU 39 -16.776 18.525 0.082 320 2HB GLU 39 2HB GLU 39 -16.256 19.920 1.004 321 1HG GLU 39 1HG GLU 39 -14.663 20.423 -1.005 322 2HG GLU 39 2HG GLU 39 -15.635 19.253 -1.905 323 H LYS 40 H LYS 40 -13.826 19.174 3.074 324 HA LYS 40 HA LYS 40 -15.336 17.082 4.462 325 1HB LYS 40 1HB LYS 40 -12.536 16.847 4.020 326 2HB LYS 40 2HB LYS 40 -12.730 17.270 5.720 327 1HG LYS 40 1HG LYS 40 -14.455 15.066 4.586 328 2HG LYS 40 2HG LYS 40 -12.747 14.759 4.848 329 1HD LYS 40 1HD LYS 40 -14.204 14.067 6.755 330 2HD LYS 40 2HD LYS 40 -12.848 15.123 7.180 331 1HE LYS 40 1HE LYS 40 -14.273 17.036 7.382 332 2HE LYS 40 2HE LYS 40 -15.690 16.147 6.766 333 1HZ LYS 40 1HZ LYS 40 -14.284 15.587 9.314 334 2HZ LYS 40 2HZ LYS 40 -15.647 16.431 9.175 335 3HZ LYS 40 3HZ LYS 40 -15.639 14.836 8.763 336 H VAL 41 H VAL 41 -16.405 18.222 6.113 337 HA VAL 41 HA VAL 41 -15.529 20.932 6.596 338 HB VAL 41 HB VAL 41 -17.623 21.444 7.144 339 1HG1 VAL 41 1HG1 VAL 41 -18.963 20.686 5.319 340 2HG1 VAL 41 2HG1 VAL 41 -17.281 20.728 4.770 341 3HG1 VAL 41 3HG1 VAL 41 -18.046 19.180 5.159 342 1HG2 VAL 41 1HG2 VAL 41 -17.999 19.764 8.907 343 2HG2 VAL 41 2HG2 VAL 41 -19.366 19.839 7.794 344 3HG2 VAL 41 3HG2 VAL 41 -18.169 18.507 7.672 345 H VAL 42 H VAL 42 -14.930 21.688 8.781 346 HA VAL 42 HA VAL 42 -14.921 19.656 10.890 347 HB VAL 42 HB VAL 42 -12.639 19.723 11.391 348 1HG1 VAL 42 1HG1 VAL 42 -13.207 18.101 9.693 349 2HG1 VAL 42 2HG1 VAL 42 -12.859 19.287 8.405 350 3HG1 VAL 42 3HG1 VAL 42 -11.560 18.699 9.443 351 1HG2 VAL 42 1HG2 VAL 42 -10.894 20.817 9.982 352 2HG2 VAL 42 2HG2 VAL 42 -12.167 21.729 9.167 353 3HG2 VAL 42 3HG2 VAL 42 -11.881 21.936 10.924 354 H TYR 43 H TYR 43 -14.232 20.615 13.052 355 HA TYR 43 HA TYR 43 -15.307 23.322 13.243 356 1HB TYR 43 1HB TYR 43 -15.124 21.247 15.312 357 2HB TYR 43 2HB TYR 43 -16.104 22.675 15.305 358 HD1 TYR 43 HD1 TYR 43 -15.797 19.304 13.230 359 HD2 TYR 43 HD2 TYR 43 -18.536 22.520 14.251 360 HE1 TYR 43 HE1 TYR 43 -17.550 18.195 12.135 361 HE2 TYR 43 HE2 TYR 43 -20.260 21.359 13.132 362 HH TYR 43 HH TYR 43 -20.868 19.523 11.885 363 H ARG 44 H ARG 44 -14.030 24.822 14.489 364 HA ARG 44 HA ARG 44 -11.382 23.775 15.471 365 1HB ARG 44 1HB ARG 44 -11.493 24.514 13.047 366 2HB ARG 44 2HB ARG 44 -11.914 26.084 13.660 367 1HG ARG 44 1HG ARG 44 -9.703 26.304 13.228 368 2HG ARG 44 2HG ARG 44 -9.628 25.850 14.957 369 1HD ARG 44 1HD ARG 44 -8.689 23.772 14.446 370 2HD ARG 44 2HD ARG 44 -9.529 23.673 12.883 371 HE ARG 44 HE ARG 44 -7.545 25.792 12.997 372 1HH1 ARG 44 1HH1 ARG 44 -8.080 22.376 12.259 373 2HH1 ARG 44 2HH1 ARG 44 -6.693 22.263 11.205 374 1HH2 ARG 44 1HH2 ARG 44 -5.813 25.669 11.504 375 2HH2 ARG 44 2HH2 ARG 44 -5.402 24.149 10.768 376 H ARG 45 H ARG 45 -10.728 24.806 17.417 377 HA ARG 45 HA ARG 45 -12.021 27.355 18.176 378 1HB ARG 45 1HB ARG 45 -11.947 26.569 20.484 379 2HB ARG 45 2HB ARG 45 -12.870 25.468 19.447 380 1HG ARG 45 1HG ARG 45 -11.038 23.884 19.337 381 2HG ARG 45 2HG ARG 45 -10.004 24.990 20.266 382 1HD ARG 45 1HD ARG 45 -10.717 23.421 21.842 383 2HD ARG 45 2HD ARG 45 -11.727 24.858 22.115 384 HE ARG 45 HE ARG 45 -12.815 22.692 20.371 385 1HH1 ARG 45 1HH1 ARG 45 -12.479 23.868 23.688 386 2HH1 ARG 45 2HH1 ARG 45 -13.976 23.192 24.242 387 1HH2 ARG 45 1HH2 ARG 45 -14.688 21.585 21.150 388 2HH2 ARG 45 2HH2 ARG 45 -15.235 21.832 22.785 389 H PHE 46 H PHE 46 -10.798 28.590 19.858 390 HA PHE 46 HA PHE 46 -8.295 29.410 18.910 391 1HB PHE 46 1HB PHE 46 -8.184 30.680 21.047 392 2HB PHE 46 2HB PHE 46 -9.594 30.954 20.037 393 HD1 PHE 46 HD1 PHE 46 -8.405 29.611 23.274 394 HD2 PHE 46 HD2 PHE 46 -11.846 30.304 20.758 395 HE1 PHE 46 HE1 PHE 46 -9.903 29.211 25.202 396 HE2 PHE 46 HE2 PHE 46 -13.329 29.908 22.686 397 HZ PHE 46 HZ PHE 46 -12.363 29.356 24.921 398 H THR 47 H THR 47 -8.950 27.597 21.889 399 HA THR 47 HA THR 47 -6.218 27.220 22.539 400 HB THR 47 HB THR 47 -8.054 26.958 24.154 401 HG1 THR 47 HG1 THR 47 -6.008 25.092 23.797 402 1HG2 THR 47 1HG2 THR 47 -9.600 25.590 22.786 403 2HG2 THR 47 2HG2 THR 47 -8.461 24.222 22.863 404 3HG2 THR 47 3HG2 THR 47 -9.227 24.826 24.344 405 H GLU 48 H GLU 48 -8.034 25.639 20.025 406 HA GLU 48 HA GLU 48 -6.281 23.304 19.935 407 1HB GLU 48 1HB GLU 48 -8.603 24.333 18.229 408 2HB GLU 48 2HB GLU 48 -7.492 23.174 17.658 409 1HG GLU 48 1HG GLU 48 -8.934 22.850 20.324 410 2HG GLU 48 2HG GLU 48 -9.599 22.230 18.797 411 H ILE 49 H ILE 49 -6.831 26.376 18.131 412 HA ILE 49 HA ILE 49 -4.644 25.904 16.306 413 HB ILE 49 HB ILE 49 -5.927 28.489 17.288 414 1HG1 ILE 49 1HG1 ILE 49 -6.101 28.751 14.766 415 2HG1 ILE 49 2HG1 ILE 49 -5.487 27.115 14.572 416 1HG2 ILE 49 1HG2 ILE 49 -3.346 28.269 15.739 417 2HG2 ILE 49 2HG2 ILE 49 -4.376 29.716 15.731 418 3HG2 ILE 49 3HG2 ILE 49 -3.649 29.169 17.229 419 1HD1 ILE 49 1HD1 ILE 49 -7.594 26.266 15.744 420 2HD1 ILE 49 2HD1 ILE 49 -8.092 27.927 15.952 421 3HD1 ILE 49 3HD1 ILE 49 -7.897 27.266 14.327 422 H TYR 50 H TYR 50 -4.779 27.344 19.569 423 HA TYR 50 HA TYR 50 -1.973 27.905 19.717 424 1HB TYR 50 1HB TYR 50 -3.849 27.151 22.009 425 2HB TYR 50 2HB TYR 50 -2.383 28.049 22.147 426 HD1 TYR 50 HD1 TYR 50 -5.126 29.071 23.256 427 HD2 TYR 50 HD2 TYR 50 -3.326 29.853 19.361 428 HE1 TYR 50 HE1 TYR 50 -6.384 31.121 23.045 429 HE2 TYR 50 HE2 TYR 50 -4.602 31.870 19.210 430 HH TYR 50 HH TYR 50 -6.053 33.344 20.273 431 H GLU 51 H GLU 51 -3.782 25.102 21.039 432 HA GLU 51 HA GLU 51 -1.453 23.770 21.987 433 1HB GLU 51 1HB GLU 51 -4.149 22.675 21.196 434 2HB GLU 51 2HB GLU 51 -2.838 21.694 21.836 435 1HG GLU 51 1HG GLU 51 -4.774 23.150 23.331 436 2HG GLU 51 2HG GLU 51 -3.479 22.121 23.902 437 H PHE 52 H PHE 52 -2.900 23.786 18.777 438 HA PHE 52 HA PHE 52 -1.233 21.749 17.619 439 1HB PHE 52 1HB PHE 52 -3.074 22.627 16.323 440 2HB PHE 52 2HB PHE 52 -2.525 24.247 16.420 441 HD1 PHE 52 HD1 PHE 52 -2.052 21.038 14.740 442 HD2 PHE 52 HD2 PHE 52 -0.205 24.994 14.808 443 HE1 PHE 52 HE1 PHE 52 -0.895 20.561 12.699 444 HE2 PHE 52 HE2 PHE 52 0.911 24.421 12.790 445 HZ PHE 52 HZ PHE 52 0.609 22.271 11.674 446 H HIS 53 H HIS 53 -1.007 25.276 17.385 447 HA HIS 53 HA HIS 53 1.457 25.311 16.210 448 1HB HIS 53 1HB HIS 53 -0.279 27.112 16.432 449 2HB HIS 53 2HB HIS 53 0.380 27.499 18.041 450 HD1 HIS 53 HD1 HIS 53 1.713 26.635 14.632 451 HD2 HIS 53 HD2 HIS 53 2.235 29.715 17.409 452 HE1 HIS 53 HE1 HIS 53 3.303 28.120 13.616 453 H LYS 54 H LYS 54 0.654 25.376 19.518 454 HA LYS 54 HA LYS 54 3.281 25.694 20.654 455 1HB LYS 54 1HB LYS 54 0.822 24.235 21.625 456 2HB LYS 54 2HB LYS 54 2.305 24.260 22.576 457 1HG LYS 54 1HG LYS 54 2.195 26.569 23.012 458 2HG LYS 54 2HG LYS 54 0.990 26.865 21.738 459 1HD LYS 54 1HD LYS 54 -0.663 25.532 22.905 460 2HD LYS 54 2HD LYS 54 0.499 25.037 24.140 461 1HE LYS 54 1HE LYS 54 0.521 27.285 25.054 462 2HE LYS 54 2HE LYS 54 -0.456 27.901 23.702 463 1HZ LYS 54 1HZ LYS 54 -1.759 27.382 25.729 464 2HZ LYS 54 2HZ LYS 54 -2.266 26.523 24.407 465 3HZ LYS 54 3HZ LYS 54 -1.378 25.779 25.518 466 H THR 55 H THR 55 1.515 22.827 19.568 467 HA THR 55 HA THR 55 3.657 20.983 20.354 468 HB THR 55 HB THR 55 1.305 20.573 18.478 469 HG1 THR 55 HG1 THR 55 0.658 21.021 20.590 470 1HG2 THR 55 1HG2 THR 55 3.170 18.567 19.746 471 2HG2 THR 55 2HG2 THR 55 1.615 18.175 18.959 472 3HG2 THR 55 3HG2 THR 55 2.916 18.898 18.014 473 H LEU 56 H LEU 56 2.850 22.615 17.348 474 HA LEU 56 HA LEU 56 4.846 21.280 15.876 475 1HB LEU 56 1HB LEU 56 3.021 23.033 15.018 476 2HB LEU 56 2HB LEU 56 4.116 24.248 15.586 477 HG LEU 56 HG LEU 56 4.151 24.098 13.293 478 1HD1 LEU 56 1HD1 LEU 56 6.196 24.686 14.770 479 2HD1 LEU 56 2HD1 LEU 56 6.841 23.133 14.166 480 3HD1 LEU 56 3HD1 LEU 56 6.384 24.413 13.041 481 1HD2 LEU 56 1HD2 LEU 56 5.816 22.074 12.409 482 2HD2 LEU 56 2HD2 LEU 56 4.864 21.189 13.603 483 3HD2 LEU 56 3HD2 LEU 56 4.065 22.004 12.256 484 H LYS 57 H LYS 57 4.987 24.261 17.815 485 HA LYS 57 HA LYS 57 7.783 24.553 17.352 486 1HB LYS 57 1HB LYS 57 5.965 25.559 19.621 487 2HB LYS 57 2HB LYS 57 7.629 26.097 19.374 488 1HG LYS 57 1HG LYS 57 6.768 26.743 16.939 489 2HG LYS 57 2HG LYS 57 5.179 26.685 17.661 490 1HD LYS 57 1HD LYS 57 5.700 28.399 19.266 491 2HD LYS 57 2HD LYS 57 7.421 28.338 18.875 492 1HE LYS 57 1HE LYS 57 6.785 29.012 16.473 493 2HE LYS 57 2HE LYS 57 5.171 29.356 17.112 494 1HZ LYS 57 1HZ LYS 57 6.469 31.310 17.063 495 2HZ LYS 57 2HZ LYS 57 6.243 30.912 18.646 496 3HZ LYS 57 3HZ LYS 57 7.702 30.647 17.910 497 H GLU 58 H GLU 58 6.110 22.548 19.596 498 HA GLU 58 HA GLU 58 8.389 22.265 21.340 499 1HB GLU 58 1HB GLU 58 5.752 20.657 21.069 500 2HB GLU 58 2HB GLU 58 6.958 20.166 22.178 501 1HG GLU 58 1HG GLU 58 6.164 23.171 22.331 502 2HG GLU 58 2HG GLU 58 5.063 22.018 23.032 503 H MET 59 H MET 59 6.726 20.119 18.926 504 HA MET 59 HA MET 59 8.753 18.143 19.037 505 1HB MET 59 1HB MET 59 6.992 18.885 16.740 506 2HB MET 59 2HB MET 59 7.758 17.338 16.954 507 1HG MET 59 1HG MET 59 6.270 16.821 18.878 508 2HG MET 59 2HG MET 59 5.460 18.365 18.684 509 1HE MET 59 1HE MET 59 3.818 17.865 15.081 510 2HE MET 59 2HE MET 59 4.239 19.082 16.306 511 3HE MET 59 3HE MET 59 5.494 18.344 15.314 512 H PHE 60 H PHE 60 8.198 20.853 16.710 513 HA PHE 60 HA PHE 60 10.800 20.376 15.488 514 1HB PHE 60 1HB PHE 60 8.676 22.340 14.835 515 2HB PHE 60 2HB PHE 60 10.144 22.051 14.028 516 HD1 PHE 60 HD1 PHE 60 6.619 20.426 14.591 517 HD2 PHE 60 HD2 PHE 60 10.423 19.894 12.490 518 HE1 PHE 60 HE1 PHE 60 5.696 18.733 13.192 519 HE2 PHE 60 HE2 PHE 60 9.414 18.204 11.163 520 HZ PHE 60 HZ PHE 60 7.032 17.589 11.476 521 HA PRO 61 HA PRO 61 11.402 24.124 18.385 522 1HB PRO 61 1HB PRO 61 13.966 23.911 19.212 523 2HB PRO 61 2HB PRO 61 12.652 22.924 19.919 524 1HG PRO 61 1HG PRO 61 14.628 22.118 17.787 525 2HG PRO 61 2HG PRO 61 14.137 21.195 19.237 526 1HD PRO 61 1HD PRO 61 13.141 20.840 16.744 527 2HD PRO 61 2HD PRO 61 12.136 20.508 18.221 528 H ILE 62 H ILE 62 13.113 22.932 15.632 529 HA ILE 62 HA ILE 62 14.579 25.288 14.919 530 HB ILE 62 HB ILE 62 13.460 23.105 13.191 531 1HG1 ILE 62 1HG1 ILE 62 14.823 21.952 14.851 532 2HG1 ILE 62 2HG1 ILE 62 15.683 21.968 13.314 533 1HG2 ILE 62 1HG2 ILE 62 14.058 24.946 11.891 534 2HG2 ILE 62 2HG2 ILE 62 15.687 24.939 12.627 535 3HG2 ILE 62 3HG2 ILE 62 15.135 23.582 11.597 536 1HD1 ILE 62 1HD1 ILE 62 17.208 22.444 15.159 537 2HD1 ILE 62 2HD1 ILE 62 17.078 23.878 14.128 538 3HD1 ILE 62 3HD1 ILE 62 16.222 23.815 15.688 539 H GLU 63 H GLU 63 11.358 23.905 14.086 540 HA GLU 63 HA GLU 63 10.800 26.059 12.319 541 1HB GLU 63 1HB GLU 63 9.750 23.802 12.271 542 2HB GLU 63 2HB GLU 63 8.688 24.341 13.582 543 1HG GLU 63 1HG GLU 63 7.723 26.053 12.172 544 2HG GLU 63 2HG GLU 63 9.008 25.915 10.987 545 H ALA 64 H ALA 64 11.293 26.066 15.617 546 HA ALA 64 HA ALA 64 9.825 28.546 15.972 547 1HB ALA 64 1HB ALA 64 10.414 26.378 18.070 548 2HB ALA 64 2HB ALA 64 9.475 27.853 18.353 549 3HB ALA 64 3HB ALA 64 8.844 26.568 17.284 550 H GLY 65 H GLY 65 12.549 28.009 15.024 551 1HA GLY 65 1HA GLY 65 13.768 29.848 16.876 552 2HA GLY 65 2HA GLY 65 14.516 28.206 16.856 553 H ALA 66 H ALA 66 14.461 27.520 14.193 554 HA ALA 66 HA ALA 66 16.233 29.578 13.111 555 1HB ALA 66 1HB ALA 66 15.654 26.919 11.815 556 2HB ALA 66 2HB ALA 66 17.065 27.954 11.583 557 3HB ALA 66 3HB ALA 66 16.884 27.063 13.110 558 H ILE 67 H ILE 67 13.039 28.627 13.026 559 HA ILE 67 HA ILE 67 12.672 30.219 10.491 560 HB ILE 67 HB ILE 67 10.951 27.958 11.520 561 1HG1 ILE 67 1HG1 ILE 67 13.221 28.005 9.469 562 2HG1 ILE 67 2HG1 ILE 67 13.130 27.025 10.939 563 1HG2 ILE 67 1HG2 ILE 67 10.998 29.377 8.824 564 2HG2 ILE 67 2HG2 ILE 67 10.003 27.949 9.203 565 3HG2 ILE 67 3HG2 ILE 67 9.690 29.450 10.030 566 1HD1 ILE 67 1HD1 ILE 67 11.598 26.600 8.396 567 2HD1 ILE 67 2HD1 ILE 67 12.807 25.562 9.155 568 3HD1 ILE 67 3HD1 ILE 67 11.231 25.764 9.939 569 H ASN 68 H ASN 68 12.629 30.637 13.583 570 HA ASN 68 HA ASN 68 10.079 32.148 13.659 571 1HB ASN 68 1HB ASN 68 11.798 30.999 15.737 572 2HB ASN 68 2HB ASN 68 11.332 32.662 16.088 573 1HD2 ASN 68 1HD2 ASN 68 9.318 30.365 14.233 574 2HD2 ASN 68 2HD2 ASN 68 8.000 30.355 15.376 575 HA PRO 69 HA PRO 69 12.480 35.955 13.980 576 1HB PRO 69 1HB PRO 69 15.225 36.166 14.105 577 2HB PRO 69 2HB PRO 69 14.268 35.644 15.526 578 1HG PRO 69 1HG PRO 69 15.764 33.901 13.557 579 2HG PRO 69 2HG PRO 69 15.718 33.776 15.332 580 1HD PRO 69 1HD PRO 69 14.099 32.298 13.587 581 2HD PRO 69 2HD PRO 69 13.656 32.674 15.289 582 H GLU 70 H GLU 70 14.588 34.103 11.895 583 HA GLU 70 HA GLU 70 14.780 36.346 10.081 584 1HB GLU 70 1HB GLU 70 15.845 34.465 8.492 585 2HB GLU 70 2HB GLU 70 16.599 34.463 10.055 586 1HG GLU 70 1HG GLU 70 15.104 32.486 10.771 587 2HG GLU 70 2HG GLU 70 14.369 32.478 9.189 588 H ASN 71 H ASN 71 12.661 33.672 10.385 589 HA ASN 71 HA ASN 71 11.023 34.707 8.094 590 1HB ASN 71 1HB ASN 71 12.119 32.148 8.204 591 2HB ASN 71 2HB ASN 71 10.820 31.908 9.313 592 1HD2 ASN 71 1HD2 ASN 71 9.202 30.851 8.358 593 2HD2 ASN 71 2HD2 ASN 71 8.590 31.176 6.742 594 H ARG 72 H ARG 72 10.980 35.975 10.480 595 HA ARG 72 HA ARG 72 8.725 35.185 12.142 596 1HB ARG 72 1HB ARG 72 10.653 36.800 12.711 597 2HB ARG 72 2HB ARG 72 9.773 38.017 11.784 598 1HG ARG 72 1HG ARG 72 7.797 37.586 13.339 599 2HG ARG 72 2HG ARG 72 8.853 36.515 14.274 600 1HD ARG 72 1HD ARG 72 9.270 39.505 13.763 601 2HD ARG 72 2HD ARG 72 8.721 38.762 15.256 602 HE ARG 72 HE ARG 72 10.824 37.961 15.763 603 1HH1 ARG 72 1HH1 ARG 72 10.944 39.587 12.600 604 2HH1 ARG 72 2HH1 ARG 72 12.681 39.642 12.559 605 1HH2 ARG 72 1HH2 ARG 72 13.103 38.134 15.731 606 2HH2 ARG 72 2HH2 ARG 72 13.909 38.853 14.366 607 H ILE 73 H ILE 73 7.473 34.597 10.086 608 HA ILE 73 HA ILE 73 5.410 36.667 9.686 609 HB ILE 73 HB ILE 73 6.365 34.844 7.427 610 1HG1 ILE 73 1HG1 ILE 73 6.902 37.178 6.342 611 2HG1 ILE 73 2HG1 ILE 73 7.107 37.739 8.000 612 1HG2 ILE 73 1HG2 ILE 73 4.503 37.264 7.455 613 2HG2 ILE 73 2HG2 ILE 73 4.870 36.229 6.061 614 3HG2 ILE 73 3HG2 ILE 73 3.940 35.589 7.408 615 1HD1 ILE 73 1HD1 ILE 73 8.971 36.181 8.282 616 2HD1 ILE 73 2HD1 ILE 73 8.587 35.361 6.754 617 3HD1 ILE 73 3HD1 ILE 73 9.200 37.025 6.760 618 H ILE 74 H ILE 74 5.437 35.028 11.721 619 HA ILE 74 HA ILE 74 3.556 32.803 11.083 620 HB ILE 74 HB ILE 74 5.697 32.884 13.223 621 1HG1 ILE 74 1HG1 ILE 74 5.654 30.912 10.925 622 2HG1 ILE 74 2HG1 ILE 74 6.526 32.440 10.798 623 1HG2 ILE 74 1HG2 ILE 74 3.594 31.635 13.853 624 2HG2 ILE 74 2HG2 ILE 74 3.752 30.661 12.379 625 3HG2 ILE 74 3HG2 ILE 74 4.952 30.529 13.670 626 1HD1 ILE 74 1HD1 ILE 74 7.994 30.603 11.482 627 2HD1 ILE 74 2HD1 ILE 74 7.956 31.915 12.670 628 3HD1 ILE 74 3HD1 ILE 74 7.097 30.394 12.983 629 HA PRO 75 HA PRO 75 1.134 35.473 13.657 630 1HB PRO 75 1HB PRO 75 -0.937 33.907 14.504 631 2HB PRO 75 2HB PRO 75 -0.731 34.504 12.838 632 1HG PRO 75 1HG PRO 75 0.159 31.811 13.921 633 2HG PRO 75 2HG PRO 75 -0.855 32.164 12.492 634 1HD PRO 75 1HD PRO 75 1.788 31.763 12.195 635 2HD PRO 75 2HD PRO 75 0.978 33.091 11.310 636 H HIS 76 H HIS 76 2.665 35.843 15.469 637 HA HIS 76 HA HIS 76 2.664 33.955 17.764 638 1HB HIS 76 1HB HIS 76 4.369 36.355 16.975 639 2HB HIS 76 2HB HIS 76 4.586 35.437 18.468 640 HD1 HIS 76 HD1 HIS 76 6.914 35.589 16.510 641 HD2 HIS 76 HD2 HIS 76 4.062 32.517 16.498 642 HE1 HIS 76 HE1 HIS 76 7.986 33.569 15.414 643 H LEU 77 H LEU 77 3.129 35.593 19.817 644 HA LEU 77 HA LEU 77 2.440 37.115 21.269 645 1HB LEU 77 1HB LEU 77 0.104 37.912 19.490 646 2HB LEU 77 2HB LEU 77 0.632 38.716 20.942 647 HG LEU 77 HG LEU 77 2.283 38.543 18.383 648 1HD1 LEU 77 1HD1 LEU 77 0.786 40.857 19.675 649 2HD1 LEU 77 2HD1 LEU 77 1.786 40.934 18.207 650 3HD1 LEU 77 3HD1 LEU 77 0.290 39.983 18.208 651 1HD2 LEU 77 1HD2 LEU 77 2.817 39.964 21.030 652 2HD2 LEU 77 2HD2 LEU 77 3.788 38.657 20.310 653 3HD2 LEU 77 3HD2 LEU 77 3.718 40.237 19.525 654 HA PRO 78 HA PRO 78 -0.316 34.414 23.421 655 1HB PRO 78 1HB PRO 78 -0.816 35.774 25.736 656 2HB PRO 78 2HB PRO 78 0.818 35.195 25.309 657 1HG PRO 78 1HG PRO 78 -0.329 37.961 24.819 658 2HG PRO 78 2HG PRO 78 1.196 37.550 25.661 659 1HD PRO 78 1HD PRO 78 1.178 38.218 23.042 660 2HD PRO 78 2HD PRO 78 2.239 36.906 23.627 661 H ALA 79 H ALA 79 -2.560 34.616 24.742 662 HA ALA 79 HA ALA 79 -4.489 35.759 22.852 663 1HB ALA 79 1HB ALA 79 -4.835 33.949 25.264 664 2HB ALA 79 2HB ALA 79 -6.086 34.401 24.082 665 3HB ALA 79 3HB ALA 79 -4.686 33.437 23.569 666 HA PRO 80 HA PRO 80 -4.920 39.023 26.085 667 1HB PRO 80 1HB PRO 80 -5.796 41.072 24.590 668 2HB PRO 80 2HB PRO 80 -4.129 40.461 24.396 669 1HG PRO 80 1HG PRO 80 -6.541 39.781 22.703 670 2HG PRO 80 2HG PRO 80 -4.924 40.292 22.143 671 1HD PRO 80 1HD PRO 80 -5.781 37.642 22.401 672 2HD PRO 80 2HD PRO 80 -4.063 38.154 22.487 673 H LYS 81 H LYS 81 -6.537 37.233 26.665 674 HA LYS 81 HA LYS 81 -9.308 38.236 26.380 675 1HB LYS 81 1HB LYS 81 -10.134 35.937 26.358 676 2HB LYS 81 2HB LYS 81 -9.096 36.308 24.994 677 1HG LYS 81 1HG LYS 81 -8.528 34.131 25.623 678 2HG LYS 81 2HG LYS 81 -7.183 35.158 26.099 679 1HD LYS 81 1HD LYS 81 -7.563 33.460 27.757 680 2HD LYS 81 2HD LYS 81 -7.923 35.021 28.478 681 1HE LYS 81 1HE LYS 81 -10.388 34.575 28.101 682 2HE LYS 81 2HE LYS 81 -9.965 33.009 27.389 683 1HZ LYS 81 1HZ LYS 81 -9.399 33.861 30.146 684 2HZ LYS 81 2HZ LYS 81 -10.602 32.841 29.678 685 3HZ LYS 81 3HZ LYS 81 -9.029 32.387 29.505 686 H TRP 82 H TRP 82 -6.957 38.385 28.370 687 HA TRP 82 HA TRP 82 -8.098 37.253 30.823 688 1HB TRP 82 1HB TRP 82 -5.598 38.858 30.186 689 2HB TRP 82 2HB TRP 82 -6.042 38.280 31.791 690 HD1 TRP 82 HD1 TRP 82 -4.735 36.952 28.410 691 HE1 TRP 82 HE1 TRP 82 -3.851 34.579 28.733 692 HE3 TRP 82 HE3 TRP 82 -6.286 36.117 33.240 693 HZ2 TRP 82 HZ2 TRP 82 -3.801 32.578 30.771 694 HZ3 TRP 82 HZ3 TRP 82 -5.791 33.953 34.333 695 HH2 TRP 82 HH2 TRP 82 -4.549 32.181 33.114 696 H PHE 83 H PHE 83 -10.094 38.431 30.478 697 HA PHE 83 HA PHE 83 -11.609 39.959 31.080 698 1HB PHE 83 1HB PHE 83 -10.211 39.976 33.210 699 2HB PHE 83 2HB PHE 83 -9.475 41.465 32.627 700 HD1 PHE 83 HD1 PHE 83 -10.546 43.547 33.100 701 HD2 PHE 83 HD2 PHE 83 -12.795 39.879 33.411 702 HE1 PHE 83 HE1 PHE 83 -12.447 44.792 34.085 703 HE2 PHE 83 HE2 PHE 83 -14.695 41.132 34.397 704 HZ PHE 83 HZ PHE 83 -14.525 43.590 34.735 705 H ASP 84 H ASP 84 -10.362 40.131 28.655 706 HA ASP 84 HA ASP 84 -10.021 43.019 27.969 707 1HB ASP 84 1HB ASP 84 -8.415 41.048 27.172 708 2HB ASP 84 2HB ASP 84 -9.739 40.519 26.187 709 H GLY 85 H GLY 85 -11.126 42.066 25.219 710 1HA GLY 85 1HA GLY 85 -13.915 41.717 25.487 711 2HA GLY 85 2HA GLY 85 -13.571 43.446 25.492 712 H GLN 86 H GLN 86 -13.599 44.353 23.390 713 HA GLN 86 HA GLN 86 -13.955 42.744 21.071 714 1HB GLN 86 1HB GLN 86 -13.114 45.667 21.317 715 2HB GLN 86 2HB GLN 86 -13.697 44.880 19.841 716 1HG GLN 86 1HG GLN 86 -15.853 44.351 21.013 717 2HG GLN 86 2HG GLN 86 -15.312 45.326 22.390 718 1HE2 GLN 86 1HE2 GLN 86 -14.223 47.584 21.378 719 2HE2 GLN 86 2HE2 GLN 86 -15.374 48.425 20.359 720 H ARG 87 H ARG 87 -11.095 43.589 22.743 721 HA ARG 87 HA ARG 87 -9.451 43.056 20.339 722 1HB ARG 87 1HB ARG 87 -9.010 44.266 23.125 723 2HB ARG 87 2HB ARG 87 -7.631 43.414 22.473 724 1HG ARG 87 1HG ARG 87 -9.169 45.570 20.960 725 2HG ARG 87 2HG ARG 87 -7.799 45.929 22.016 726 1HD ARG 87 1HD ARG 87 -6.239 44.762 20.694 727 2HD ARG 87 2HD ARG 87 -7.459 43.904 19.765 728 HE ARG 87 HE ARG 87 -6.378 46.520 19.230 729 1HH1 ARG 87 1HH1 ARG 87 -9.394 44.663 18.997 730 2HH1 ARG 87 2HH1 ARG 87 -9.849 45.346 17.460 731 1HH2 ARG 87 1HH2 ARG 87 -7.084 47.524 17.240 732 2HH2 ARG 87 2HH2 ARG 87 -8.597 47.022 16.525 733 H ALA 88 H ALA 88 -11.011 41.265 22.584 734 HA ALA 88 HA ALA 88 -9.080 39.065 22.636 735 1HB ALA 88 1HB ALA 88 -10.689 37.889 23.961 736 2HB ALA 88 2HB ALA 88 -10.646 39.550 24.574 737 3HB ALA 88 3HB ALA 88 -11.981 39.020 23.547 738 H ALA 89 H ALA 89 -12.052 40.177 21.272 739 HA ALA 89 HA ALA 89 -12.784 37.895 19.676 740 1HB ALA 89 1HB ALA 89 -14.377 39.444 18.601 741 2HB ALA 89 2HB ALA 89 -14.437 39.573 20.368 742 3HB ALA 89 3HB ALA 89 -13.608 40.819 19.416 743 H GLU 90 H GLU 90 -11.516 41.080 18.776 744 HA GLU 90 HA GLU 90 -10.722 40.242 16.114 745 1HB GLU 90 1HB GLU 90 -9.974 42.679 17.785 746 2HB GLU 90 2HB GLU 90 -9.605 42.500 16.064 747 1HG GLU 90 1HG GLU 90 -11.938 42.488 15.457 748 2HG GLU 90 2HG GLU 90 -12.457 42.391 17.145 749 H ASN 91 H ASN 91 -9.252 39.341 18.992 750 HA ASN 91 HA ASN 91 -6.540 39.327 17.741 751 1HB ASN 91 1HB ASN 91 -6.523 39.523 20.281 752 2HB ASN 91 2HB ASN 91 -7.598 38.145 20.443 753 1HD2 ASN 91 1HD2 ASN 91 -4.333 39.146 19.299 754 2HD2 ASN 91 2HD2 ASN 91 -3.616 37.559 19.500 755 H ARG 92 H ARG 92 -8.840 36.844 19.112 756 HA ARG 92 HA ARG 92 -7.647 34.786 17.579 757 1HB ARG 92 1HB ARG 92 -9.566 33.416 18.222 758 2HB ARG 92 2HB ARG 92 -9.132 34.441 19.605 759 1HG ARG 92 1HG ARG 92 -10.888 36.077 18.868 760 2HG ARG 92 2HG ARG 92 -11.339 34.951 17.574 761 1HD ARG 92 1HD ARG 92 -12.020 33.300 19.263 762 2HD ARG 92 2HD ARG 92 -11.668 34.502 20.537 763 HE ARG 92 HE ARG 92 -13.267 35.779 18.593 764 1HH1 ARG 92 1HH1 ARG 92 -13.711 33.141 20.918 765 2HH1 ARG 92 2HH1 ARG 92 -15.437 33.353 21.011 766 1HH2 ARG 92 1HH2 ARG 92 -15.434 36.076 18.705 767 2HH2 ARG 92 2HH2 ARG 92 -16.454 35.106 19.746 768 H GLN 93 H GLN 93 -10.115 37.074 16.675 769 HA GLN 93 HA GLN 93 -10.760 35.601 14.218 770 1HB GLN 93 1HB GLN 93 -11.602 38.322 15.197 771 2HB GLN 93 2HB GLN 93 -12.090 37.649 13.642 772 1HG GLN 93 1HG GLN 93 -13.511 36.119 14.504 773 2HG GLN 93 2HG GLN 93 -12.499 35.760 15.890 774 1HE2 GLN 93 1HE2 GLN 93 -13.977 38.881 14.847 775 2HE2 GLN 93 2HE2 GLN 93 -14.883 39.118 16.326 776 H GLY 94 H GLY 94 -8.069 37.484 15.067 777 1HA GLY 94 1HA GLY 94 -7.511 38.201 12.193 778 2HA GLY 94 2HA GLY 94 -6.737 38.909 13.610 779 H THR 95 H THR 95 -6.218 36.711 15.140 780 HA THR 95 HA THR 95 -3.838 35.603 14.093 781 HB THR 95 HB THR 95 -5.654 34.832 16.454 782 HG1 THR 95 HG1 THR 95 -3.170 36.195 16.351 783 1HG2 THR 95 1HG2 THR 95 -2.846 33.726 15.951 784 2HG2 THR 95 2HG2 THR 95 -3.752 33.580 17.459 785 3HG2 THR 95 3HG2 THR 95 -4.354 32.794 16.006 786 H LEU 96 H LEU 96 -7.141 34.250 14.341 787 HA LEU 96 HA LEU 96 -6.181 31.792 13.192 788 1HB LEU 96 1HB LEU 96 -8.384 31.869 14.376 789 2HB LEU 96 2HB LEU 96 -9.011 32.896 13.081 790 HG LEU 96 HG LEU 96 -8.350 30.925 11.399 791 1HD1 LEU 96 1HD1 LEU 96 -8.142 29.630 14.130 792 2HD1 LEU 96 2HD1 LEU 96 -8.494 28.707 12.651 793 3HD1 LEU 96 3HD1 LEU 96 -6.949 29.552 12.812 794 1HD2 LEU 96 1HD2 LEU 96 -10.478 30.873 13.429 795 2HD2 LEU 96 2HD2 LEU 96 -10.482 31.439 11.736 796 3HD2 LEU 96 3HD2 LEU 96 -10.366 29.698 12.102 797 H THR 97 H THR 97 -7.914 34.573 11.944 798 HA THR 97 HA THR 97 -8.064 33.926 9.194 799 HB THR 97 HB THR 97 -7.984 36.540 10.749 800 HG1 THR 97 HG1 THR 97 -9.802 35.431 8.877 801 1HG2 THR 97 1HG2 THR 97 -6.680 37.231 8.934 802 2HG2 THR 97 2HG2 THR 97 -7.829 36.516 7.764 803 3HG2 THR 97 3HG2 THR 97 -8.316 37.881 8.809 804 H GLU 98 H GLU 98 -5.291 35.082 10.977 805 HA GLU 98 HA GLU 98 -3.746 35.192 8.469 806 1HB GLU 98 1HB GLU 98 -3.517 36.952 10.356 807 2HB GLU 98 2HB GLU 98 -2.829 35.661 11.361 808 1HG GLU 98 1HG GLU 98 -1.035 35.369 9.630 809 2HG GLU 98 2HG GLU 98 -1.740 36.729 8.729 810 H TYR 99 H TYR 99 -4.069 33.144 11.343 811 HA TYR 99 HA TYR 99 -1.841 31.714 10.505 812 1HB TYR 99 1HB TYR 99 -3.180 31.197 12.805 813 2HB TYR 99 2HB TYR 99 -4.007 30.033 11.830 814 HD1 TYR 99 HD1 TYR 99 -0.380 30.353 10.740 815 HD2 TYR 99 HD2 TYR 99 -3.002 28.361 13.590 816 HE1 TYR 99 HE1 TYR 99 1.356 28.730 11.227 817 HE2 TYR 99 HE2 TYR 99 -1.156 26.740 14.023 818 HH TYR 99 HH TYR 99 1.902 26.853 12.192 819 H CYS 100 H CYS 100 -5.217 31.440 9.544 820 HA CYS 100 HA CYS 100 -4.960 28.950 8.164 821 1HB CYS 100 1HB CYS 100 -7.199 30.059 8.573 822 2HB CYS 100 2HB CYS 100 -6.735 31.378 7.475 823 HG CYS 100 HG CYS 100 -8.443 29.850 6.296 824 H SER 101 H SER 101 -4.553 32.303 7.018 825 HA SER 101 HA SER 101 -3.654 31.507 4.415 826 1HB SER 101 1HB SER 101 -3.050 34.035 6.039 827 2HB SER 101 2HB SER 101 -2.898 33.881 4.276 828 HG SER 101 HG SER 101 -4.917 34.818 5.090 829 H THR 102 H THR 102 -1.939 31.911 7.427 830 HA THR 102 HA THR 102 0.695 31.749 6.222 831 HB THR 102 HB THR 102 -0.162 32.005 9.125 832 HG1 THR 102 HG1 THR 102 -0.770 33.777 7.966 833 1HG2 THR 102 1HG2 THR 102 2.086 33.014 9.400 834 2HG2 THR 102 2HG2 THR 102 2.070 31.253 9.214 835 3HG2 THR 102 3HG2 THR 102 2.559 32.312 7.850 836 H LEU 103 H LEU 103 -1.421 29.514 7.788 837 HA LEU 103 HA LEU 103 0.594 27.479 8.270 838 1HB LEU 103 1HB LEU 103 -2.286 27.760 8.525 839 2HB LEU 103 2HB LEU 103 -2.109 26.376 7.775 840 HG LEU 103 HG LEU 103 -0.916 26.876 10.504 841 1HD1 LEU 103 1HD1 LEU 103 -3.574 26.866 10.043 842 2HD1 LEU 103 2HD1 LEU 103 -3.265 25.171 10.407 843 3HD1 LEU 103 3HD1 LEU 103 -2.751 26.449 11.520 844 1HD2 LEU 103 1HD2 LEU 103 -0.803 24.521 10.872 845 2HD2 LEU 103 2HD2 LEU 103 -1.714 24.150 9.443 846 3HD2 LEU 103 3HD2 LEU 103 -0.040 24.692 9.294 847 H MET 104 H MET 104 -1.329 28.589 5.517 848 HA MET 104 HA MET 104 -0.171 26.501 3.753 849 1HB MET 104 1HB MET 104 -2.700 27.731 3.755 850 2HB MET 104 2HB MET 104 -1.797 28.790 2.682 851 1HG MET 104 1HG MET 104 -2.482 27.279 1.122 852 2HG MET 104 2HG MET 104 -1.029 26.422 1.618 853 1HE MET 104 1HE MET 104 -2.507 25.659 4.690 854 2HE MET 104 2HE MET 104 -3.012 24.007 4.323 855 3HE MET 104 3HE MET 104 -1.368 24.532 3.909 856 H SER 105 H SER 105 0.768 29.477 4.855 857 HA SER 105 HA SER 105 2.189 30.113 2.339 858 1HB SER 105 1HB SER 105 1.135 32.038 4.030 859 2HB SER 105 2HB SER 105 2.563 31.618 4.983 860 HG SER 105 HG SER 105 2.931 33.326 3.545 861 H LEU 106 H LEU 106 2.861 29.077 5.726 862 HA LEU 106 HA LEU 106 5.264 29.262 5.945 863 1HB LEU 106 1HB LEU 106 3.546 26.935 6.643 864 2HB LEU 106 2HB LEU 106 5.230 27.028 7.106 865 HG LEU 106 HG LEU 106 2.882 28.351 8.275 866 1HD1 LEU 106 1HD1 LEU 106 4.115 28.067 10.279 867 2HD1 LEU 106 2HD1 LEU 106 4.132 26.576 9.307 868 3HD1 LEU 106 3HD1 LEU 106 5.578 27.622 9.359 869 1HD2 LEU 106 1HD2 LEU 106 5.505 29.911 8.219 870 2HD2 LEU 106 2HD2 LEU 106 3.971 30.442 7.486 871 3HD2 LEU 106 3HD2 LEU 106 4.095 30.243 9.233 872 HA PRO 107 HA PRO 107 7.363 27.209 2.713 873 1HB PRO 107 1HB PRO 107 9.958 27.629 3.284 874 2HB PRO 107 2HB PRO 107 8.856 28.970 2.818 875 1HG PRO 107 1HG PRO 107 9.753 28.150 5.605 876 2HG PRO 107 2HG PRO 107 9.646 29.805 4.945 877 1HD PRO 107 1HD PRO 107 7.711 28.492 6.494 878 2HD PRO 107 2HD PRO 107 7.391 29.917 5.470 879 H THR 108 H THR 108 7.286 26.240 5.838 880 HA THR 108 HA THR 108 8.949 23.787 5.555 881 HB THR 108 HB THR 108 7.620 23.571 7.885 882 HG1 THR 108 HG1 THR 108 6.868 25.415 8.705 883 1HG2 THR 108 1HG2 THR 108 9.752 25.679 7.552 884 2HG2 THR 108 2HG2 THR 108 9.316 24.867 9.064 885 3HG2 THR 108 3HG2 THR 108 10.044 23.924 7.769 886 H LYS 109 H LYS 109 7.248 24.069 3.522 887 HA LYS 109 HA LYS 109 4.810 22.722 4.301 888 1HB LYS 109 1HB LYS 109 5.177 24.169 2.056 889 2HB LYS 109 2HB LYS 109 6.060 22.818 1.399 890 1HG LYS 109 1HG LYS 109 3.268 22.295 2.421 891 2HG LYS 109 2HG LYS 109 3.456 23.262 0.951 892 1HD LYS 109 1HD LYS 109 4.737 21.494 -0.148 893 2HD LYS 109 2HD LYS 109 4.633 20.473 1.288 894 1HE LYS 109 1HE LYS 109 2.081 20.640 1.088 895 2HE LYS 109 2HE LYS 109 2.346 21.394 -0.493 896 1HZ LYS 109 1HZ LYS 109 3.539 19.394 -1.136 897 2HZ LYS 109 2HZ LYS 109 3.234 18.710 0.333 898 3HZ LYS 109 3HZ LYS 109 1.992 19.054 -0.690 899 H ILE 110 H ILE 110 7.850 21.507 3.846 900 HA ILE 110 HA ILE 110 6.816 18.743 3.534 901 HB ILE 110 HB ILE 110 9.667 19.739 3.908 902 1HG1 ILE 110 1HG1 ILE 110 8.845 20.729 1.860 903 2HG1 ILE 110 2HG1 ILE 110 9.972 19.432 1.488 904 1HG2 ILE 110 1HG2 ILE 110 8.564 17.039 3.034 905 2HG2 ILE 110 2HG2 ILE 110 10.265 17.525 2.880 906 3HG2 ILE 110 3HG2 ILE 110 9.525 17.405 4.477 907 1HD1 ILE 110 1HD1 ILE 110 8.057 17.920 0.954 908 2HD1 ILE 110 2HD1 ILE 110 6.930 19.255 1.294 909 3HD1 ILE 110 3HD1 ILE 110 8.081 19.381 -0.043 910 H SER 111 H SER 111 8.088 20.879 6.036 911 HA SER 111 HA SER 111 8.276 18.719 7.962 912 1HB SER 111 1HB SER 111 8.407 21.682 8.543 913 2HB SER 111 2HB SER 111 9.029 20.355 9.517 914 HG SER 111 HG SER 111 10.666 21.356 8.268 915 H ARG 112 H ARG 112 6.156 21.458 7.323 916 HA ARG 112 HA ARG 112 4.404 20.816 9.559 917 1HB ARG 112 1HB ARG 112 3.309 22.801 9.155 918 2HB ARG 112 2HB ARG 112 4.940 23.137 8.571 919 1HG ARG 112 1HG ARG 112 3.941 22.358 6.235 920 2HG ARG 112 2HG ARG 112 2.372 22.570 7.003 921 1HD ARG 112 1HD ARG 112 2.600 24.876 7.221 922 2HD ARG 112 2HD ARG 112 4.363 24.793 7.263 923 HE ARG 112 HE ARG 112 4.446 25.292 5.112 924 1HH1 ARG 112 1HH1 ARG 112 1.409 23.515 5.451 925 2HH1 ARG 112 2HH1 ARG 112 0.836 23.955 3.865 926 1HH2 ARG 112 1HH2 ARG 112 3.652 26.023 3.197 927 2HH2 ARG 112 2HH2 ARG 112 2.121 25.471 2.558 928 H CYS 113 H CYS 113 4.567 19.667 6.328 929 HA CYS 113 HA CYS 113 1.909 19.438 5.613 930 1HB CYS 113 1HB CYS 113 4.348 18.125 4.745 931 2HB CYS 113 2HB CYS 113 3.054 16.924 4.860 932 HG CYS 113 HG CYS 113 2.910 19.815 3.351 933 HA PRO 114 HA PRO 114 1.097 15.411 7.952 934 1HB PRO 114 1HB PRO 114 2.882 14.501 9.882 935 2HB PRO 114 2HB PRO 114 2.971 14.006 8.167 936 1HG PRO 114 1HG PRO 114 4.509 16.245 9.518 937 2HG PRO 114 2HG PRO 114 5.162 14.942 8.480 938 1HD PRO 114 1HD PRO 114 4.658 17.370 7.460 939 2HD PRO 114 2HD PRO 114 4.205 15.918 6.528 940 H HIS 115 H HIS 115 2.634 18.069 9.635 941 HA HIS 115 HA HIS 115 0.993 17.614 11.913 942 1HB HIS 115 1HB HIS 115 3.112 19.086 11.754 943 2HB HIS 115 2HB HIS 115 2.000 20.378 11.306 944 HD1 HIS 115 HD1 HIS 115 1.235 17.636 13.903 945 HD2 HIS 115 HD2 HIS 115 2.164 21.719 13.787 946 HE1 HIS 115 HE1 HIS 115 0.928 18.546 16.244 947 H LEU 116 H LEU 116 0.558 19.899 9.076 948 HA LEU 116 HA LEU 116 -1.754 20.716 9.919 949 1HB LEU 116 1HB LEU 116 -0.505 21.533 7.807 950 2HB LEU 116 2HB LEU 116 -1.342 20.264 6.913 951 HG LEU 116 HG LEU 116 -2.283 22.849 7.972 952 1HD1 LEU 116 1HD1 LEU 116 -3.688 20.897 5.980 953 2HD1 LEU 116 2HD1 LEU 116 -3.983 22.625 6.058 954 3HD1 LEU 116 3HD1 LEU 116 -2.456 22.013 5.392 955 1HD2 LEU 116 1HD2 LEU 116 -3.498 21.689 9.481 956 2HD2 LEU 116 2HD2 LEU 116 -4.449 22.567 8.331 957 3HD2 LEU 116 3HD2 LEU 116 -4.344 20.802 8.170 958 H LEU 117 H LEU 117 -1.121 17.963 7.779 959 HA LEU 117 HA LEU 117 -3.781 16.941 7.431 960 1HB LEU 117 1HB LEU 117 -1.115 15.505 7.506 961 2HB LEU 117 2HB LEU 117 -2.670 14.731 7.264 962 HG LEU 117 HG LEU 117 -2.897 16.477 5.151 963 1HD1 LEU 117 1HD1 LEU 117 -0.917 17.752 5.430 964 2HD1 LEU 117 2HD1 LEU 117 0.076 16.247 5.465 965 3HD1 LEU 117 3HD1 LEU 117 -0.812 16.719 4.008 966 1HD2 LEU 117 1HD2 LEU 117 -2.903 13.997 5.243 967 2HD2 LEU 117 2HD2 LEU 117 -2.250 14.834 3.844 968 3HD2 LEU 117 3HD2 LEU 117 -1.125 14.101 5.033 969 H ASP 118 H ASP 118 -1.551 16.471 10.146 970 HA ASP 118 HA ASP 118 -3.530 14.921 11.637 971 1HB ASP 118 1HB ASP 118 -0.925 16.420 12.293 972 2HB ASP 118 2HB ASP 118 -1.831 15.663 13.565 973 H PHE 119 H PHE 119 -3.524 18.158 10.903 974 HA PHE 119 HA PHE 119 -4.562 19.248 13.447 975 1HB PHE 119 1HB PHE 119 -3.124 20.308 11.335 976 2HB PHE 119 2HB PHE 119 -4.754 20.652 10.744 977 HD1 PHE 119 HD1 PHE 119 -2.272 22.764 11.114 978 HD2 PHE 119 HD2 PHE 119 -5.565 21.435 13.546 979 HE1 PHE 119 HE1 PHE 119 -2.217 24.776 12.440 980 HE2 PHE 119 HE2 PHE 119 -5.506 23.568 14.870 981 HZ PHE 119 HZ PHE 119 -3.764 25.254 14.261 982 H PHE 120 H PHE 120 -5.396 18.332 10.263 983 HA PHE 120 HA PHE 120 -8.314 18.795 10.506 984 1HB PHE 120 1HB PHE 120 -6.249 17.851 8.369 985 2HB PHE 120 2HB PHE 120 -7.968 18.028 8.044 986 HD1 PHE 120 HD1 PHE 120 -6.207 19.255 6.297 987 HD2 PHE 120 HD2 PHE 120 -7.590 20.763 10.051 988 HE1 PHE 120 HE1 PHE 120 -6.035 21.583 5.416 989 HE2 PHE 120 HE2 PHE 120 -7.415 23.078 9.193 990 HZ PHE 120 HZ PHE 120 -6.660 23.482 6.900 991 H LYS 121 H LYS 121 -6.285 16.001 9.578 992 HA LYS 121 HA LYS 121 -8.461 14.267 9.329 993 1HB LYS 121 1HB LYS 121 -7.073 12.496 9.049 994 2HB LYS 121 2HB LYS 121 -6.134 13.884 8.482 995 1HG LYS 121 1HG LYS 121 -5.214 13.953 10.871 996 2HG LYS 121 2HG LYS 121 -5.875 12.332 11.093 997 1HD LYS 121 1HD LYS 121 -3.810 13.181 8.995 998 2HD LYS 121 2HD LYS 121 -3.479 12.322 10.504 999 1HE LYS 121 1HE LYS 121 -4.935 10.435 9.730 1000 2HE LYS 121 2HE LYS 121 -5.114 11.256 8.163 1001 1HZ LYS 121 1HZ LYS 121 -2.547 10.430 9.344 1002 2HZ LYS 121 2HZ LYS 121 -3.355 9.607 8.166 1003 3HZ LYS 121 3HZ LYS 121 -2.756 11.099 7.859 1004 H VAL 122 H VAL 122 -6.850 15.412 12.160 1005 HA VAL 122 HA VAL 122 -8.072 13.420 13.923 1006 HB VAL 122 HB VAL 122 -6.221 15.701 14.627 1007 1HG1 VAL 122 1HG1 VAL 122 -7.027 13.169 16.130 1008 2HG1 VAL 122 2HG1 VAL 122 -5.791 14.334 16.648 1009 3HG1 VAL 122 3HG1 VAL 122 -7.487 14.830 16.566 1010 1HG2 VAL 122 1HG2 VAL 122 -5.745 12.779 13.857 1011 2HG2 VAL 122 2HG2 VAL 122 -5.125 14.218 13.042 1012 3HG2 VAL 122 3HG2 VAL 122 -4.513 13.806 14.638 1013 H ARG 123 H ARG 123 -8.179 17.043 13.643 1014 HA ARG 123 HA ARG 123 -9.645 18.426 14.968 1015 1HB ARG 123 1HB ARG 123 -11.185 16.985 12.878 1016 2HB ARG 123 2HB ARG 123 -11.848 18.369 13.785 1017 1HG ARG 123 1HG ARG 123 -9.190 18.486 12.384 1018 2HG ARG 123 2HG ARG 123 -10.676 18.779 11.518 1019 1HD ARG 123 1HD ARG 123 -10.043 20.940 12.071 1020 2HD ARG 123 2HD ARG 123 -11.161 20.550 13.371 1021 HE ARG 123 HE ARG 123 -8.173 20.310 13.478 1022 1HH1 ARG 123 1HH1 ARG 123 -11.109 21.376 15.247 1023 2HH1 ARG 123 2HH1 ARG 123 -10.218 21.553 16.737 1024 1HH2 ARG 123 1HH2 ARG 123 -7.079 20.721 15.324 1025 2HH2 ARG 123 2HH2 ARG 123 -7.898 21.135 16.795 1026 HA PRO 124 HA PRO 124 -11.480 15.807 18.066 1027 1HB PRO 124 1HB PRO 124 -10.531 16.959 20.380 1028 2HB PRO 124 2HB PRO 124 -9.496 15.953 19.331 1029 1HG PRO 124 1HG PRO 124 -9.768 18.966 19.278 1030 2HG PRO 124 2HG PRO 124 -8.258 18.019 19.405 1031 1HD PRO 124 1HD PRO 124 -9.207 18.973 17.043 1032 2HD PRO 124 2HD PRO 124 -8.363 17.399 17.116 1033 H ASP 125 H ASP 125 -12.746 17.712 16.659 1034 HA ASP 125 HA ASP 125 -15.015 18.097 18.323 1035 1HB ASP 125 1HB ASP 125 -13.618 20.495 16.978 1036 2HB ASP 125 2HB ASP 125 -15.348 20.533 17.370 1037 H ASP 126 H ASP 126 -13.686 17.183 15.495 1038 HA ASP 126 HA ASP 126 -16.185 17.446 13.933 1039 1HB ASP 126 1HB ASP 126 -14.025 18.117 12.776 1040 2HB ASP 126 2HB ASP 126 -13.323 16.575 13.265 1041 H LEU 127 H LEU 127 -13.623 15.106 14.930 1042 HA LEU 127 HA LEU 127 -15.685 12.990 15.125 1043 1HB LEU 127 1HB LEU 127 -12.923 13.021 13.751 1044 2HB LEU 127 2HB LEU 127 -13.667 11.499 14.007 1045 HG LEU 127 HG LEU 127 -15.199 13.584 12.247 1046 1HD1 LEU 127 1HD1 LEU 127 -14.516 12.184 10.429 1047 2HD1 LEU 127 2HD1 LEU 127 -13.076 12.844 11.234 1048 3HD1 LEU 127 3HD1 LEU 127 -13.553 11.146 11.509 1049 1HD2 LEU 127 1HD2 LEU 127 -16.664 11.941 13.377 1050 2HD2 LEU 127 2HD2 LEU 127 -16.494 11.614 11.651 1051 3HD2 LEU 127 3HD2 LEU 127 -15.613 10.619 12.822 1052 H LYS 128 H LYS 128 -13.974 14.750 17.095 1053 HA LYS 128 HA LYS 128 -13.643 12.516 18.840 1054 1HB LYS 128 1HB LYS 128 -11.298 13.419 17.397 1055 2HB LYS 128 2HB LYS 128 -11.063 14.036 19.016 1056 1HG LYS 128 1HG LYS 128 -11.751 11.132 18.485 1057 2HG LYS 128 2HG LYS 128 -10.104 11.759 18.661 1058 1HD LYS 128 1HD LYS 128 -10.547 12.547 20.926 1059 2HD LYS 128 2HD LYS 128 -12.256 12.097 20.804 1060 1HE LYS 128 1HE LYS 128 -11.604 9.709 20.523 1061 2HE LYS 128 2HE LYS 128 -9.900 10.167 20.723 1062 1HZ LYS 128 1HZ LYS 128 -10.451 10.978 22.910 1063 2HZ LYS 128 2HZ LYS 128 -12.032 10.565 22.714 1064 3HZ LYS 128 3HZ LYS 128 -10.874 9.394 22.764 1065 H LEU 129 H LEU 129 -15.337 14.396 18.764 1066 HA LEU 129 HA LEU 129 -15.184 16.636 20.394 1067 1HB LEU 129 1HB LEU 129 -17.321 14.475 19.887 1068 2HB LEU 129 2HB LEU 129 -17.775 15.933 20.681 1069 HG LEU 129 HG LEU 129 -16.549 16.269 17.829 1070 1HD1 LEU 129 1HD1 LEU 129 -18.726 15.860 16.927 1071 2HD1 LEU 129 2HD1 LEU 129 -18.062 14.388 17.665 1072 3HD1 LEU 129 3HD1 LEU 129 -19.329 15.309 18.516 1073 1HD2 LEU 129 1HD2 LEU 129 -17.128 18.252 19.225 1074 2HD2 LEU 129 2HD2 LEU 129 -18.245 18.037 17.860 1075 3HD2 LEU 129 3HD2 LEU 129 -18.760 17.595 19.485 1076 HA PRO 130 HA PRO 130 -15.082 15.307 24.579 1077 1HB PRO 130 1HB PRO 130 -17.773 16.447 25.268 1078 2HB PRO 130 2HB PRO 130 -16.188 16.773 26.025 1079 1HG PRO 130 1HG PRO 130 -17.268 18.616 24.359 1080 2HG PRO 130 2HG PRO 130 -15.537 18.173 24.163 1081 1HD PRO 130 1HD PRO 130 -17.905 16.998 22.703 1082 2HD PRO 130 2HD PRO 130 -16.482 17.801 21.978 Start of MODEL 11 1 1H GLY 1 1H GLY 1 2.948 1.312 -0.337 2 2H GLY 1 2H GLY 1 3.464 -0.260 -0.412 3 3H GLY 1 3H GLY 1 2.454 0.356 -1.573 4 1HA GLY 1 1HA GLY 1 1.227 -1.048 -0.081 5 2HA GLY 1 2HA GLY 1 1.751 0.008 1.251 6 H SER 2 H SER 2 -0.841 -0.050 1.255 7 HA SER 2 HA SER 2 -2.201 1.546 -0.665 8 1HB SER 2 1HB SER 2 -3.323 -0.107 0.791 9 2HB SER 2 2HB SER 2 -2.981 0.909 2.213 10 HG SER 2 HG SER 2 -5.073 1.278 1.346 11 H MET 3 H MET 3 -2.844 3.846 -0.499 12 HA MET 3 HA MET 3 -0.994 5.458 1.052 13 1HB MET 3 1HB MET 3 -1.479 5.938 -1.289 14 2HB MET 3 2HB MET 3 -3.188 6.190 -0.927 15 1HG MET 3 1HG MET 3 -1.774 8.274 -1.210 16 2HG MET 3 2HG MET 3 -2.750 8.209 0.242 17 1HE MET 3 1HE MET 3 0.749 6.421 -0.443 18 2HE MET 3 2HE MET 3 0.852 7.997 -1.264 19 3HE MET 3 3HE MET 3 1.842 7.675 0.177 20 H GLY 4 H GLY 4 -2.032 4.385 3.073 21 1HA GLY 4 1HA GLY 4 -4.608 5.496 3.964 22 2HA GLY 4 2HA GLY 4 -3.482 4.482 4.894 23 H ASP 5 H ASP 5 -3.431 7.687 3.308 24 HA ASP 5 HA ASP 5 -3.162 9.049 5.798 25 1HB ASP 5 1HB ASP 5 -0.685 8.142 5.409 26 2HB ASP 5 2HB ASP 5 -0.645 9.055 3.918 27 H THR 6 H THR 6 -2.480 9.193 2.366 28 HA THR 6 HA THR 6 -2.596 10.717 0.716 29 HB THR 6 HB THR 6 -4.887 9.627 1.065 30 HG1 THR 6 HG1 THR 6 -5.598 10.678 -0.680 31 1HG2 THR 6 1HG2 THR 6 -5.508 12.536 1.646 32 2HG2 THR 6 2HG2 THR 6 -6.594 11.123 1.606 33 3HG2 THR 6 3HG2 THR 6 -5.372 11.286 2.900 34 H PHE 7 H PHE 7 -3.886 13.087 0.277 35 HA PHE 7 HA PHE 7 -2.598 14.906 2.229 36 1HB PHE 7 1HB PHE 7 -2.027 15.021 -0.709 37 2HB PHE 7 2HB PHE 7 -1.189 15.849 0.564 38 HD1 PHE 7 HD1 PHE 7 -1.443 12.515 -1.242 39 HD2 PHE 7 HD2 PHE 7 0.129 14.277 2.435 40 HE1 PHE 7 HE1 PHE 7 0.003 10.629 -0.906 41 HE2 PHE 7 HE2 PHE 7 1.543 12.356 2.710 42 HZ PHE 7 HZ PHE 7 1.523 10.508 1.057 43 H ILE 8 H ILE 8 -2.604 17.209 1.559 44 HA ILE 8 HA ILE 8 -5.404 17.891 1.578 45 HB ILE 8 HB ILE 8 -2.921 19.573 2.120 46 1HG1 ILE 8 1HG1 ILE 8 -3.090 17.636 3.671 47 2HG1 ILE 8 2HG1 ILE 8 -3.185 19.204 4.439 48 1HG2 ILE 8 1HG2 ILE 8 -5.845 20.141 2.601 49 2HG2 ILE 8 2HG2 ILE 8 -4.542 20.939 3.513 50 3HG2 ILE 8 3HG2 ILE 8 -4.614 21.117 1.762 51 1HD1 ILE 8 1HD1 ILE 8 -4.843 17.752 5.453 52 2HD1 ILE 8 2HD1 ILE 8 -5.678 19.012 4.540 53 3HD1 ILE 8 3HD1 ILE 8 -5.556 17.376 3.868 54 H ARG 9 H ARG 9 -6.345 19.703 0.326 55 HA ARG 9 HA ARG 9 -4.884 20.328 -2.191 56 1HB ARG 9 1HB ARG 9 -7.476 19.436 -2.045 57 2HB ARG 9 2HB ARG 9 -7.827 21.089 -1.601 58 1HG ARG 9 1HG ARG 9 -6.458 20.152 -4.153 59 2HG ARG 9 2HG ARG 9 -8.112 20.756 -3.971 60 1HD ARG 9 1HD ARG 9 -7.141 22.964 -3.179 61 2HD ARG 9 2HD ARG 9 -5.530 22.325 -3.609 62 HE ARG 9 HE ARG 9 -7.267 22.050 -5.835 63 1HH1 ARG 9 1HH1 ARG 9 -5.519 24.521 -3.993 64 2HH1 ARG 9 2HH1 ARG 9 -5.324 25.597 -5.348 65 1HH2 ARG 9 1HH2 ARG 9 -7.015 23.472 -7.632 66 2HH2 ARG 9 2HH2 ARG 9 -6.194 24.994 -7.437 67 H HIS 10 H HIS 10 -6.999 21.850 0.288 68 HA HIS 10 HA HIS 10 -5.106 23.726 1.166 69 1HB HIS 10 1HB HIS 10 -5.598 25.659 -0.084 70 2HB HIS 10 2HB HIS 10 -5.931 24.542 -1.366 71 HD1 HIS 10 HD1 HIS 10 -8.708 23.570 -0.906 72 HD2 HIS 10 HD2 HIS 10 -7.658 27.556 -0.183 73 HE1 HIS 10 HE1 HIS 10 -10.852 24.977 -0.976 74 H ILE 11 H ILE 11 -6.291 25.718 2.207 75 HA ILE 11 HA ILE 11 -8.514 24.643 3.761 76 HB ILE 11 HB ILE 11 -6.724 26.810 4.779 77 1HG1 ILE 11 1HG1 ILE 11 -6.177 23.833 5.106 78 2HG1 ILE 11 2HG1 ILE 11 -5.212 24.961 4.169 79 1HG2 ILE 11 1HG2 ILE 11 -7.523 25.860 6.953 80 2HG2 ILE 11 2HG2 ILE 11 -8.842 26.423 5.963 81 3HG2 ILE 11 3HG2 ILE 11 -8.521 24.690 6.062 82 1HD1 ILE 11 1HD1 ILE 11 -4.077 24.667 6.239 83 2HD1 ILE 11 2HD1 ILE 11 -4.727 26.310 6.178 84 3HD1 ILE 11 3HD1 ILE 11 -5.501 25.070 7.186 85 H ALA 12 H ALA 12 -10.266 26.079 4.329 86 HA ALA 12 HA ALA 12 -10.374 28.785 3.203 87 1HB ALA 12 1HB ALA 12 -11.480 27.346 1.479 88 2HB ALA 12 2HB ALA 12 -12.423 26.535 2.742 89 3HB ALA 12 3HB ALA 12 -12.704 28.248 2.392 90 H LEU 13 H LEU 13 -12.243 29.906 4.489 91 HA LEU 13 HA LEU 13 -12.949 28.345 6.789 92 1HB LEU 13 1HB LEU 13 -10.876 29.780 7.106 93 2HB LEU 13 2HB LEU 13 -11.870 31.216 7.054 94 HG LEU 13 HG LEU 13 -11.802 28.954 9.226 95 1HD1 LEU 13 1HD1 LEU 13 -10.614 30.435 10.471 96 2HD1 LEU 13 2HD1 LEU 13 -9.754 30.255 8.955 97 3HD1 LEU 13 3HD1 LEU 13 -10.698 31.741 9.285 98 1HD2 LEU 13 1HD2 LEU 13 -13.972 30.038 9.462 99 2HD2 LEU 13 2HD2 LEU 13 -12.879 30.456 10.761 100 3HD2 LEU 13 3HD2 LEU 13 -13.190 31.643 9.486 101 H LEU 14 H LEU 14 -14.874 28.700 7.714 102 HA LEU 14 HA LEU 14 -16.687 30.214 5.903 103 1HB LEU 14 1HB LEU 14 -16.870 27.641 7.275 104 2HB LEU 14 2HB LEU 14 -17.843 28.619 8.209 105 HG LEU 14 HG LEU 14 -18.890 29.440 5.897 106 1HD1 LEU 14 1HD1 LEU 14 -18.433 28.290 3.875 107 2HD1 LEU 14 2HD1 LEU 14 -16.817 28.362 4.573 108 3HD1 LEU 14 3HD1 LEU 14 -17.775 26.887 4.685 109 1HD2 LEU 14 1HD2 LEU 14 -20.105 27.904 7.343 110 2HD2 LEU 14 2HD2 LEU 14 -20.335 27.472 5.638 111 3HD2 LEU 14 3HD2 LEU 14 -19.236 26.515 6.652 112 H GLY 15 H GLY 15 -15.952 29.857 9.344 113 1HA GLY 15 1HA GLY 15 -15.541 32.468 9.959 114 2HA GLY 15 2HA GLY 15 -17.293 32.523 9.783 115 H PHE 16 H PHE 16 -18.546 31.998 11.432 116 HA PHE 16 HA PHE 16 -17.290 31.492 14.017 117 1HB PHE 16 1HB PHE 16 -20.182 31.925 13.335 118 2HB PHE 16 2HB PHE 16 -19.454 32.051 14.897 119 HD1 PHE 16 HD1 PHE 16 -17.341 33.955 15.093 120 HD2 PHE 16 HD2 PHE 16 -20.365 34.091 11.931 121 HE1 PHE 16 HE1 PHE 16 -16.843 36.253 14.654 122 HE2 PHE 16 HE2 PHE 16 -19.807 36.384 11.556 123 HZ PHE 16 HZ PHE 16 -18.048 37.516 12.894 124 H GLU 17 H GLU 17 -18.690 30.045 15.497 125 HA GLU 17 HA GLU 17 -20.299 27.993 14.524 126 1HB GLU 17 1HB GLU 17 -18.396 26.816 13.728 127 2HB GLU 17 2HB GLU 17 -17.458 27.208 15.156 128 1HG GLU 17 1HG GLU 17 -18.022 24.874 15.159 129 2HG GLU 17 2HG GLU 17 -18.878 25.625 16.499 130 H LYS 18 H LYS 18 -21.189 26.800 16.359 131 HA LYS 18 HA LYS 18 -20.867 28.081 18.980 132 1HB LYS 18 1HB LYS 18 -23.223 27.329 19.250 133 2HB LYS 18 2HB LYS 18 -22.916 28.720 18.221 134 1HG LYS 18 1HG LYS 18 -23.096 26.058 16.824 135 2HG LYS 18 2HG LYS 18 -24.577 26.711 17.520 136 1HD LYS 18 1HD LYS 18 -24.435 28.745 16.290 137 2HD LYS 18 2HD LYS 18 -22.831 28.375 15.652 138 1HE LYS 18 1HE LYS 18 -25.211 26.546 15.130 139 2HE LYS 18 2HE LYS 18 -24.915 27.977 14.129 140 1HZ LYS 18 1HZ LYS 18 -23.931 25.901 13.276 141 2HZ LYS 18 2HZ LYS 18 -22.858 27.133 13.462 142 3HZ LYS 18 3HZ LYS 18 -22.855 25.912 14.530 143 H ARG 19 H ARG 19 -19.334 26.521 19.788 144 HA ARG 19 HA ARG 19 -20.316 23.741 20.143 145 1HB ARG 19 1HB ARG 19 -17.848 24.683 19.052 146 2HB ARG 19 2HB ARG 19 -17.479 24.139 20.690 147 1HG ARG 19 1HG ARG 19 -17.175 22.271 19.275 148 2HG ARG 19 2HG ARG 19 -18.687 21.981 20.147 149 1HD ARG 19 1HD ARG 19 -19.923 22.856 18.083 150 2HD ARG 19 2HD ARG 19 -18.357 22.957 17.261 151 HE ARG 19 HE ARG 19 -18.536 20.371 18.310 152 1HH1 ARG 19 1HH1 ARG 19 -20.158 22.266 15.718 153 2HH1 ARG 19 2HH1 ARG 19 -20.868 20.850 15.022 154 1HH2 ARG 19 1HH2 ARG 19 -19.383 18.562 17.259 155 2HH2 ARG 19 2HH2 ARG 19 -20.386 18.738 15.848 156 H PHE 20 H PHE 20 -21.458 23.840 22.011 157 HA PHE 20 HA PHE 20 -20.618 25.633 24.062 158 1HB PHE 20 1HB PHE 20 -22.651 23.298 24.191 159 2HB PHE 20 2HB PHE 20 -22.956 24.766 24.999 160 HD1 PHE 20 HD1 PHE 20 -23.627 22.827 21.808 161 HD2 PHE 20 HD2 PHE 20 -23.448 26.992 23.191 162 HE1 PHE 20 HE1 PHE 20 -24.903 23.552 19.958 163 HE2 PHE 20 HE2 PHE 20 -24.739 27.622 21.299 164 HZ PHE 20 HZ PHE 20 -25.503 25.935 19.646 165 H VAL 21 H VAL 21 -19.816 22.472 23.157 166 HA VAL 21 HA VAL 21 -19.128 21.733 25.828 167 HB VAL 21 HB VAL 21 -19.738 19.275 24.412 168 1HG1 VAL 21 1HG1 VAL 21 -21.895 19.407 25.618 169 2HG1 VAL 21 2HG1 VAL 21 -20.617 20.049 26.688 170 3HG1 VAL 21 3HG1 VAL 21 -21.699 21.164 25.820 171 1HG2 VAL 21 1HG2 VAL 21 -21.527 19.410 23.183 172 2HG2 VAL 21 2HG2 VAL 21 -21.708 21.172 23.383 173 3HG2 VAL 21 3HG2 VAL 21 -20.288 20.501 22.496 174 HA PRO 22 HA PRO 22 -18.045 19.436 26.286 175 1HB PRO 22 1HB PRO 22 -15.691 18.664 27.381 176 2HB PRO 22 2HB PRO 22 -16.360 17.907 25.909 177 1HG PRO 22 1HG PRO 22 -14.277 20.092 26.076 178 2HG PRO 22 2HG PRO 22 -14.216 18.590 25.106 179 1HD PRO 22 1HD PRO 22 -15.056 21.055 24.178 180 2HD PRO 22 2HD PRO 22 -15.650 19.513 23.467 181 H SER 23 H SER 23 -16.665 22.393 25.844 182 HA SER 23 HA SER 23 -17.136 23.272 28.565 183 1HB SER 23 1HB SER 23 -14.505 23.670 26.928 184 2HB SER 23 2HB SER 23 -14.886 24.747 28.258 185 HG SER 23 HG SER 23 -14.969 21.944 28.608 186 H GLN 24 H GLN 24 -17.324 25.798 28.594 187 HA GLN 24 HA GLN 24 -19.089 26.450 26.457 188 1HB GLN 24 1HB GLN 24 -18.097 28.273 28.602 189 2HB GLN 24 2HB GLN 24 -19.574 28.322 27.669 190 1HG GLN 24 1HG GLN 24 -19.038 26.169 29.927 191 2HG GLN 24 2HG GLN 24 -20.319 27.330 29.961 192 1HE2 GLN 24 1HE2 GLN 24 -19.408 24.243 29.082 193 2HE2 GLN 24 2HE2 GLN 24 -20.702 23.881 27.951 194 H HIS 25 H HIS 25 -18.138 27.253 24.419 195 HA HIS 25 HA HIS 25 -16.651 29.638 24.537 196 1HB HIS 25 1HB HIS 25 -14.809 28.176 23.106 197 2HB HIS 25 2HB HIS 25 -14.607 28.351 24.872 198 HD1 HIS 25 HD1 HIS 25 -16.888 25.965 22.870 199 HD2 HIS 25 HD2 HIS 25 -13.376 25.833 25.151 200 HE1 HIS 25 HE1 HIS 25 -16.264 23.568 23.090 201 H TYR 26 H TYR 26 -17.462 30.712 22.471 202 HA TYR 26 HA TYR 26 -18.408 28.829 20.468 203 1HB TYR 26 1HB TYR 26 -18.119 31.841 20.552 204 2HB TYR 26 2HB TYR 26 -18.191 31.074 19.013 205 HD1 TYR 26 HD1 TYR 26 -20.286 29.827 22.040 206 HD2 TYR 26 HD2 TYR 26 -20.508 31.865 18.162 207 HE1 TYR 26 HE1 TYR 26 -22.658 29.713 22.066 208 HE2 TYR 26 HE2 TYR 26 -22.876 31.711 18.273 209 HH TYR 26 HH TYR 26 -24.724 31.025 19.465 210 H VAL 27 H VAL 27 -17.501 28.627 18.293 211 HA VAL 27 HA VAL 27 -14.521 28.945 18.237 212 HB VAL 27 HB VAL 27 -14.169 26.660 18.009 213 1HG1 VAL 27 1HG1 VAL 27 -15.205 25.430 19.743 214 2HG1 VAL 27 2HG1 VAL 27 -14.911 27.082 20.305 215 3HG1 VAL 27 3HG1 VAL 27 -16.551 26.560 19.830 216 1HG2 VAL 27 1HG2 VAL 27 -15.728 26.124 16.205 217 2HG2 VAL 27 2HG2 VAL 27 -15.923 24.970 17.524 218 3HG2 VAL 27 3HG2 VAL 27 -17.076 26.314 17.363 219 H TYR 28 H TYR 28 -13.825 27.967 15.822 220 HA TYR 28 HA TYR 28 -15.328 29.639 14.078 221 1HB TYR 28 1HB TYR 28 -12.905 28.540 12.895 222 2HB TYR 28 2HB TYR 28 -13.491 30.157 13.083 223 HD1 TYR 28 HD1 TYR 28 -11.316 27.658 14.731 224 HD2 TYR 28 HD2 TYR 28 -12.806 31.669 14.665 225 HE1 TYR 28 HE1 TYR 28 -9.633 28.286 16.416 226 HE2 TYR 28 HE2 TYR 28 -11.074 32.327 16.333 227 HH TYR 28 HH TYR 28 -9.297 31.688 17.558 228 H MET 29 H MET 29 -16.415 28.782 12.305 229 HA MET 29 HA MET 29 -16.331 25.914 11.951 230 1HB MET 29 1HB MET 29 -18.420 26.890 11.555 231 2HB MET 29 2HB MET 29 -17.785 28.070 10.394 232 1HG MET 29 1HG MET 29 -18.975 26.607 9.135 233 2HG MET 29 2HG MET 29 -17.331 26.044 8.863 234 1HE MET 29 1HE MET 29 -16.634 24.002 11.085 235 2HE MET 29 2HE MET 29 -17.356 22.541 10.410 236 3HE MET 29 3HE MET 29 -16.550 23.703 9.333 237 H PHE 30 H PHE 30 -14.410 25.083 10.880 238 HA PHE 30 HA PHE 30 -12.954 26.759 9.139 239 1HB PHE 30 1HB PHE 30 -12.390 25.173 11.467 240 2HB PHE 30 2HB PHE 30 -12.031 24.119 10.149 241 HD1 PHE 30 HD1 PHE 30 -11.190 27.921 11.098 242 HD2 PHE 30 HD2 PHE 30 -9.749 24.190 9.368 243 HE1 PHE 30 HE1 PHE 30 -8.972 28.837 10.719 244 HE2 PHE 30 HE2 PHE 30 -7.553 25.209 9.065 245 HZ PHE 30 HZ PHE 30 -7.165 27.547 9.739 246 H LEU 31 H LEU 31 -12.558 25.971 6.896 247 HA LEU 31 HA LEU 31 -13.873 23.469 6.211 248 1HB LEU 31 1HB LEU 31 -13.629 26.127 4.864 249 2HB LEU 31 2HB LEU 31 -13.740 24.689 3.854 250 HG LEU 31 HG LEU 31 -15.872 25.874 4.308 251 1HD1 LEU 31 1HD1 LEU 31 -15.732 22.971 5.175 252 2HD1 LEU 31 2HD1 LEU 31 -17.186 23.832 4.627 253 3HD1 LEU 31 3HD1 LEU 31 -15.824 23.575 3.504 254 1HD2 LEU 31 1HD2 LEU 31 -17.050 25.607 6.387 255 2HD2 LEU 31 2HD2 LEU 31 -15.857 24.505 7.032 256 3HD2 LEU 31 3HD2 LEU 31 -15.423 26.216 6.811 257 H VAL 32 H VAL 32 -12.655 21.709 5.528 258 HA VAL 32 HA VAL 32 -10.026 22.433 4.426 259 HB VAL 32 HB VAL 32 -9.451 21.378 6.221 260 1HG1 VAL 32 1HG1 VAL 32 -11.568 20.608 7.081 261 2HG1 VAL 32 2HG1 VAL 32 -11.562 19.255 5.908 262 3HG1 VAL 32 3HG1 VAL 32 -10.332 19.351 7.194 263 1HG2 VAL 32 1HG2 VAL 32 -8.627 19.099 5.493 264 2HG2 VAL 32 2HG2 VAL 32 -9.638 19.225 4.071 265 3HG2 VAL 32 3HG2 VAL 32 -8.325 20.386 4.303 266 H LYS 33 H LYS 33 -9.537 21.725 2.345 267 HA LYS 33 HA LYS 33 -11.680 20.199 1.014 268 1HB LYS 33 1HB LYS 33 -11.475 22.495 0.237 269 2HB LYS 33 2HB LYS 33 -9.795 22.171 -0.227 270 1HG LYS 33 1HG LYS 33 -10.464 20.501 -1.838 271 2HG LYS 33 2HG LYS 33 -12.135 20.505 -1.268 272 1HD LYS 33 1HD LYS 33 -10.800 22.933 -2.537 273 2HD LYS 33 2HD LYS 33 -11.697 21.706 -3.447 274 1HE LYS 33 1HE LYS 33 -13.729 22.145 -2.078 275 2HE LYS 33 2HE LYS 33 -12.879 23.439 -1.220 276 1HZ LYS 33 1HZ LYS 33 -13.418 23.378 -4.103 277 2HZ LYS 33 2HZ LYS 33 -14.218 24.277 -2.982 278 3HZ LYS 33 3HZ LYS 33 -12.633 24.584 -3.296 279 H TRP 34 H TRP 34 -10.956 17.971 0.792 280 HA TRP 34 HA TRP 34 -8.050 17.689 0.729 281 1HB TRP 34 1HB TRP 34 -10.220 15.630 0.969 282 2HB TRP 34 2HB TRP 34 -8.510 15.301 0.907 283 HD1 TRP 34 HD1 TRP 34 -10.863 17.203 3.223 284 HE1 TRP 34 HE1 TRP 34 -10.010 16.892 5.678 285 HE3 TRP 34 HE3 TRP 34 -6.673 14.557 2.251 286 HZ2 TRP 34 HZ2 TRP 34 -7.735 15.611 6.994 287 HZ3 TRP 34 HZ3 TRP 34 -5.167 13.806 4.064 288 HH2 TRP 34 HH2 TRP 34 -5.693 14.315 6.417 289 H GLN 35 H GLN 35 -7.007 16.432 -0.971 290 HA GLN 35 HA GLN 35 -8.445 16.699 -3.563 291 1HB GLN 35 1HB GLN 35 -5.981 16.120 -4.512 292 2HB GLN 35 2HB GLN 35 -5.999 17.569 -3.534 293 1HG GLN 35 1HG GLN 35 -4.127 16.323 -2.999 294 2HG GLN 35 2HG GLN 35 -5.184 16.320 -1.604 295 1HE2 GLN 35 1HE2 GLN 35 -5.468 14.317 -0.650 296 2HE2 GLN 35 2HE2 GLN 35 -5.127 12.777 -1.421 297 H ASP 36 H ASP 36 -8.661 14.548 -1.341 298 HA ASP 36 HA ASP 36 -9.161 12.338 -3.189 299 1HB ASP 36 1HB ASP 36 -6.937 11.950 -1.934 300 2HB ASP 36 2HB ASP 36 -7.721 12.239 -0.395 301 H LEU 37 H LEU 37 -9.538 13.000 0.314 302 HA LEU 37 HA LEU 37 -12.139 11.867 0.433 303 1HB LEU 37 1HB LEU 37 -10.725 13.871 2.224 304 2HB LEU 37 2HB LEU 37 -12.251 13.102 2.618 305 HG LEU 37 HG LEU 37 -10.522 12.100 3.845 306 1HD1 LEU 37 1HD1 LEU 37 -10.785 9.747 3.368 307 2HD1 LEU 37 2HD1 LEU 37 -12.322 10.599 3.124 308 3HD1 LEU 37 3HD1 LEU 37 -11.343 10.092 1.721 309 1HD2 LEU 37 1HD2 LEU 37 -8.609 12.572 2.270 310 2HD2 LEU 37 2HD2 LEU 37 -8.597 10.982 3.050 311 3HD2 LEU 37 3HD2 LEU 37 -9.097 11.120 1.360 312 H SER 38 H SER 38 -11.275 14.772 -1.034 313 HA SER 38 HA SER 38 -12.528 16.616 -1.794 314 1HB SER 38 1HB SER 38 -14.868 14.584 -1.316 315 2HB SER 38 2HB SER 38 -15.050 16.078 -2.198 316 HG SER 38 HG SER 38 -14.551 14.279 -3.507 317 H GLU 39 H GLU 39 -15.119 17.519 -0.812 318 HA GLU 39 HA GLU 39 -14.096 19.166 1.070 319 1HB GLU 39 1HB GLU 39 -16.723 19.870 1.327 320 2HB GLU 39 2HB GLU 39 -16.186 19.816 -0.343 321 1HG GLU 39 1HG GLU 39 -17.114 17.510 -0.545 322 2HG GLU 39 2HG GLU 39 -17.677 17.630 1.128 323 H LYS 40 H LYS 40 -14.189 19.449 3.350 324 HA LYS 40 HA LYS 40 -15.731 17.522 4.871 325 1HB LYS 40 1HB LYS 40 -12.957 17.025 4.388 326 2HB LYS 40 2HB LYS 40 -13.104 17.485 6.081 327 1HG LYS 40 1HG LYS 40 -15.032 15.436 4.968 328 2HG LYS 40 2HG LYS 40 -13.361 14.971 5.232 329 1HD LYS 40 1HD LYS 40 -14.899 14.454 7.150 330 2HD LYS 40 2HD LYS 40 -13.426 15.349 7.557 331 1HE LYS 40 1HE LYS 40 -14.623 17.427 7.701 332 2HE LYS 40 2HE LYS 40 -16.148 16.673 7.160 333 1HZ LYS 40 1HZ LYS 40 -15.901 17.090 9.561 334 2HZ LYS 40 2HZ LYS 40 -16.208 15.500 9.222 335 3HZ LYS 40 3HZ LYS 40 -14.704 16.020 9.658 336 H VAL 41 H VAL 41 -16.635 18.773 6.573 337 HA VAL 41 HA VAL 41 -15.469 21.389 6.980 338 HB VAL 41 HB VAL 41 -17.470 22.150 7.596 339 1HG1 VAL 41 1HG1 VAL 41 -17.360 21.298 5.204 340 2HG1 VAL 41 2HG1 VAL 41 -18.282 19.882 5.721 341 3HG1 VAL 41 3HG1 VAL 41 -18.994 21.499 5.852 342 1HG2 VAL 41 1HG2 VAL 41 -18.323 19.324 8.267 343 2HG2 VAL 41 2HG2 VAL 41 -17.976 20.634 9.414 344 3HG2 VAL 41 3HG2 VAL 41 -19.370 20.774 8.340 345 H VAL 42 H VAL 42 -14.679 22.029 9.114 346 HA VAL 42 HA VAL 42 -14.870 19.983 11.214 347 HB VAL 42 HB VAL 42 -12.612 19.833 11.720 348 1HG1 VAL 42 1HG1 VAL 42 -12.757 19.624 8.697 349 2HG1 VAL 42 2HG1 VAL 42 -11.577 18.830 9.758 350 3HG1 VAL 42 3HG1 VAL 42 -13.291 18.390 9.851 351 1HG2 VAL 42 1HG2 VAL 42 -11.923 21.897 9.609 352 2HG2 VAL 42 2HG2 VAL 42 -11.768 22.082 11.380 353 3HG2 VAL 42 3HG2 VAL 42 -10.759 20.923 10.527 354 H TYR 43 H TYR 43 -14.821 20.873 13.363 355 HA TYR 43 HA TYR 43 -15.264 23.731 13.445 356 1HB TYR 43 1HB TYR 43 -15.280 21.933 15.799 357 2HB TYR 43 2HB TYR 43 -16.241 23.345 15.457 358 HD1 TYR 43 HD1 TYR 43 -16.550 19.630 15.394 359 HD2 TYR 43 HD2 TYR 43 -17.806 23.013 12.939 360 HE1 TYR 43 HE1 TYR 43 -18.187 18.311 14.322 361 HE2 TYR 43 HE2 TYR 43 -19.404 21.660 11.920 362 HH TYR 43 HH TYR 43 -20.313 19.526 11.718 363 H ARG 44 H ARG 44 -13.721 25.145 14.585 364 HA ARG 44 HA ARG 44 -11.402 23.719 15.877 365 1HB ARG 44 1HB ARG 44 -11.221 25.852 13.718 366 2HB ARG 44 2HB ARG 44 -9.963 25.621 14.928 367 1HG ARG 44 1HG ARG 44 -10.305 23.021 14.001 368 2HG ARG 44 2HG ARG 44 -10.781 23.931 12.596 369 1HD ARG 44 1HD ARG 44 -8.646 24.193 12.035 370 2HD ARG 44 2HD ARG 44 -8.371 25.211 13.430 371 HE ARG 44 HE ARG 44 -7.110 22.849 12.948 372 1HH1 ARG 44 1HH1 ARG 44 -9.078 23.956 15.704 373 2HH1 ARG 44 2HH1 ARG 44 -8.518 22.624 16.720 374 1HH2 ARG 44 1HH2 ARG 44 -6.445 21.153 14.384 375 2HH2 ARG 44 2HH2 ARG 44 -6.967 21.232 16.062 376 H ARG 45 H ARG 45 -10.625 24.798 17.796 377 HA ARG 45 HA ARG 45 -11.985 27.329 18.480 378 1HB ARG 45 1HB ARG 45 -12.012 26.643 20.801 379 2HB ARG 45 2HB ARG 45 -12.900 25.483 19.804 380 1HG ARG 45 1HG ARG 45 -11.099 23.897 19.880 381 2HG ARG 45 2HG ARG 45 -10.024 25.051 20.685 382 1HD ARG 45 1HD ARG 45 -10.736 23.650 22.431 383 2HD ARG 45 2HD ARG 45 -11.682 25.127 22.614 384 HE ARG 45 HE ARG 45 -13.570 23.925 22.375 385 1HH1 ARG 45 1HH1 ARG 45 -10.893 21.973 21.078 386 2HH1 ARG 45 2HH1 ARG 45 -11.898 20.579 20.765 387 1HH2 ARG 45 1HH2 ARG 45 -14.865 22.051 22.037 388 2HH2 ARG 45 2HH2 ARG 45 -14.102 20.583 21.467 389 H PHE 46 H PHE 46 -10.770 28.774 19.923 390 HA PHE 46 HA PHE 46 -8.235 29.395 19.047 391 1HB PHE 46 1HB PHE 46 -8.129 30.776 21.150 392 2HB PHE 46 2HB PHE 46 -9.475 31.037 20.054 393 HD1 PHE 46 HD1 PHE 46 -11.794 30.443 20.669 394 HD2 PHE 46 HD2 PHE 46 -8.509 29.922 23.427 395 HE1 PHE 46 HE1 PHE 46 -13.395 30.212 22.538 396 HE2 PHE 46 HE2 PHE 46 -10.122 29.696 25.290 397 HZ PHE 46 HZ PHE 46 -12.563 29.839 24.854 398 H THR 47 H THR 47 -8.879 27.775 22.143 399 HA THR 47 HA THR 47 -6.149 27.405 22.806 400 HB THR 47 HB THR 47 -7.972 27.173 24.416 401 HG1 THR 47 HG1 THR 47 -6.366 24.837 24.258 402 1HG2 THR 47 1HG2 THR 47 -9.564 25.867 23.072 403 2HG2 THR 47 2HG2 THR 47 -8.473 24.457 23.125 404 3HG2 THR 47 3HG2 THR 47 -9.211 25.072 24.617 405 H GLU 48 H GLU 48 -7.986 25.646 20.402 406 HA GLU 48 HA GLU 48 -6.086 23.418 20.299 407 1HB GLU 48 1HB GLU 48 -8.480 24.273 18.585 408 2HB GLU 48 2HB GLU 48 -7.227 23.265 18.029 409 1HG GLU 48 1HG GLU 48 -8.261 22.303 20.602 410 2HG GLU 48 2HG GLU 48 -9.524 22.467 19.377 411 H ILE 49 H ILE 49 -6.847 26.452 18.486 412 HA ILE 49 HA ILE 49 -4.883 26.024 16.472 413 HB ILE 49 HB ILE 49 -5.561 28.773 17.654 414 1HG1 ILE 49 1HG1 ILE 49 -7.648 27.874 17.255 415 2HG1 ILE 49 2HG1 ILE 49 -7.249 29.158 16.166 416 1HG2 ILE 49 1HG2 ILE 49 -5.018 29.535 15.341 417 2HG2 ILE 49 2HG2 ILE 49 -3.644 28.729 16.107 418 3HG2 ILE 49 3HG2 ILE 49 -4.610 27.865 14.902 419 1HD1 ILE 49 1HD1 ILE 49 -6.814 27.339 14.373 420 2HD1 ILE 49 2HD1 ILE 49 -7.565 26.201 15.536 421 3HD1 ILE 49 3HD1 ILE 49 -8.476 27.539 14.854 422 H TYR 50 H TYR 50 -4.721 27.419 19.725 423 HA TYR 50 HA TYR 50 -1.894 27.985 19.690 424 1HB TYR 50 1HB TYR 50 -3.641 27.354 22.124 425 2HB TYR 50 2HB TYR 50 -2.205 28.304 22.102 426 HD1 TYR 50 HD1 TYR 50 -4.993 29.234 23.306 427 HD2 TYR 50 HD2 TYR 50 -3.318 29.980 19.343 428 HE1 TYR 50 HE1 TYR 50 -6.313 31.218 23.089 429 HE2 TYR 50 HE2 TYR 50 -4.661 31.961 19.195 430 HH TYR 50 HH TYR 50 -6.011 33.500 20.366 431 H GLU 51 H GLU 51 -3.690 25.270 21.167 432 HA GLU 51 HA GLU 51 -1.382 24.005 22.204 433 1HB GLU 51 1HB GLU 51 -4.089 22.928 21.376 434 2HB GLU 51 2HB GLU 51 -2.820 21.864 21.988 435 1HG GLU 51 1HG GLU 51 -2.707 22.958 24.093 436 2HG GLU 51 2HG GLU 51 -3.689 24.317 23.562 437 H PHE 52 H PHE 52 -2.945 23.719 19.045 438 HA PHE 52 HA PHE 52 -1.278 21.728 17.882 439 1HB PHE 52 1HB PHE 52 -3.256 22.454 16.740 440 2HB PHE 52 2HB PHE 52 -2.764 24.103 16.720 441 HD1 PHE 52 HD1 PHE 52 -1.120 24.992 14.778 442 HD2 PHE 52 HD2 PHE 52 -1.972 20.739 15.164 443 HE1 PHE 52 HE1 PHE 52 -0.230 24.560 12.619 444 HE2 PHE 52 HE2 PHE 52 -1.085 20.386 13.012 445 HZ PHE 52 HZ PHE 52 -0.194 22.276 11.654 446 H HIS 53 H HIS 53 -1.140 25.272 17.332 447 HA HIS 53 HA HIS 53 1.303 25.217 16.131 448 1HB HIS 53 1HB HIS 53 -0.449 27.045 16.271 449 2HB HIS 53 2HB HIS 53 0.209 27.498 17.854 450 HD1 HIS 53 HD1 HIS 53 1.705 26.473 14.547 451 HD2 HIS 53 HD2 HIS 53 1.910 29.761 17.126 452 HE1 HIS 53 HE1 HIS 53 3.281 27.991 13.519 453 H LYS 54 H LYS 54 0.609 25.379 19.468 454 HA LYS 54 HA LYS 54 3.322 25.906 20.304 455 1HB LYS 54 1HB LYS 54 1.476 26.256 21.895 456 2HB LYS 54 2HB LYS 54 1.109 24.522 21.852 457 1HG LYS 54 1HG LYS 54 2.262 24.857 23.857 458 2HG LYS 54 2HG LYS 54 3.445 24.107 22.794 459 1HD LYS 54 1HD LYS 54 4.170 26.597 22.263 460 2HD LYS 54 2HD LYS 54 3.239 26.995 23.708 461 1HE LYS 54 1HE LYS 54 5.734 25.265 23.443 462 2HE LYS 54 2HE LYS 54 5.532 26.763 24.360 463 1HZ LYS 54 1HZ LYS 54 3.953 25.461 25.773 464 2HZ LYS 54 2HZ LYS 54 4.472 24.096 24.982 465 3HZ LYS 54 3HZ LYS 54 5.530 24.978 25.845 466 H THR 55 H THR 55 1.515 22.946 19.652 467 HA THR 55 HA THR 55 3.706 21.178 20.462 468 HB THR 55 HB THR 55 1.289 20.621 18.703 469 HG1 THR 55 HG1 THR 55 1.816 20.247 21.472 470 1HG2 THR 55 1HG2 THR 55 1.658 18.268 19.321 471 2HG2 THR 55 2HG2 THR 55 2.888 18.955 18.266 472 3HG2 THR 55 3HG2 THR 55 3.250 18.733 19.994 473 H LEU 56 H LEU 56 2.793 22.658 17.421 474 HA LEU 56 HA LEU 56 4.771 21.299 15.935 475 1HB LEU 56 1HB LEU 56 2.939 23.003 15.082 476 2HB LEU 56 2HB LEU 56 4.035 24.263 15.565 477 HG LEU 56 HG LEU 56 3.956 23.947 13.262 478 1HD1 LEU 56 1HD1 LEU 56 6.264 24.197 12.812 479 2HD1 LEU 56 2HD1 LEU 56 5.953 24.908 14.408 480 3HD1 LEU 56 3HD1 LEU 56 6.726 23.321 14.277 481 1HD2 LEU 56 1HD2 LEU 56 5.752 21.826 12.673 482 2HD2 LEU 56 2HD2 LEU 56 4.521 21.110 13.726 483 3HD2 LEU 56 3HD2 LEU 56 4.056 21.929 12.233 484 H LYS 57 H LYS 57 4.918 24.351 17.770 485 HA LYS 57 HA LYS 57 7.747 24.598 17.339 486 1HB LYS 57 1HB LYS 57 6.066 25.561 19.713 487 2HB LYS 57 2HB LYS 57 7.665 26.145 19.307 488 1HG LYS 57 1HG LYS 57 5.068 27.112 18.463 489 2HG LYS 57 2HG LYS 57 6.651 27.869 18.417 490 1HD LYS 57 1HD LYS 57 6.784 26.222 16.181 491 2HD LYS 57 2HD LYS 57 5.065 26.578 16.252 492 1HE LYS 57 1HE LYS 57 7.375 28.579 16.144 493 2HE LYS 57 2HE LYS 57 6.244 28.208 14.843 494 1HZ LYS 57 1HZ LYS 57 5.484 29.411 17.424 495 2HZ LYS 57 2HZ LYS 57 5.749 30.252 16.033 496 3HZ LYS 57 3HZ LYS 57 4.508 29.189 16.110 497 H GLU 58 H GLU 58 6.060 22.603 19.613 498 HA GLU 58 HA GLU 58 8.334 22.350 21.345 499 1HB GLU 58 1HB GLU 58 5.807 20.547 21.087 500 2HB GLU 58 2HB GLU 58 6.968 20.350 22.322 501 1HG GLU 58 1HG GLU 58 6.157 23.252 22.270 502 2HG GLU 58 2HG GLU 58 4.730 22.248 22.349 503 H MET 59 H MET 59 6.684 20.157 18.971 504 HA MET 59 HA MET 59 8.706 18.184 19.089 505 1HB MET 59 1HB MET 59 6.943 18.867 16.763 506 2HB MET 59 2HB MET 59 7.693 17.335 17.054 507 1HG MET 59 1HG MET 59 6.181 16.876 18.943 508 2HG MET 59 2HG MET 59 5.414 18.445 18.758 509 1HE MET 59 1HE MET 59 5.294 18.614 15.478 510 2HE MET 59 2HE MET 59 3.679 17.998 15.195 511 3HE MET 59 3HE MET 59 3.979 19.185 16.478 512 H PHE 60 H PHE 60 8.108 20.861 16.745 513 HA PHE 60 HA PHE 60 10.681 20.386 15.463 514 1HB PHE 60 1HB PHE 60 8.454 22.234 14.777 515 2HB PHE 60 2HB PHE 60 9.925 21.969 13.954 516 HD1 PHE 60 HD1 PHE 60 6.429 20.396 14.543 517 HD2 PHE 60 HD2 PHE 60 10.310 19.569 12.706 518 HE1 PHE 60 HE1 PHE 60 5.531 18.568 13.299 519 HE2 PHE 60 HE2 PHE 60 9.331 17.761 11.528 520 HZ PHE 60 HZ PHE 60 6.925 17.219 11.787 521 HA PRO 61 HA PRO 61 11.245 24.224 18.250 522 1HB PRO 61 1HB PRO 61 13.805 24.071 19.058 523 2HB PRO 61 2HB PRO 61 12.525 23.045 19.779 524 1HG PRO 61 1HG PRO 61 14.509 22.298 17.631 525 2HG PRO 61 2HG PRO 61 14.071 21.367 19.090 526 1HD PRO 61 1HD PRO 61 13.042 20.990 16.602 527 2HD PRO 61 2HD PRO 61 12.096 20.598 18.110 528 H ILE 62 H ILE 62 12.876 23.018 15.474 529 HA ILE 62 HA ILE 62 14.427 25.282 14.766 530 HB ILE 62 HB ILE 62 13.169 23.183 13.026 531 1HG1 ILE 62 1HG1 ILE 62 14.480 21.946 14.651 532 2HG1 ILE 62 2HG1 ILE 62 15.326 21.930 13.109 533 1HG2 ILE 62 1HG2 ILE 62 13.868 25.010 11.732 534 2HG2 ILE 62 2HG2 ILE 62 15.527 24.819 12.377 535 3HG2 ILE 62 3HG2 ILE 62 14.773 23.537 11.384 536 1HD1 ILE 62 1HD1 ILE 62 16.834 23.754 13.931 537 2HD1 ILE 62 2HD1 ILE 62 15.990 23.713 15.499 538 3HD1 ILE 62 3HD1 ILE 62 16.894 22.299 14.938 539 H GLU 63 H GLU 63 11.165 24.053 13.970 540 HA GLU 63 HA GLU 63 10.382 26.146 12.193 541 1HB GLU 63 1HB GLU 63 8.931 24.221 14.001 542 2HB GLU 63 2HB GLU 63 8.079 25.448 13.079 543 1HG GLU 63 1HG GLU 63 8.136 23.134 12.042 544 2HG GLU 63 2HG GLU 63 8.496 24.521 11.036 545 H ALA 64 H ALA 64 11.131 26.206 15.532 546 HA ALA 64 HA ALA 64 9.854 28.817 15.832 547 1HB ALA 64 1HB ALA 64 10.139 26.698 18.033 548 2HB ALA 64 2HB ALA 64 9.211 28.215 18.145 549 3HB ALA 64 3HB ALA 64 8.660 26.885 17.096 550 H GLY 65 H GLY 65 12.503 28.109 14.992 551 1HA GLY 65 1HA GLY 65 13.889 29.807 16.884 552 2HA GLY 65 2HA GLY 65 14.496 28.115 16.771 553 H ALA 66 H ALA 66 14.416 27.505 14.146 554 HA ALA 66 HA ALA 66 16.341 29.447 13.119 555 1HB ALA 66 1HB ALA 66 16.978 27.794 11.500 556 2HB ALA 66 2HB ALA 66 16.768 26.907 13.027 557 3HB ALA 66 3HB ALA 66 15.489 26.885 11.775 558 H ILE 67 H ILE 67 13.086 28.675 12.916 559 HA ILE 67 HA ILE 67 12.809 30.313 10.412 560 HB ILE 67 HB ILE 67 10.963 28.170 11.514 561 1HG1 ILE 67 1HG1 ILE 67 13.233 28.184 9.447 562 2HG1 ILE 67 2HG1 ILE 67 13.045 27.121 10.853 563 1HG2 ILE 67 1HG2 ILE 67 9.729 29.744 10.111 564 2HG2 ILE 67 2HG2 ILE 67 10.969 29.629 8.837 565 3HG2 ILE 67 3HG2 ILE 67 9.926 28.245 9.245 566 1HD1 ILE 67 1HD1 ILE 67 11.070 26.125 9.751 567 2HD1 ILE 67 2HD1 ILE 67 11.549 26.995 8.255 568 3HD1 ILE 67 3HD1 ILE 67 12.635 25.794 8.978 569 H ASN 68 H ASN 68 12.829 30.739 13.554 570 HA ASN 68 HA ASN 68 10.478 32.530 13.526 571 1HB ASN 68 1HB ASN 68 11.957 31.164 15.626 572 2HB ASN 68 2HB ASN 68 11.859 32.890 15.968 573 1HD2 ASN 68 1HD2 ASN 68 9.570 30.636 14.301 574 2HD2 ASN 68 2HD2 ASN 68 8.208 31.023 15.327 575 HA PRO 69 HA PRO 69 13.394 36.035 13.331 576 1HB PRO 69 1HB PRO 69 15.940 35.837 12.367 577 2HB PRO 69 2HB PRO 69 15.557 35.325 14.032 578 1HG PRO 69 1HG PRO 69 16.149 33.574 11.683 579 2HG PRO 69 2HG PRO 69 16.316 33.258 13.420 580 1HD PRO 69 1HD PRO 69 14.064 32.572 11.666 581 2HD PRO 69 2HD PRO 69 14.354 32.167 13.393 582 H GLU 70 H GLU 70 14.783 34.379 10.581 583 HA GLU 70 HA GLU 70 14.132 36.477 8.790 584 1HB GLU 70 1HB GLU 70 15.067 33.554 8.552 585 2HB GLU 70 2HB GLU 70 14.304 34.168 7.133 586 1HG GLU 70 1HG GLU 70 15.781 36.220 7.078 587 2HG GLU 70 2HG GLU 70 16.496 35.810 8.614 588 H ASN 71 H ASN 71 12.292 33.727 9.923 589 HA ASN 71 HA ASN 71 10.033 34.700 8.228 590 1HB ASN 71 1HB ASN 71 11.078 32.041 8.308 591 2HB ASN 71 2HB ASN 71 9.728 31.972 9.392 592 1HD2 ASN 71 1HD2 ASN 71 7.767 31.800 8.613 593 2HD2 ASN 71 2HD2 ASN 71 7.348 31.940 6.902 594 H ARG 72 H ARG 72 10.813 36.065 10.529 595 HA ARG 72 HA ARG 72 8.932 35.398 12.655 596 1HB ARG 72 1HB ARG 72 11.075 36.821 12.905 597 2HB ARG 72 2HB ARG 72 10.211 38.140 12.162 598 1HG ARG 72 1HG ARG 72 8.685 38.317 13.977 599 2HG ARG 72 2HG ARG 72 9.019 36.678 14.554 600 1HD ARG 72 1HD ARG 72 11.037 38.950 14.611 601 2HD ARG 72 2HD ARG 72 10.011 38.455 15.979 602 HE ARG 72 HE ARG 72 11.330 36.155 14.994 603 1HH1 ARG 72 1HH1 ARG 72 12.177 39.162 16.653 604 2HH1 ARG 72 2HH1 ARG 72 13.566 38.493 17.467 605 1HH2 ARG 72 1HH2 ARG 72 13.121 35.254 16.068 606 2HH2 ARG 72 2HH2 ARG 72 14.116 36.222 17.121 607 H ILE 73 H ILE 73 7.372 35.102 10.676 608 HA ILE 73 HA ILE 73 5.361 37.192 10.793 609 HB ILE 73 HB ILE 73 4.995 36.773 8.262 610 1HG1 ILE 73 1HG1 ILE 73 7.081 35.127 8.198 611 2HG1 ILE 73 2HG1 ILE 73 6.602 36.142 6.844 612 1HG2 ILE 73 1HG2 ILE 73 7.136 38.695 9.185 613 2HG2 ILE 73 2HG2 ILE 73 6.206 38.777 7.672 614 3HG2 ILE 73 3HG2 ILE 73 5.381 38.934 9.228 615 1HD1 ILE 73 1HD1 ILE 73 8.900 36.815 8.729 616 2HD1 ILE 73 2HD1 ILE 73 9.011 36.201 7.072 617 3HD1 ILE 73 3HD1 ILE 73 8.368 37.799 7.361 618 H ILE 74 H ILE 74 5.721 34.913 12.217 619 HA ILE 74 HA ILE 74 3.726 32.954 11.186 620 HB ILE 74 HB ILE 74 5.762 32.701 13.430 621 1HG1 ILE 74 1HG1 ILE 74 5.840 30.942 10.984 622 2HG1 ILE 74 2HG1 ILE 74 6.517 32.555 10.853 623 1HG2 ILE 74 1HG2 ILE 74 3.840 30.648 12.202 624 2HG2 ILE 74 2HG2 ILE 74 5.015 30.311 13.475 625 3HG2 ILE 74 3HG2 ILE 74 3.659 31.397 13.798 626 1HD1 ILE 74 1HD1 ILE 74 8.231 30.893 11.491 627 2HD1 ILE 74 2HD1 ILE 74 8.048 32.130 12.739 628 3HD1 ILE 74 3HD1 ILE 74 7.352 30.512 12.973 629 HA PRO 75 HA PRO 75 1.303 35.226 13.990 630 1HB PRO 75 1HB PRO 75 -0.851 33.622 14.645 631 2HB PRO 75 2HB PRO 75 -0.609 34.440 13.075 632 1HG PRO 75 1HG PRO 75 0.167 31.593 13.804 633 2HG PRO 75 2HG PRO 75 -0.746 32.189 12.392 634 1HD PRO 75 1HD PRO 75 1.887 31.704 12.196 635 2HD PRO 75 2HD PRO 75 1.146 33.135 11.402 636 H HIS 76 H HIS 76 1.872 35.553 16.331 637 HA HIS 76 HA HIS 76 1.759 33.212 18.145 638 1HB HIS 76 1HB HIS 76 3.956 33.819 19.110 639 2HB HIS 76 2HB HIS 76 4.035 33.189 17.466 640 HD1 HIS 76 HD1 HIS 76 4.049 36.605 19.202 641 HD2 HIS 76 HD2 HIS 76 5.511 34.719 15.773 642 HE1 HIS 76 HE1 HIS 76 5.555 38.285 17.999 643 H LEU 77 H LEU 77 -0.279 34.731 18.217 644 HA LEU 77 HA LEU 77 0.116 36.919 20.177 645 1HB LEU 77 1HB LEU 77 -2.001 36.141 18.203 646 2HB LEU 77 2HB LEU 77 -2.511 36.992 19.653 647 HG LEU 77 HG LEU 77 -0.822 38.788 19.186 648 1HD1 LEU 77 1HD1 LEU 77 -0.565 37.318 16.521 649 2HD1 LEU 77 2HD1 LEU 77 -0.010 38.978 16.817 650 3HD1 LEU 77 3HD1 LEU 77 0.735 37.638 17.693 651 1HD2 LEU 77 1HD2 LEU 77 -3.243 38.986 18.603 652 2HD2 LEU 77 2HD2 LEU 77 -2.173 39.929 17.554 653 3HD2 LEU 77 3HD2 LEU 77 -2.863 38.409 16.966 654 HA PRO 78 HA PRO 78 -1.259 34.473 23.562 655 1HB PRO 78 1HB PRO 78 -2.411 36.293 25.240 656 2HB PRO 78 2HB PRO 78 -0.683 36.358 24.799 657 1HG PRO 78 1HG PRO 78 -2.977 37.874 23.514 658 2HG PRO 78 2HG PRO 78 -1.463 38.555 24.186 659 1HD PRO 78 1HD PRO 78 -1.699 38.013 21.544 660 2HD PRO 78 2HD PRO 78 -0.173 37.659 22.404 661 H ALA 79 H ALA 79 -3.282 34.319 25.147 662 HA ALA 79 HA ALA 79 -5.493 33.366 23.530 663 1HB ALA 79 1HB ALA 79 -4.531 31.983 25.270 664 2HB ALA 79 2HB ALA 79 -4.844 33.230 26.498 665 3HB ALA 79 3HB ALA 79 -6.188 32.359 25.745 666 HA PRO 80 HA PRO 80 -8.256 36.720 24.135 667 1HB PRO 80 1HB PRO 80 -10.723 35.606 23.986 668 2HB PRO 80 2HB PRO 80 -9.520 35.413 22.683 669 1HG PRO 80 1HG PRO 80 -9.954 33.515 25.032 670 2HG PRO 80 2HG PRO 80 -10.174 33.105 23.315 671 1HD PRO 80 1HD PRO 80 -7.829 32.648 24.456 672 2HD PRO 80 2HD PRO 80 -7.846 33.447 22.863 673 H LYS 81 H LYS 81 -7.130 36.422 26.622 674 HA LYS 81 HA LYS 81 -9.355 37.253 28.317 675 1HB LYS 81 1HB LYS 81 -8.931 35.763 30.119 676 2HB LYS 81 2HB LYS 81 -9.377 34.862 28.659 677 1HG LYS 81 1HG LYS 81 -6.972 34.367 28.234 678 2HG LYS 81 2HG LYS 81 -6.532 35.175 29.751 679 1HD LYS 81 1HD LYS 81 -8.502 32.865 29.532 680 2HD LYS 81 2HD LYS 81 -6.761 32.664 29.837 681 1HE LYS 81 1HE LYS 81 -6.981 34.055 31.911 682 2HE LYS 81 2HE LYS 81 -8.731 34.153 31.646 683 1HZ LYS 81 1HZ LYS 81 -8.187 32.450 33.184 684 2HZ LYS 81 2HZ LYS 81 -8.840 31.781 31.831 685 3HZ LYS 81 3HZ LYS 81 -7.215 31.684 32.099 686 H TRP 82 H TRP 82 -6.855 38.296 27.070 687 HA TRP 82 HA TRP 82 -5.345 39.257 29.445 688 1HB TRP 82 1HB TRP 82 -4.935 39.432 26.435 689 2HB TRP 82 2HB TRP 82 -4.020 40.385 27.599 690 HD1 TRP 82 HD1 TRP 82 -4.819 36.606 27.949 691 HE1 TRP 82 HE1 TRP 82 -2.598 35.320 28.127 692 HE3 TRP 82 HE3 TRP 82 -1.543 40.481 27.207 693 HZ2 TRP 82 HZ2 TRP 82 0.195 35.878 27.970 694 HZ3 TRP 82 HZ3 TRP 82 0.894 40.060 27.226 695 HH2 TRP 82 HH2 TRP 82 1.774 37.770 27.608 696 H PHE 83 H PHE 83 -7.451 40.269 26.762 697 HA PHE 83 HA PHE 83 -8.168 42.761 28.213 698 1HB PHE 83 1HB PHE 83 -7.509 42.558 25.263 699 2HB PHE 83 2HB PHE 83 -7.983 44.021 26.135 700 HD1 PHE 83 HD1 PHE 83 -6.396 44.784 28.083 701 HD2 PHE 83 HD2 PHE 83 -5.225 42.044 24.960 702 HE1 PHE 83 HE1 PHE 83 -4.008 45.277 28.536 703 HE2 PHE 83 HE2 PHE 83 -2.844 42.543 25.420 704 HZ PHE 83 HZ PHE 83 -2.230 44.159 27.207 705 H ASP 84 H ASP 84 -9.627 40.502 28.371 706 HA ASP 84 HA ASP 84 -11.474 39.554 26.762 707 1HB ASP 84 1HB ASP 84 -11.293 39.143 29.307 708 2HB ASP 84 2HB ASP 84 -12.159 40.640 29.583 709 H GLY 85 H GLY 85 -12.125 40.981 25.067 710 1HA GLY 85 1HA GLY 85 -14.592 42.186 25.176 711 2HA GLY 85 2HA GLY 85 -13.411 43.484 25.468 712 H GLN 86 H GLN 86 -13.496 44.514 23.332 713 HA GLN 86 HA GLN 86 -13.679 43.056 20.917 714 1HB GLN 86 1HB GLN 86 -12.610 45.867 21.456 715 2HB GLN 86 2HB GLN 86 -12.987 45.214 19.854 716 1HG GLN 86 1HG GLN 86 -15.361 44.887 20.546 717 2HG GLN 86 2HG GLN 86 -14.989 45.598 22.125 718 1HE2 GLN 86 1HE2 GLN 86 -14.908 46.300 18.588 719 2HE2 GLN 86 2HE2 GLN 86 -15.156 48.025 18.774 720 H ARG 87 H ARG 87 -10.964 43.551 22.935 721 HA ARG 87 HA ARG 87 -9.059 42.954 20.754 722 1HB ARG 87 1HB ARG 87 -8.861 43.668 23.768 723 2HB ARG 87 2HB ARG 87 -7.442 43.065 22.922 724 1HG ARG 87 1HG ARG 87 -7.623 44.883 21.257 725 2HG ARG 87 2HG ARG 87 -9.061 45.510 22.083 726 1HD ARG 87 1HD ARG 87 -7.706 45.932 24.132 727 2HD ARG 87 2HD ARG 87 -6.306 45.190 23.360 728 HE ARG 87 HE ARG 87 -5.867 47.081 22.189 729 1HH1 ARG 87 1HH1 ARG 87 -9.171 47.345 23.432 730 2HH1 ARG 87 2HH1 ARG 87 -9.376 49.003 22.933 731 1HH2 ARG 87 1HH2 ARG 87 -6.127 49.260 21.532 732 2HH2 ARG 87 2HH2 ARG 87 -7.620 50.100 21.839 733 H ALA 88 H ALA 88 -11.090 41.213 22.735 734 HA ALA 88 HA ALA 88 -9.384 38.799 22.819 735 1HB ALA 88 1HB ALA 88 -11.230 37.768 24.023 736 2HB ALA 88 2HB ALA 88 -10.706 39.274 24.784 737 3HB ALA 88 3HB ALA 88 -12.216 39.220 23.828 738 H ALA 89 H ALA 89 -11.967 40.351 21.164 739 HA ALA 89 HA ALA 89 -12.765 38.112 19.488 740 1HB ALA 89 1HB ALA 89 -14.167 39.771 18.369 741 2HB ALA 89 2HB ALA 89 -14.337 39.916 20.125 742 3HB ALA 89 3HB ALA 89 -13.354 41.092 19.233 743 H GLU 90 H GLU 90 -11.176 41.221 18.880 744 HA GLU 90 HA GLU 90 -10.198 40.636 16.254 745 1HB GLU 90 1HB GLU 90 -10.619 42.894 17.307 746 2HB GLU 90 2HB GLU 90 -9.168 42.661 18.298 747 1HG GLU 90 1HG GLU 90 -7.765 42.678 16.286 748 2HG GLU 90 2HG GLU 90 -9.209 42.727 15.253 749 H ASN 91 H ASN 91 -9.032 39.410 19.199 750 HA ASN 91 HA ASN 91 -6.226 39.142 18.304 751 1HB ASN 91 1HB ASN 91 -6.666 39.048 20.809 752 2HB ASN 91 2HB ASN 91 -7.944 37.872 20.604 753 1HD2 ASN 91 1HD2 ASN 91 -4.574 38.332 21.152 754 2HD2 ASN 91 2HD2 ASN 91 -4.195 36.614 21.208 755 H ARG 92 H ARG 92 -8.867 36.816 19.021 756 HA ARG 92 HA ARG 92 -7.781 34.802 17.372 757 1HB ARG 92 1HB ARG 92 -10.625 35.370 18.311 758 2HB ARG 92 2HB ARG 92 -10.150 33.859 17.531 759 1HG ARG 92 1HG ARG 92 -8.663 33.244 19.289 760 2HG ARG 92 2HG ARG 92 -8.776 34.825 20.073 761 1HD ARG 92 1HD ARG 92 -11.176 32.991 19.681 762 2HD ARG 92 2HD ARG 92 -10.165 33.042 21.140 763 HE ARG 92 HE ARG 92 -10.932 35.699 20.561 764 1HH1 ARG 92 1HH1 ARG 92 -12.381 32.689 21.756 765 2HH1 ARG 92 2HH1 ARG 92 -13.615 33.508 22.673 766 1HH2 ARG 92 1HH2 ARG 92 -12.514 36.745 21.700 767 2HH2 ARG 92 2HH2 ARG 92 -13.701 35.883 22.649 768 H GLN 93 H GLN 93 -9.938 37.416 16.557 769 HA GLN 93 HA GLN 93 -10.580 36.235 13.948 770 1HB GLN 93 1HB GLN 93 -11.109 39.013 14.997 771 2HB GLN 93 2HB GLN 93 -11.626 38.427 13.412 772 1HG GLN 93 1HG GLN 93 -12.947 36.644 14.382 773 2HG GLN 93 2HG GLN 93 -12.457 37.083 16.017 774 1HE2 GLN 93 1HE2 GLN 93 -12.696 39.808 16.132 775 2HE2 GLN 93 2HE2 GLN 93 -14.356 40.280 15.820 776 H GLY 94 H GLY 94 -7.751 37.752 15.048 777 1HA GLY 94 1HA GLY 94 -6.976 38.540 12.233 778 2HA GLY 94 2HA GLY 94 -6.249 39.158 13.714 779 H THR 95 H THR 95 -6.033 36.828 15.212 780 HA THR 95 HA THR 95 -3.635 35.671 14.234 781 HB THR 95 HB THR 95 -5.610 34.855 16.453 782 HG1 THR 95 HG1 THR 95 -3.231 36.385 16.459 783 1HG2 THR 95 1HG2 THR 95 -3.697 33.667 17.541 784 2HG2 THR 95 2HG2 THR 95 -4.159 32.898 16.020 785 3HG2 THR 95 3HG2 THR 95 -2.714 33.928 16.094 786 H LEU 96 H LEU 96 -6.975 34.387 14.314 787 HA LEU 96 HA LEU 96 -5.948 31.960 13.160 788 1HB LEU 96 1HB LEU 96 -8.132 32.014 14.398 789 2HB LEU 96 2HB LEU 96 -8.822 32.933 13.053 790 HG LEU 96 HG LEU 96 -8.175 30.948 11.471 791 1HD1 LEU 96 1HD1 LEU 96 -7.954 28.745 12.739 792 2HD1 LEU 96 2HD1 LEU 96 -6.518 29.753 13.000 793 3HD1 LEU 96 3HD1 LEU 96 -7.814 29.681 14.216 794 1HD2 LEU 96 1HD2 LEU 96 -10.386 31.333 12.328 795 2HD2 LEU 96 2HD2 LEU 96 -10.024 29.568 12.358 796 3HD2 LEU 96 3HD2 LEU 96 -9.877 30.512 13.828 797 H THR 97 H THR 97 -7.597 34.802 11.990 798 HA THR 97 HA THR 97 -7.794 34.262 9.208 799 HB THR 97 HB THR 97 -7.416 36.807 10.859 800 HG1 THR 97 HG1 THR 97 -9.510 36.956 10.607 801 1HG2 THR 97 1HG2 THR 97 -7.882 38.216 8.982 802 2HG2 THR 97 2HG2 THR 97 -6.292 37.455 8.920 803 3HG2 THR 97 3HG2 THR 97 -7.607 36.834 7.880 804 H GLU 98 H GLU 98 -4.988 35.255 11.065 805 HA GLU 98 HA GLU 98 -3.423 35.325 8.559 806 1HB GLU 98 1HB GLU 98 -3.119 37.040 10.505 807 2HB GLU 98 2HB GLU 98 -2.467 35.687 11.449 808 1HG GLU 98 1HG GLU 98 -0.764 35.388 9.567 809 2HG GLU 98 2HG GLU 98 -1.379 36.908 8.889 810 H TYR 99 H TYR 99 -3.796 33.256 11.416 811 HA TYR 99 HA TYR 99 -1.638 31.747 10.490 812 1HB TYR 99 1HB TYR 99 -2.813 31.327 12.846 813 2HB TYR 99 2HB TYR 99 -3.799 30.201 11.952 814 HD1 TYR 99 HD1 TYR 99 -0.360 30.130 10.478 815 HD2 TYR 99 HD2 TYR 99 -2.736 28.657 13.812 816 HE1 TYR 99 HE1 TYR 99 1.261 28.372 10.901 817 HE2 TYR 99 HE2 TYR 99 -1.047 26.912 14.165 818 HH TYR 99 HH TYR 99 1.787 26.547 11.977 819 H CYS 100 H CYS 100 -5.032 31.587 9.542 820 HA CYS 100 HA CYS 100 -4.744 29.075 8.181 821 1HB CYS 100 1HB CYS 100 -6.992 30.244 8.609 822 2HB CYS 100 2HB CYS 100 -6.561 31.423 7.351 823 HG CYS 100 HG CYS 100 -6.207 29.647 5.456 824 H SER 101 H SER 101 -4.310 32.454 7.094 825 HA SER 101 HA SER 101 -3.404 31.677 4.480 826 1HB SER 101 1HB SER 101 -2.759 34.177 6.124 827 2HB SER 101 2HB SER 101 -2.576 34.013 4.365 828 HG SER 101 HG SER 101 -4.864 33.603 4.302 829 H THR 102 H THR 102 -1.708 31.978 7.526 830 HA THR 102 HA THR 102 0.931 31.786 6.352 831 HB THR 102 HB THR 102 0.069 32.014 9.244 832 HG1 THR 102 HG1 THR 102 -0.500 33.794 8.072 833 1HG2 THR 102 1HG2 THR 102 2.318 32.994 9.547 834 2HG2 THR 102 2HG2 THR 102 2.294 31.235 9.363 835 3HG2 THR 102 3HG2 THR 102 2.815 32.296 8.010 836 H LEU 103 H LEU 103 -1.171 29.524 7.969 837 HA LEU 103 HA LEU 103 0.812 27.476 8.181 838 1HB LEU 103 1HB LEU 103 -2.070 27.776 8.624 839 2HB LEU 103 2HB LEU 103 -1.969 26.454 7.739 840 HG LEU 103 HG LEU 103 -0.393 26.451 10.304 841 1HD1 LEU 103 1HD1 LEU 103 -2.570 27.331 10.976 842 2HD1 LEU 103 2HD1 LEU 103 -3.335 25.983 10.132 843 3HD1 LEU 103 3HD1 LEU 103 -2.309 25.678 11.552 844 1HD2 LEU 103 1HD2 LEU 103 -2.248 24.288 9.312 845 2HD2 LEU 103 2HD2 LEU 103 -0.535 24.300 8.801 846 3HD2 LEU 103 3HD2 LEU 103 -0.993 24.158 10.504 847 H MET 104 H MET 104 -1.174 28.717 5.600 848 HA MET 104 HA MET 104 -0.117 26.733 3.657 849 1HB MET 104 1HB MET 104 -2.599 28.044 3.871 850 2HB MET 104 2HB MET 104 -1.715 29.104 2.781 851 1HG MET 104 1HG MET 104 -2.579 27.692 1.215 852 2HG MET 104 2HG MET 104 -1.137 26.753 1.580 853 1HE MET 104 1HE MET 104 -2.480 25.852 4.703 854 2HE MET 104 2HE MET 104 -2.938 24.207 4.233 855 3HE MET 104 3HE MET 104 -1.360 24.844 3.753 856 H SER 105 H SER 105 1.018 29.534 4.931 857 HA SER 105 HA SER 105 2.379 30.295 2.408 858 1HB SER 105 1HB SER 105 1.358 32.183 4.159 859 2HB SER 105 2HB SER 105 2.784 31.717 5.089 860 HG SER 105 HG SER 105 3.129 33.468 3.667 861 H LEU 106 H LEU 106 3.116 29.156 5.754 862 HA LEU 106 HA LEU 106 5.491 29.404 5.949 863 1HB LEU 106 1HB LEU 106 3.926 26.895 6.543 864 2HB LEU 106 2HB LEU 106 5.556 27.175 7.086 865 HG LEU 106 HG LEU 106 3.085 28.349 8.186 866 1HD1 LEU 106 1HD1 LEU 106 5.722 27.528 9.399 867 2HD1 LEU 106 2HD1 LEU 106 4.207 27.898 10.251 868 3HD1 LEU 106 3HD1 LEU 106 4.302 26.472 9.192 869 1HD2 LEU 106 1HD2 LEU 106 5.729 29.853 8.352 870 2HD2 LEU 106 2HD2 LEU 106 4.225 30.451 7.608 871 3HD2 LEU 106 3HD2 LEU 106 4.290 30.135 9.342 872 HA PRO 107 HA PRO 107 7.824 27.468 2.834 873 1HB PRO 107 1HB PRO 107 10.367 27.723 3.662 874 2HB PRO 107 2HB PRO 107 9.374 29.139 3.162 875 1HG PRO 107 1HG PRO 107 9.987 28.158 5.972 876 2HG PRO 107 2HG PRO 107 9.979 29.847 5.396 877 1HD PRO 107 1HD PRO 107 7.898 28.530 6.710 878 2HD PRO 107 2HD PRO 107 7.692 30.002 5.707 879 H THR 108 H THR 108 7.590 26.417 5.959 880 HA THR 108 HA THR 108 9.045 23.853 5.627 881 HB THR 108 HB THR 108 7.710 23.629 7.922 882 HG1 THR 108 HG1 THR 108 7.159 25.620 8.828 883 1HG2 THR 108 1HG2 THR 108 9.882 25.683 7.613 884 2HG2 THR 108 2HG2 THR 108 9.317 25.019 9.160 885 3HG2 THR 108 3HG2 THR 108 10.097 23.944 7.989 886 H LYS 109 H LYS 109 7.341 24.374 3.595 887 HA LYS 109 HA LYS 109 4.791 23.210 4.371 888 1HB LYS 109 1HB LYS 109 5.440 24.829 2.226 889 2HB LYS 109 2HB LYS 109 5.847 23.340 1.412 890 1HG LYS 109 1HG LYS 109 3.621 22.546 1.456 891 2HG LYS 109 2HG LYS 109 3.124 23.680 2.720 892 1HD LYS 109 1HD LYS 109 4.046 24.625 -0.023 893 2HD LYS 109 2HD LYS 109 2.363 24.187 0.319 894 1HE LYS 109 1HE LYS 109 2.256 25.866 2.133 895 2HE LYS 109 2HE LYS 109 3.920 26.367 1.812 896 1HZ LYS 109 1HZ LYS 109 3.288 27.163 -0.286 897 2HZ LYS 109 2HZ LYS 109 1.766 26.528 -0.167 898 3HZ LYS 109 3HZ LYS 109 2.214 27.750 0.830 899 H ILE 110 H ILE 110 7.695 21.811 3.876 900 HA ILE 110 HA ILE 110 6.508 19.163 3.276 901 HB ILE 110 HB ILE 110 9.422 19.994 3.634 902 1HG1 ILE 110 1HG1 ILE 110 7.809 19.474 1.088 903 2HG1 ILE 110 2HG1 ILE 110 8.376 21.054 1.645 904 1HG2 ILE 110 1HG2 ILE 110 8.218 17.403 2.561 905 2HG2 ILE 110 2HG2 ILE 110 9.950 17.785 2.666 906 3HG2 ILE 110 3HG2 ILE 110 9.017 17.591 4.136 907 1HD1 ILE 110 1HD1 ILE 110 10.115 18.770 0.677 908 2HD1 ILE 110 2HD1 ILE 110 9.868 20.360 -0.052 909 3HD1 ILE 110 3HD1 ILE 110 10.740 20.228 1.488 910 H SER 111 H SER 111 7.978 21.035 5.883 911 HA SER 111 HA SER 111 8.019 18.756 7.679 912 1HB SER 111 1HB SER 111 9.762 20.543 7.775 913 2HB SER 111 2HB SER 111 8.518 21.660 8.371 914 HG SER 111 HG SER 111 9.483 20.781 10.152 915 H ARG 112 H ARG 112 6.105 21.691 7.274 916 HA ARG 112 HA ARG 112 4.374 21.025 9.512 917 1HB ARG 112 1HB ARG 112 3.494 23.091 9.376 918 2HB ARG 112 2HB ARG 112 5.037 23.371 8.599 919 1HG ARG 112 1HG ARG 112 3.604 24.480 7.193 920 2HG ARG 112 2HG ARG 112 3.738 22.933 6.355 921 1HD ARG 112 1HD ARG 112 1.540 22.895 8.311 922 2HD ARG 112 2HD ARG 112 1.380 24.274 7.257 923 HE ARG 112 HE ARG 112 1.172 21.427 6.604 924 1HH1 ARG 112 1HH1 ARG 112 1.363 24.725 5.252 925 2HH1 ARG 112 2HH1 ARG 112 0.939 24.211 3.646 926 1HH2 ARG 112 1HH2 ARG 112 0.436 20.826 4.504 927 2HH2 ARG 112 2HH2 ARG 112 0.377 22.000 3.225 928 H CYS 113 H CYS 113 4.474 20.024 6.252 929 HA CYS 113 HA CYS 113 1.837 19.670 5.507 930 1HB CYS 113 1HB CYS 113 3.394 19.042 3.921 931 2HB CYS 113 2HB CYS 113 4.237 17.902 4.972 932 HG CYS 113 HG CYS 113 2.283 16.195 5.095 933 HA PRO 114 HA PRO 114 1.078 15.637 7.949 934 1HB PRO 114 1HB PRO 114 2.908 14.779 9.831 935 2HB PRO 114 2HB PRO 114 2.985 14.275 8.117 936 1HG PRO 114 1HG PRO 114 4.491 16.560 9.430 937 2HG PRO 114 2HG PRO 114 5.165 15.253 8.412 938 1HD PRO 114 1HD PRO 114 4.610 17.635 7.329 939 2HD PRO 114 2HD PRO 114 4.137 16.151 6.455 940 H HIS 115 H HIS 115 2.594 18.372 9.528 941 HA HIS 115 HA HIS 115 1.039 17.908 11.864 942 1HB HIS 115 1HB HIS 115 3.087 19.472 11.625 943 2HB HIS 115 2HB HIS 115 1.901 20.703 11.175 944 HD1 HIS 115 HD1 HIS 115 1.488 17.947 13.844 945 HD2 HIS 115 HD2 HIS 115 1.847 22.122 13.627 946 HE1 HIS 115 HE1 HIS 115 1.105 18.876 16.178 947 H LEU 116 H LEU 116 0.443 20.082 8.963 948 HA LEU 116 HA LEU 116 -1.898 20.829 9.882 949 1HB LEU 116 1HB LEU 116 -0.761 21.633 7.698 950 2HB LEU 116 2HB LEU 116 -1.517 20.269 6.869 951 HG LEU 116 HG LEU 116 -2.620 22.833 7.871 952 1HD1 LEU 116 1HD1 LEU 116 -3.923 20.756 5.929 953 2HD1 LEU 116 2HD1 LEU 116 -4.356 22.439 5.996 954 3HD1 LEU 116 3HD1 LEU 116 -2.803 21.970 5.282 955 1HD2 LEU 116 1HD2 LEU 116 -4.723 22.393 8.222 956 2HD2 LEU 116 2HD2 LEU 116 -4.528 20.632 8.048 957 3HD2 LEU 116 3HD2 LEU 116 -3.714 21.546 9.354 958 H LEU 117 H LEU 117 -1.179 17.997 7.842 959 HA LEU 117 HA LEU 117 -3.835 16.916 7.652 960 1HB LEU 117 1HB LEU 117 -1.155 15.474 7.778 961 2HB LEU 117 2HB LEU 117 -2.708 14.696 7.590 962 HG LEU 117 HG LEU 117 -2.899 16.319 5.364 963 1HD1 LEU 117 1HD1 LEU 117 -0.745 16.170 4.217 964 2HD1 LEU 117 2HD1 LEU 117 -0.838 17.417 5.454 965 3HD1 LEU 117 3HD1 LEU 117 0.046 15.886 5.782 966 1HD2 LEU 117 1HD2 LEU 117 -3.301 13.996 5.522 967 2HD2 LEU 117 2HD2 LEU 117 -2.287 14.513 4.186 968 3HD2 LEU 117 3HD2 LEU 117 -1.526 13.687 5.564 969 H ASP 118 H ASP 118 -1.507 16.662 10.298 970 HA ASP 118 HA ASP 118 -3.423 15.149 11.884 971 1HB ASP 118 1HB ASP 118 -0.808 16.674 12.407 972 2HB ASP 118 2HB ASP 118 -1.668 15.981 13.750 973 H PHE 119 H PHE 119 -3.503 18.363 11.088 974 HA PHE 119 HA PHE 119 -4.579 19.454 13.634 975 1HB PHE 119 1HB PHE 119 -3.119 20.608 11.527 976 2HB PHE 119 2HB PHE 119 -4.729 20.691 10.844 977 HD1 PHE 119 HD1 PHE 119 -4.645 23.193 10.232 978 HD2 PHE 119 HD2 PHE 119 -4.100 21.670 14.230 979 HE1 PHE 119 HE1 PHE 119 -5.088 25.368 11.138 980 HE2 PHE 119 HE2 PHE 119 -4.537 23.957 15.141 981 HZ PHE 119 HZ PHE 119 -5.043 25.806 13.565 982 H PHE 120 H PHE 120 -5.377 18.371 10.561 983 HA PHE 120 HA PHE 120 -8.308 18.777 10.915 984 1HB PHE 120 1HB PHE 120 -6.322 17.889 8.657 985 2HB PHE 120 2HB PHE 120 -8.065 17.995 8.428 986 HD1 PHE 120 HD1 PHE 120 -6.635 19.270 6.491 987 HD2 PHE 120 HD2 PHE 120 -7.478 20.779 10.441 988 HE1 PHE 120 HE1 PHE 120 -6.629 21.601 5.623 989 HE2 PHE 120 HE2 PHE 120 -7.465 23.058 9.596 990 HZ PHE 120 HZ PHE 120 -7.061 23.494 7.185 991 H LYS 121 H LYS 121 -6.239 16.073 9.877 992 HA LYS 121 HA LYS 121 -8.379 14.259 9.842 993 1HB LYS 121 1HB LYS 121 -7.028 12.692 9.084 994 2HB LYS 121 2HB LYS 121 -6.070 14.126 8.717 995 1HG LYS 121 1HG LYS 121 -4.976 13.629 11.052 996 2HG LYS 121 2HG LYS 121 -5.675 12.015 10.850 997 1HD LYS 121 1HD LYS 121 -3.622 13.470 9.162 998 2HD LYS 121 2HD LYS 121 -3.373 11.986 10.064 999 1HE LYS 121 1HE LYS 121 -4.705 10.706 8.463 1000 2HE LYS 121 2HE LYS 121 -5.245 12.184 7.650 1001 1HZ LYS 121 1HZ LYS 121 -2.903 12.600 7.098 1002 2HZ LYS 121 2HZ LYS 121 -2.518 11.085 7.578 1003 3HZ LYS 121 3HZ LYS 121 -3.572 11.315 6.349 1004 H VAL 122 H VAL 122 -6.602 15.455 12.517 1005 HA VAL 122 HA VAL 122 -7.494 13.260 14.244 1006 HB VAL 122 HB VAL 122 -5.708 15.571 14.970 1007 1HG1 VAL 122 1HG1 VAL 122 -6.780 14.497 16.930 1008 2HG1 VAL 122 2HG1 VAL 122 -6.298 12.898 16.331 1009 3HG1 VAL 122 3HG1 VAL 122 -5.068 14.071 16.843 1010 1HG2 VAL 122 1HG2 VAL 122 -4.738 14.162 13.185 1011 2HG2 VAL 122 2HG2 VAL 122 -3.915 13.810 14.699 1012 3HG2 VAL 122 3HG2 VAL 122 -5.152 12.693 14.062 1013 H ARG 123 H ARG 123 -8.019 16.861 13.976 1014 HA ARG 123 HA ARG 123 -9.443 17.869 15.782 1015 1HB ARG 123 1HB ARG 123 -10.898 16.985 13.308 1016 2HB ARG 123 2HB ARG 123 -11.593 18.103 14.499 1017 1HG ARG 123 1HG ARG 123 -9.062 18.518 12.952 1018 2HG ARG 123 2HG ARG 123 -10.598 19.317 12.652 1019 1HD ARG 123 1HD ARG 123 -8.752 19.727 15.054 1020 2HD ARG 123 2HD ARG 123 -9.237 20.842 13.780 1021 HE ARG 123 HE ARG 123 -11.417 21.026 14.648 1022 1HH1 ARG 123 1HH1 ARG 123 -9.245 19.659 17.186 1023 2HH1 ARG 123 2HH1 ARG 123 -10.611 19.464 18.270 1024 1HH2 ARG 123 1HH2 ARG 123 -12.848 21.226 16.332 1025 2HH2 ARG 123 2HH2 ARG 123 -12.458 20.509 17.908 1026 HA PRO 124 HA PRO 124 -11.568 14.551 17.872 1027 1HB PRO 124 1HB PRO 124 -10.696 14.871 20.475 1028 2HB PRO 124 2HB PRO 124 -9.654 14.160 19.215 1029 1HG PRO 124 1HG PRO 124 -9.762 17.078 20.054 1030 2HG PRO 124 2HG PRO 124 -8.318 16.022 19.994 1031 1HD PRO 124 1HD PRO 124 -8.934 17.654 17.941 1032 2HD PRO 124 2HD PRO 124 -8.314 16.025 17.626 1033 H ASP 125 H ASP 125 -12.697 16.861 17.059 1034 HA ASP 125 HA ASP 125 -14.999 16.714 18.700 1035 1HB ASP 125 1HB ASP 125 -14.184 19.498 17.844 1036 2HB ASP 125 2HB ASP 125 -15.342 19.056 19.091 1037 H ASP 126 H ASP 126 -13.573 16.870 15.750 1038 HA ASP 126 HA ASP 126 -15.884 17.909 14.254 1039 1HB ASP 126 1HB ASP 126 -13.776 18.452 13.303 1040 2HB ASP 126 2HB ASP 126 -13.181 16.785 13.484 1041 H LEU 127 H LEU 127 -13.897 14.879 14.663 1042 HA LEU 127 HA LEU 127 -16.294 13.208 14.297 1043 1HB LEU 127 1HB LEU 127 -13.751 13.392 12.571 1044 2HB LEU 127 2HB LEU 127 -14.551 11.875 12.559 1045 HG LEU 127 HG LEU 127 -16.136 14.370 11.555 1046 1HD1 LEU 127 1HD1 LEU 127 -14.855 12.010 10.135 1047 2HD1 LEU 127 2HD1 LEU 127 -15.848 13.293 9.418 1048 3HD1 LEU 127 3HD1 LEU 127 -14.251 13.685 10.099 1049 1HD2 LEU 127 1HD2 LEU 127 -17.597 12.634 12.550 1050 2HD2 LEU 127 2HD2 LEU 127 -17.683 12.647 10.789 1051 3HD2 LEU 127 3HD2 LEU 127 -16.755 11.382 11.609 1052 H LYS 128 H LYS 128 -14.104 13.924 16.396 1053 HA LYS 128 HA LYS 128 -13.864 11.201 17.341 1054 1HB LYS 128 1HB LYS 128 -11.523 13.046 16.521 1055 2HB LYS 128 2HB LYS 128 -11.274 11.974 17.884 1056 1HG LYS 128 1HG LYS 128 -10.596 10.475 16.356 1057 2HG LYS 128 2HG LYS 128 -12.287 10.265 15.892 1058 1HD LYS 128 1HD LYS 128 -11.967 12.191 14.244 1059 2HD LYS 128 2HD LYS 128 -10.259 12.223 14.707 1060 1HE LYS 128 1HE LYS 128 -9.985 9.893 13.932 1061 2HE LYS 128 2HE LYS 128 -11.692 9.855 13.445 1062 1HZ LYS 128 1HZ LYS 128 -11.224 11.636 11.913 1063 2HZ LYS 128 2HZ LYS 128 -9.640 11.684 12.361 1064 3HZ LYS 128 3HZ LYS 128 -10.242 10.347 11.610 1065 H LEU 129 H LEU 129 -15.518 13.106 17.887 1066 HA LEU 129 HA LEU 129 -15.186 14.913 19.933 1067 1HB LEU 129 1HB LEU 129 -17.435 13.005 19.090 1068 2HB LEU 129 2HB LEU 129 -17.795 14.305 20.154 1069 HG LEU 129 HG LEU 129 -16.636 15.179 17.392 1070 1HD1 LEU 129 1HD1 LEU 129 -18.160 13.309 16.905 1071 2HD1 LEU 129 2HD1 LEU 129 -19.405 14.042 17.946 1072 3HD1 LEU 129 3HD1 LEU 129 -18.865 14.882 16.472 1073 1HD2 LEU 129 1HD2 LEU 129 -18.903 16.096 19.247 1074 2HD2 LEU 129 2HD2 LEU 129 -17.300 16.855 19.118 1075 3HD2 LEU 129 3HD2 LEU 129 -18.411 16.842 17.728 1076 HA PRO 130 HA PRO 130 -15.005 12.813 23.756 1077 1HB PRO 130 1HB PRO 130 -17.581 13.928 24.799 1078 2HB PRO 130 2HB PRO 130 -15.939 14.071 25.485 1079 1HG PRO 130 1HG PRO 130 -17.086 16.193 24.234 1080 2HG PRO 130 2HG PRO 130 -15.368 15.796 23.898 1081 1HD PRO 130 1HD PRO 130 -17.820 14.929 22.351 1082 2HD PRO 130 2HD PRO 130 -16.403 15.811 21.716 Start of MODEL 12 1 1H GLY 1 1H GLY 1 1.665 -0.416 -1.978 2 2H GLY 1 2H GLY 1 2.143 0.236 -0.552 3 3H GLY 1 3H GLY 1 2.193 -1.407 -0.761 4 1HA GLY 1 1HA GLY 1 -0.197 -1.484 -0.945 5 2HA GLY 1 2HA GLY 1 0.324 -0.784 0.605 6 H SER 2 H SER 2 -2.171 -0.098 0.014 7 HA SER 2 HA SER 2 -2.579 2.027 -1.767 8 1HB SER 2 1HB SER 2 -4.091 1.405 0.806 9 2HB SER 2 2HB SER 2 -4.701 2.303 -0.600 10 HG SER 2 HG SER 2 -5.333 0.102 -0.654 11 H MET 3 H MET 3 -2.642 4.382 -1.379 12 HA MET 3 HA MET 3 -0.836 5.309 0.691 13 1HB MET 3 1HB MET 3 -0.723 6.134 -1.585 14 2HB MET 3 2HB MET 3 -2.388 6.716 -1.514 15 1HG MET 3 1HG MET 3 -0.591 8.465 -1.257 16 2HG MET 3 2HG MET 3 -1.831 8.466 -0.021 17 1HE MET 3 1HE MET 3 2.508 7.024 0.657 18 2HE MET 3 2HE MET 3 1.350 6.078 -0.300 19 3HE MET 3 3HE MET 3 1.897 7.669 -0.883 20 H GLY 4 H GLY 4 -2.397 4.367 2.388 21 1HA GLY 4 1HA GLY 4 -4.860 5.850 2.959 22 2HA GLY 4 2HA GLY 4 -4.089 4.601 3.960 23 H ASP 5 H ASP 5 -3.341 7.858 2.736 24 HA ASP 5 HA ASP 5 -3.305 9.004 5.337 25 1HB ASP 5 1HB ASP 5 -0.929 7.786 5.241 26 2HB ASP 5 2HB ASP 5 -0.536 8.784 3.861 27 H THR 6 H THR 6 -1.982 9.219 2.101 28 HA THR 6 HA THR 6 -1.652 10.802 0.571 29 HB THR 6 HB THR 6 -3.953 9.890 0.242 30 HG1 THR 6 HG1 THR 6 -4.270 11.330 -1.423 31 1HG2 THR 6 1HG2 THR 6 -4.617 12.700 1.192 32 2HG2 THR 6 2HG2 THR 6 -5.702 11.486 0.485 33 3HG2 THR 6 3HG2 THR 6 -4.925 11.193 2.084 34 H PHE 7 H PHE 7 -2.885 13.250 0.046 35 HA PHE 7 HA PHE 7 -1.604 15.026 2.079 36 1HB PHE 7 1HB PHE 7 -0.884 15.007 -0.817 37 2HB PHE 7 2HB PHE 7 -0.078 15.830 0.481 38 HD1 PHE 7 HD1 PHE 7 -0.377 12.467 -1.265 39 HD2 PHE 7 HD2 PHE 7 0.992 14.202 2.506 40 HE1 PHE 7 HE1 PHE 7 0.928 10.509 -0.787 41 HE2 PHE 7 HE2 PHE 7 2.266 12.210 2.916 42 HZ PHE 7 HZ PHE 7 2.273 10.338 1.290 43 H ILE 8 H ILE 8 -1.627 17.406 1.043 44 HA ILE 8 HA ILE 8 -4.448 17.790 0.300 45 HB ILE 8 HB ILE 8 -2.914 18.815 2.693 46 1HG1 ILE 8 1HG1 ILE 8 -5.631 17.485 2.140 47 2HG1 ILE 8 2HG1 ILE 8 -4.198 16.743 2.895 48 1HG2 ILE 8 1HG2 ILE 8 -3.827 20.881 1.761 49 2HG2 ILE 8 2HG2 ILE 8 -5.466 20.151 1.759 50 3HG2 ILE 8 3HG2 ILE 8 -4.570 20.440 3.259 51 1HD1 ILE 8 1HD1 ILE 8 -5.979 18.867 4.019 52 2HD1 ILE 8 2HD1 ILE 8 -5.650 17.236 4.636 53 3HD1 ILE 8 3HD1 ILE 8 -4.346 18.462 4.657 54 H ARG 9 H ARG 9 -5.167 19.887 -0.244 55 HA ARG 9 HA ARG 9 -3.237 21.200 -2.056 56 1HB ARG 9 1HB ARG 9 -5.683 20.165 -2.742 57 2HB ARG 9 2HB ARG 9 -6.310 21.634 -2.036 58 1HG ARG 9 1HG ARG 9 -4.762 22.952 -3.548 59 2HG ARG 9 2HG ARG 9 -4.240 21.415 -4.266 60 1HD ARG 9 1HD ARG 9 -6.661 20.928 -4.815 61 2HD ARG 9 2HD ARG 9 -7.070 22.572 -4.321 62 HE ARG 9 HE ARG 9 -5.835 21.657 -6.778 63 1HH1 ARG 9 1HH1 ARG 9 -5.948 24.459 -4.613 64 2HH1 ARG 9 2HH1 ARG 9 -5.534 25.607 -5.856 65 1HH2 ARG 9 1HH2 ARG 9 -5.303 23.160 -8.415 66 2HH2 ARG 9 2HH2 ARG 9 -5.162 24.854 -8.046 67 H HIS 10 H HIS 10 -5.978 22.035 0.140 68 HA HIS 10 HA HIS 10 -4.385 23.963 1.524 69 1HB HIS 10 1HB HIS 10 -4.889 25.954 0.402 70 2HB HIS 10 2HB HIS 10 -5.031 24.934 -0.986 71 HD1 HIS 10 HD1 HIS 10 -7.792 23.726 -0.747 72 HD2 HIS 10 HD2 HIS 10 -7.020 27.756 0.081 73 HE1 HIS 10 HE1 HIS 10 -9.992 25.019 -0.997 74 H ILE 11 H ILE 11 -5.748 25.788 2.616 75 HA ILE 11 HA ILE 11 -8.039 24.555 3.928 76 HB ILE 11 HB ILE 11 -6.613 26.860 5.157 77 1HG1 ILE 11 1HG1 ILE 11 -5.350 24.148 4.992 78 2HG1 ILE 11 2HG1 ILE 11 -4.699 25.773 4.799 79 1HG2 ILE 11 1HG2 ILE 11 -7.983 24.392 6.329 80 2HG2 ILE 11 2HG2 ILE 11 -7.404 25.824 7.215 81 3HG2 ILE 11 3HG2 ILE 11 -8.733 25.964 6.107 82 1HD1 ILE 11 1HD1 ILE 11 -4.974 26.231 7.206 83 2HD1 ILE 11 2HD1 ILE 11 -5.590 24.580 7.462 84 3HD1 ILE 11 3HD1 ILE 11 -3.940 24.822 6.938 85 H ALA 12 H ALA 12 -9.918 25.927 4.417 86 HA ALA 12 HA ALA 12 -10.077 28.666 3.401 87 1HB ALA 12 1HB ALA 12 -10.902 27.309 1.494 88 2HB ALA 12 2HB ALA 12 -11.914 26.349 2.582 89 3HB ALA 12 3HB ALA 12 -12.275 28.065 2.324 90 H LEU 13 H LEU 13 -12.317 29.491 4.410 91 HA LEU 13 HA LEU 13 -12.956 27.881 6.695 92 1HB LEU 13 1HB LEU 13 -11.102 29.525 7.179 93 2HB LEU 13 2HB LEU 13 -12.222 30.853 7.016 94 HG LEU 13 HG LEU 13 -12.357 28.676 9.309 95 1HD1 LEU 13 1HD1 LEU 13 -10.706 31.156 8.927 96 2HD1 LEU 13 2HD1 LEU 13 -11.127 30.439 10.462 97 3HD1 LEU 13 3HD1 LEU 13 -10.197 29.490 9.291 98 1HD2 LEU 13 1HD2 LEU 13 -13.365 30.253 10.680 99 2HD2 LEU 13 2HD2 LEU 13 -13.237 31.560 9.501 100 3HD2 LEU 13 3HD2 LEU 13 -14.369 30.206 9.242 101 H LEU 14 H LEU 14 -14.961 28.065 7.626 102 HA LEU 14 HA LEU 14 -16.848 29.350 5.683 103 1HB LEU 14 1HB LEU 14 -16.843 26.783 7.161 104 2HB LEU 14 2HB LEU 14 -18.104 27.700 7.831 105 HG LEU 14 HG LEU 14 -18.961 28.151 5.446 106 1HD1 LEU 14 1HD1 LEU 14 -17.797 26.083 3.922 107 2HD1 LEU 14 2HD1 LEU 14 -17.490 27.804 3.732 108 3HD1 LEU 14 3HD1 LEU 14 -16.413 26.843 4.723 109 1HD2 LEU 14 1HD2 LEU 14 -19.855 25.853 5.134 110 2HD2 LEU 14 2HD2 LEU 14 -18.724 25.270 6.378 111 3HD2 LEU 14 3HD2 LEU 14 -19.974 26.447 6.798 112 H GLY 15 H GLY 15 -16.272 29.110 9.156 113 1HA GLY 15 1HA GLY 15 -16.506 31.860 9.591 114 2HA GLY 15 2HA GLY 15 -18.194 31.375 9.502 115 H PHE 16 H PHE 16 -19.127 31.268 11.349 116 HA PHE 16 HA PHE 16 -17.635 31.128 13.829 117 1HB PHE 16 1HB PHE 16 -19.558 31.878 14.867 118 2HB PHE 16 2HB PHE 16 -19.226 32.822 13.473 119 HD1 PHE 16 HD1 PHE 16 -21.766 30.432 14.995 120 HD2 PHE 16 HD2 PHE 16 -20.821 32.539 11.277 121 HE1 PHE 16 HE1 PHE 16 -23.964 30.007 14.144 122 HE2 PHE 16 HE2 PHE 16 -23.035 32.071 10.500 123 HZ PHE 16 HZ PHE 16 -24.647 30.807 11.897 124 H GLU 17 H GLU 17 -19.313 29.922 15.550 125 HA GLU 17 HA GLU 17 -20.834 27.731 15.005 126 1HB GLU 17 1HB GLU 17 -18.013 26.948 14.942 127 2HB GLU 17 2HB GLU 17 -18.927 26.114 16.210 128 1HG GLU 17 1HG GLU 17 -19.794 26.252 13.314 129 2HG GLU 17 2HG GLU 17 -18.953 24.898 14.053 130 H LYS 18 H LYS 18 -20.901 26.295 17.215 131 HA LYS 18 HA LYS 18 -20.903 28.137 19.493 132 1HB LYS 18 1HB LYS 18 -23.244 27.934 19.859 133 2HB LYS 18 2HB LYS 18 -22.877 28.658 18.294 134 1HG LYS 18 1HG LYS 18 -23.139 25.877 17.752 135 2HG LYS 18 2HG LYS 18 -24.351 26.200 18.965 136 1HD LYS 18 1HD LYS 18 -25.597 26.622 17.089 137 2HD LYS 18 2HD LYS 18 -24.985 28.250 17.380 138 1HE LYS 18 1HE LYS 18 -24.732 27.706 15.022 139 2HE LYS 18 2HE LYS 18 -23.115 27.774 15.740 140 1HZ LYS 18 1HZ LYS 18 -23.082 25.400 15.819 141 2HZ LYS 18 2HZ LYS 18 -24.633 25.280 15.249 142 3HZ LYS 18 3HZ LYS 18 -23.394 25.837 14.314 143 H ARG 19 H ARG 19 -19.706 26.801 20.941 144 HA ARG 19 HA ARG 19 -21.004 24.320 21.903 145 1HB ARG 19 1HB ARG 19 -18.103 24.858 21.219 146 2HB ARG 19 2HB ARG 19 -18.466 23.888 22.641 147 1HG ARG 19 1HG ARG 19 -19.424 23.252 19.825 148 2HG ARG 19 2HG ARG 19 -18.011 22.540 20.611 149 1HD ARG 19 1HD ARG 19 -20.918 22.165 21.443 150 2HD ARG 19 2HD ARG 19 -19.852 20.994 20.691 151 HE ARG 19 HE ARG 19 -19.381 22.164 23.428 152 1HH1 ARG 19 1HH1 ARG 19 -19.538 19.149 21.429 153 2HH1 ARG 19 2HH1 ARG 19 -18.841 18.230 22.761 154 1HH2 ARG 19 1HH2 ARG 19 -18.665 20.819 25.039 155 2HH2 ARG 19 2HH2 ARG 19 -18.432 19.100 24.749 156 H PHE 20 H PHE 20 -22.099 25.185 23.582 157 HA PHE 20 HA PHE 20 -20.924 27.333 25.032 158 1HB PHE 20 1HB PHE 20 -23.358 25.614 25.856 159 2HB PHE 20 2HB PHE 20 -23.378 27.305 26.021 160 HD1 PHE 20 HD1 PHE 20 -24.266 24.379 23.694 161 HD2 PHE 20 HD2 PHE 20 -23.816 28.748 23.604 162 HE1 PHE 20 HE1 PHE 20 -25.505 24.518 21.699 163 HE2 PHE 20 HE2 PHE 20 -25.084 28.777 21.593 164 HZ PHE 20 HZ PHE 20 -25.962 26.691 20.598 165 H VAL 21 H VAL 21 -20.833 23.930 25.205 166 HA VAL 21 HA VAL 21 -20.220 23.973 28.008 167 HB VAL 21 HB VAL 21 -21.428 21.418 27.516 168 1HG1 VAL 21 1HG1 VAL 21 -23.521 22.387 28.338 169 2HG1 VAL 21 2HG1 VAL 21 -22.177 23.144 29.229 170 3HG1 VAL 21 3HG1 VAL 21 -22.976 24.022 27.904 171 1HG2 VAL 21 1HG2 VAL 21 -21.577 21.845 25.232 172 2HG2 VAL 21 2HG2 VAL 21 -23.060 21.376 26.100 173 3HG2 VAL 21 3HG2 VAL 21 -22.847 23.070 25.589 174 HA PRO 22 HA PRO 22 -19.641 21.700 29.206 175 1HB PRO 22 1HB PRO 22 -17.439 20.941 30.593 176 2HB PRO 22 2HB PRO 22 -18.247 19.868 29.412 177 1HG PRO 22 1HG PRO 22 -15.854 21.663 28.921 178 2HG PRO 22 2HG PRO 22 -16.005 19.918 28.548 179 1HD PRO 22 1HD PRO 22 -16.484 21.873 26.711 180 2HD PRO 22 2HD PRO 22 -17.429 20.352 26.716 181 H SER 23 H SER 23 -17.508 23.940 27.995 182 HA SER 23 HA SER 23 -17.817 25.768 30.249 183 1HB SER 23 1HB SER 23 -15.242 25.176 28.571 184 2HB SER 23 2HB SER 23 -15.348 26.584 29.613 185 HG SER 23 HG SER 23 -14.386 24.768 30.634 186 H GLN 24 H GLN 24 -17.557 28.150 29.472 187 HA GLN 24 HA GLN 24 -19.165 28.422 27.146 188 1HB GLN 24 1HB GLN 24 -17.765 30.607 28.625 189 2HB GLN 24 2HB GLN 24 -19.220 30.642 27.657 190 1HG GLN 24 1HG GLN 24 -19.094 29.280 30.512 191 2HG GLN 24 2HG GLN 24 -20.083 30.644 30.124 192 1HE2 GLN 24 1HE2 GLN 24 -19.894 27.310 30.285 193 2HE2 GLN 24 2HE2 GLN 24 -21.287 26.908 29.296 194 H HIS 25 H HIS 25 -18.087 28.293 25.014 195 HA HIS 25 HA HIS 25 -16.048 30.185 24.513 196 1HB HIS 25 1HB HIS 25 -14.673 27.988 23.628 197 2HB HIS 25 2HB HIS 25 -14.397 28.602 25.282 198 HD1 HIS 25 HD1 HIS 25 -17.173 26.368 23.821 199 HD2 HIS 25 HD2 HIS 25 -13.891 26.086 26.410 200 HE1 HIS 25 HE1 HIS 25 -17.184 24.051 24.768 201 H TYR 26 H TYR 26 -17.142 30.901 22.469 202 HA TYR 26 HA TYR 26 -18.297 28.817 20.845 203 1HB TYR 26 1HB TYR 26 -17.763 31.775 20.470 204 2HB TYR 26 2HB TYR 26 -17.956 30.831 19.047 205 HD1 TYR 26 HD1 TYR 26 -20.078 29.876 22.120 206 HD2 TYR 26 HD2 TYR 26 -20.186 32.016 18.294 207 HE1 TYR 26 HE1 TYR 26 -22.435 30.010 22.211 208 HE2 TYR 26 HE2 TYR 26 -22.557 32.102 18.467 209 HH TYR 26 HH TYR 26 -24.376 30.835 21.262 210 H VAL 27 H VAL 27 -17.610 28.287 18.620 211 HA VAL 27 HA VAL 27 -14.660 28.220 18.355 212 HB VAL 27 HB VAL 27 -14.813 25.821 17.876 213 1HG1 VAL 27 1HG1 VAL 27 -16.422 26.270 20.387 214 2HG1 VAL 27 2HG1 VAL 27 -15.329 24.935 20.000 215 3HG1 VAL 27 3HG1 VAL 27 -14.674 26.561 20.276 216 1HG2 VAL 27 1HG2 VAL 27 -16.879 25.634 16.741 217 2HG2 VAL 27 2HG2 VAL 27 -16.876 24.541 18.126 218 3HG2 VAL 27 3HG2 VAL 27 -17.800 26.054 18.221 219 H TYR 28 H TYR 28 -14.021 27.762 15.906 220 HA TYR 28 HA TYR 28 -15.986 29.089 14.307 221 1HB TYR 28 1HB TYR 28 -13.622 29.244 12.842 222 2HB TYR 28 2HB TYR 28 -14.467 30.474 13.787 223 HD1 TYR 28 HD1 TYR 28 -12.263 27.752 15.030 224 HD2 TYR 28 HD2 TYR 28 -12.808 31.953 14.403 225 HE1 TYR 28 HE1 TYR 28 -10.280 28.226 16.452 226 HE2 TYR 28 HE2 TYR 28 -10.828 32.434 15.791 227 HH TYR 28 HH TYR 28 -9.089 31.559 16.992 228 H MET 29 H MET 29 -16.702 28.299 12.394 229 HA MET 29 HA MET 29 -16.209 25.539 11.941 230 1HB MET 29 1HB MET 29 -18.374 26.443 11.571 231 2HB MET 29 2HB MET 29 -17.821 27.529 10.276 232 1HG MET 29 1HG MET 29 -18.886 25.549 9.324 233 2HG MET 29 2HG MET 29 -17.147 25.450 9.023 234 1HE MET 29 1HE MET 29 -17.446 21.815 9.437 235 2HE MET 29 2HE MET 29 -18.338 22.993 8.420 236 3HE MET 29 3HE MET 29 -16.591 23.194 8.704 237 H PHE 30 H PHE 30 -14.425 24.641 10.655 238 HA PHE 30 HA PHE 30 -12.917 26.459 9.090 239 1HB PHE 30 1HB PHE 30 -12.427 24.802 11.359 240 2HB PHE 30 2HB PHE 30 -12.134 23.742 10.042 241 HD1 PHE 30 HD1 PHE 30 -11.162 27.499 10.913 242 HD2 PHE 30 HD2 PHE 30 -9.759 23.657 9.431 243 HE1 PHE 30 HE1 PHE 30 -8.884 28.327 10.697 244 HE2 PHE 30 HE2 PHE 30 -7.501 24.577 9.261 245 HZ PHE 30 HZ PHE 30 -7.062 26.919 9.895 246 H LEU 31 H LEU 31 -12.256 25.646 6.832 247 HA LEU 31 HA LEU 31 -13.532 23.190 6.092 248 1HB LEU 31 1HB LEU 31 -13.784 25.924 5.072 249 2HB LEU 31 2HB LEU 31 -13.111 24.902 3.814 250 HG LEU 31 HG LEU 31 -15.513 25.050 3.658 251 1HD1 LEU 31 1HD1 LEU 31 -15.929 22.715 3.349 252 2HD1 LEU 31 2HD1 LEU 31 -14.238 23.085 2.916 253 3HD1 LEU 31 3HD1 LEU 31 -14.606 22.273 4.452 254 1HD2 LEU 31 1HD2 LEU 31 -15.817 23.456 6.249 255 2HD2 LEU 31 2HD2 LEU 31 -15.871 25.211 6.218 256 3HD2 LEU 31 3HD2 LEU 31 -17.054 24.270 5.289 257 H VAL 32 H VAL 32 -12.331 21.518 5.163 258 HA VAL 32 HA VAL 32 -9.621 22.317 4.327 259 HB VAL 32 HB VAL 32 -9.180 21.162 6.071 260 1HG1 VAL 32 1HG1 VAL 32 -11.346 20.316 6.736 261 2HG1 VAL 32 2HG1 VAL 32 -11.240 19.054 5.479 262 3HG1 VAL 32 3HG1 VAL 32 -10.106 19.057 6.847 263 1HG2 VAL 32 1HG2 VAL 32 -7.941 20.305 4.147 264 2HG2 VAL 32 2HG2 VAL 32 -8.201 19.004 5.332 265 3HG2 VAL 32 3HG2 VAL 32 -9.180 19.065 3.868 266 H LYS 33 H LYS 33 -8.943 21.788 2.232 267 HA LYS 33 HA LYS 33 -10.973 20.326 0.657 268 1HB LYS 33 1HB LYS 33 -10.765 22.744 0.136 269 2HB LYS 33 2HB LYS 33 -9.148 22.379 -0.504 270 1HG LYS 33 1HG LYS 33 -10.093 20.804 -2.123 271 2HG LYS 33 2HG LYS 33 -11.690 20.928 -1.367 272 1HD LYS 33 1HD LYS 33 -11.814 23.323 -1.972 273 2HD LYS 33 2HD LYS 33 -10.257 23.180 -2.822 274 1HE LYS 33 1HE LYS 33 -11.221 21.488 -4.343 275 2HE LYS 33 2HE LYS 33 -12.750 21.514 -3.446 276 1HZ LYS 33 1HZ LYS 33 -13.051 23.781 -4.097 277 2HZ LYS 33 2HZ LYS 33 -11.628 23.786 -4.930 278 3HZ LYS 33 3HZ LYS 33 -12.868 22.823 -5.421 279 H TRP 34 H TRP 34 -10.223 18.160 0.314 280 HA TRP 34 HA TRP 34 -7.317 17.901 0.249 281 1HB TRP 34 1HB TRP 34 -9.531 15.828 0.225 282 2HB TRP 34 2HB TRP 34 -7.818 15.490 0.228 283 HD1 TRP 34 HD1 TRP 34 -10.430 17.102 2.575 284 HE1 TRP 34 HE1 TRP 34 -9.791 16.499 5.006 285 HE3 TRP 34 HE3 TRP 34 -6.052 14.665 1.650 286 HZ2 TRP 34 HZ2 TRP 34 -7.653 15.099 6.381 287 HZ3 TRP 34 HZ3 TRP 34 -4.740 13.707 3.542 288 HH2 TRP 34 HH2 TRP 34 -5.540 13.912 5.878 289 H GLN 35 H GLN 35 -6.330 16.665 -1.625 290 HA GLN 35 HA GLN 35 -7.838 17.298 -4.131 291 1HB GLN 35 1HB GLN 35 -5.616 17.290 -5.277 292 2HB GLN 35 2HB GLN 35 -5.161 17.929 -3.715 293 1HG GLN 35 1HG GLN 35 -4.896 15.011 -4.557 294 2HG GLN 35 2HG GLN 35 -3.663 16.259 -4.620 295 1HE2 GLN 35 1HE2 GLN 35 -5.482 14.139 -2.461 296 2HE2 GLN 35 2HE2 GLN 35 -4.582 14.570 -1.013 297 H ASP 36 H ASP 36 -7.810 14.799 -2.131 298 HA ASP 36 HA ASP 36 -8.476 12.885 -4.264 299 1HB ASP 36 1HB ASP 36 -6.168 12.305 -3.168 300 2HB ASP 36 2HB ASP 36 -6.884 12.460 -1.582 301 H LEU 37 H LEU 37 -8.700 13.312 -0.718 302 HA LEU 37 HA LEU 37 -11.248 12.002 -0.529 303 1HB LEU 37 1HB LEU 37 -9.852 13.875 1.302 304 2HB LEU 37 2HB LEU 37 -11.398 13.127 1.638 305 HG LEU 37 HG LEU 37 -10.242 10.763 1.578 306 1HD1 LEU 37 1HD1 LEU 37 -7.775 10.824 1.787 307 2HD1 LEU 37 2HD1 LEU 37 -8.314 11.255 0.166 308 3HD1 LEU 37 3HD1 LEU 37 -7.778 12.531 1.289 309 1HD2 LEU 37 1HD2 LEU 37 -10.759 11.864 3.577 310 2HD2 LEU 37 2HD2 LEU 37 -9.239 10.951 3.638 311 3HD2 LEU 37 3HD2 LEU 37 -9.195 12.740 3.523 312 H SER 38 H SER 38 -10.486 15.090 -1.812 313 HA SER 38 HA SER 38 -11.826 16.849 -2.565 314 1HB SER 38 1HB SER 38 -13.386 14.757 -3.242 315 2HB SER 38 2HB SER 38 -14.339 15.174 -1.831 316 HG SER 38 HG SER 38 -15.068 16.241 -3.686 317 H GLU 39 H GLU 39 -14.397 17.570 -1.517 318 HA GLU 39 HA GLU 39 -13.415 19.216 0.470 319 1HB GLU 39 1HB GLU 39 -16.039 19.918 0.673 320 2HB GLU 39 2HB GLU 39 -15.466 19.926 -0.983 321 1HG GLU 39 1HG GLU 39 -16.403 17.652 -1.313 322 2HG GLU 39 2HG GLU 39 -17.003 17.688 0.353 323 H LYS 40 H LYS 40 -13.515 19.257 2.766 324 HA LYS 40 HA LYS 40 -15.057 17.179 4.111 325 1HB LYS 40 1HB LYS 40 -12.026 17.397 4.263 326 2HB LYS 40 2HB LYS 40 -12.993 16.598 5.507 327 1HG LYS 40 1HG LYS 40 -12.829 15.752 2.579 328 2HG LYS 40 2HG LYS 40 -11.964 15.014 3.926 329 1HD LYS 40 1HD LYS 40 -14.104 14.387 5.008 330 2HD LYS 40 2HD LYS 40 -15.003 15.081 3.644 331 1HE LYS 40 1HE LYS 40 -13.831 13.537 2.089 332 2HE LYS 40 2HE LYS 40 -13.055 12.756 3.483 333 1HZ LYS 40 1HZ LYS 40 -15.253 12.199 4.277 334 2HZ LYS 40 2HZ LYS 40 -15.944 12.930 2.969 335 3HZ LYS 40 3HZ LYS 40 -15.005 11.595 2.765 336 H VAL 41 H VAL 41 -15.800 18.072 6.148 337 HA VAL 41 HA VAL 41 -14.948 20.833 6.545 338 HB VAL 41 HB VAL 41 -17.017 21.346 7.183 339 1HG1 VAL 41 1HG1 VAL 41 -16.808 20.776 4.771 340 2HG1 VAL 41 2HG1 VAL 41 -17.548 19.199 5.104 341 3HG1 VAL 41 3HG1 VAL 41 -18.462 20.687 5.395 342 1HG2 VAL 41 1HG2 VAL 41 -17.438 19.635 8.878 343 2HG2 VAL 41 2HG2 VAL 41 -18.805 19.740 7.765 344 3HG2 VAL 41 3HG2 VAL 41 -17.625 18.407 7.612 345 H VAL 42 H VAL 42 -14.452 21.605 8.745 346 HA VAL 42 HA VAL 42 -14.543 19.630 10.885 347 HB VAL 42 HB VAL 42 -12.183 19.659 11.446 348 1HG1 VAL 42 1HG1 VAL 42 -11.058 18.595 9.625 349 2HG1 VAL 42 2HG1 VAL 42 -12.737 18.029 9.732 350 3HG1 VAL 42 3HG1 VAL 42 -12.260 19.187 8.467 351 1HG2 VAL 42 1HG2 VAL 42 -10.474 20.825 10.043 352 2HG2 VAL 42 2HG2 VAL 42 -11.793 21.675 9.219 353 3HG2 VAL 42 3HG2 VAL 42 -11.514 21.891 10.978 354 H TYR 43 H TYR 43 -13.762 20.659 13.008 355 HA TYR 43 HA TYR 43 -14.672 23.435 13.058 356 1HB TYR 43 1HB TYR 43 -14.637 21.353 15.169 357 2HB TYR 43 2HB TYR 43 -15.426 22.898 15.246 358 HD1 TYR 43 HD1 TYR 43 -15.561 19.589 13.023 359 HD2 TYR 43 HD2 TYR 43 -17.959 22.977 14.417 360 HE1 TYR 43 HE1 TYR 43 -17.410 18.711 11.999 361 HE2 TYR 43 HE2 TYR 43 -19.808 22.020 13.351 362 HH TYR 43 HH TYR 43 -20.663 20.283 12.090 363 H ARG 44 H ARG 44 -13.536 24.889 14.485 364 HA ARG 44 HA ARG 44 -10.938 23.913 15.606 365 1HB ARG 44 1HB ARG 44 -11.382 25.831 13.377 366 2HB ARG 44 2HB ARG 44 -10.479 26.543 14.700 367 1HG ARG 44 1HG ARG 44 -9.016 25.673 13.031 368 2HG ARG 44 2HG ARG 44 -8.744 24.924 14.614 369 1HD ARG 44 1HD ARG 44 -9.703 22.898 13.982 370 2HD ARG 44 2HD ARG 44 -10.540 23.597 12.567 371 HE ARG 44 HE ARG 44 -7.964 24.057 11.939 372 1HH1 ARG 44 1HH1 ARG 44 -9.698 21.128 12.935 373 2HH1 ARG 44 2HH1 ARG 44 -8.477 20.047 12.301 374 1HH2 ARG 44 1HH2 ARG 44 -6.517 22.654 10.905 375 2HH2 ARG 44 2HH2 ARG 44 -6.789 20.939 10.909 376 H ARG 45 H ARG 45 -10.057 25.416 17.274 377 HA ARG 45 HA ARG 45 -11.795 27.469 18.286 378 1HB ARG 45 1HB ARG 45 -12.007 26.624 20.528 379 2HB ARG 45 2HB ARG 45 -12.723 25.461 19.396 380 1HG ARG 45 1HG ARG 45 -10.798 24.004 19.584 381 2HG ARG 45 2HG ARG 45 -9.924 25.194 20.570 382 1HD ARG 45 1HD ARG 45 -10.744 23.563 22.073 383 2HD ARG 45 2HD ARG 45 -11.692 25.051 22.293 384 HE ARG 45 HE ARG 45 -12.709 22.918 20.475 385 1HH1 ARG 45 1HH1 ARG 45 -12.859 24.320 23.734 386 2HH1 ARG 45 2HH1 ARG 45 -14.427 23.679 24.107 387 1HH2 ARG 45 1HH2 ARG 45 -14.703 21.981 20.992 388 2HH2 ARG 45 2HH2 ARG 45 -15.543 22.364 22.477 389 H PHE 46 H PHE 46 -10.689 28.860 19.885 390 HA PHE 46 HA PHE 46 -8.168 29.532 19.107 391 1HB PHE 46 1HB PHE 46 -8.041 30.851 21.190 392 2HB PHE 46 2HB PHE 46 -9.510 31.066 20.247 393 HD1 PHE 46 HD1 PHE 46 -11.708 30.300 21.078 394 HD2 PHE 46 HD2 PHE 46 -8.122 29.908 23.461 395 HE1 PHE 46 HE1 PHE 46 -13.081 29.906 23.090 396 HE2 PHE 46 HE2 PHE 46 -9.513 29.514 25.470 397 HZ PHE 46 HZ PHE 46 -11.993 29.510 25.292 398 H THR 47 H THR 47 -8.815 27.768 22.125 399 HA THR 47 HA THR 47 -6.088 27.370 22.783 400 HB THR 47 HB THR 47 -7.918 27.153 24.398 401 HG1 THR 47 HG1 THR 47 -6.192 24.940 24.075 402 1HG2 THR 47 1HG2 THR 47 -9.557 25.900 23.033 403 2HG2 THR 47 2HG2 THR 47 -8.497 24.469 23.062 404 3HG2 THR 47 3HG2 THR 47 -9.211 25.080 24.565 405 H GLU 48 H GLU 48 -7.935 25.708 20.338 406 HA GLU 48 HA GLU 48 -6.167 23.387 20.256 407 1HB GLU 48 1HB GLU 48 -8.634 24.287 18.709 408 2HB GLU 48 2HB GLU 48 -7.509 23.202 18.020 409 1HG GLU 48 1HG GLU 48 -8.724 22.843 20.794 410 2HG GLU 48 2HG GLU 48 -9.464 22.180 19.324 411 H ILE 49 H ILE 49 -6.786 26.408 18.389 412 HA ILE 49 HA ILE 49 -4.713 25.857 16.450 413 HB ILE 49 HB ILE 49 -5.917 28.507 17.416 414 1HG1 ILE 49 1HG1 ILE 49 -6.282 28.507 14.830 415 2HG1 ILE 49 2HG1 ILE 49 -6.019 26.775 14.884 416 1HG2 ILE 49 1HG2 ILE 49 -3.548 28.066 15.621 417 2HG2 ILE 49 2HG2 ILE 49 -4.527 29.552 15.575 418 3HG2 ILE 49 3HG2 ILE 49 -3.665 29.117 17.037 419 1HD1 ILE 49 1HD1 ILE 49 -8.106 28.294 16.511 420 2HD1 ILE 49 2HD1 ILE 49 -8.447 27.493 14.973 421 3HD1 ILE 49 3HD1 ILE 49 -7.988 26.519 16.354 422 H TYR 50 H TYR 50 -4.720 27.435 19.651 423 HA TYR 50 HA TYR 50 -1.926 28.040 19.631 424 1HB TYR 50 1HB TYR 50 -3.642 27.326 22.071 425 2HB TYR 50 2HB TYR 50 -2.190 28.255 22.078 426 HD1 TYR 50 HD1 TYR 50 -4.738 29.321 23.404 427 HD2 TYR 50 HD2 TYR 50 -3.478 29.896 19.263 428 HE1 TYR 50 HE1 TYR 50 -6.036 31.340 23.255 429 HE2 TYR 50 HE2 TYR 50 -4.790 31.887 19.176 430 HH TYR 50 HH TYR 50 -6.363 33.305 21.989 431 H GLU 51 H GLU 51 -3.690 25.262 21.047 432 HA GLU 51 HA GLU 51 -1.343 24.041 22.042 433 1HB GLU 51 1HB GLU 51 -3.568 23.350 22.769 434 2HB GLU 51 2HB GLU 51 -3.857 22.556 21.202 435 1HG GLU 51 1HG GLU 51 -1.991 21.021 21.614 436 2HG GLU 51 2HG GLU 51 -1.532 21.911 23.076 437 H PHE 52 H PHE 52 -2.894 23.783 18.861 438 HA PHE 52 HA PHE 52 -1.223 21.792 17.700 439 1HB PHE 52 1HB PHE 52 -3.116 22.591 16.420 440 2HB PHE 52 2HB PHE 52 -2.594 24.228 16.460 441 HD1 PHE 52 HD1 PHE 52 -2.049 20.961 14.831 442 HD2 PHE 52 HD2 PHE 52 -0.347 24.979 14.824 443 HE1 PHE 52 HE1 PHE 52 -0.850 20.484 12.812 444 HE2 PHE 52 HE2 PHE 52 0.812 24.423 12.856 445 HZ PHE 52 HZ PHE 52 0.610 22.216 11.769 446 H HIS 53 H HIS 53 -1.007 25.341 17.335 447 HA HIS 53 HA HIS 53 1.424 25.295 16.089 448 1HB HIS 53 1HB HIS 53 -0.245 27.143 16.272 449 2HB HIS 53 2HB HIS 53 0.418 27.544 17.879 450 HD1 HIS 53 HD1 HIS 53 1.521 26.675 14.421 451 HD2 HIS 53 HD2 HIS 53 2.665 29.396 17.364 452 HE1 HIS 53 HE1 HIS 53 3.297 27.947 13.411 453 H LYS 54 H LYS 54 0.690 25.512 19.430 454 HA LYS 54 HA LYS 54 3.374 25.867 20.412 455 1HB LYS 54 1HB LYS 54 0.897 24.639 21.631 456 2HB LYS 54 2HB LYS 54 2.412 24.679 22.523 457 1HG LYS 54 1HG LYS 54 1.246 27.231 21.360 458 2HG LYS 54 2HG LYS 54 0.694 26.569 22.909 459 1HD LYS 54 1HD LYS 54 3.013 26.644 23.793 460 2HD LYS 54 2HD LYS 54 3.598 27.242 22.236 461 1HE LYS 54 1HE LYS 54 3.403 29.102 23.773 462 2HE LYS 54 2HE LYS 54 2.214 29.288 22.476 463 1HZ LYS 54 1HZ LYS 54 0.545 28.455 23.979 464 2HZ LYS 54 2HZ LYS 54 1.660 28.254 25.177 465 3HZ LYS 54 3HZ LYS 54 1.297 29.765 24.632 466 H THR 55 H THR 55 1.546 22.971 19.555 467 HA THR 55 HA THR 55 3.671 21.152 20.451 468 HB THR 55 HB THR 55 1.328 20.667 18.571 469 HG1 THR 55 HG1 THR 55 0.658 21.202 20.664 470 1HG2 THR 55 1HG2 THR 55 3.175 18.715 19.933 471 2HG2 THR 55 2HG2 THR 55 1.624 18.296 19.154 472 3HG2 THR 55 3HG2 THR 55 2.929 18.981 18.187 473 H LEU 56 H LEU 56 2.864 22.673 17.385 474 HA LEU 56 HA LEU 56 4.851 21.261 15.970 475 1HB LEU 56 1HB LEU 56 3.018 22.980 15.047 476 2HB LEU 56 2HB LEU 56 4.138 24.217 15.484 477 HG LEU 56 HG LEU 56 4.126 23.881 13.231 478 1HD1 LEU 56 1HD1 LEU 56 6.490 23.787 12.830 479 2HD1 LEU 56 2HD1 LEU 56 6.170 24.653 14.360 480 3HD1 LEU 56 3HD1 LEU 56 6.769 22.968 14.334 481 1HD2 LEU 56 1HD2 LEU 56 5.590 21.787 12.337 482 2HD2 LEU 56 2HD2 LEU 56 4.896 20.993 13.748 483 3HD2 LEU 56 3HD2 LEU 56 3.843 21.655 12.487 484 H LYS 57 H LYS 57 5.003 24.390 17.661 485 HA LYS 57 HA LYS 57 7.770 24.621 17.152 486 1HB LYS 57 1HB LYS 57 5.971 25.819 19.332 487 2HB LYS 57 2HB LYS 57 7.624 26.372 19.049 488 1HG LYS 57 1HG LYS 57 6.865 26.895 16.600 489 2HG LYS 57 2HG LYS 57 5.242 26.567 17.138 490 1HD LYS 57 1HD LYS 57 5.434 28.881 17.182 491 2HD LYS 57 2HD LYS 57 5.506 28.401 18.886 492 1HE LYS 57 1HE LYS 57 7.927 28.757 18.917 493 2HE LYS 57 2HE LYS 57 7.963 28.925 17.146 494 1HZ LYS 57 1HZ LYS 57 6.827 30.820 19.063 495 2HZ LYS 57 2HZ LYS 57 8.124 31.032 18.057 496 3HZ LYS 57 3HZ LYS 57 6.612 30.924 17.432 497 H GLU 58 H GLU 58 6.163 22.796 19.569 498 HA GLU 58 HA GLU 58 8.468 22.634 21.295 499 1HB GLU 58 1HB GLU 58 5.805 21.054 21.171 500 2HB GLU 58 2HB GLU 58 7.025 20.598 22.284 501 1HG GLU 58 1HG GLU 58 6.273 23.620 22.262 502 2HG GLU 58 2HG GLU 58 5.194 22.523 23.081 503 H MET 59 H MET 59 6.760 20.312 19.075 504 HA MET 59 HA MET 59 8.784 18.345 19.309 505 1HB MET 59 1HB MET 59 6.988 18.929 16.999 506 2HB MET 59 2HB MET 59 7.771 17.402 17.279 507 1HG MET 59 1HG MET 59 6.323 16.975 19.258 508 2HG MET 59 2HG MET 59 5.492 18.495 18.990 509 1HE MET 59 1HE MET 59 3.831 17.772 15.422 510 2HE MET 59 2HE MET 59 4.343 19.066 16.526 511 3HE MET 59 3HE MET 59 5.537 18.182 15.574 512 H PHE 60 H PHE 60 8.230 20.885 16.808 513 HA PHE 60 HA PHE 60 10.748 20.274 15.511 514 1HB PHE 60 1HB PHE 60 8.707 22.347 14.931 515 2HB PHE 60 2HB PHE 60 10.139 22.017 14.086 516 HD1 PHE 60 HD1 PHE 60 6.702 20.184 14.908 517 HD2 PHE 60 HD2 PHE 60 10.214 20.188 12.286 518 HE1 PHE 60 HE1 PHE 60 5.727 18.558 13.463 519 HE2 PHE 60 HE2 PHE 60 9.152 18.559 10.920 520 HZ PHE 60 HZ PHE 60 6.893 17.712 11.472 521 HA PRO 61 HA PRO 61 11.691 24.056 18.288 522 1HB PRO 61 1HB PRO 61 14.304 23.754 18.910 523 2HB PRO 61 2HB PRO 61 13.016 22.818 19.733 524 1HG PRO 61 1HG PRO 61 14.796 21.929 17.467 525 2HG PRO 61 2HG PRO 61 14.384 21.032 18.956 526 1HD PRO 61 1HD PRO 61 13.179 20.720 16.533 527 2HD PRO 61 2HD PRO 61 12.278 20.418 18.095 528 H ILE 62 H ILE 62 13.067 22.760 15.406 529 HA ILE 62 HA ILE 62 14.608 25.025 14.594 530 HB ILE 62 HB ILE 62 13.333 22.876 12.948 531 1HG1 ILE 62 1HG1 ILE 62 14.716 21.686 14.567 532 2HG1 ILE 62 2HG1 ILE 62 15.507 21.638 12.995 533 1HG2 ILE 62 1HG2 ILE 62 15.627 24.581 12.246 534 2HG2 ILE 62 2HG2 ILE 62 14.938 23.250 11.268 535 3HG2 ILE 62 3HG2 ILE 62 13.963 24.680 11.601 536 1HD1 ILE 62 1HD1 ILE 62 16.231 23.499 15.307 537 2HD1 ILE 62 2HD1 ILE 62 17.132 22.076 14.763 538 3HD1 ILE 62 3HD1 ILE 62 17.022 23.497 13.712 539 H GLU 63 H GLU 63 11.305 23.771 13.877 540 HA GLU 63 HA GLU 63 10.837 25.959 12.119 541 1HB GLU 63 1HB GLU 63 9.261 23.788 12.561 542 2HB GLU 63 2HB GLU 63 8.389 25.032 13.484 543 1HG GLU 63 1HG GLU 63 8.943 26.476 11.225 544 2HG GLU 63 2HG GLU 63 9.021 24.829 10.571 545 H ALA 64 H ALA 64 11.310 25.853 15.443 546 HA ALA 64 HA ALA 64 10.062 28.453 15.882 547 1HB ALA 64 1HB ALA 64 10.517 26.107 17.804 548 2HB ALA 64 2HB ALA 64 9.765 27.647 18.266 549 3HB ALA 64 3HB ALA 64 8.956 26.558 17.106 550 H GLY 65 H GLY 65 12.655 27.918 14.801 551 1HA GLY 65 1HA GLY 65 14.048 29.624 16.639 552 2HA GLY 65 2HA GLY 65 14.717 27.945 16.549 553 H ALA 66 H ALA 66 14.508 27.261 13.940 554 HA ALA 66 HA ALA 66 16.348 29.207 12.776 555 1HB ALA 66 1HB ALA 66 16.818 26.663 12.713 556 2HB ALA 66 2HB ALA 66 15.485 26.603 11.517 557 3HB ALA 66 3HB ALA 66 16.948 27.530 11.167 558 H ILE 67 H ILE 67 13.104 28.379 12.751 559 HA ILE 67 HA ILE 67 12.700 30.054 10.268 560 HB ILE 67 HB ILE 67 10.920 27.892 11.362 561 1HG1 ILE 67 1HG1 ILE 67 13.077 27.868 9.191 562 2HG1 ILE 67 2HG1 ILE 67 13.004 26.851 10.639 563 1HG2 ILE 67 1HG2 ILE 67 9.855 27.981 9.085 564 2HG2 ILE 67 2HG2 ILE 67 9.644 29.461 9.972 565 3HG2 ILE 67 3HG2 ILE 67 10.885 29.379 8.700 566 1HD1 ILE 67 1HD1 ILE 67 11.314 26.579 8.163 567 2HD1 ILE 67 2HD1 ILE 67 12.525 25.472 8.810 568 3HD1 ILE 67 3HD1 ILE 67 11.009 25.703 9.693 569 H ASN 68 H ASN 68 12.810 30.451 13.384 570 HA ASN 68 HA ASN 68 10.328 32.061 13.559 571 1HB ASN 68 1HB ASN 68 12.004 30.802 15.568 572 2HB ASN 68 2HB ASN 68 11.720 32.498 15.946 573 1HD2 ASN 68 1HD2 ASN 68 9.526 30.208 14.233 574 2HD2 ASN 68 2HD2 ASN 68 8.214 30.366 15.370 575 HA PRO 69 HA PRO 69 12.968 35.782 13.811 576 1HB PRO 69 1HB PRO 69 15.690 35.828 13.408 577 2HB PRO 69 2HB PRO 69 14.979 35.371 14.984 578 1HG PRO 69 1HG PRO 69 15.990 33.537 12.809 579 2HG PRO 69 2HG PRO 69 16.241 33.412 14.568 580 1HD PRO 69 1HD PRO 69 14.287 32.025 13.155 581 2HD PRO 69 2HD PRO 69 14.110 32.462 14.892 582 H GLU 70 H GLU 70 14.541 33.833 11.382 583 HA GLU 70 HA GLU 70 14.557 35.980 9.483 584 1HB GLU 70 1HB GLU 70 15.267 34.092 7.834 585 2HB GLU 70 2HB GLU 70 16.018 33.730 9.338 586 1HG GLU 70 1HG GLU 70 15.040 31.613 9.020 587 2HG GLU 70 2HG GLU 70 13.628 32.277 9.753 588 H ASN 71 H ASN 71 12.263 33.522 10.268 589 HA ASN 71 HA ASN 71 10.346 34.743 8.337 590 1HB ASN 71 1HB ASN 71 11.067 31.958 8.607 591 2HB ASN 71 2HB ASN 71 9.588 32.079 9.495 592 1HD2 ASN 71 1HD2 ASN 71 7.932 31.428 8.323 593 2HD2 ASN 71 2HD2 ASN 71 7.694 31.790 6.618 594 H ARG 72 H ARG 72 10.919 36.069 10.643 595 HA ARG 72 HA ARG 72 8.937 35.516 12.693 596 1HB ARG 72 1HB ARG 72 11.060 36.781 13.066 597 2HB ARG 72 2HB ARG 72 10.356 38.165 12.230 598 1HG ARG 72 1HG ARG 72 8.610 38.342 13.935 599 2HG ARG 72 2HG ARG 72 9.088 36.799 14.660 600 1HD ARG 72 1HD ARG 72 10.893 39.241 14.473 601 2HD ARG 72 2HD ARG 72 9.878 38.853 15.881 602 HE ARG 72 HE ARG 72 11.345 36.542 15.365 603 1HH1 ARG 72 1HH1 ARG 72 12.080 39.895 16.236 604 2HH1 ARG 72 2HH1 ARG 72 13.521 39.501 17.131 605 1HH2 ARG 72 1HH2 ARG 72 13.225 36.007 16.578 606 2HH2 ARG 72 2HH2 ARG 72 14.186 37.258 17.313 607 H ILE 73 H ILE 73 7.327 35.188 10.810 608 HA ILE 73 HA ILE 73 5.386 37.364 10.890 609 HB ILE 73 HB ILE 73 4.832 37.023 8.500 610 1HG1 ILE 73 1HG1 ILE 73 6.320 34.845 8.362 611 2HG1 ILE 73 2HG1 ILE 73 6.013 35.869 6.962 612 1HG2 ILE 73 1HG2 ILE 73 6.451 38.566 7.585 613 2HG2 ILE 73 2HG2 ILE 73 5.955 39.034 9.218 614 3HG2 ILE 73 3HG2 ILE 73 7.544 38.296 8.957 615 1HD1 ILE 73 1HD1 ILE 73 8.385 35.102 7.204 616 2HD1 ILE 73 2HD1 ILE 73 8.209 36.847 7.042 617 3HD1 ILE 73 3HD1 ILE 73 8.537 36.147 8.627 618 H ILE 74 H ILE 74 5.995 34.652 12.100 619 HA ILE 74 HA ILE 74 3.882 32.914 11.074 620 HB ILE 74 HB ILE 74 5.729 32.667 13.473 621 1HG1 ILE 74 1HG1 ILE 74 5.777 30.891 11.030 622 2HG1 ILE 74 2HG1 ILE 74 6.579 32.451 10.949 623 1HG2 ILE 74 1HG2 ILE 74 3.722 30.698 12.260 624 2HG2 ILE 74 2HG2 ILE 74 4.899 30.313 13.524 625 3HG2 ILE 74 3HG2 ILE 74 3.591 31.462 13.853 626 1HD1 ILE 74 1HD1 ILE 74 7.226 30.364 13.084 627 2HD1 ILE 74 2HD1 ILE 74 8.119 30.618 11.586 628 3HD1 ILE 74 3HD1 ILE 74 8.062 31.905 12.797 629 HA PRO 75 HA PRO 75 1.172 35.351 13.528 630 1HB PRO 75 1HB PRO 75 -1.266 34.249 13.142 631 2HB PRO 75 2HB PRO 75 -0.292 35.051 11.882 632 1HG PRO 75 1HG PRO 75 -0.455 32.095 12.443 633 2HG PRO 75 2HG PRO 75 -0.607 32.968 10.875 634 1HD PRO 75 1HD PRO 75 1.758 31.828 11.738 635 2HD PRO 75 2HD PRO 75 1.690 33.302 10.717 636 H HIS 76 H HIS 76 2.566 34.227 15.396 637 HA HIS 76 HA HIS 76 0.980 32.364 17.103 638 1HB HIS 76 1HB HIS 76 3.104 32.102 18.345 639 2HB HIS 76 2HB HIS 76 3.086 31.570 16.663 640 HD1 HIS 76 HD1 HIS 76 3.942 35.027 18.085 641 HD2 HIS 76 HD2 HIS 76 5.543 31.983 15.704 642 HE1 HIS 76 HE1 HIS 76 6.205 35.845 17.223 643 H LEU 77 H LEU 77 -0.562 34.275 17.467 644 HA LEU 77 HA LEU 77 0.407 36.288 19.365 645 1HB LEU 77 1HB LEU 77 -2.269 35.724 18.041 646 2HB LEU 77 2HB LEU 77 -2.106 36.867 19.365 647 HG LEU 77 HG LEU 77 -0.234 38.006 17.993 648 1HD1 LEU 77 1HD1 LEU 77 -1.605 36.402 15.782 649 2HD1 LEU 77 2HD1 LEU 77 -0.556 37.808 15.513 650 3HD1 LEU 77 3HD1 LEU 77 0.117 36.344 16.226 651 1HD2 LEU 77 1HD2 LEU 77 -3.114 38.151 17.030 652 2HD2 LEU 77 2HD2 LEU 77 -2.436 38.998 18.435 653 3HD2 LEU 77 3HD2 LEU 77 -1.863 39.386 16.806 654 HA PRO 78 HA PRO 78 -0.648 33.958 22.985 655 1HB PRO 78 1HB PRO 78 -1.038 35.888 24.873 656 2HB PRO 78 2HB PRO 78 0.534 35.663 24.061 657 1HG PRO 78 1HG PRO 78 -1.660 37.615 23.291 658 2HG PRO 78 2HG PRO 78 0.059 37.991 23.626 659 1HD PRO 78 1HD PRO 78 -0.831 37.596 21.097 660 2HD PRO 78 2HD PRO 78 0.760 36.960 21.607 661 H ALA 79 H ALA 79 -2.373 34.055 24.916 662 HA ALA 79 HA ALA 79 -4.988 33.759 23.661 663 1HB ALA 79 1HB ALA 79 -5.613 32.771 25.802 664 2HB ALA 79 2HB ALA 79 -4.128 32.041 25.148 665 3HB ALA 79 3HB ALA 79 -4.030 33.215 26.483 666 HA PRO 80 HA PRO 80 -5.938 37.897 25.360 667 1HB PRO 80 1HB PRO 80 -8.053 38.546 23.954 668 2HB PRO 80 2HB PRO 80 -6.508 38.253 23.117 669 1HG PRO 80 1HG PRO 80 -8.753 36.211 23.459 670 2HG PRO 80 2HG PRO 80 -7.974 36.687 21.943 671 1HD PRO 80 1HD PRO 80 -7.153 34.535 23.407 672 2HD PRO 80 2HD PRO 80 -5.997 35.541 22.468 673 H LYS 81 H LYS 81 -6.294 36.718 27.431 674 HA LYS 81 HA LYS 81 -9.057 37.072 28.315 675 1HB LYS 81 1HB LYS 81 -9.091 34.943 29.505 676 2HB LYS 81 2HB LYS 81 -9.138 34.754 27.737 677 1HG LYS 81 1HG LYS 81 -6.981 33.863 27.614 678 2HG LYS 81 2HG LYS 81 -6.454 34.650 29.102 679 1HD LYS 81 1HD LYS 81 -6.591 32.335 29.512 680 2HD LYS 81 2HD LYS 81 -7.822 33.165 30.472 681 1HE LYS 81 1HE LYS 81 -8.436 31.808 27.795 682 2HE LYS 81 2HE LYS 81 -8.457 30.929 29.331 683 1HZ LYS 81 1HZ LYS 81 -10.149 33.243 28.718 684 2HZ LYS 81 2HZ LYS 81 -10.625 31.670 28.766 685 3HZ LYS 81 3HZ LYS 81 -10.120 32.417 30.140 686 H TRP 82 H TRP 82 -7.015 38.740 28.579 687 HA TRP 82 HA TRP 82 -6.396 38.634 31.495 688 1HB TRP 82 1HB TRP 82 -4.682 39.570 29.159 689 2HB TRP 82 2HB TRP 82 -4.315 39.883 30.860 690 HD1 TRP 82 HD1 TRP 82 -4.017 37.179 28.211 691 HE1 TRP 82 HE1 TRP 82 -2.766 35.156 29.150 692 HE3 TRP 82 HE3 TRP 82 -3.884 38.482 33.193 693 HZ2 TRP 82 HZ2 TRP 82 -1.833 34.211 31.670 694 HZ3 TRP 82 HZ3 TRP 82 -2.800 36.980 34.818 695 HH2 TRP 82 HH2 TRP 82 -1.771 34.845 34.078 696 H PHE 83 H PHE 83 -8.685 39.432 30.996 697 HA PHE 83 HA PHE 83 -10.205 41.037 31.232 698 1HB PHE 83 1HB PHE 83 -8.464 41.938 32.858 699 2HB PHE 83 2HB PHE 83 -7.982 43.073 31.603 700 HD1 PHE 83 HD1 PHE 83 -10.935 41.896 33.611 701 HD2 PHE 83 HD2 PHE 83 -9.170 45.144 31.389 702 HE1 PHE 83 HE1 PHE 83 -12.746 43.409 34.375 703 HE2 PHE 83 HE2 PHE 83 -10.983 46.650 32.157 704 HZ PHE 83 HZ PHE 83 -12.774 45.786 33.649 705 H ASP 84 H ASP 84 -9.754 40.217 28.680 706 HA ASP 84 HA ASP 84 -9.481 42.569 26.957 707 1HB ASP 84 1HB ASP 84 -9.705 39.470 26.602 708 2HB ASP 84 2HB ASP 84 -9.661 40.533 25.211 709 H GLY 85 H GLY 85 -11.255 41.618 25.004 710 1HA GLY 85 1HA GLY 85 -13.914 41.122 25.631 711 2HA GLY 85 2HA GLY 85 -13.713 42.860 25.797 712 H GLN 86 H GLN 86 -13.532 44.026 23.802 713 HA GLN 86 HA GLN 86 -14.103 42.681 21.299 714 1HB GLN 86 1HB GLN 86 -13.062 45.504 21.839 715 2HB GLN 86 2HB GLN 86 -13.635 44.893 20.276 716 1HG GLN 86 1HG GLN 86 -15.858 44.372 21.345 717 2HG GLN 86 2HG GLN 86 -15.309 45.206 22.807 718 1HE2 GLN 86 1HE2 GLN 86 -14.199 47.507 22.144 719 2HE2 GLN 86 2HE2 GLN 86 -15.228 48.469 21.100 720 H ARG 87 H ARG 87 -11.244 43.159 23.109 721 HA ARG 87 HA ARG 87 -9.502 42.719 20.771 722 1HB ARG 87 1HB ARG 87 -9.047 43.137 23.841 723 2HB ARG 87 2HB ARG 87 -7.716 42.719 22.787 724 1HG ARG 87 1HG ARG 87 -8.198 44.730 21.370 725 2HG ARG 87 2HG ARG 87 -9.472 45.201 22.516 726 1HD ARG 87 1HD ARG 87 -7.806 45.313 24.336 727 2HD ARG 87 2HD ARG 87 -6.535 44.769 23.217 728 HE ARG 87 HE ARG 87 -7.801 47.086 22.146 729 1HH1 ARG 87 1HH1 ARG 87 -5.609 46.138 24.756 730 2HH1 ARG 87 2HH1 ARG 87 -4.775 47.666 24.812 731 1HH2 ARG 87 1HH2 ARG 87 -6.712 49.113 22.210 732 2HH2 ARG 87 2HH2 ARG 87 -5.419 49.385 23.343 733 H ALA 88 H ALA 88 -11.370 40.829 22.767 734 HA ALA 88 HA ALA 88 -9.648 38.452 22.560 735 1HB ALA 88 1HB ALA 88 -10.970 38.788 24.688 736 2HB ALA 88 2HB ALA 88 -12.457 38.683 23.729 737 3HB ALA 88 3HB ALA 88 -11.366 37.295 23.837 738 H ALA 89 H ALA 89 -12.381 40.050 21.226 739 HA ALA 89 HA ALA 89 -13.230 37.906 19.461 740 1HB ALA 89 1HB ALA 89 -13.855 40.889 19.389 741 2HB ALA 89 2HB ALA 89 -14.681 39.615 18.471 742 3HB ALA 89 3HB ALA 89 -14.793 39.646 20.239 743 H GLU 90 H GLU 90 -11.723 41.069 18.892 744 HA GLU 90 HA GLU 90 -10.837 40.428 16.197 745 1HB GLU 90 1HB GLU 90 -9.968 42.639 18.126 746 2HB GLU 90 2HB GLU 90 -9.615 42.601 16.393 747 1HG GLU 90 1HG GLU 90 -11.984 42.759 15.838 748 2HG GLU 90 2HG GLU 90 -12.443 42.705 17.544 749 H ASN 91 H ASN 91 -9.558 39.140 18.988 750 HA ASN 91 HA ASN 91 -6.782 39.159 17.902 751 1HB ASN 91 1HB ASN 91 -7.995 38.414 20.538 752 2HB ASN 91 2HB ASN 91 -7.128 37.061 19.897 753 1HD2 ASN 91 1HD2 ASN 91 -6.689 40.246 21.238 754 2HD2 ASN 91 2HD2 ASN 91 -4.932 40.189 21.249 755 H ARG 92 H ARG 92 -9.339 36.793 18.793 756 HA ARG 92 HA ARG 92 -8.300 34.687 17.227 757 1HB ARG 92 1HB ARG 92 -11.023 35.382 18.429 758 2HB ARG 92 2HB ARG 92 -10.901 34.008 17.347 759 1HG ARG 92 1HG ARG 92 -10.787 33.260 19.598 760 2HG ARG 92 2HG ARG 92 -9.263 32.908 18.772 761 1HD ARG 92 1HD ARG 92 -8.049 34.434 20.025 762 2HD ARG 92 2HD ARG 92 -9.427 35.462 20.366 763 HE ARG 92 HE ARG 92 -8.621 33.033 21.796 764 1HH1 ARG 92 1HH1 ARG 92 -11.104 35.582 21.439 765 2HH1 ARG 92 2HH1 ARG 92 -12.053 35.000 22.776 766 1HH2 ARG 92 1HH2 ARG 92 -9.916 32.302 23.562 767 2HH2 ARG 92 2HH2 ARG 92 -11.318 33.208 24.046 768 H GLN 93 H GLN 93 -10.570 37.202 16.403 769 HA GLN 93 HA GLN 93 -11.215 35.991 13.840 770 1HB GLN 93 1HB GLN 93 -11.603 38.834 14.821 771 2HB GLN 93 2HB GLN 93 -12.206 38.235 13.273 772 1HG GLN 93 1HG GLN 93 -13.616 36.588 14.320 773 2HG GLN 93 2HG GLN 93 -13.014 36.980 15.929 774 1HE2 GLN 93 1HE2 GLN 93 -13.052 39.662 16.162 775 2HE2 GLN 93 2HE2 GLN 93 -14.659 40.303 15.883 776 H GLY 94 H GLY 94 -8.353 37.597 14.844 777 1HA GLY 94 1HA GLY 94 -7.658 38.258 11.975 778 2HA GLY 94 2HA GLY 94 -6.902 38.944 13.407 779 H THR 95 H THR 95 -6.588 36.680 14.967 780 HA THR 95 HA THR 95 -4.184 35.563 13.980 781 HB THR 95 HB THR 95 -6.066 34.814 16.290 782 HG1 THR 95 HG1 THR 95 -4.581 35.963 17.505 783 1HG2 THR 95 1HG2 THR 95 -4.706 32.768 15.899 784 2HG2 THR 95 2HG2 THR 95 -3.217 33.729 15.878 785 3HG2 THR 95 3HG2 THR 95 -4.159 33.571 17.362 786 H LEU 96 H LEU 96 -7.492 34.220 14.146 787 HA LEU 96 HA LEU 96 -6.422 31.786 13.046 788 1HB LEU 96 1HB LEU 96 -8.641 31.861 14.329 789 2HB LEU 96 2HB LEU 96 -9.348 32.673 12.929 790 HG LEU 96 HG LEU 96 -8.571 30.624 11.461 791 1HD1 LEU 96 1HD1 LEU 96 -6.955 29.553 13.022 792 2HD1 LEU 96 2HD1 LEU 96 -8.187 29.618 14.323 793 3HD1 LEU 96 3HD1 LEU 96 -8.399 28.518 12.958 794 1HD2 LEU 96 1HD2 LEU 96 -10.842 30.955 12.438 795 2HD2 LEU 96 2HD2 LEU 96 -10.306 29.286 11.987 796 3HD2 LEU 96 3HD2 LEU 96 -10.282 29.769 13.655 797 H THR 97 H THR 97 -8.178 34.560 11.846 798 HA THR 97 HA THR 97 -8.439 33.847 9.116 799 HB THR 97 HB THR 97 -8.239 36.499 10.612 800 HG1 THR 97 HG1 THR 97 -10.143 35.429 8.799 801 1HG2 THR 97 1HG2 THR 97 -8.579 37.843 8.678 802 2HG2 THR 97 2HG2 THR 97 -6.965 37.140 8.754 803 3HG2 THR 97 3HG2 THR 97 -8.171 36.463 7.623 804 H GLU 98 H GLU 98 -5.615 35.029 10.820 805 HA GLU 98 HA GLU 98 -4.166 35.015 8.261 806 1HB GLU 98 1HB GLU 98 -3.839 36.859 9.993 807 2HB GLU 98 2HB GLU 98 -3.142 35.645 11.080 808 1HG GLU 98 1HG GLU 98 -1.333 35.230 9.468 809 2HG GLU 98 2HG GLU 98 -2.107 36.313 8.291 810 H TYR 99 H TYR 99 -4.282 33.094 11.263 811 HA TYR 99 HA TYR 99 -2.127 31.604 10.292 812 1HB TYR 99 1HB TYR 99 -3.220 31.244 12.738 813 2HB TYR 99 2HB TYR 99 -4.144 30.026 11.924 814 HD1 TYR 99 HD1 TYR 99 -0.584 30.328 10.561 815 HD2 TYR 99 HD2 TYR 99 -3.037 28.396 13.588 816 HE1 TYR 99 HE1 TYR 99 1.185 28.696 11.012 817 HE2 TYR 99 HE2 TYR 99 -1.159 26.770 13.977 818 HH TYR 99 HH TYR 99 1.862 27.100 12.097 819 H CYS 100 H CYS 100 -5.531 31.274 9.569 820 HA CYS 100 HA CYS 100 -5.242 28.684 8.328 821 1HB CYS 100 1HB CYS 100 -7.506 29.766 8.882 822 2HB CYS 100 2HB CYS 100 -7.184 31.008 7.652 823 HG CYS 100 HG CYS 100 -7.012 29.370 5.644 824 H SER 101 H SER 101 -4.998 31.993 7.059 825 HA SER 101 HA SER 101 -4.313 31.047 4.408 826 1HB SER 101 1HB SER 101 -3.718 33.748 5.789 827 2HB SER 101 2HB SER 101 -3.850 33.476 4.042 828 HG SER 101 HG SER 101 -5.851 33.620 6.012 829 H THR 102 H THR 102 -2.429 31.785 7.224 830 HA THR 102 HA THR 102 0.097 31.679 5.823 831 HB THR 102 HB THR 102 -0.542 32.176 8.752 832 HG1 THR 102 HG1 THR 102 -1.438 33.766 7.526 833 1HG2 THR 102 1HG2 THR 102 1.731 31.779 8.811 834 2HG2 THR 102 2HG2 THR 102 2.024 32.569 7.222 835 3HG2 THR 102 3HG2 THR 102 1.593 33.539 8.626 836 H LEU 103 H LEU 103 -1.747 29.462 7.761 837 HA LEU 103 HA LEU 103 0.426 27.709 8.242 838 1HB LEU 103 1HB LEU 103 -2.505 27.626 8.457 839 2HB LEU 103 2HB LEU 103 -2.202 26.292 7.726 840 HG LEU 103 HG LEU 103 -0.883 26.717 10.371 841 1HD1 LEU 103 1HD1 LEU 103 -3.448 25.276 10.447 842 2HD1 LEU 103 2HD1 LEU 103 -2.627 26.326 11.596 843 3HD1 LEU 103 3HD1 LEU 103 -3.524 27.034 10.302 844 1HD2 LEU 103 1HD2 LEU 103 -0.471 24.525 8.853 845 2HD2 LEU 103 2HD2 LEU 103 -0.810 24.353 10.585 846 3HD2 LEU 103 3HD2 LEU 103 -2.088 24.121 9.421 847 H MET 104 H MET 104 -1.680 28.258 5.408 848 HA MET 104 HA MET 104 -0.108 26.284 3.825 849 1HB MET 104 1HB MET 104 -2.796 27.472 3.679 850 2HB MET 104 2HB MET 104 -1.968 27.198 2.136 851 1HG MET 104 1HG MET 104 -3.359 25.272 2.954 852 2HG MET 104 2HG MET 104 -1.702 24.836 2.552 853 1HE MET 104 1HE MET 104 -0.379 23.319 5.824 854 2HE MET 104 2HE MET 104 -0.589 22.965 4.097 855 3HE MET 104 3HE MET 104 0.260 24.427 4.622 856 H SER 105 H SER 105 0.383 29.215 4.633 857 HA SER 105 HA SER 105 1.614 29.941 2.032 858 1HB SER 105 1HB SER 105 0.375 31.847 3.629 859 2HB SER 105 2HB SER 105 1.887 31.683 4.534 860 HG SER 105 HG SER 105 1.676 32.283 1.779 861 H LEU 106 H LEU 106 2.485 29.171 5.469 862 HA LEU 106 HA LEU 106 4.889 29.623 5.433 863 1HB LEU 106 1HB LEU 106 3.592 27.150 6.595 864 2HB LEU 106 2HB LEU 106 5.203 27.730 6.966 865 HG LEU 106 HG LEU 106 2.646 28.798 7.975 866 1HD1 LEU 106 1HD1 LEU 106 4.057 27.365 9.266 867 2HD1 LEU 106 2HD1 LEU 106 5.370 28.552 9.213 868 3HD1 LEU 106 3HD1 LEU 106 3.824 28.943 10.017 869 1HD2 LEU 106 1HD2 LEU 106 3.536 30.851 6.935 870 2HD2 LEU 106 2HD2 LEU 106 3.768 30.893 8.692 871 3HD2 LEU 106 3HD2 LEU 106 5.142 30.518 7.643 872 HA PRO 107 HA PRO 107 6.882 27.330 2.374 873 1HB PRO 107 1HB PRO 107 9.504 27.618 2.923 874 2HB PRO 107 2HB PRO 107 8.464 28.964 2.333 875 1HG PRO 107 1HG PRO 107 9.374 28.388 5.172 876 2HG PRO 107 2HG PRO 107 9.271 29.978 4.371 877 1HD PRO 107 1HD PRO 107 7.363 28.820 6.066 878 2HD PRO 107 2HD PRO 107 7.014 30.166 4.936 879 H THR 108 H THR 108 6.893 26.553 5.582 880 HA THR 108 HA THR 108 8.350 23.993 5.299 881 HB THR 108 HB THR 108 7.301 23.885 7.701 882 HG1 THR 108 HG1 THR 108 6.595 25.759 8.555 883 1HG2 THR 108 1HG2 THR 108 9.331 25.960 6.926 884 2HG2 THR 108 2HG2 THR 108 8.900 25.609 8.609 885 3HG2 THR 108 3HG2 THR 108 9.600 24.319 7.596 886 H LYS 109 H LYS 109 6.044 24.621 3.567 887 HA LYS 109 HA LYS 109 3.951 22.992 4.791 888 1HB LYS 109 1HB LYS 109 3.632 24.724 2.725 889 2HB LYS 109 2HB LYS 109 4.402 23.524 1.708 890 1HG LYS 109 1HG LYS 109 2.572 21.969 2.010 891 2HG LYS 109 2HG LYS 109 1.857 22.971 3.287 892 1HD LYS 109 1HD LYS 109 1.416 24.771 1.682 893 2HD LYS 109 2HD LYS 109 2.250 23.875 0.398 894 1HE LYS 109 1HE LYS 109 0.542 22.097 0.472 895 2HE LYS 109 2HE LYS 109 -0.274 22.901 1.819 896 1HZ LYS 109 1HZ LYS 109 -1.378 23.400 -0.223 897 2HZ LYS 109 2HZ LYS 109 -0.679 24.772 0.350 898 3HZ LYS 109 3HZ LYS 109 0.013 23.963 -0.903 899 H ILE 110 H ILE 110 6.867 22.168 3.547 900 HA ILE 110 HA ILE 110 6.106 19.366 3.034 901 HB ILE 110 HB ILE 110 8.835 20.724 2.963 902 1HG1 ILE 110 1HG1 ILE 110 6.912 20.020 0.691 903 2HG1 ILE 110 2HG1 ILE 110 7.288 21.653 1.259 904 1HG2 ILE 110 1HG2 ILE 110 9.572 18.700 1.757 905 2HG2 ILE 110 2HG2 ILE 110 8.967 18.271 3.344 906 3HG2 ILE 110 3HG2 ILE 110 7.946 17.999 1.916 907 1HD1 ILE 110 1HD1 ILE 110 8.552 21.317 -0.709 908 2HD1 ILE 110 2HD1 ILE 110 9.695 21.276 0.648 909 3HD1 ILE 110 3HD1 ILE 110 9.192 19.766 -0.156 910 H SER 111 H SER 111 7.667 21.379 5.504 911 HA SER 111 HA SER 111 8.494 19.091 7.075 912 1HB SER 111 1HB SER 111 9.807 21.181 7.028 913 2HB SER 111 2HB SER 111 8.456 22.027 7.808 914 HG SER 111 HG SER 111 9.961 21.363 9.344 915 H ARG 112 H ARG 112 5.999 21.569 7.292 916 HA ARG 112 HA ARG 112 4.760 20.298 9.660 917 1HB ARG 112 1HB ARG 112 3.718 22.233 10.048 918 2HB ARG 112 2HB ARG 112 5.157 22.787 9.185 919 1HG ARG 112 1HG ARG 112 3.473 22.584 7.065 920 2HG ARG 112 2HG ARG 112 2.256 22.701 8.340 921 1HD ARG 112 1HD ARG 112 4.284 24.700 7.395 922 2HD ARG 112 2HD ARG 112 2.589 24.972 7.774 923 HE ARG 112 HE ARG 112 4.952 25.015 9.545 924 1HH1 ARG 112 1HH1 ARG 112 1.447 24.668 9.575 925 2HH1 ARG 112 2HH1 ARG 112 1.249 25.383 11.156 926 1HH2 ARG 112 1HH2 ARG 112 4.749 25.862 11.628 927 2HH2 ARG 112 2HH2 ARG 112 3.203 25.831 12.432 928 H CYS 113 H CYS 113 4.628 19.689 6.399 929 HA CYS 113 HA CYS 113 2.070 19.255 5.606 930 1HB CYS 113 1HB CYS 113 3.746 18.496 4.112 931 2HB CYS 113 2HB CYS 113 4.534 17.493 5.311 932 HG CYS 113 HG CYS 113 1.579 17.174 3.907 933 HA PRO 114 HA PRO 114 1.259 15.287 8.113 934 1HB PRO 114 1HB PRO 114 2.995 14.413 10.072 935 2HB PRO 114 2HB PRO 114 3.172 13.947 8.355 936 1HG PRO 114 1HG PRO 114 4.575 16.222 9.794 937 2HG PRO 114 2HG PRO 114 5.320 14.943 8.791 938 1HD PRO 114 1HD PRO 114 4.780 17.354 7.743 939 2HD PRO 114 2HD PRO 114 4.428 15.881 6.797 940 H HIS 115 H HIS 115 2.731 17.935 9.883 941 HA HIS 115 HA HIS 115 1.027 17.453 12.116 942 1HB HIS 115 1HB HIS 115 3.133 18.957 12.011 943 2HB HIS 115 2HB HIS 115 2.014 20.230 11.524 944 HD1 HIS 115 HD1 HIS 115 1.248 17.513 14.151 945 HD2 HIS 115 HD2 HIS 115 2.075 21.616 13.969 946 HE1 HIS 115 HE1 HIS 115 0.867 18.480 16.474 947 H LEU 116 H LEU 116 0.687 19.700 9.244 948 HA LEU 116 HA LEU 116 -1.685 20.526 9.998 949 1HB LEU 116 1HB LEU 116 -0.319 21.356 7.981 950 2HB LEU 116 2HB LEU 116 -1.076 20.076 7.036 951 HG LEU 116 HG LEU 116 -2.087 22.653 7.986 952 1HD1 LEU 116 1HD1 LEU 116 -3.303 20.530 6.072 953 2HD1 LEU 116 2HD1 LEU 116 -3.724 22.259 6.019 954 3HD1 LEU 116 3HD1 LEU 116 -2.142 21.685 5.456 955 1HD2 LEU 116 1HD2 LEU 116 -3.408 21.570 9.484 956 2HD2 LEU 116 2HD2 LEU 116 -4.335 22.342 8.221 957 3HD2 LEU 116 3HD2 LEU 116 -4.157 20.593 8.188 958 H LEU 117 H LEU 117 -0.961 17.780 7.876 959 HA LEU 117 HA LEU 117 -3.633 16.725 7.471 960 1HB LEU 117 1HB LEU 117 -0.961 15.295 7.653 961 2HB LEU 117 2HB LEU 117 -2.500 14.514 7.396 962 HG LEU 117 HG LEU 117 -2.582 16.262 5.196 963 1HD1 LEU 117 1HD1 LEU 117 -0.363 15.999 4.164 964 2HD1 LEU 117 2HD1 LEU 117 -0.520 17.268 5.375 965 3HD1 LEU 117 3HD1 LEU 117 0.299 15.718 5.789 966 1HD2 LEU 117 1HD2 LEU 117 -2.938 13.790 5.386 967 2HD2 LEU 117 2HD2 LEU 117 -2.144 14.452 3.981 968 3HD2 LEU 117 3HD2 LEU 117 -1.155 13.634 5.228 969 H ASP 118 H ASP 118 -1.470 16.345 10.245 970 HA ASP 118 HA ASP 118 -3.500 14.772 11.648 971 1HB ASP 118 1HB ASP 118 -0.908 16.245 12.396 972 2HB ASP 118 2HB ASP 118 -1.855 15.486 13.639 973 H PHE 119 H PHE 119 -3.489 17.986 10.931 974 HA PHE 119 HA PHE 119 -4.636 19.117 13.419 975 1HB PHE 119 1HB PHE 119 -3.120 20.139 11.365 976 2HB PHE 119 2HB PHE 119 -4.706 20.461 10.673 977 HD1 PHE 119 HD1 PHE 119 -2.185 22.533 11.117 978 HD2 PHE 119 HD2 PHE 119 -5.701 21.471 13.416 979 HE1 PHE 119 HE1 PHE 119 -2.124 24.560 12.287 980 HE2 PHE 119 HE2 PHE 119 -5.623 23.658 14.578 981 HZ PHE 119 HZ PHE 119 -3.782 25.235 14.000 982 H PHE 120 H PHE 120 -5.308 18.123 10.196 983 HA PHE 120 HA PHE 120 -8.224 18.522 10.333 984 1HB PHE 120 1HB PHE 120 -6.142 17.411 8.302 985 2HB PHE 120 2HB PHE 120 -7.852 17.593 7.942 986 HD1 PHE 120 HD1 PHE 120 -5.465 18.653 6.429 987 HD2 PHE 120 HD2 PHE 120 -8.054 20.396 9.338 988 HE1 PHE 120 HE1 PHE 120 -5.283 20.875 5.298 989 HE2 PHE 120 HE2 PHE 120 -7.838 22.610 8.263 990 HZ PHE 120 HZ PHE 120 -6.454 22.825 6.214 991 H LYS 121 H LYS 121 -6.138 15.726 9.583 992 HA LYS 121 HA LYS 121 -8.304 13.986 9.385 993 1HB LYS 121 1HB LYS 121 -6.978 12.344 8.815 994 2HB LYS 121 2HB LYS 121 -6.014 13.768 8.424 995 1HG LYS 121 1HG LYS 121 -5.013 13.319 10.838 996 2HG LYS 121 2HG LYS 121 -5.654 11.691 10.568 997 1HD LYS 121 1HD LYS 121 -3.571 13.231 8.980 998 2HD LYS 121 2HD LYS 121 -3.326 11.724 9.844 999 1HE LYS 121 1HE LYS 121 -4.606 10.483 8.156 1000 2HE LYS 121 2HE LYS 121 -5.119 11.981 7.370 1001 1HZ LYS 121 1HZ LYS 121 -3.401 11.211 6.093 1002 2HZ LYS 121 2HZ LYS 121 -2.729 12.419 6.967 1003 3HZ LYS 121 3HZ LYS 121 -2.423 10.857 7.358 1004 H VAL 122 H VAL 122 -6.753 15.228 12.169 1005 HA VAL 122 HA VAL 122 -7.893 13.210 13.979 1006 HB VAL 122 HB VAL 122 -6.158 15.604 14.613 1007 1HG1 VAL 122 1HG1 VAL 122 -5.709 14.361 16.705 1008 2HG1 VAL 122 2HG1 VAL 122 -7.425 14.771 16.560 1009 3HG1 VAL 122 3HG1 VAL 122 -6.876 13.114 16.221 1010 1HG2 VAL 122 1HG2 VAL 122 -5.012 14.036 13.077 1011 2HG2 VAL 122 2HG2 VAL 122 -4.354 13.808 14.693 1012 3HG2 VAL 122 3HG2 VAL 122 -5.543 12.654 14.032 1013 H ARG 123 H ARG 123 -8.142 16.761 13.334 1014 HA ARG 123 HA ARG 123 -9.813 18.265 14.070 1015 1HB ARG 123 1HB ARG 123 -12.010 17.602 13.164 1016 2HB ARG 123 2HB ARG 123 -10.650 17.656 12.063 1017 1HG ARG 123 1HG ARG 123 -10.417 15.127 12.301 1018 2HG ARG 123 2HG ARG 123 -11.934 15.107 13.178 1019 1HD ARG 123 1HD ARG 123 -13.077 15.711 11.080 1020 2HD ARG 123 2HD ARG 123 -11.556 16.253 10.382 1021 HE ARG 123 HE ARG 123 -10.944 14.194 9.806 1022 1HH1 ARG 123 1HH1 ARG 123 -13.776 13.790 11.921 1023 2HH1 ARG 123 2HH1 ARG 123 -13.522 12.085 12.134 1024 1HH2 ARG 123 1HH2 ARG 123 -10.583 11.973 10.158 1025 2HH2 ARG 123 2HH2 ARG 123 -11.769 11.015 11.002 1026 HA PRO 124 HA PRO 124 -11.094 16.255 17.881 1027 1HB PRO 124 1HB PRO 124 -9.777 17.786 19.797 1028 2HB PRO 124 2HB PRO 124 -8.931 16.527 18.854 1029 1HG PRO 124 1HG PRO 124 -9.127 19.484 18.208 1030 2HG PRO 124 2HG PRO 124 -7.633 18.508 18.352 1031 1HD PRO 124 1HD PRO 124 -8.821 18.999 15.954 1032 2HD PRO 124 2HD PRO 124 -8.071 17.409 16.290 1033 H ASP 125 H ASP 125 -12.361 18.309 16.237 1034 HA ASP 125 HA ASP 125 -14.355 18.874 18.252 1035 1HB ASP 125 1HB ASP 125 -12.995 21.124 16.720 1036 2HB ASP 125 2HB ASP 125 -14.683 21.258 17.279 1037 H ASP 126 H ASP 126 -13.655 17.340 15.568 1038 HA ASP 126 HA ASP 126 -16.259 17.864 14.248 1039 1HB ASP 126 1HB ASP 126 -14.343 17.767 12.694 1040 2HB ASP 126 2HB ASP 126 -13.782 16.292 13.493 1041 H LEU 127 H LEU 127 -14.139 15.207 15.549 1042 HA LEU 127 HA LEU 127 -16.550 13.838 16.527 1043 1HB LEU 127 1HB LEU 127 -14.587 12.929 14.341 1044 2HB LEU 127 2HB LEU 127 -15.288 11.666 15.261 1045 HG LEU 127 HG LEU 127 -17.211 13.532 13.658 1046 1HD1 LEU 127 1HD1 LEU 127 -15.808 12.108 12.236 1047 2HD1 LEU 127 2HD1 LEU 127 -16.251 10.689 13.220 1048 3HD1 LEU 127 3HD1 LEU 127 -17.496 11.572 12.305 1049 1HD2 LEU 127 1HD2 LEU 127 -18.239 12.594 15.718 1050 2HD2 LEU 127 2HD2 LEU 127 -18.821 11.800 14.255 1051 3HD2 LEU 127 3HD2 LEU 127 -17.635 10.981 15.283 1052 H LYS 128 H LYS 128 -14.310 15.237 17.678 1053 HA LYS 128 HA LYS 128 -13.614 13.255 19.647 1054 1HB LYS 128 1HB LYS 128 -11.720 14.284 17.519 1055 2HB LYS 128 2HB LYS 128 -11.061 14.515 19.135 1056 1HG LYS 128 1HG LYS 128 -11.312 12.119 19.617 1057 2HG LYS 128 2HG LYS 128 -12.059 11.863 18.026 1058 1HD LYS 128 1HD LYS 128 -10.013 12.727 16.917 1059 2HD LYS 128 2HD LYS 128 -9.240 12.916 18.504 1060 1HE LYS 128 1HE LYS 128 -9.470 10.472 18.905 1061 2HE LYS 128 2HE LYS 128 -10.285 10.285 17.341 1062 1HZ LYS 128 1HZ LYS 128 -8.282 11.047 16.276 1063 2HZ LYS 128 2HZ LYS 128 -7.520 11.202 17.730 1064 3HZ LYS 128 3HZ LYS 128 -7.987 9.715 17.199 1065 H LEU 129 H LEU 129 -15.318 15.487 19.349 1066 HA LEU 129 HA LEU 129 -14.483 17.860 20.439 1067 1HB LEU 129 1HB LEU 129 -17.075 16.208 20.587 1068 2HB LEU 129 2HB LEU 129 -17.097 17.838 21.121 1069 HG LEU 129 HG LEU 129 -16.332 17.384 18.147 1070 1HD1 LEU 129 1HD1 LEU 129 -18.714 17.445 17.686 1071 2HD1 LEU 129 2HD1 LEU 129 -18.276 15.979 18.592 1072 3HD1 LEU 129 3HD1 LEU 129 -19.083 17.329 19.428 1073 1HD2 LEU 129 1HD2 LEU 129 -16.216 19.657 19.207 1074 2HD2 LEU 129 2HD2 LEU 129 -17.562 19.536 18.049 1075 3HD2 LEU 129 3HD2 LEU 129 -17.880 19.471 19.781 1076 HA PRO 130 HA PRO 130 -14.841 16.792 24.886 1077 1HB PRO 130 1HB PRO 130 -15.051 19.201 26.074 1078 2HB PRO 130 2HB PRO 130 -13.658 18.802 25.044 1079 1HG PRO 130 1HG PRO 130 -15.954 20.601 24.397 1080 2HG PRO 130 2HG PRO 130 -14.257 20.651 23.841 1081 1HD PRO 130 1HD PRO 130 -16.589 19.425 22.617 1082 2HD PRO 130 2HD PRO 130 -14.972 19.580 21.913 Start of MODEL 13 1 1H GLY 1 1H GLY 1 0.990 4.445 -5.048 2 2H GLY 1 2H GLY 1 2.282 3.752 -5.818 3 3H GLY 1 3H GLY 1 1.031 2.820 -5.263 4 1HA GLY 1 1HA GLY 1 2.884 2.589 -3.797 5 2HA GLY 1 2HA GLY 1 2.890 4.355 -3.594 6 H SER 2 H SER 2 2.696 3.134 -1.274 7 HA SER 2 HA SER 2 0.037 2.363 -0.455 8 1HB SER 2 1HB SER 2 2.480 3.113 1.201 9 2HB SER 2 2HB SER 2 1.048 2.213 1.745 10 HG SER 2 HG SER 2 2.781 0.829 1.156 11 H MET 3 H MET 3 -0.843 4.470 -1.509 12 HA MET 3 HA MET 3 -0.475 6.954 -0.060 13 1HB MET 3 1HB MET 3 -0.882 6.746 -2.515 14 2HB MET 3 2HB MET 3 -2.513 6.195 -2.161 15 1HG MET 3 1HG MET 3 -2.383 8.553 -0.681 16 2HG MET 3 2HG MET 3 -1.268 8.907 -1.991 17 1HE MET 3 1HE MET 3 -4.922 8.124 -0.898 18 2HE MET 3 2HE MET 3 -5.781 8.000 -2.444 19 3HE MET 3 3HE MET 3 -4.624 6.746 -1.979 20 H GLY 4 H GLY 4 -1.042 5.581 1.971 21 1HA GLY 4 1HA GLY 4 -3.973 5.746 2.664 22 2HA GLY 4 2HA GLY 4 -2.747 4.755 3.506 23 H ASP 5 H ASP 5 -2.861 8.080 2.322 24 HA ASP 5 HA ASP 5 -3.058 9.241 4.906 25 1HB ASP 5 1HB ASP 5 -0.493 8.441 4.791 26 2HB ASP 5 2HB ASP 5 -0.288 9.547 3.454 27 H THR 6 H THR 6 -1.919 9.612 1.629 28 HA THR 6 HA THR 6 -1.867 11.188 0.060 29 HB THR 6 HB THR 6 -4.130 10.162 -0.068 30 HG1 THR 6 HG1 THR 6 -4.604 11.533 -1.730 31 1HG2 THR 6 1HG2 THR 6 -5.014 11.361 1.847 32 2HG2 THR 6 2HG2 THR 6 -4.826 12.914 1.004 33 3HG2 THR 6 3HG2 THR 6 -5.935 11.693 0.337 34 H PHE 7 H PHE 7 -3.226 13.579 -0.360 35 HA PHE 7 HA PHE 7 -1.950 15.404 1.634 36 1HB PHE 7 1HB PHE 7 -1.340 15.456 -1.291 37 2HB PHE 7 2HB PHE 7 -0.530 16.303 -0.010 38 HD1 PHE 7 HD1 PHE 7 -0.747 12.946 -1.775 39 HD2 PHE 7 HD2 PHE 7 0.730 14.746 1.916 40 HE1 PHE 7 HE1 PHE 7 0.684 11.048 -1.377 41 HE2 PHE 7 HE2 PHE 7 2.132 12.818 2.255 42 HZ PHE 7 HZ PHE 7 2.147 10.947 0.626 43 H ILE 8 H ILE 8 -2.094 17.766 0.613 44 HA ILE 8 HA ILE 8 -4.950 18.051 0.017 45 HB ILE 8 HB ILE 8 -3.279 19.253 2.249 46 1HG1 ILE 8 1HG1 ILE 8 -5.877 17.621 1.943 47 2HG1 ILE 8 2HG1 ILE 8 -4.339 17.076 2.655 48 1HG2 ILE 8 1HG2 ILE 8 -4.430 21.186 1.406 49 2HG2 ILE 8 2HG2 ILE 8 -6.001 20.328 1.525 50 3HG2 ILE 8 3HG2 ILE 8 -5.034 20.709 2.961 51 1HD1 ILE 8 1HD1 ILE 8 -4.635 18.805 4.393 52 2HD1 ILE 8 2HD1 ILE 8 -6.310 19.038 3.775 53 3HD1 ILE 8 3HD1 ILE 8 -5.810 17.453 4.400 54 H ARG 9 H ARG 9 -5.799 20.113 -0.502 55 HA ARG 9 HA ARG 9 -4.071 21.494 -2.467 56 1HB ARG 9 1HB ARG 9 -7.173 21.323 -2.045 57 2HB ARG 9 2HB ARG 9 -6.438 22.460 -3.157 58 1HG ARG 9 1HG ARG 9 -5.293 20.481 -4.289 59 2HG ARG 9 2HG ARG 9 -6.283 19.443 -3.239 60 1HD ARG 9 1HD ARG 9 -8.334 20.330 -4.166 61 2HD ARG 9 2HD ARG 9 -7.468 21.540 -5.121 62 HE ARG 9 HE ARG 9 -7.913 18.734 -5.732 63 1HH1 ARG 9 1HH1 ARG 9 -5.706 21.441 -6.365 64 2HH1 ARG 9 2HH1 ARG 9 -5.172 20.818 -7.900 65 1HH2 ARG 9 1HH2 ARG 9 -7.188 17.905 -7.737 66 2HH2 ARG 9 2HH2 ARG 9 -6.012 18.778 -8.675 67 H HIS 10 H HIS 10 -6.658 22.209 -0.046 68 HA HIS 10 HA HIS 10 -5.021 24.045 1.324 69 1HB HIS 10 1HB HIS 10 -5.375 26.055 0.193 70 2HB HIS 10 2HB HIS 10 -5.851 25.115 -1.180 71 HD1 HIS 10 HD1 HIS 10 -6.891 28.056 -0.215 72 HD2 HIS 10 HD2 HIS 10 -9.017 24.449 -0.258 73 HE1 HIS 10 HE1 HIS 10 -9.373 28.617 -0.328 74 H ILE 11 H ILE 11 -6.350 25.914 2.404 75 HA ILE 11 HA ILE 11 -8.534 24.628 3.830 76 HB ILE 11 HB ILE 11 -6.980 26.828 5.115 77 1HG1 ILE 11 1HG1 ILE 11 -5.768 24.076 4.775 78 2HG1 ILE 11 2HG1 ILE 11 -5.161 25.635 4.281 79 1HG2 ILE 11 1HG2 ILE 11 -8.926 25.982 6.249 80 2HG2 ILE 11 2HG2 ILE 11 -8.408 24.312 6.084 81 3HG2 ILE 11 3HG2 ILE 11 -7.531 25.427 7.153 82 1HD1 ILE 11 1HD1 ILE 11 -4.988 26.400 6.624 83 2HD1 ILE 11 2HD1 ILE 11 -5.425 24.766 7.173 84 3HD1 ILE 11 3HD1 ILE 11 -3.951 25.015 6.238 85 H ALA 12 H ALA 12 -10.318 26.012 4.540 86 HA ALA 12 HA ALA 12 -10.491 28.763 3.544 87 1HB ALA 12 1HB ALA 12 -11.526 27.417 1.729 88 2HB ALA 12 2HB ALA 12 -12.447 26.483 2.915 89 3HB ALA 12 3HB ALA 12 -12.801 28.202 2.680 90 H LEU 13 H LEU 13 -12.548 29.678 4.760 91 HA LEU 13 HA LEU 13 -13.078 28.069 7.070 92 1HB LEU 13 1HB LEU 13 -11.151 29.658 7.377 93 2HB LEU 13 2HB LEU 13 -12.227 31.020 7.322 94 HG LEU 13 HG LEU 13 -12.269 28.829 9.610 95 1HD1 LEU 13 1HD1 LEU 13 -10.635 31.345 9.441 96 2HD1 LEU 13 2HD1 LEU 13 -10.751 30.123 10.705 97 3HD1 LEU 13 3HD1 LEU 13 -10.008 29.693 9.185 98 1HD2 LEU 13 1HD2 LEU 13 -14.178 30.353 9.824 99 2HD2 LEU 13 2HD2 LEU 13 -12.981 30.496 11.093 100 3HD2 LEU 13 3HD2 LEU 13 -13.048 31.737 9.839 101 H LEU 14 H LEU 14 -15.034 28.291 8.068 102 HA LEU 14 HA LEU 14 -16.971 29.619 6.203 103 1HB LEU 14 1HB LEU 14 -17.003 27.095 7.741 104 2HB LEU 14 2HB LEU 14 -18.134 28.105 8.517 105 HG LEU 14 HG LEU 14 -19.206 28.550 6.226 106 1HD1 LEU 14 1HD1 LEU 14 -16.803 27.115 5.275 107 2HD1 LEU 14 2HD1 LEU 14 -18.291 26.409 4.629 108 3HD1 LEU 14 3HD1 LEU 14 -17.929 28.110 4.374 109 1HD2 LEU 14 1HD2 LEU 14 -18.988 25.652 7.128 110 2HD2 LEU 14 2HD2 LEU 14 -20.123 26.879 7.717 111 3HD2 LEU 14 3HD2 LEU 14 -20.237 26.308 6.044 112 H GLY 15 H GLY 15 -16.197 29.426 9.646 113 1HA GLY 15 1HA GLY 15 -15.949 32.149 10.009 114 2HA GLY 15 2HA GLY 15 -17.704 32.011 9.973 115 H PHE 16 H PHE 16 -18.718 31.776 11.780 116 HA PHE 16 HA PHE 16 -17.215 31.533 14.267 117 1HB PHE 16 1HB PHE 16 -20.165 31.897 13.864 118 2HB PHE 16 2HB PHE 16 -19.256 32.238 15.295 119 HD1 PHE 16 HD1 PHE 16 -20.866 34.046 12.688 120 HD2 PHE 16 HD2 PHE 16 -16.876 33.954 14.487 121 HE1 PHE 16 HE1 PHE 16 -20.417 36.267 11.913 122 HE2 PHE 16 HE2 PHE 16 -16.508 36.172 13.675 123 HZ PHE 16 HZ PHE 16 -18.249 37.376 12.384 124 H GLU 17 H GLU 17 -18.701 30.248 15.993 125 HA GLU 17 HA GLU 17 -20.189 28.000 15.180 126 1HB GLU 17 1HB GLU 17 -17.476 27.514 14.895 127 2HB GLU 17 2HB GLU 17 -17.789 26.965 16.530 128 1HG GLU 17 1HG GLU 17 -19.458 26.084 14.130 129 2HG GLU 17 2HG GLU 17 -17.977 25.269 14.640 130 H LYS 18 H LYS 18 -20.803 26.703 17.217 131 HA LYS 18 HA LYS 18 -20.670 28.332 19.645 132 1HB LYS 18 1HB LYS 18 -23.242 27.062 18.745 133 2HB LYS 18 2HB LYS 18 -22.916 28.334 19.927 134 1HG LYS 18 1HG LYS 18 -23.819 29.545 18.195 135 2HG LYS 18 2HG LYS 18 -22.105 29.687 17.811 136 1HD LYS 18 1HD LYS 18 -22.586 27.480 16.350 137 2HD LYS 18 2HD LYS 18 -24.268 27.952 16.547 138 1HE LYS 18 1HE LYS 18 -23.818 30.120 15.466 139 2HE LYS 18 2HE LYS 18 -22.080 29.764 15.415 140 1HZ LYS 18 1HZ LYS 18 -23.101 29.332 13.321 141 2HZ LYS 18 2HZ LYS 18 -22.542 27.926 13.966 142 3HZ LYS 18 3HZ LYS 18 -24.156 28.257 13.987 143 H ARG 19 H ARG 19 -19.322 26.802 20.824 144 HA ARG 19 HA ARG 19 -20.535 24.175 21.477 145 1HB ARG 19 1HB ARG 19 -17.646 25.129 21.571 146 2HB ARG 19 2HB ARG 19 -18.197 23.547 22.133 147 1HG ARG 19 1HG ARG 19 -18.608 24.429 19.252 148 2HG ARG 19 2HG ARG 19 -17.063 23.796 19.810 149 1HD ARG 19 1HD ARG 19 -18.361 22.028 18.758 150 2HD ARG 19 2HD ARG 19 -17.992 21.692 20.449 151 HE ARG 19 HE ARG 19 -20.205 21.644 20.959 152 1HH1 ARG 19 1HH1 ARG 19 -19.899 23.306 17.812 153 2HH1 ARG 19 2HH1 ARG 19 -21.599 23.433 17.573 154 1HH2 ARG 19 1HH2 ARG 19 -22.467 21.780 20.597 155 2HH2 ARG 19 2HH2 ARG 19 -23.072 22.552 19.157 156 H PHE 20 H PHE 20 -21.848 24.680 23.160 157 HA PHE 20 HA PHE 20 -21.023 26.700 24.976 158 1HB PHE 20 1HB PHE 20 -23.328 24.649 25.237 159 2HB PHE 20 2HB PHE 20 -23.539 26.263 25.741 160 HD1 PHE 20 HD1 PHE 20 -23.943 23.858 22.776 161 HD2 PHE 20 HD2 PHE 20 -23.766 28.168 23.621 162 HE1 PHE 20 HE1 PHE 20 -24.944 24.362 20.704 163 HE2 PHE 20 HE2 PHE 20 -24.784 28.566 21.520 164 HZ PHE 20 HZ PHE 20 -25.403 26.696 20.012 165 H VAL 21 H VAL 21 -20.637 23.321 24.685 166 HA VAL 21 HA VAL 21 -20.210 22.977 27.494 167 HB VAL 21 HB VAL 21 -21.244 20.473 26.557 168 1HG1 VAL 21 1HG1 VAL 21 -22.946 22.919 27.224 169 2HG1 VAL 21 2HG1 VAL 21 -23.423 21.215 27.384 170 3HG1 VAL 21 3HG1 VAL 21 -22.172 21.894 28.454 171 1HG2 VAL 21 1HG2 VAL 21 -21.296 21.240 24.351 172 2HG2 VAL 21 2HG2 VAL 21 -22.794 20.574 25.054 173 3HG2 VAL 21 3HG2 VAL 21 -22.649 22.334 24.814 174 HA PRO 22 HA PRO 22 -19.550 20.561 28.361 175 1HB PRO 22 1HB PRO 22 -17.376 19.676 29.723 176 2HB PRO 22 2HB PRO 22 -18.105 18.764 28.368 177 1HG PRO 22 1HG PRO 22 -15.744 20.654 28.252 178 2HG PRO 22 2HG PRO 22 -15.855 18.990 27.606 179 1HD PRO 22 1HD PRO 22 -16.301 21.248 26.113 180 2HD PRO 22 2HD PRO 22 -17.169 19.718 25.763 181 H SER 23 H SER 23 -17.556 23.090 27.583 182 HA SER 23 HA SER 23 -18.105 24.536 30.046 183 1HB SER 23 1HB SER 23 -15.339 24.223 28.629 184 2HB SER 23 2HB SER 23 -15.633 25.581 29.698 185 HG SER 23 HG SER 23 -16.104 22.893 30.468 186 H GLN 24 H GLN 24 -17.860 27.019 29.614 187 HA GLN 24 HA GLN 24 -19.394 27.491 27.272 188 1HB GLN 24 1HB GLN 24 -18.358 29.651 29.053 189 2HB GLN 24 2HB GLN 24 -19.817 29.511 28.107 190 1HG GLN 24 1HG GLN 24 -19.380 27.797 30.736 191 2HG GLN 24 2HG GLN 24 -20.550 29.061 30.591 192 1HE2 GLN 24 1HE2 GLN 24 -21.940 28.686 28.313 193 2HE2 GLN 24 2HE2 GLN 24 -22.597 27.056 28.282 194 H HIS 25 H HIS 25 -18.254 27.857 25.174 195 HA HIS 25 HA HIS 25 -16.408 29.993 25.091 196 1HB HIS 25 1HB HIS 25 -14.775 28.042 23.983 197 2HB HIS 25 2HB HIS 25 -14.589 28.549 25.687 198 HD1 HIS 25 HD1 HIS 25 -16.911 26.131 23.779 199 HD2 HIS 25 HD2 HIS 25 -14.084 26.074 26.872 200 HE1 HIS 25 HE1 HIS 25 -16.798 23.770 24.627 201 H TYR 26 H TYR 26 -17.159 30.897 22.972 202 HA TYR 26 HA TYR 26 -18.145 28.949 21.073 203 1HB TYR 26 1HB TYR 26 -17.724 31.946 20.995 204 2HB TYR 26 2HB TYR 26 -17.859 31.105 19.499 205 HD1 TYR 26 HD1 TYR 26 -20.008 29.849 22.442 206 HD2 TYR 26 HD2 TYR 26 -20.113 32.278 18.792 207 HE1 TYR 26 HE1 TYR 26 -22.377 29.900 22.490 208 HE2 TYR 26 HE2 TYR 26 -22.486 32.278 18.921 209 HH TYR 26 HH TYR 26 -24.367 31.655 20.102 210 H VAL 27 H VAL 27 -17.298 28.605 18.904 211 HA VAL 27 HA VAL 27 -14.333 28.840 18.734 212 HB VAL 27 HB VAL 27 -14.055 26.534 18.432 213 1HG1 VAL 27 1HG1 VAL 27 -14.443 27.092 20.787 214 2HG1 VAL 27 2HG1 VAL 27 -16.152 26.634 20.588 215 3HG1 VAL 27 3HG1 VAL 27 -14.892 25.425 20.382 216 1HG2 VAL 27 1HG2 VAL 27 -17.011 26.028 18.291 217 2HG2 VAL 27 2HG2 VAL 27 -15.873 26.008 16.895 218 3HG2 VAL 27 3HG2 VAL 27 -15.707 24.835 18.191 219 H TYR 28 H TYR 28 -13.663 27.976 16.281 220 HA TYR 28 HA TYR 28 -15.367 29.562 14.620 221 1HB TYR 28 1HB TYR 28 -12.888 28.843 13.292 222 2HB TYR 28 2HB TYR 28 -13.656 30.360 13.665 223 HD1 TYR 28 HD1 TYR 28 -11.576 27.866 15.477 224 HD2 TYR 28 HD2 TYR 28 -12.401 31.969 14.620 225 HE1 TYR 28 HE1 TYR 28 -9.695 28.539 16.990 226 HE2 TYR 28 HE2 TYR 28 -10.502 32.654 16.118 227 HH TYR 28 HH TYR 28 -8.356 30.330 17.647 228 H MET 29 H MET 29 -16.343 28.689 12.800 229 HA MET 29 HA MET 29 -16.113 25.827 12.468 230 1HB MET 29 1HB MET 29 -18.246 26.799 12.218 231 2HB MET 29 2HB MET 29 -17.733 27.843 10.862 232 1HG MET 29 1HG MET 29 -18.954 25.867 10.049 233 2HG MET 29 2HG MET 29 -17.252 25.744 9.594 234 1HE MET 29 1HE MET 29 -18.437 23.307 9.104 235 2HE MET 29 2HE MET 29 -16.677 23.520 9.286 236 3HE MET 29 3HE MET 29 -17.475 22.125 10.057 237 H PHE 30 H PHE 30 -14.482 24.765 11.037 238 HA PHE 30 HA PHE 30 -12.993 26.511 9.367 239 1HB PHE 30 1HB PHE 30 -12.446 24.817 11.611 240 2HB PHE 30 2HB PHE 30 -12.210 23.789 10.251 241 HD1 PHE 30 HD1 PHE 30 -11.234 27.570 10.998 242 HD2 PHE 30 HD2 PHE 30 -9.813 23.650 9.762 243 HE1 PHE 30 HE1 PHE 30 -8.965 28.402 10.703 244 HE2 PHE 30 HE2 PHE 30 -7.555 24.582 9.517 245 HZ PHE 30 HZ PHE 30 -7.139 26.960 9.983 246 H LEU 31 H LEU 31 -12.541 25.745 7.075 247 HA LEU 31 HA LEU 31 -13.873 23.308 6.351 248 1HB LEU 31 1HB LEU 31 -13.976 26.070 5.323 249 2HB LEU 31 2HB LEU 31 -13.532 24.928 4.062 250 HG LEU 31 HG LEU 31 -15.925 25.366 4.154 251 1HD1 LEU 31 1HD1 LEU 31 -16.583 23.067 3.894 252 2HD1 LEU 31 2HD1 LEU 31 -14.950 23.333 3.228 253 3HD1 LEU 31 3HD1 LEU 31 -15.147 22.511 4.791 254 1HD2 LEU 31 1HD2 LEU 31 -17.366 24.633 5.904 255 2HD2 LEU 31 2HD2 LEU 31 -16.097 23.740 6.737 256 3HD2 LEU 31 3HD2 LEU 31 -16.055 25.503 6.726 257 H VAL 32 H VAL 32 -12.684 21.600 5.462 258 HA VAL 32 HA VAL 32 -9.987 22.366 4.541 259 HB VAL 32 HB VAL 32 -9.553 21.098 6.259 260 1HG1 VAL 32 1HG1 VAL 32 -11.760 20.206 6.848 261 2HG1 VAL 32 2HG1 VAL 32 -11.644 19.045 5.496 262 3HG1 VAL 32 3HG1 VAL 32 -10.521 18.945 6.872 263 1HG2 VAL 32 1HG2 VAL 32 -9.584 19.154 3.927 264 2HG2 VAL 32 2HG2 VAL 32 -8.335 20.363 4.278 265 3HG2 VAL 32 3HG2 VAL 32 -8.604 18.995 5.382 266 H LYS 33 H LYS 33 -9.309 21.720 2.412 267 HA LYS 33 HA LYS 33 -11.420 20.375 0.860 268 1HB LYS 33 1HB LYS 33 -10.638 23.006 0.582 269 2HB LYS 33 2HB LYS 33 -9.785 22.198 -0.730 270 1HG LYS 33 1HG LYS 33 -12.769 22.045 -0.082 271 2HG LYS 33 2HG LYS 33 -12.064 23.050 -1.334 272 1HD LYS 33 1HD LYS 33 -12.079 19.981 -1.267 273 2HD LYS 33 2HD LYS 33 -13.105 21.007 -2.258 274 1HE LYS 33 1HE LYS 33 -10.071 20.740 -2.474 275 2HE LYS 33 2HE LYS 33 -11.279 20.071 -3.576 276 1HZ LYS 33 1HZ LYS 33 -11.969 22.316 -4.084 277 2HZ LYS 33 2HZ LYS 33 -10.794 22.931 -3.105 278 3HZ LYS 33 3HZ LYS 33 -10.383 22.079 -4.451 279 H TRP 34 H TRP 34 -10.680 18.241 0.293 280 HA TRP 34 HA TRP 34 -7.769 18.020 0.049 281 1HB TRP 34 1HB TRP 34 -9.917 15.906 0.192 282 2HB TRP 34 2HB TRP 34 -8.210 15.612 0.098 283 HD1 TRP 34 HD1 TRP 34 -10.726 17.206 2.574 284 HE1 TRP 34 HE1 TRP 34 -9.952 16.652 4.969 285 HE3 TRP 34 HE3 TRP 34 -6.335 14.813 1.477 286 HZ2 TRP 34 HZ2 TRP 34 -7.722 15.324 6.251 287 HZ3 TRP 34 HZ3 TRP 34 -4.934 13.923 3.311 288 HH2 TRP 34 HH2 TRP 34 -5.616 14.162 5.674 289 H GLN 35 H GLN 35 -6.932 16.577 -1.818 290 HA GLN 35 HA GLN 35 -8.427 17.307 -4.277 291 1HB GLN 35 1HB GLN 35 -6.246 16.935 -5.484 292 2HB GLN 35 2HB GLN 35 -5.628 17.543 -3.970 293 1HG GLN 35 1HG GLN 35 -5.848 14.581 -4.639 294 2HG GLN 35 2HG GLN 35 -4.483 15.635 -4.937 295 1HE2 GLN 35 1HE2 GLN 35 -6.299 13.990 -2.389 296 2HE2 GLN 35 2HE2 GLN 35 -5.196 14.445 -1.095 297 H ASP 36 H ASP 36 -8.245 14.718 -2.246 298 HA ASP 36 HA ASP 36 -9.262 12.870 -4.326 299 1HB ASP 36 1HB ASP 36 -6.927 12.170 -3.397 300 2HB ASP 36 2HB ASP 36 -7.511 12.354 -1.763 301 H LEU 37 H LEU 37 -9.145 13.149 -0.763 302 HA LEU 37 HA LEU 37 -11.668 12.061 -0.281 303 1HB LEU 37 1HB LEU 37 -9.906 13.860 1.251 304 2HB LEU 37 2HB LEU 37 -11.459 13.329 1.870 305 HG LEU 37 HG LEU 37 -10.763 11.127 2.251 306 1HD1 LEU 37 1HD1 LEU 37 -8.503 11.324 0.200 307 2HD1 LEU 37 2HD1 LEU 37 -8.950 9.916 1.158 308 3HD1 LEU 37 3HD1 LEU 37 -10.043 10.482 -0.099 309 1HD2 LEU 37 1HD2 LEU 37 -9.378 12.662 3.503 310 2HD2 LEU 37 2HD2 LEU 37 -8.597 11.089 3.160 311 3HD2 LEU 37 3HD2 LEU 37 -8.126 12.534 2.223 312 H SER 38 H SER 38 -10.961 15.112 -1.722 313 HA SER 38 HA SER 38 -12.284 16.926 -2.315 314 1HB SER 38 1HB SER 38 -14.605 14.863 -1.849 315 2HB SER 38 2HB SER 38 -14.688 16.285 -2.862 316 HG SER 38 HG SER 38 -12.868 14.145 -3.222 317 H GLU 39 H GLU 39 -14.912 17.623 -1.209 318 HA GLU 39 HA GLU 39 -13.891 19.268 0.695 319 1HB GLU 39 1HB GLU 39 -16.424 20.014 0.883 320 2HB GLU 39 2HB GLU 39 -16.125 19.598 -0.794 321 1HG GLU 39 1HG GLU 39 -17.540 17.948 1.311 322 2HG GLU 39 2HG GLU 39 -18.181 18.680 -0.150 323 H LYS 40 H LYS 40 -13.978 19.436 3.018 324 HA LYS 40 HA LYS 40 -15.584 17.517 4.419 325 1HB LYS 40 1HB LYS 40 -12.605 17.067 4.253 326 2HB LYS 40 2HB LYS 40 -13.342 17.003 5.853 327 1HG LYS 40 1HG LYS 40 -13.792 14.870 5.438 328 2HG LYS 40 2HG LYS 40 -15.154 15.462 4.510 329 1HD LYS 40 1HD LYS 40 -13.281 15.473 2.529 330 2HD LYS 40 2HD LYS 40 -12.535 14.321 3.635 331 1HE LYS 40 1HE LYS 40 -13.848 12.852 2.395 332 2HE LYS 40 2HE LYS 40 -14.990 13.240 3.683 333 1HZ LYS 40 1HZ LYS 40 -16.116 13.477 1.630 334 2HZ LYS 40 2HZ LYS 40 -15.786 15.037 2.073 335 3HZ LYS 40 3HZ LYS 40 -14.863 14.297 0.952 336 H VAL 41 H VAL 41 -16.035 18.222 6.628 337 HA VAL 41 HA VAL 41 -15.160 20.977 7.000 338 HB VAL 41 HB VAL 41 -17.184 21.535 7.723 339 1HG1 VAL 41 1HG1 VAL 41 -17.866 19.437 5.631 340 2HG1 VAL 41 2HG1 VAL 41 -18.719 20.954 5.967 341 3HG1 VAL 41 3HG1 VAL 41 -17.085 20.990 5.287 342 1HG2 VAL 41 1HG2 VAL 41 -19.011 19.984 8.345 343 2HG2 VAL 41 2HG2 VAL 41 -17.873 18.619 8.161 344 3HG2 VAL 41 3HG2 VAL 41 -17.611 19.854 9.411 345 H VAL 42 H VAL 42 -14.580 21.692 9.178 346 HA VAL 42 HA VAL 42 -14.648 19.680 11.289 347 HB VAL 42 HB VAL 42 -12.253 19.731 11.783 348 1HG1 VAL 42 1HG1 VAL 42 -11.207 18.596 9.947 349 2HG1 VAL 42 2HG1 VAL 42 -12.867 18.014 10.165 350 3HG1 VAL 42 3HG1 VAL 42 -12.467 19.128 8.828 351 1HG2 VAL 42 1HG2 VAL 42 -11.978 21.671 9.468 352 2HG2 VAL 42 2HG2 VAL 42 -11.639 21.953 11.203 353 3HG2 VAL 42 3HG2 VAL 42 -10.613 20.869 10.270 354 H TYR 43 H TYR 43 -13.808 20.718 13.395 355 HA TYR 43 HA TYR 43 -14.726 23.499 13.437 356 1HB TYR 43 1HB TYR 43 -14.589 21.473 15.632 357 2HB TYR 43 2HB TYR 43 -15.392 23.017 15.631 358 HD1 TYR 43 HD1 TYR 43 -15.540 19.590 13.639 359 HD2 TYR 43 HD2 TYR 43 -17.945 23.031 14.845 360 HE1 TYR 43 HE1 TYR 43 -17.426 18.609 12.734 361 HE2 TYR 43 HE2 TYR 43 -19.812 21.982 13.910 362 HH TYR 43 HH TYR 43 -20.683 20.144 12.826 363 H ARG 44 H ARG 44 -13.518 24.963 14.976 364 HA ARG 44 HA ARG 44 -10.915 23.868 15.840 365 1HB ARG 44 1HB ARG 44 -11.428 26.200 13.936 366 2HB ARG 44 2HB ARG 44 -10.019 26.175 14.999 367 1HG ARG 44 1HG ARG 44 -10.632 24.038 12.952 368 2HG ARG 44 2HG ARG 44 -9.542 25.422 12.733 369 1HD ARG 44 1HD ARG 44 -8.061 24.712 14.461 370 2HD ARG 44 2HD ARG 44 -9.070 23.328 14.888 371 HE ARG 44 HE ARG 44 -7.254 23.613 12.652 372 1HH1 ARG 44 1HH1 ARG 44 -10.236 21.920 13.725 373 2HH1 ARG 44 2HH1 ARG 44 -9.891 20.516 12.759 374 1HH2 ARG 44 1HH2 ARG 44 -6.951 21.834 11.303 375 2HH2 ARG 44 2HH2 ARG 44 -7.931 20.404 11.525 376 H ARG 45 H ARG 45 -10.184 24.996 17.726 377 HA ARG 45 HA ARG 45 -11.846 27.170 18.745 378 1HB ARG 45 1HB ARG 45 -11.820 26.159 20.999 379 2HB ARG 45 2HB ARG 45 -12.706 25.190 19.808 380 1HG ARG 45 1HG ARG 45 -10.806 23.661 19.572 381 2HG ARG 45 2HG ARG 45 -9.911 24.597 20.796 382 1HD ARG 45 1HD ARG 45 -11.650 24.072 22.467 383 2HD ARG 45 2HD ARG 45 -12.591 23.202 21.255 384 HE ARG 45 HE ARG 45 -9.949 22.414 22.430 385 1HH1 ARG 45 1HH1 ARG 45 -12.828 21.332 20.508 386 2HH1 ARG 45 2HH1 ARG 45 -12.102 19.772 20.279 387 1HH2 ARG 45 1HH2 ARG 45 -9.110 20.306 21.890 388 2HH2 ARG 45 2HH2 ARG 45 -10.199 19.163 21.145 389 H PHE 46 H PHE 46 -10.654 28.656 20.115 390 HA PHE 46 HA PHE 46 -8.173 29.369 19.281 391 1HB PHE 46 1HB PHE 46 -8.040 30.662 21.428 392 2HB PHE 46 2HB PHE 46 -9.448 30.921 20.412 393 HD1 PHE 46 HD1 PHE 46 -8.272 29.677 23.674 394 HD2 PHE 46 HD2 PHE 46 -11.705 30.175 21.100 395 HE1 PHE 46 HE1 PHE 46 -9.783 29.267 25.593 396 HE2 PHE 46 HE2 PHE 46 -13.202 29.762 23.022 397 HZ PHE 46 HZ PHE 46 -12.247 29.307 25.274 398 H THR 47 H THR 47 -8.671 27.598 22.304 399 HA THR 47 HA THR 47 -5.924 27.282 22.884 400 HB THR 47 HB THR 47 -7.730 26.969 24.539 401 HG1 THR 47 HG1 THR 47 -5.888 24.873 24.136 402 1HG2 THR 47 1HG2 THR 47 -9.345 25.665 23.157 403 2HG2 THR 47 2HG2 THR 47 -8.229 24.279 23.176 404 3HG2 THR 47 3HG2 THR 47 -8.955 24.859 24.685 405 H GLU 48 H GLU 48 -7.709 25.598 20.415 406 HA GLU 48 HA GLU 48 -5.836 23.340 20.308 407 1HB GLU 48 1HB GLU 48 -8.365 24.095 18.779 408 2HB GLU 48 2HB GLU 48 -7.207 23.004 18.182 409 1HG GLU 48 1HG GLU 48 -8.471 22.836 20.937 410 2HG GLU 48 2HG GLU 48 -9.128 21.982 19.511 411 H ILE 49 H ILE 49 -6.739 26.319 18.559 412 HA ILE 49 HA ILE 49 -4.897 25.996 16.405 413 HB ILE 49 HB ILE 49 -5.396 28.726 17.741 414 1HG1 ILE 49 1HG1 ILE 49 -7.540 28.000 17.608 415 2HG1 ILE 49 2HG1 ILE 49 -7.201 29.186 16.382 416 1HG2 ILE 49 1HG2 ILE 49 -4.812 27.871 14.878 417 2HG2 ILE 49 2HG2 ILE 49 -5.053 29.538 15.436 418 3HG2 ILE 49 3HG2 ILE 49 -3.656 28.615 15.995 419 1HD1 ILE 49 1HD1 ILE 49 -8.561 27.655 15.282 420 2HD1 ILE 49 2HD1 ILE 49 -6.976 27.095 14.768 421 3HD1 ILE 49 3HD1 ILE 49 -7.842 26.257 16.093 422 H TYR 50 H TYR 50 -4.585 27.376 19.665 423 HA TYR 50 HA TYR 50 -1.770 27.919 19.538 424 1HB TYR 50 1HB TYR 50 -3.460 27.350 22.016 425 2HB TYR 50 2HB TYR 50 -1.989 28.256 21.954 426 HD1 TYR 50 HD1 TYR 50 -4.837 29.358 23.043 427 HD2 TYR 50 HD2 TYR 50 -2.949 29.798 19.124 428 HE1 TYR 50 HE1 TYR 50 -6.088 31.358 22.618 429 HE2 TYR 50 HE2 TYR 50 -4.218 31.763 18.764 430 HH TYR 50 HH TYR 50 -5.640 33.314 19.616 431 H GLU 51 H GLU 51 -3.557 25.197 21.055 432 HA GLU 51 HA GLU 51 -1.144 24.064 21.949 433 1HB GLU 51 1HB GLU 51 -3.286 23.384 22.883 434 2HB GLU 51 2HB GLU 51 -3.647 22.461 21.406 435 1HG GLU 51 1HG GLU 51 -2.749 21.065 23.264 436 2HG GLU 51 2HG GLU 51 -1.704 21.012 21.840 437 H PHE 52 H PHE 52 -2.777 23.741 18.845 438 HA PHE 52 HA PHE 52 -1.196 21.651 17.685 439 1HB PHE 52 1HB PHE 52 -3.103 22.495 16.454 440 2HB PHE 52 2HB PHE 52 -2.536 24.112 16.460 441 HD1 PHE 52 HD1 PHE 52 -2.174 20.828 14.850 442 HD2 PHE 52 HD2 PHE 52 -0.333 24.787 14.693 443 HE1 PHE 52 HE1 PHE 52 -1.142 20.289 12.765 444 HE2 PHE 52 HE2 PHE 52 0.665 24.149 12.619 445 HZ PHE 52 HZ PHE 52 0.294 21.966 11.601 446 H HIS 53 H HIS 53 -0.975 25.157 17.337 447 HA HIS 53 HA HIS 53 1.436 25.103 16.027 448 1HB HIS 53 1HB HIS 53 -0.381 26.892 16.329 449 2HB HIS 53 2HB HIS 53 0.514 27.444 17.756 450 HD1 HIS 53 HD1 HIS 53 2.536 26.225 14.880 451 HD2 HIS 53 HD2 HIS 53 0.733 29.855 15.973 452 HE1 HIS 53 HE1 HIS 53 3.411 27.924 13.349 453 H LYS 54 H LYS 54 0.763 25.313 19.347 454 HA LYS 54 HA LYS 54 3.456 25.693 20.317 455 1HB LYS 54 1HB LYS 54 1.068 24.317 21.561 456 2HB LYS 54 2HB LYS 54 2.665 24.314 22.325 457 1HG LYS 54 1HG LYS 54 2.715 26.709 22.507 458 2HG LYS 54 2HG LYS 54 1.209 26.873 21.604 459 1HD LYS 54 1HD LYS 54 0.818 27.136 23.987 460 2HD LYS 54 2HD LYS 54 -0.043 25.712 23.403 461 1HE LYS 54 1HE LYS 54 2.735 25.439 24.625 462 2HE LYS 54 2HE LYS 54 1.326 25.657 25.671 463 1HZ LYS 54 1HZ LYS 54 1.886 23.341 25.315 464 2HZ LYS 54 2HZ LYS 54 0.354 23.685 24.834 465 3HZ LYS 54 3HZ LYS 54 1.501 23.447 23.725 466 H THR 55 H THR 55 1.622 22.783 19.498 467 HA THR 55 HA THR 55 3.768 20.960 20.259 468 HB THR 55 HB THR 55 1.379 20.515 18.436 469 HG1 THR 55 HG1 THR 55 0.840 21.050 20.618 470 1HG2 THR 55 1HG2 THR 55 1.671 18.132 19.002 471 2HG2 THR 55 2HG2 THR 55 2.938 18.809 17.981 472 3HG2 THR 55 3HG2 THR 55 3.259 18.536 19.712 473 H LEU 56 H LEU 56 2.923 22.517 17.229 474 HA LEU 56 HA LEU 56 4.902 21.156 15.750 475 1HB LEU 56 1HB LEU 56 3.066 22.851 14.885 476 2HB LEU 56 2HB LEU 56 4.129 24.110 15.401 477 HG LEU 56 HG LEU 56 4.155 23.885 13.114 478 1HD1 LEU 56 1HD1 LEU 56 6.445 24.181 12.825 479 2HD1 LEU 56 2HD1 LEU 56 6.125 24.640 14.516 480 3HD1 LEU 56 3HD1 LEU 56 6.868 23.078 14.125 481 1HD2 LEU 56 1HD2 LEU 56 4.755 21.003 13.497 482 2HD2 LEU 56 2HD2 LEU 56 4.181 21.843 12.056 483 3HD2 LEU 56 3HD2 LEU 56 5.902 21.800 12.407 484 H LYS 57 H LYS 57 5.055 24.220 17.561 485 HA LYS 57 HA LYS 57 7.863 24.492 17.098 486 1HB LYS 57 1HB LYS 57 5.859 25.664 19.094 487 2HB LYS 57 2HB LYS 57 7.575 26.025 19.227 488 1HG LYS 57 1HG LYS 57 7.264 27.736 17.886 489 2HG LYS 57 2HG LYS 57 7.116 26.603 16.532 490 1HD LYS 57 1HD LYS 57 4.796 26.682 16.530 491 2HD LYS 57 2HD LYS 57 4.694 27.521 18.100 492 1HE LYS 57 1HE LYS 57 5.847 28.618 15.480 493 2HE LYS 57 2HE LYS 57 4.265 29.015 16.173 494 1HZ LYS 57 1HZ LYS 57 6.845 29.664 17.383 495 2HZ LYS 57 2HZ LYS 57 5.803 30.706 16.649 496 3HZ LYS 57 3HZ LYS 57 5.367 29.966 18.055 497 H GLU 58 H GLU 58 6.200 22.540 19.396 498 HA GLU 58 HA GLU 58 8.474 22.343 21.155 499 1HB GLU 58 1HB GLU 58 5.882 20.641 20.953 500 2HB GLU 58 2HB GLU 58 7.074 20.327 22.133 501 1HG GLU 58 1HG GLU 58 6.362 23.289 22.162 502 2HG GLU 58 2HG GLU 58 4.962 22.295 22.449 503 H MET 59 H MET 59 6.820 20.100 18.816 504 HA MET 59 HA MET 59 8.847 18.134 18.987 505 1HB MET 59 1HB MET 59 7.078 18.792 16.665 506 2HB MET 59 2HB MET 59 7.856 17.262 16.929 507 1HG MET 59 1HG MET 59 6.366 16.760 18.830 508 2HG MET 59 2HG MET 59 5.558 18.307 18.649 509 1HE MET 59 1HE MET 59 4.269 19.031 16.313 510 2HE MET 59 2HE MET 59 5.514 18.341 15.281 511 3HE MET 59 3HE MET 59 3.841 17.831 15.078 512 H PHE 60 H PHE 60 8.283 20.767 16.585 513 HA PHE 60 HA PHE 60 10.849 20.259 15.323 514 1HB PHE 60 1HB PHE 60 8.708 22.205 14.649 515 2HB PHE 60 2HB PHE 60 10.165 21.893 13.833 516 HD1 PHE 60 HD1 PHE 60 6.618 20.386 14.382 517 HD2 PHE 60 HD2 PHE 60 10.491 19.516 12.539 518 HE1 PHE 60 HE1 PHE 60 5.692 18.602 13.108 519 HE2 PHE 60 HE2 PHE 60 9.479 17.746 11.332 520 HZ PHE 60 HZ PHE 60 7.062 17.248 11.578 521 HA PRO 61 HA PRO 61 11.497 24.025 18.206 522 1HB PRO 61 1HB PRO 61 14.071 23.818 18.959 523 2HB PRO 61 2HB PRO 61 12.792 22.779 19.665 524 1HG PRO 61 1HG PRO 61 14.731 22.089 17.456 525 2HG PRO 61 2HG PRO 61 14.305 21.111 18.889 526 1HD PRO 61 1HD PRO 61 13.220 20.856 16.397 527 2HD PRO 61 2HD PRO 61 12.301 20.407 17.917 528 H ILE 62 H ILE 62 13.042 22.893 15.353 529 HA ILE 62 HA ILE 62 14.612 25.179 14.710 530 HB ILE 62 HB ILE 62 13.336 23.145 12.916 531 1HG1 ILE 62 1HG1 ILE 62 14.655 21.832 14.492 532 2HG1 ILE 62 2HG1 ILE 62 15.487 21.857 12.940 533 1HG2 ILE 62 1HG2 ILE 62 14.040 24.990 11.670 534 2HG2 ILE 62 2HG2 ILE 62 15.693 24.798 12.330 535 3HG2 ILE 62 3HG2 ILE 62 14.967 23.542 11.283 536 1HD1 ILE 62 1HD1 ILE 62 17.019 23.638 13.801 537 2HD1 ILE 62 2HD1 ILE 62 16.186 23.570 15.372 538 3HD1 ILE 62 3HD1 ILE 62 17.071 22.159 14.772 539 H GLU 63 H GLU 63 11.317 24.038 13.878 540 HA GLU 63 HA GLU 63 10.833 26.267 12.167 541 1HB GLU 63 1HB GLU 63 9.370 24.266 12.288 542 2HB GLU 63 2HB GLU 63 8.662 24.908 13.776 543 1HG GLU 63 1HG GLU 63 8.799 26.553 11.195 544 2HG GLU 63 2HG GLU 63 7.517 25.385 11.424 545 H ALA 64 H ALA 64 11.274 25.987 15.545 546 HA ALA 64 HA ALA 64 10.128 28.621 16.089 547 1HB ALA 64 1HB ALA 64 9.149 26.409 17.108 548 2HB ALA 64 2HB ALA 64 10.620 26.308 18.042 549 3HB ALA 64 3HB ALA 64 9.525 27.696 18.288 550 H GLY 65 H GLY 65 12.726 28.111 15.017 551 1HA GLY 65 1HA GLY 65 14.112 29.763 16.905 552 2HA GLY 65 2HA GLY 65 14.765 28.074 16.791 553 H ALA 66 H ALA 66 14.548 27.457 14.159 554 HA ALA 66 HA ALA 66 16.441 29.409 13.069 555 1HB ALA 66 1HB ALA 66 15.609 26.846 11.726 556 2HB ALA 66 2HB ALA 66 17.092 27.767 11.463 557 3HB ALA 66 3HB ALA 66 16.893 26.852 12.976 558 H ILE 67 H ILE 67 13.194 28.617 12.971 559 HA ILE 67 HA ILE 67 12.878 30.293 10.473 560 HB ILE 67 HB ILE 67 11.035 28.204 11.571 561 1HG1 ILE 67 1HG1 ILE 67 13.189 28.112 9.379 562 2HG1 ILE 67 2HG1 ILE 67 13.131 27.118 10.838 563 1HG2 ILE 67 1HG2 ILE 67 11.018 29.647 8.891 564 2HG2 ILE 67 2HG2 ILE 67 9.978 28.257 9.287 565 3HG2 ILE 67 3HG2 ILE 67 9.783 29.740 10.171 566 1HD1 ILE 67 1HD1 ILE 67 11.385 26.805 8.402 567 2HD1 ILE 67 2HD1 ILE 67 12.639 25.727 9.017 568 3HD1 ILE 67 3HD1 ILE 67 11.153 25.940 9.954 569 H ASN 68 H ASN 68 12.895 30.661 13.627 570 HA ASN 68 HA ASN 68 10.433 32.278 13.693 571 1HB ASN 68 1HB ASN 68 11.927 30.909 15.692 572 2HB ASN 68 2HB ASN 68 11.935 32.620 16.117 573 1HD2 ASN 68 1HD2 ASN 68 9.628 30.247 14.640 574 2HD2 ASN 68 2HD2 ASN 68 8.250 30.746 15.584 575 HA PRO 69 HA PRO 69 13.071 36.042 13.738 576 1HB PRO 69 1HB PRO 69 15.735 36.073 13.164 577 2HB PRO 69 2HB PRO 69 15.143 35.525 14.756 578 1HG PRO 69 1HG PRO 69 16.153 33.835 12.490 579 2HG PRO 69 2HG PRO 69 16.250 33.558 14.241 580 1HD PRO 69 1HD PRO 69 14.273 32.510 12.413 581 2HD PRO 69 2HD PRO 69 14.301 32.373 14.205 582 H GLU 70 H GLU 70 14.700 34.234 11.233 583 HA GLU 70 HA GLU 70 14.404 36.291 9.276 584 1HB GLU 70 1HB GLU 70 14.932 34.220 7.613 585 2HB GLU 70 2HB GLU 70 16.106 34.321 8.881 586 1HG GLU 70 1HG GLU 70 14.931 32.459 10.174 587 2HG GLU 70 2HG GLU 70 13.655 32.399 8.989 588 H ASN 71 H ASN 71 12.332 33.725 10.242 589 HA ASN 71 HA ASN 71 10.273 34.834 8.372 590 1HB ASN 71 1HB ASN 71 11.211 32.132 8.443 591 2HB ASN 71 2HB ASN 71 9.819 32.065 9.475 592 1HD2 ASN 71 1HD2 ASN 71 7.953 31.704 8.566 593 2HD2 ASN 71 2HD2 ASN 71 7.570 31.990 6.867 594 H ARG 72 H ARG 72 10.864 36.153 10.662 595 HA ARG 72 HA ARG 72 8.958 35.394 12.715 596 1HB ARG 72 1HB ARG 72 11.029 36.819 13.090 597 2HB ARG 72 2HB ARG 72 10.183 38.180 12.378 598 1HG ARG 72 1HG ARG 72 8.642 38.292 14.174 599 2HG ARG 72 2HG ARG 72 8.810 36.581 14.535 600 1HD ARG 72 1HD ARG 72 11.288 37.220 15.247 601 2HD ARG 72 2HD ARG 72 10.634 38.856 15.313 602 HE ARG 72 HE ARG 72 9.543 38.298 17.260 603 1HH1 ARG 72 1HH1 ARG 72 10.348 35.281 15.533 604 2HH1 ARG 72 2HH1 ARG 72 9.754 34.250 16.808 605 1HH2 ARG 72 1HH2 ARG 72 8.775 36.910 18.933 606 2HH2 ARG 72 2HH2 ARG 72 8.876 35.180 18.751 607 H ILE 73 H ILE 73 7.345 35.095 10.783 608 HA ILE 73 HA ILE 73 5.375 37.230 11.025 609 HB ILE 73 HB ILE 73 4.758 37.270 8.720 610 1HG1 ILE 73 1HG1 ILE 73 5.624 35.154 7.839 611 2HG1 ILE 73 2HG1 ILE 73 6.011 36.568 6.862 612 1HG2 ILE 73 1HG2 ILE 73 6.475 38.760 7.876 613 2HG2 ILE 73 2HG2 ILE 73 6.120 39.047 9.586 614 3HG2 ILE 73 3HG2 ILE 73 7.610 38.212 9.121 615 1HD1 ILE 73 1HD1 ILE 73 7.879 34.961 8.583 616 2HD1 ILE 73 2HD1 ILE 73 7.945 35.188 6.841 617 3HD1 ILE 73 3HD1 ILE 73 8.366 36.531 7.906 618 H ILE 74 H ILE 74 5.904 34.699 12.190 619 HA ILE 74 HA ILE 74 3.766 32.892 11.245 620 HB ILE 74 HB ILE 74 5.718 32.709 13.587 621 1HG1 ILE 74 1HG1 ILE 74 5.903 30.879 11.206 622 2HG1 ILE 74 2HG1 ILE 74 6.579 32.494 11.050 623 1HG2 ILE 74 1HG2 ILE 74 3.619 31.433 13.941 624 2HG2 ILE 74 2HG2 ILE 74 3.815 30.636 12.367 625 3HG2 ILE 74 3HG2 ILE 74 4.956 30.310 13.671 626 1HD1 ILE 74 1HD1 ILE 74 8.278 30.858 11.789 627 2HD1 ILE 74 2HD1 ILE 74 8.063 32.152 12.973 628 3HD1 ILE 74 3HD1 ILE 74 7.365 30.545 13.266 629 HA PRO 75 HA PRO 75 1.225 35.328 13.885 630 1HB PRO 75 1HB PRO 75 -1.099 33.966 14.174 631 2HB PRO 75 2HB PRO 75 -0.502 34.571 12.606 632 1HG PRO 75 1HG PRO 75 -0.039 31.789 13.749 633 2HG PRO 75 2HG PRO 75 -0.769 32.255 12.187 634 1HD PRO 75 1HD PRO 75 1.849 31.655 12.327 635 2HD PRO 75 2HD PRO 75 1.267 33.016 11.319 636 H HIS 76 H HIS 76 3.026 34.700 15.595 637 HA HIS 76 HA HIS 76 2.134 32.933 17.792 638 1HB HIS 76 1HB HIS 76 4.291 33.646 18.834 639 2HB HIS 76 2HB HIS 76 4.401 32.776 17.306 640 HD1 HIS 76 HD1 HIS 76 4.103 36.529 18.077 641 HD2 HIS 76 HD2 HIS 76 6.459 33.837 15.891 642 HE1 HIS 76 HE1 HIS 76 5.864 37.894 16.825 643 H LEU 77 H LEU 77 0.122 34.431 17.648 644 HA LEU 77 HA LEU 77 0.367 36.903 19.240 645 1HB LEU 77 1HB LEU 77 -1.733 35.659 17.454 646 2HB LEU 77 2HB LEU 77 -2.209 36.857 18.650 647 HG LEU 77 HG LEU 77 -0.554 38.474 17.715 648 1HD1 LEU 77 1HD1 LEU 77 -0.239 36.369 15.534 649 2HD1 LEU 77 2HD1 LEU 77 0.288 38.055 15.388 650 3HD1 LEU 77 3HD1 LEU 77 1.053 37.008 16.582 651 1HD2 LEU 77 1HD2 LEU 77 -1.886 39.059 15.761 652 2HD2 LEU 77 2HD2 LEU 77 -2.548 37.417 15.674 653 3HD2 LEU 77 3HD2 LEU 77 -2.954 38.474 17.048 654 HA PRO 78 HA PRO 78 -0.982 34.999 22.974 655 1HB PRO 78 1HB PRO 78 -2.323 37.012 24.268 656 2HB PRO 78 2HB PRO 78 -0.570 37.079 23.923 657 1HG PRO 78 1HG PRO 78 -2.830 38.275 22.291 658 2HG PRO 78 2HG PRO 78 -1.368 39.107 22.904 659 1HD PRO 78 1HD PRO 78 -1.471 38.134 20.384 660 2HD PRO 78 2HD PRO 78 0.026 37.973 21.346 661 H ALA 79 H ALA 79 -3.006 34.785 24.471 662 HA ALA 79 HA ALA 79 -5.115 33.612 22.881 663 1HB ALA 79 1HB ALA 79 -4.704 33.767 25.885 664 2HB ALA 79 2HB ALA 79 -5.901 32.744 25.063 665 3HB ALA 79 3HB ALA 79 -4.180 32.458 24.800 666 HA PRO 80 HA PRO 80 -7.906 37.000 23.119 667 1HB PRO 80 1HB PRO 80 -10.264 35.931 22.542 668 2HB PRO 80 2HB PRO 80 -8.865 35.673 21.473 669 1HG PRO 80 1HG PRO 80 -9.869 33.795 23.655 670 2HG PRO 80 2HG PRO 80 -9.588 33.399 21.933 671 1HD PRO 80 1HD PRO 80 -7.709 32.998 23.879 672 2HD PRO 80 2HD PRO 80 -7.289 33.451 22.207 673 H LYS 81 H LYS 81 -7.214 36.899 25.679 674 HA LYS 81 HA LYS 81 -9.601 37.791 26.974 675 1HB LYS 81 1HB LYS 81 -9.669 36.382 28.822 676 2HB LYS 81 2HB LYS 81 -10.011 35.501 27.308 677 1HG LYS 81 1HG LYS 81 -7.571 34.698 27.441 678 2HG LYS 81 2HG LYS 81 -7.561 35.334 29.101 679 1HD LYS 81 1HD LYS 81 -9.410 33.231 27.904 680 2HD LYS 81 2HD LYS 81 -8.133 33.002 29.109 681 1HE LYS 81 1HE LYS 81 -10.084 32.924 30.394 682 2HE LYS 81 2HE LYS 81 -9.508 34.574 30.658 683 1HZ LYS 81 1HZ LYS 81 -11.247 35.350 29.165 684 2HZ LYS 81 2HZ LYS 81 -11.612 33.808 28.726 685 3HZ LYS 81 3HZ LYS 81 -11.904 34.338 30.251 686 H TRP 82 H TRP 82 -6.929 38.749 26.287 687 HA TRP 82 HA TRP 82 -5.655 39.329 28.908 688 1HB TRP 82 1HB TRP 82 -4.967 40.008 26.024 689 2HB TRP 82 2HB TRP 82 -4.077 40.585 27.432 690 HD1 TRP 82 HD1 TRP 82 -5.244 36.880 27.191 691 HE1 TRP 82 HE1 TRP 82 -3.226 35.373 27.118 692 HE3 TRP 82 HE3 TRP 82 -1.573 40.456 26.801 693 HZ2 TRP 82 HZ2 TRP 82 -0.374 35.626 26.914 694 HZ3 TRP 82 HZ3 TRP 82 0.796 39.760 26.666 695 HH2 TRP 82 HH2 TRP 82 1.408 37.355 26.722 696 H PHE 83 H PHE 83 -7.769 40.681 26.483 697 HA PHE 83 HA PHE 83 -8.605 42.857 28.286 698 1HB PHE 83 1HB PHE 83 -7.860 43.218 25.357 699 2HB PHE 83 2HB PHE 83 -8.632 44.433 26.374 700 HD1 PHE 83 HD1 PHE 83 -5.477 42.875 25.383 701 HD2 PHE 83 HD2 PHE 83 -7.346 45.420 28.326 702 HE1 PHE 83 HE1 PHE 83 -3.251 43.691 26.095 703 HE2 PHE 83 HE2 PHE 83 -5.111 46.232 29.032 704 HZ PHE 83 HZ PHE 83 -3.062 45.369 27.921 705 H ASP 84 H ASP 84 -9.719 40.564 28.217 706 HA ASP 84 HA ASP 84 -11.266 39.425 26.471 707 1HB ASP 84 1HB ASP 84 -10.918 39.048 29.115 708 2HB ASP 84 2HB ASP 84 -12.495 39.778 29.251 709 H GLY 85 H GLY 85 -12.236 40.781 24.907 710 1HA GLY 85 1HA GLY 85 -14.927 41.411 25.111 711 2HA GLY 85 2HA GLY 85 -14.048 42.907 25.463 712 H GLN 86 H GLN 86 -13.944 44.117 23.436 713 HA GLN 86 HA GLN 86 -14.216 42.838 20.897 714 1HB GLN 86 1HB GLN 86 -13.101 45.587 21.623 715 2HB GLN 86 2HB GLN 86 -13.542 45.057 19.989 716 1HG GLN 86 1HG GLN 86 -15.886 44.679 20.750 717 2HG GLN 86 2HG GLN 86 -15.469 45.336 22.342 718 1HE2 GLN 86 1HE2 GLN 86 -14.217 47.592 22.139 719 2HE2 GLN 86 2HE2 GLN 86 -14.988 48.724 21.047 720 H ARG 87 H ARG 87 -11.508 43.218 22.945 721 HA ARG 87 HA ARG 87 -9.609 42.627 20.759 722 1HB ARG 87 1HB ARG 87 -9.475 43.493 23.712 723 2HB ARG 87 2HB ARG 87 -8.062 42.676 23.071 724 1HG ARG 87 1HG ARG 87 -9.332 45.074 21.677 725 2HG ARG 87 2HG ARG 87 -8.090 45.253 22.923 726 1HD ARG 87 1HD ARG 87 -6.412 44.237 21.677 727 2HD ARG 87 2HD ARG 87 -7.510 43.379 20.611 728 HE ARG 87 HE ARG 87 -6.415 45.996 20.216 729 1HH1 ARG 87 1HH1 ARG 87 -9.468 44.227 19.661 730 2HH1 ARG 87 2HH1 ARG 87 -9.575 44.788 17.996 731 1HH2 ARG 87 1HH2 ARG 87 -6.751 46.786 17.999 732 2HH2 ARG 87 2HH2 ARG 87 -8.140 46.146 17.122 733 H ALA 88 H ALA 88 -11.671 40.877 22.617 734 HA ALA 88 HA ALA 88 -9.950 38.471 22.639 735 1HB ALA 88 1HB ALA 88 -11.269 38.616 24.590 736 2HB ALA 88 2HB ALA 88 -12.766 38.964 23.699 737 3HB ALA 88 3HB ALA 88 -12.019 37.373 23.596 738 H ALA 89 H ALA 89 -12.585 40.050 21.070 739 HA ALA 89 HA ALA 89 -13.331 37.902 19.278 740 1HB ALA 89 1HB ALA 89 -14.658 39.644 18.141 741 2HB ALA 89 2HB ALA 89 -14.940 39.628 19.892 742 3HB ALA 89 3HB ALA 89 -13.922 40.887 19.172 743 H GLU 90 H GLU 90 -11.884 41.063 18.584 744 HA GLU 90 HA GLU 90 -10.887 40.275 16.006 745 1HB GLU 90 1HB GLU 90 -11.540 42.581 16.727 746 2HB GLU 90 2HB GLU 90 -10.120 42.633 17.781 747 1HG GLU 90 1HG GLU 90 -8.628 42.652 15.860 748 2HG GLU 90 2HG GLU 90 -9.965 42.265 14.762 749 H ASN 91 H ASN 91 -9.538 39.395 18.986 750 HA ASN 91 HA ASN 91 -6.787 39.341 17.850 751 1HB ASN 91 1HB ASN 91 -6.968 39.645 20.370 752 2HB ASN 91 2HB ASN 91 -7.940 38.178 20.519 753 1HD2 ASN 91 1HD2 ASN 91 -6.227 37.493 22.066 754 2HD2 ASN 91 2HD2 ASN 91 -4.790 36.759 21.389 755 H ARG 92 H ARG 92 -9.249 36.919 19.016 756 HA ARG 92 HA ARG 92 -7.895 34.823 17.620 757 1HB ARG 92 1HB ARG 92 -9.663 33.410 18.265 758 2HB ARG 92 2HB ARG 92 -9.482 34.552 19.589 759 1HG ARG 92 1HG ARG 92 -11.430 35.872 18.584 760 2HG ARG 92 2HG ARG 92 -11.603 34.568 17.400 761 1HD ARG 92 1HD ARG 92 -13.187 34.085 19.042 762 2HD ARG 92 2HD ARG 92 -11.847 32.959 19.345 763 HE ARG 92 HE ARG 92 -11.617 35.425 20.873 764 1HH1 ARG 92 1HH1 ARG 92 -13.411 32.361 20.749 765 2HH1 ARG 92 2HH1 ARG 92 -13.773 32.335 22.450 766 1HH2 ARG 92 1HH2 ARG 92 -12.083 35.355 23.182 767 2HH2 ARG 92 2HH2 ARG 92 -13.042 34.060 23.824 768 H GLN 93 H GLN 93 -10.347 37.090 16.626 769 HA GLN 93 HA GLN 93 -10.934 35.620 14.162 770 1HB GLN 93 1HB GLN 93 -11.668 38.423 14.991 771 2HB GLN 93 2HB GLN 93 -12.195 37.650 13.493 772 1HG GLN 93 1HG GLN 93 -13.405 35.941 14.615 773 2HG GLN 93 2HG GLN 93 -12.753 36.378 16.195 774 1HE2 GLN 93 1HE2 GLN 93 -15.366 36.201 16.274 775 2HE2 GLN 93 2HE2 GLN 93 -16.139 37.772 16.213 776 H GLY 94 H GLY 94 -8.232 37.482 15.072 777 1HA GLY 94 1HA GLY 94 -7.593 38.176 12.205 778 2HA GLY 94 2HA GLY 94 -6.863 38.898 13.639 779 H THR 95 H THR 95 -6.419 36.698 15.211 780 HA THR 95 HA THR 95 -3.984 35.634 14.236 781 HB THR 95 HB THR 95 -5.894 34.736 16.480 782 HG1 THR 95 HG1 THR 95 -5.109 36.689 16.984 783 1HG2 THR 95 1HG2 THR 95 -3.868 33.644 17.549 784 2HG2 THR 95 2HG2 THR 95 -4.429 32.801 16.105 785 3HG2 THR 95 3HG2 THR 95 -2.992 33.837 16.031 786 H LEU 96 H LEU 96 -7.233 34.151 14.432 787 HA LEU 96 HA LEU 96 -6.099 31.796 13.230 788 1HB LEU 96 1HB LEU 96 -8.249 31.709 14.510 789 2HB LEU 96 2HB LEU 96 -9.030 32.571 13.174 790 HG LEU 96 HG LEU 96 -8.287 30.618 11.589 791 1HD1 LEU 96 1HD1 LEU 96 -6.535 29.510 13.024 792 2HD1 LEU 96 2HD1 LEU 96 -7.708 29.491 14.356 793 3HD1 LEU 96 3HD1 LEU 96 -7.969 28.448 12.962 794 1HD2 LEU 96 1HD2 LEU 96 -9.817 29.877 13.974 795 2HD2 LEU 96 2HD2 LEU 96 -10.497 30.851 12.635 796 3HD2 LEU 96 3HD2 LEU 96 -9.987 29.135 12.402 797 H THR 97 H THR 97 -7.854 34.572 12.036 798 HA THR 97 HA THR 97 -8.060 33.852 9.277 799 HB THR 97 HB THR 97 -8.044 36.491 10.783 800 HG1 THR 97 HG1 THR 97 -9.789 35.340 8.868 801 1HG2 THR 97 1HG2 THR 97 -8.328 37.808 8.819 802 2HG2 THR 97 2HG2 THR 97 -6.691 37.174 8.991 803 3HG2 THR 97 3HG2 THR 97 -7.805 36.439 7.801 804 H GLU 98 H GLU 98 -5.298 35.079 11.048 805 HA GLU 98 HA GLU 98 -3.770 35.151 8.515 806 1HB GLU 98 1HB GLU 98 -3.544 36.962 10.336 807 2HB GLU 98 2HB GLU 98 -2.858 35.716 11.395 808 1HG GLU 98 1HG GLU 98 -1.023 35.381 9.740 809 2HG GLU 98 2HG GLU 98 -1.745 36.643 8.718 810 H TYR 99 H TYR 99 -3.996 33.180 11.449 811 HA TYR 99 HA TYR 99 -1.810 31.686 10.481 812 1HB TYR 99 1HB TYR 99 -2.830 31.354 12.937 813 2HB TYR 99 2HB TYR 99 -3.875 30.203 12.147 814 HD1 TYR 99 HD1 TYR 99 -0.323 30.322 10.763 815 HD2 TYR 99 HD2 TYR 99 -2.922 28.464 13.711 816 HE1 TYR 99 HE1 TYR 99 1.326 28.565 11.130 817 HE2 TYR 99 HE2 TYR 99 -1.189 26.707 14.030 818 HH TYR 99 HH TYR 99 0.837 25.946 13.416 819 H CYS 100 H CYS 100 -5.142 31.565 9.610 820 HA CYS 100 HA CYS 100 -5.000 28.937 8.408 821 1HB CYS 100 1HB CYS 100 -7.200 30.127 8.804 822 2HB CYS 100 2HB CYS 100 -6.742 31.343 7.588 823 HG CYS 100 HG CYS 100 -8.497 29.731 6.579 824 H SER 101 H SER 101 -4.541 32.231 7.111 825 HA SER 101 HA SER 101 -3.650 31.325 4.541 826 1HB SER 101 1HB SER 101 -3.081 33.909 6.105 827 2HB SER 101 2HB SER 101 -2.885 33.718 4.350 828 HG SER 101 HG SER 101 -4.925 34.658 5.075 829 H THR 102 H THR 102 -1.937 31.857 7.533 830 HA THR 102 HA THR 102 0.699 31.569 6.322 831 HB THR 102 HB THR 102 -0.136 32.066 9.209 832 HG1 THR 102 HG1 THR 102 -0.796 33.740 7.963 833 1HG2 THR 102 1HG2 THR 102 2.119 33.155 9.341 834 2HG2 THR 102 2HG2 THR 102 2.066 31.388 9.374 835 3HG2 THR 102 3HG2 THR 102 2.559 32.268 7.883 836 H LEU 103 H LEU 103 -1.453 29.482 8.075 837 HA LEU 103 HA LEU 103 0.507 27.438 8.627 838 1HB LEU 103 1HB LEU 103 -2.412 27.667 8.700 839 2HB LEU 103 2HB LEU 103 -2.153 26.336 7.916 840 HG LEU 103 HG LEU 103 -1.107 26.707 10.704 841 1HD1 LEU 103 1HD1 LEU 103 -3.474 25.070 10.516 842 2HD1 LEU 103 2HD1 LEU 103 -2.939 26.301 11.681 843 3HD1 LEU 103 3HD1 LEU 103 -3.736 26.787 10.205 844 1HD2 LEU 103 1HD2 LEU 103 -0.234 24.579 9.394 845 2HD2 LEU 103 2HD2 LEU 103 -1.028 24.339 10.945 846 3HD2 LEU 103 3HD2 LEU 103 -1.924 24.063 9.488 847 H MET 104 H MET 104 -1.386 28.394 5.773 848 HA MET 104 HA MET 104 -0.406 26.211 4.248 849 1HB MET 104 1HB MET 104 -2.008 28.790 3.804 850 2HB MET 104 2HB MET 104 -1.511 27.892 2.384 851 1HG MET 104 1HG MET 104 -2.869 26.292 4.494 852 2HG MET 104 2HG MET 104 -3.850 27.516 3.675 853 1HE MET 104 1HE MET 104 -0.830 25.682 1.911 854 2HE MET 104 2HE MET 104 -1.438 24.475 3.079 855 3HE MET 104 3HE MET 104 -1.639 24.216 1.327 856 H SER 105 H SER 105 0.782 29.242 5.010 857 HA SER 105 HA SER 105 2.381 29.541 2.567 858 1HB SER 105 1HB SER 105 1.203 31.623 3.982 859 2HB SER 105 2HB SER 105 2.586 31.350 5.035 860 HG SER 105 HG SER 105 2.738 31.871 2.258 861 H LEU 106 H LEU 106 2.918 28.852 6.079 862 HA LEU 106 HA LEU 106 5.296 29.197 6.327 863 1HB LEU 106 1HB LEU 106 3.753 26.776 7.169 864 2HB LEU 106 2HB LEU 106 5.376 27.117 7.732 865 HG LEU 106 HG LEU 106 2.810 28.349 8.566 866 1HD1 LEU 106 1HD1 LEU 106 3.872 28.222 10.715 867 2HD1 LEU 106 2HD1 LEU 106 4.000 26.668 9.859 868 3HD1 LEU 106 3HD1 LEU 106 5.412 27.752 9.956 869 1HD2 LEU 106 1HD2 LEU 106 3.857 30.378 7.766 870 2HD2 LEU 106 2HD2 LEU 106 3.938 30.291 9.534 871 3HD2 LEU 106 3HD2 LEU 106 5.388 29.947 8.577 872 HA PRO 107 HA PRO 107 7.788 27.206 3.455 873 1HB PRO 107 1HB PRO 107 10.307 27.635 4.328 874 2HB PRO 107 2HB PRO 107 9.250 28.963 3.739 875 1HG PRO 107 1HG PRO 107 9.798 28.131 6.608 876 2HG PRO 107 2HG PRO 107 9.779 29.792 5.953 877 1HD PRO 107 1HD PRO 107 7.684 28.542 7.255 878 2HD PRO 107 2HD PRO 107 7.460 29.889 6.090 879 H THR 108 H THR 108 7.311 26.119 6.493 880 HA THR 108 HA THR 108 9.018 23.684 6.285 881 HB THR 108 HB THR 108 7.430 23.292 8.400 882 HG1 THR 108 HG1 THR 108 6.792 25.304 9.330 883 1HG2 THR 108 1HG2 THR 108 9.414 25.521 8.611 884 2HG2 THR 108 2HG2 THR 108 8.908 24.389 9.895 885 3HG2 THR 108 3HG2 THR 108 9.868 23.789 8.535 886 H LYS 109 H LYS 109 7.546 24.095 4.077 887 HA LYS 109 HA LYS 109 5.023 22.721 4.510 888 1HB LYS 109 1HB LYS 109 5.636 24.356 2.433 889 2HB LYS 109 2HB LYS 109 6.512 23.001 1.752 890 1HG LYS 109 1HG LYS 109 4.471 21.683 1.574 891 2HG LYS 109 2HG LYS 109 3.548 22.906 2.471 892 1HD LYS 109 1HD LYS 109 4.039 24.570 0.680 893 2HD LYS 109 2HD LYS 109 4.899 23.330 -0.240 894 1HE LYS 109 1HE LYS 109 1.941 23.240 0.553 895 2HE LYS 109 2HE LYS 109 2.562 23.730 -1.030 896 1HZ LYS 109 1HZ LYS 109 3.487 21.538 -1.289 897 2HZ LYS 109 2HZ LYS 109 2.879 21.064 0.168 898 3HZ LYS 109 3HZ LYS 109 1.859 21.472 -1.058 899 H ILE 110 H ILE 110 8.080 21.522 4.293 900 HA ILE 110 HA ILE 110 7.073 18.800 3.678 901 HB ILE 110 HB ILE 110 9.894 19.775 4.328 902 1HG1 ILE 110 1HG1 ILE 110 8.605 19.118 1.633 903 2HG1 ILE 110 2HG1 ILE 110 9.017 20.740 2.209 904 1HG2 ILE 110 1HG2 ILE 110 9.566 17.368 4.843 905 2HG2 ILE 110 2HG2 ILE 110 8.940 17.105 3.202 906 3HG2 ILE 110 3HG2 ILE 110 10.632 17.577 3.469 907 1HD1 ILE 110 1HD1 ILE 110 10.728 20.102 0.710 908 2HD1 ILE 110 2HD1 ILE 110 11.426 20.050 2.339 909 3HD1 ILE 110 3HD1 ILE 110 10.979 18.543 1.500 910 H SER 111 H SER 111 8.147 20.756 6.402 911 HA SER 111 HA SER 111 8.144 18.500 8.212 912 1HB SER 111 1HB SER 111 8.225 21.392 9.055 913 2HB SER 111 2HB SER 111 8.930 19.986 9.842 914 HG SER 111 HG SER 111 10.347 19.824 8.011 915 H ARG 112 H ARG 112 6.068 21.247 7.518 916 HA ARG 112 HA ARG 112 4.172 20.555 9.620 917 1HB ARG 112 1HB ARG 112 3.117 22.559 9.230 918 2HB ARG 112 2HB ARG 112 4.790 22.909 8.793 919 1HG ARG 112 1HG ARG 112 3.949 22.258 6.341 920 2HG ARG 112 2HG ARG 112 2.339 22.474 7.011 921 1HD ARG 112 1HD ARG 112 2.628 24.756 7.406 922 2HD ARG 112 2HD ARG 112 4.382 24.616 7.519 923 HE ARG 112 HE ARG 112 4.614 25.183 5.403 924 1HH1 ARG 112 1HH1 ARG 112 1.403 23.717 5.549 925 2HH1 ARG 112 2HH1 ARG 112 0.928 24.308 3.979 926 1HH2 ARG 112 1HH2 ARG 112 3.965 26.124 3.549 927 2HH2 ARG 112 2HH2 ARG 112 2.352 25.918 2.906 928 H CYS 113 H CYS 113 4.595 19.549 6.369 929 HA CYS 113 HA CYS 113 2.014 19.274 5.395 930 1HB CYS 113 1HB CYS 113 3.667 18.594 3.918 931 2HB CYS 113 2HB CYS 113 4.435 17.484 5.058 932 HG CYS 113 HG CYS 113 3.392 16.150 3.128 933 HA PRO 114 HA PRO 114 0.978 15.324 7.756 934 1HB PRO 114 1HB PRO 114 2.630 14.309 9.734 935 2HB PRO 114 2HB PRO 114 2.802 13.856 8.013 936 1HG PRO 114 1HG PRO 114 4.315 16.030 9.500 937 2HG PRO 114 2HG PRO 114 5.001 14.721 8.491 938 1HD PRO 114 1HD PRO 114 4.619 17.165 7.457 939 2HD PRO 114 2HD PRO 114 4.170 15.723 6.496 940 H HIS 115 H HIS 115 2.522 17.934 9.500 941 HA HIS 115 HA HIS 115 0.866 17.523 11.779 942 1HB HIS 115 1HB HIS 115 2.999 19.006 11.553 943 2HB HIS 115 2HB HIS 115 1.870 20.286 11.115 944 HD1 HIS 115 HD1 HIS 115 1.217 17.592 13.786 945 HD2 HIS 115 HD2 HIS 115 2.105 21.694 13.589 946 HE1 HIS 115 HE1 HIS 115 0.990 18.548 16.127 947 H LEU 116 H LEU 116 0.420 19.828 8.949 948 HA LEU 116 HA LEU 116 -1.922 20.579 9.820 949 1HB LEU 116 1HB LEU 116 -0.639 21.534 7.791 950 2HB LEU 116 2HB LEU 116 -1.426 20.294 6.814 951 HG LEU 116 HG LEU 116 -2.452 22.803 7.983 952 1HD1 LEU 116 1HD1 LEU 116 -2.526 22.176 5.373 953 2HD1 LEU 116 2HD1 LEU 116 -3.603 20.858 5.841 954 3HD1 LEU 116 3HD1 LEU 116 -4.134 22.536 6.012 955 1HD2 LEU 116 1HD2 LEU 116 -4.444 20.673 8.021 956 2HD2 LEU 116 2HD2 LEU 116 -3.696 21.557 9.390 957 3HD2 LEU 116 3HD2 LEU 116 -4.667 22.412 8.227 958 H LEU 117 H LEU 117 -1.204 17.923 7.557 959 HA LEU 117 HA LEU 117 -3.870 16.900 7.178 960 1HB LEU 117 1HB LEU 117 -1.203 15.470 7.225 961 2HB LEU 117 2HB LEU 117 -2.757 14.707 6.964 962 HG LEU 117 HG LEU 117 -2.960 16.496 4.869 963 1HD1 LEU 117 1HD1 LEU 117 -0.837 16.680 3.755 964 2HD1 LEU 117 2HD1 LEU 117 -0.945 17.705 5.186 965 3HD1 LEU 117 3HD1 LEU 117 -0.012 16.166 5.238 966 1HD2 LEU 117 1HD2 LEU 117 -2.307 14.806 3.559 967 2HD2 LEU 117 2HD2 LEU 117 -1.273 14.031 4.796 968 3HD2 LEU 117 3HD2 LEU 117 -3.062 14.022 4.927 969 H ASP 118 H ASP 118 -1.672 16.420 9.907 970 HA ASP 118 HA ASP 118 -3.645 14.742 11.261 971 1HB ASP 118 1HB ASP 118 -1.052 16.211 12.040 972 2HB ASP 118 2HB ASP 118 -1.986 15.435 13.274 973 H PHE 119 H PHE 119 -3.647 18.005 10.700 974 HA PHE 119 HA PHE 119 -4.767 18.973 13.257 975 1HB PHE 119 1HB PHE 119 -3.323 20.134 11.204 976 2HB PHE 119 2HB PHE 119 -4.951 20.472 10.619 977 HD1 PHE 119 HD1 PHE 119 -2.464 22.608 11.119 978 HD2 PHE 119 HD2 PHE 119 -5.788 21.169 13.461 979 HE1 PHE 119 HE1 PHE 119 -2.447 24.559 12.517 980 HE2 PHE 119 HE2 PHE 119 -5.756 23.238 14.852 981 HZ PHE 119 HZ PHE 119 -4.023 24.956 14.338 982 H PHE 120 H PHE 120 -5.498 18.127 10.009 983 HA PHE 120 HA PHE 120 -8.412 18.499 10.206 984 1HB PHE 120 1HB PHE 120 -6.363 17.490 8.087 985 2HB PHE 120 2HB PHE 120 -8.080 17.693 7.768 986 HD1 PHE 120 HD1 PHE 120 -5.870 18.801 6.164 987 HD2 PHE 120 HD2 PHE 120 -8.087 20.462 9.411 988 HE1 PHE 120 HE1 PHE 120 -5.683 21.074 5.151 989 HE2 PHE 120 HE2 PHE 120 -7.879 22.713 8.449 990 HZ PHE 120 HZ PHE 120 -6.691 23.010 6.311 991 H LYS 121 H LYS 121 -6.311 15.764 9.332 992 HA LYS 121 HA LYS 121 -8.476 13.993 9.095 993 1HB LYS 121 1HB LYS 121 -7.128 12.408 8.397 994 2HB LYS 121 2HB LYS 121 -6.180 13.857 8.061 995 1HG LYS 121 1HG LYS 121 -5.157 13.307 10.450 996 2HG LYS 121 2HG LYS 121 -5.782 11.686 10.110 997 1HD LYS 121 1HD LYS 121 -3.726 13.322 8.583 998 2HD LYS 121 2HD LYS 121 -3.456 11.787 9.391 999 1HE LYS 121 1HE LYS 121 -4.704 10.588 7.661 1000 2HE LYS 121 2HE LYS 121 -5.271 12.099 6.939 1001 1HZ LYS 121 1HZ LYS 121 -3.517 11.400 5.631 1002 2HZ LYS 121 2HZ LYS 121 -2.921 12.637 6.515 1003 3HZ LYS 121 3HZ LYS 121 -2.521 11.098 6.903 1004 H VAL 122 H VAL 122 -6.777 15.068 11.877 1005 HA VAL 122 HA VAL 122 -7.916 12.931 13.569 1006 HB VAL 122 HB VAL 122 -6.113 15.212 14.384 1007 1HG1 VAL 122 1HG1 VAL 122 -7.347 14.207 16.261 1008 2HG1 VAL 122 2HG1 VAL 122 -6.847 12.581 15.738 1009 3HG1 VAL 122 3HG1 VAL 122 -5.639 13.745 16.318 1010 1HG2 VAL 122 1HG2 VAL 122 -5.017 13.811 12.674 1011 2HG2 VAL 122 2HG2 VAL 122 -4.341 13.385 14.242 1012 3HG2 VAL 122 3HG2 VAL 122 -5.562 12.336 13.472 1013 H ARG 123 H ARG 123 -8.167 16.493 13.058 1014 HA ARG 123 HA ARG 123 -9.726 17.983 13.927 1015 1HB ARG 123 1HB ARG 123 -12.060 17.243 13.362 1016 2HB ARG 123 2HB ARG 123 -10.856 17.493 12.141 1017 1HG ARG 123 1HG ARG 123 -11.996 15.683 11.364 1018 2HG ARG 123 2HG ARG 123 -10.481 15.025 11.911 1019 1HD ARG 123 1HD ARG 123 -11.542 13.426 12.990 1020 2HD ARG 123 2HD ARG 123 -12.207 14.611 14.100 1021 HE ARG 123 HE ARG 123 -14.258 14.394 13.098 1022 1HH1 ARG 123 1HH1 ARG 123 -11.859 13.122 10.824 1023 2HH1 ARG 123 2HH1 ARG 123 -13.049 12.740 9.607 1024 1HH2 ARG 123 1HH2 ARG 123 -15.721 14.102 11.532 1025 2HH2 ARG 123 2HH2 ARG 123 -15.347 13.301 10.014 1026 HA PRO 124 HA PRO 124 -10.504 16.158 17.972 1027 1HB PRO 124 1HB PRO 124 -8.805 17.615 19.594 1028 2HB PRO 124 2HB PRO 124 -8.194 16.298 18.557 1029 1HG PRO 124 1HG PRO 124 -8.311 19.253 17.870 1030 2HG PRO 124 2HG PRO 124 -6.874 18.192 17.821 1031 1HD PRO 124 1HD PRO 124 -8.379 18.683 15.603 1032 2HD PRO 124 2HD PRO 124 -7.676 17.063 15.892 1033 H ASP 125 H ASP 125 -11.943 18.085 16.460 1034 HA ASP 125 HA ASP 125 -13.502 19.019 18.680 1035 1HB ASP 125 1HB ASP 125 -11.740 20.868 18.033 1036 2HB ASP 125 2HB ASP 125 -12.580 20.985 16.503 1037 H ASP 126 H ASP 126 -13.364 17.356 15.965 1038 HA ASP 126 HA ASP 126 -16.110 17.983 15.031 1039 1HB ASP 126 1HB ASP 126 -14.280 17.862 13.292 1040 2HB ASP 126 2HB ASP 126 -13.865 16.271 13.917 1041 H LEU 127 H LEU 127 -13.869 15.291 16.039 1042 HA LEU 127 HA LEU 127 -16.148 13.952 17.338 1043 1HB LEU 127 1HB LEU 127 -14.460 13.007 14.948 1044 2HB LEU 127 2HB LEU 127 -14.994 11.753 15.988 1045 HG LEU 127 HG LEU 127 -17.182 13.516 14.627 1046 1HD1 LEU 127 1HD1 LEU 127 -15.890 12.098 13.065 1047 2HD1 LEU 127 2HD1 LEU 127 -16.210 10.691 14.108 1048 3HD1 LEU 127 3HD1 LEU 127 -17.558 11.550 13.330 1049 1HD2 LEU 127 1HD2 LEU 127 -18.619 11.744 15.473 1050 2HD2 LEU 127 2HD2 LEU 127 -17.268 10.985 16.331 1051 3HD2 LEU 127 3HD2 LEU 127 -17.862 12.584 16.828 1052 H LYS 128 H LYS 128 -13.635 15.364 18.079 1053 HA LYS 128 HA LYS 128 -12.866 13.484 20.107 1054 1HB LYS 128 1HB LYS 128 -11.107 14.242 17.724 1055 2HB LYS 128 2HB LYS 128 -10.276 14.279 19.270 1056 1HG LYS 128 1HG LYS 128 -9.960 12.079 19.079 1057 2HG LYS 128 2HG LYS 128 -11.700 11.794 19.182 1058 1HD LYS 128 1HD LYS 128 -11.851 12.213 16.689 1059 2HD LYS 128 2HD LYS 128 -10.085 12.376 16.653 1060 1HE LYS 128 1HE LYS 128 -9.853 10.056 17.503 1061 2HE LYS 128 2HE LYS 128 -11.620 9.894 17.561 1062 1HZ LYS 128 1HZ LYS 128 -10.042 10.391 15.128 1063 2HZ LYS 128 2HZ LYS 128 -10.681 8.942 15.579 1064 3HZ LYS 128 3HZ LYS 128 -11.678 10.195 15.202 1065 H LEU 129 H LEU 129 -14.398 15.595 19.982 1066 HA LEU 129 HA LEU 129 -13.615 18.136 20.681 1067 1HB LEU 129 1HB LEU 129 -15.924 16.314 21.543 1068 2HB LEU 129 2HB LEU 129 -16.009 18.007 21.854 1069 HG LEU 129 HG LEU 129 -15.771 17.194 18.855 1070 1HD1 LEU 129 1HD1 LEU 129 -18.220 17.022 20.641 1071 2HD1 LEU 129 2HD1 LEU 129 -18.179 16.913 18.863 1072 3HD1 LEU 129 3HD1 LEU 129 -17.399 15.657 19.846 1073 1HD2 LEU 129 1HD2 LEU 129 -17.218 19.125 18.642 1074 2HD2 LEU 129 2HD2 LEU 129 -17.307 19.333 20.397 1075 3HD2 LEU 129 3HD2 LEU 129 -15.766 19.587 19.552 1076 HA PRO 130 HA PRO 130 -12.285 17.997 24.869 1077 1HB PRO 130 1HB PRO 130 -14.296 19.897 25.940 1078 2HB PRO 130 2HB PRO 130 -12.530 20.085 25.842 1079 1HG PRO 130 1HG PRO 130 -14.196 21.505 24.201 1080 2HG PRO 130 2HG PRO 130 -12.657 20.825 23.593 1081 1HD PRO 130 1HD PRO 130 -15.418 19.600 23.451 1082 2HD PRO 130 2HD PRO 130 -14.314 19.908 22.086 Start of MODEL 14 1 1H GLY 1 1H GLY 1 -0.767 5.113 -5.784 2 2H GLY 1 2H GLY 1 -0.798 6.603 -5.097 3 3H GLY 1 3H GLY 1 -0.107 6.403 -6.588 4 1HA GLY 1 1HA GLY 1 1.621 5.035 -5.664 5 2HA GLY 1 2HA GLY 1 1.565 6.627 -4.875 6 H SER 2 H SER 2 2.617 5.580 -3.004 7 HA SER 2 HA SER 2 1.236 3.499 -1.511 8 1HB SER 2 1HB SER 2 3.707 3.789 -1.550 9 2HB SER 2 2HB SER 2 3.525 5.305 -0.643 10 HG SER 2 HG SER 2 3.887 3.521 0.733 11 H MET 3 H MET 3 -0.856 4.803 -1.634 12 HA MET 3 HA MET 3 -1.053 7.156 0.072 13 1HB MET 3 1HB MET 3 -2.749 5.765 -1.946 14 2HB MET 3 2HB MET 3 -3.651 6.516 -0.636 15 1HG MET 3 1HG MET 3 -3.375 8.129 -2.413 16 2HG MET 3 2HG MET 3 -2.496 8.645 -0.978 17 1HE MET 3 1HE MET 3 -1.380 10.461 -2.301 18 2HE MET 3 2HE MET 3 -0.439 10.227 -3.796 19 3HE MET 3 3HE MET 3 -2.202 9.948 -3.790 20 H GLY 4 H GLY 4 -3.239 7.116 1.313 21 1HA GLY 4 1HA GLY 4 -4.572 6.031 3.024 22 2HA GLY 4 2HA GLY 4 -3.171 5.002 3.461 23 H ASP 5 H ASP 5 -3.214 8.376 2.580 24 HA ASP 5 HA ASP 5 -3.318 9.486 5.102 25 1HB ASP 5 1HB ASP 5 -0.854 8.588 5.309 26 2HB ASP 5 2HB ASP 5 -0.480 9.259 3.741 27 H THR 6 H THR 6 -1.778 9.661 1.920 28 HA THR 6 HA THR 6 -1.580 11.120 0.271 29 HB THR 6 HB THR 6 -3.842 10.167 -0.015 30 HG1 THR 6 HG1 THR 6 -4.277 11.639 -1.667 31 1HG2 THR 6 1HG2 THR 6 -5.018 11.207 1.718 32 2HG2 THR 6 2HG2 THR 6 -4.570 12.845 1.209 33 3HG2 THR 6 3HG2 THR 6 -5.632 11.880 0.168 34 H PHE 7 H PHE 7 -3.040 13.525 -0.177 35 HA PHE 7 HA PHE 7 -1.663 15.390 1.734 36 1HB PHE 7 1HB PHE 7 -1.291 15.415 -1.231 37 2HB PHE 7 2HB PHE 7 -0.397 16.292 -0.028 38 HD1 PHE 7 HD1 PHE 7 -0.655 12.905 -1.752 39 HD2 PHE 7 HD2 PHE 7 0.976 14.735 1.867 40 HE1 PHE 7 HE1 PHE 7 0.824 11.037 -1.415 41 HE2 PHE 7 HE2 PHE 7 2.415 12.835 2.135 42 HZ PHE 7 HZ PHE 7 2.381 10.962 0.510 43 H ILE 8 H ILE 8 -2.033 17.757 0.919 44 HA ILE 8 HA ILE 8 -4.945 17.913 0.519 45 HB ILE 8 HB ILE 8 -3.161 19.298 2.532 46 1HG1 ILE 8 1HG1 ILE 8 -5.563 17.409 2.486 47 2HG1 ILE 8 2HG1 ILE 8 -3.955 17.121 3.175 48 1HG2 ILE 8 1HG2 ILE 8 -5.010 20.672 3.268 49 2HG2 ILE 8 2HG2 ILE 8 -4.542 21.087 1.644 50 3HG2 ILE 8 3HG2 ILE 8 -6.015 20.108 1.917 51 1HD1 ILE 8 1HD1 ILE 8 -4.518 18.950 4.830 52 2HD1 ILE 8 2HD1 ILE 8 -6.171 18.917 4.122 53 3HD1 ILE 8 3HD1 ILE 8 -5.522 17.480 4.939 54 H ARG 9 H ARG 9 -5.941 19.831 -0.146 55 HA ARG 9 HA ARG 9 -4.428 21.018 -2.393 56 1HB ARG 9 1HB ARG 9 -6.974 19.906 -2.373 57 2HB ARG 9 2HB ARG 9 -7.438 21.511 -1.881 58 1HG ARG 9 1HG ARG 9 -5.819 20.789 -4.363 59 2HG ARG 9 2HG ARG 9 -7.547 21.151 -4.314 60 1HD ARG 9 1HD ARG 9 -7.094 23.443 -3.540 61 2HD ARG 9 2HD ARG 9 -5.356 23.154 -3.564 62 HE ARG 9 HE ARG 9 -7.102 23.693 -5.816 63 1HH1 ARG 9 1HH1 ARG 9 -4.028 22.183 -4.887 64 2HH1 ARG 9 2HH1 ARG 9 -3.303 22.379 -6.458 65 1HH2 ARG 9 1HH2 ARG 9 -6.151 23.934 -7.889 66 2HH2 ARG 9 2HH2 ARG 9 -4.533 23.370 -8.186 67 H HIS 10 H HIS 10 -6.741 22.030 0.155 68 HA HIS 10 HA HIS 10 -5.055 23.932 1.298 69 1HB HIS 10 1HB HIS 10 -5.383 25.870 0.114 70 2HB HIS 10 2HB HIS 10 -5.894 24.901 -1.231 71 HD1 HIS 10 HD1 HIS 10 -6.876 27.914 -0.157 72 HD2 HIS 10 HD2 HIS 10 -9.058 24.359 -0.442 73 HE1 HIS 10 HE1 HIS 10 -9.353 28.517 -0.307 74 H ILE 11 H ILE 11 -6.384 25.855 2.348 75 HA ILE 11 HA ILE 11 -8.567 24.582 3.807 76 HB ILE 11 HB ILE 11 -7.045 26.851 5.021 77 1HG1 ILE 11 1HG1 ILE 11 -6.005 24.008 5.164 78 2HG1 ILE 11 2HG1 ILE 11 -5.255 25.316 4.254 79 1HG2 ILE 11 1HG2 ILE 11 -8.387 24.316 6.102 80 2HG2 ILE 11 2HG2 ILE 11 -7.732 25.646 7.080 81 3HG2 ILE 11 3HG2 ILE 11 -9.118 25.919 6.061 82 1HD1 ILE 11 1HD1 ILE 11 -4.133 25.001 6.391 83 2HD1 ILE 11 2HD1 ILE 11 -4.819 26.627 6.201 84 3HD1 ILE 11 3HD1 ILE 11 -5.592 25.443 7.267 85 H ALA 12 H ALA 12 -10.425 25.891 4.390 86 HA ALA 12 HA ALA 12 -10.654 28.627 3.369 87 1HB ALA 12 1HB ALA 12 -11.640 27.214 1.575 88 2HB ALA 12 2HB ALA 12 -12.544 26.280 2.776 89 3HB ALA 12 3HB ALA 12 -12.938 27.987 2.505 90 H LEU 13 H LEU 13 -12.709 29.517 4.600 91 HA LEU 13 HA LEU 13 -13.182 27.914 6.945 92 1HB LEU 13 1HB LEU 13 -11.305 29.575 7.195 93 2HB LEU 13 2HB LEU 13 -12.433 30.894 7.114 94 HG LEU 13 HG LEU 13 -12.248 28.738 9.420 95 1HD1 LEU 13 1HD1 LEU 13 -10.915 30.264 10.521 96 2HD1 LEU 13 2HD1 LEU 13 -10.130 29.883 9.000 97 3HD1 LEU 13 3HD1 LEU 13 -10.960 31.446 9.214 98 1HD2 LEU 13 1HD2 LEU 13 -14.350 30.014 9.640 99 2HD2 LEU 13 2HD2 LEU 13 -13.178 30.288 10.913 100 3HD2 LEU 13 3HD2 LEU 13 -13.397 31.523 9.670 101 H LEU 14 H LEU 14 -15.138 28.088 7.944 102 HA LEU 14 HA LEU 14 -17.142 29.267 6.054 103 1HB LEU 14 1HB LEU 14 -17.038 26.791 7.663 104 2HB LEU 14 2HB LEU 14 -18.196 27.762 8.433 105 HG LEU 14 HG LEU 14 -19.324 28.096 6.137 106 1HD1 LEU 14 1HD1 LEU 14 -18.326 25.954 4.588 107 2HD1 LEU 14 2HD1 LEU 14 -18.044 27.663 4.284 108 3HD1 LEU 14 3HD1 LEU 14 -16.866 26.744 5.199 109 1HD2 LEU 14 1HD2 LEU 14 -18.964 25.244 7.132 110 2HD2 LEU 14 2HD2 LEU 14 -20.157 26.434 7.678 111 3HD2 LEU 14 3HD2 LEU 14 -20.245 25.796 6.028 112 H GLY 15 H GLY 15 -16.337 29.199 9.486 113 1HA GLY 15 1HA GLY 15 -16.199 31.947 9.773 114 2HA GLY 15 2HA GLY 15 -17.947 31.728 9.776 115 H PHE 16 H PHE 16 -18.901 31.525 11.627 116 HA PHE 16 HA PHE 16 -17.321 31.316 14.079 117 1HB PHE 16 1HB PHE 16 -19.394 31.906 15.174 118 2HB PHE 16 2HB PHE 16 -18.767 33.029 14.045 119 HD1 PHE 16 HD1 PHE 16 -21.125 29.933 13.254 120 HD2 PHE 16 HD2 PHE 16 -20.706 34.294 13.134 121 HE1 PHE 16 HE1 PHE 16 -23.190 30.140 12.120 122 HE2 PHE 16 HE2 PHE 16 -22.810 34.409 11.987 123 HZ PHE 16 HZ PHE 16 -24.094 32.352 11.458 124 H GLU 17 H GLU 17 -18.776 30.058 15.787 125 HA GLU 17 HA GLU 17 -20.394 27.926 15.123 126 1HB GLU 17 1HB GLU 17 -17.786 27.111 14.632 127 2HB GLU 17 2HB GLU 17 -18.068 26.573 16.282 128 1HG GLU 17 1HG GLU 17 -19.960 25.944 13.998 129 2HG GLU 17 2HG GLU 17 -18.632 24.903 14.507 130 H LYS 18 H LYS 18 -21.173 26.893 17.163 131 HA LYS 18 HA LYS 18 -20.719 28.530 19.530 132 1HB LYS 18 1HB LYS 18 -23.250 27.055 18.830 133 2HB LYS 18 2HB LYS 18 -22.921 28.268 20.085 134 1HG LYS 18 1HG LYS 18 -23.958 29.577 18.533 135 2HG LYS 18 2HG LYS 18 -22.264 29.775 18.032 136 1HD LYS 18 1HD LYS 18 -22.989 27.604 16.506 137 2HD LYS 18 2HD LYS 18 -24.567 28.344 16.706 138 1HE LYS 18 1HE LYS 18 -22.047 29.676 15.595 139 2HE LYS 18 2HE LYS 18 -23.420 29.090 14.641 140 1HZ LYS 18 1HZ LYS 18 -23.499 31.267 16.614 141 2HZ LYS 18 2HZ LYS 18 -23.509 31.438 14.976 142 3HZ LYS 18 3HZ LYS 18 -24.787 30.728 15.736 143 H ARG 19 H ARG 19 -19.116 27.102 20.510 144 HA ARG 19 HA ARG 19 -19.911 24.332 21.210 145 1HB ARG 19 1HB ARG 19 -17.584 25.127 20.159 146 2HB ARG 19 2HB ARG 19 -17.214 25.583 21.816 147 1HG ARG 19 1HG ARG 19 -16.643 23.487 22.270 148 2HG ARG 19 2HG ARG 19 -18.277 22.911 21.901 149 1HD ARG 19 1HD ARG 19 -15.970 23.305 19.934 150 2HD ARG 19 2HD ARG 19 -16.581 21.769 20.557 151 HE ARG 19 HE ARG 19 -18.688 23.289 19.267 152 1HH1 ARG 19 1HH1 ARG 19 -15.738 21.586 18.371 153 2HH1 ARG 19 2HH1 ARG 19 -16.464 20.582 17.170 154 1HH2 ARG 19 1HH2 ARG 19 -19.460 22.486 17.225 155 2HH2 ARG 19 2HH2 ARG 19 -18.705 21.072 16.530 156 H PHE 20 H PHE 20 -21.359 24.657 22.902 157 HA PHE 20 HA PHE 20 -20.875 26.817 24.742 158 1HB PHE 20 1HB PHE 20 -22.761 24.385 25.135 159 2HB PHE 20 2HB PHE 20 -23.265 25.961 25.478 160 HD1 PHE 20 HD1 PHE 20 -23.226 23.189 22.860 161 HD2 PHE 20 HD2 PHE 20 -23.853 27.532 23.093 162 HE1 PHE 20 HE1 PHE 20 -24.307 23.198 20.767 163 HE2 PHE 20 HE2 PHE 20 -24.934 27.430 20.986 164 HZ PHE 20 HZ PHE 20 -25.195 25.285 19.771 165 H VAL 21 H VAL 21 -19.676 23.712 24.459 166 HA VAL 21 HA VAL 21 -19.262 23.425 27.271 167 HB VAL 21 HB VAL 21 -19.564 20.764 26.357 168 1HG1 VAL 21 1HG1 VAL 21 -21.932 22.627 26.813 169 2HG1 VAL 21 2HG1 VAL 21 -21.900 20.866 27.021 170 3HG1 VAL 21 3HG1 VAL 21 -20.977 21.909 28.128 171 1HG2 VAL 21 1HG2 VAL 21 -19.662 21.467 24.118 172 2HG2 VAL 21 2HG2 VAL 21 -20.973 20.428 24.733 173 3HG2 VAL 21 3HG2 VAL 21 -21.285 22.163 24.458 174 HA PRO 22 HA PRO 22 -17.803 21.371 28.081 175 1HB PRO 22 1HB PRO 22 -15.433 21.318 29.428 176 2HB PRO 22 2HB PRO 22 -15.797 20.205 28.077 177 1HG PRO 22 1HG PRO 22 -14.335 22.858 27.916 178 2HG PRO 22 2HG PRO 22 -13.763 21.277 27.322 179 1HD PRO 22 1HD PRO 22 -15.041 23.073 25.729 180 2HD PRO 22 2HD PRO 22 -15.351 21.322 25.506 181 H SER 23 H SER 23 -16.758 24.425 27.269 182 HA SER 23 HA SER 23 -17.751 25.644 29.716 183 1HB SER 23 1HB SER 23 -15.048 25.542 29.670 184 2HB SER 23 2HB SER 23 -15.151 26.679 28.342 185 HG SER 23 HG SER 23 -16.113 27.009 30.993 186 H GLN 24 H GLN 24 -17.954 28.181 29.314 187 HA GLN 24 HA GLN 24 -19.680 28.354 27.028 188 1HB GLN 24 1HB GLN 24 -18.957 30.496 28.980 189 2HB GLN 24 2HB GLN 24 -20.370 30.336 27.962 190 1HG GLN 24 1HG GLN 24 -19.849 28.506 30.494 191 2HG GLN 24 2HG GLN 24 -21.205 29.559 30.307 192 1HE2 GLN 24 1HE2 GLN 24 -20.021 26.474 29.874 193 2HE2 GLN 24 2HE2 GLN 24 -21.214 25.867 28.738 194 H HIS 25 H HIS 25 -18.675 28.926 24.978 195 HA HIS 25 HA HIS 25 -17.499 31.441 24.649 196 1HB HIS 25 1HB HIS 25 -15.381 29.972 23.660 197 2HB HIS 25 2HB HIS 25 -15.316 30.493 25.368 198 HD1 HIS 25 HD1 HIS 25 -17.126 27.584 23.573 199 HD2 HIS 25 HD2 HIS 25 -14.054 28.188 26.364 200 HE1 HIS 25 HE1 HIS 25 -16.395 25.332 24.338 201 H TYR 26 H TYR 26 -16.833 31.547 22.123 202 HA TYR 26 HA TYR 26 -18.256 29.412 20.660 203 1HB TYR 26 1HB TYR 26 -17.660 32.329 20.051 204 2HB TYR 26 2HB TYR 26 -17.935 31.237 18.756 205 HD1 TYR 26 HD1 TYR 26 -20.115 30.325 21.736 206 HD2 TYR 26 HD2 TYR 26 -19.963 32.871 18.189 207 HE1 TYR 26 HE1 TYR 26 -22.442 30.674 21.861 208 HE2 TYR 26 HE2 TYR 26 -22.339 33.191 18.373 209 HH TYR 26 HH TYR 26 -24.248 32.831 19.656 210 H VAL 27 H VAL 27 -17.369 28.845 18.539 211 HA VAL 27 HA VAL 27 -14.377 28.948 18.480 212 HB VAL 27 HB VAL 27 -14.221 26.582 18.183 213 1HG1 VAL 27 1HG1 VAL 27 -14.299 27.316 20.518 214 2HG1 VAL 27 2HG1 VAL 27 -16.057 27.083 20.545 215 3HG1 VAL 27 3HG1 VAL 27 -14.995 25.696 20.319 216 1HG2 VAL 27 1HG2 VAL 27 -16.099 26.061 16.867 217 2HG2 VAL 27 2HG2 VAL 27 -16.071 25.023 18.283 218 3HG2 VAL 27 3HG2 VAL 27 -17.212 26.388 18.247 219 H TYR 28 H TYR 28 -13.684 27.958 16.094 220 HA TYR 28 HA TYR 28 -15.405 29.450 14.346 221 1HB TYR 28 1HB TYR 28 -12.937 28.759 13.048 222 2HB TYR 28 2HB TYR 28 -13.695 30.281 13.429 223 HD1 TYR 28 HD1 TYR 28 -11.524 27.776 15.074 224 HD2 TYR 28 HD2 TYR 28 -12.625 31.856 14.629 225 HE1 TYR 28 HE1 TYR 28 -9.711 28.414 16.699 226 HE2 TYR 28 HE2 TYR 28 -10.769 32.535 16.226 227 HH TYR 28 HH TYR 28 -8.999 31.828 17.452 228 H MET 29 H MET 29 -16.422 28.482 12.641 229 HA MET 29 HA MET 29 -16.148 25.614 12.395 230 1HB MET 29 1HB MET 29 -18.296 26.543 12.147 231 2HB MET 29 2HB MET 29 -17.821 27.574 10.762 232 1HG MET 29 1HG MET 29 -19.017 25.591 9.974 233 2HG MET 29 2HG MET 29 -17.311 25.439 9.545 234 1HE MET 29 1HE MET 29 -16.543 23.262 9.437 235 2HE MET 29 2HE MET 29 -17.382 21.857 10.145 236 3HE MET 29 3HE MET 29 -18.262 22.988 9.058 237 H PHE 30 H PHE 30 -14.408 24.657 11.069 238 HA PHE 30 HA PHE 30 -13.044 26.427 9.325 239 1HB PHE 30 1HB PHE 30 -12.365 24.876 11.639 240 2HB PHE 30 2HB PHE 30 -12.059 23.807 10.321 241 HD1 PHE 30 HD1 PHE 30 -11.302 27.670 11.044 242 HD2 PHE 30 HD2 PHE 30 -9.738 23.864 9.621 243 HE1 PHE 30 HE1 PHE 30 -9.101 28.632 10.604 244 HE2 PHE 30 HE2 PHE 30 -7.567 24.931 9.248 245 HZ PHE 30 HZ PHE 30 -7.257 27.320 9.737 246 H LEU 31 H LEU 31 -12.548 25.620 7.066 247 HA LEU 31 HA LEU 31 -13.803 23.127 6.430 248 1HB LEU 31 1HB LEU 31 -14.083 25.847 5.381 249 2HB LEU 31 2HB LEU 31 -13.527 24.769 4.111 250 HG LEU 31 HG LEU 31 -15.937 24.987 4.143 251 1HD1 LEU 31 1HD1 LEU 31 -16.429 22.658 3.902 252 2HD1 LEU 31 2HD1 LEU 31 -14.778 22.992 3.315 253 3HD1 LEU 31 3HD1 LEU 31 -15.019 22.203 4.888 254 1HD2 LEU 31 1HD2 LEU 31 -16.113 25.187 6.706 255 2HD2 LEU 31 2HD2 LEU 31 -17.360 24.219 5.895 256 3HD2 LEU 31 3HD2 LEU 31 -16.048 23.432 6.776 257 H VAL 32 H VAL 32 -12.602 21.440 5.531 258 HA VAL 32 HA VAL 32 -9.944 22.267 4.549 259 HB VAL 32 HB VAL 32 -9.453 21.061 6.307 260 1HG1 VAL 32 1HG1 VAL 32 -11.636 20.106 6.884 261 2HG1 VAL 32 2HG1 VAL 32 -11.456 18.921 5.560 262 3HG1 VAL 32 3HG1 VAL 32 -10.352 18.891 6.957 263 1HG2 VAL 32 1HG2 VAL 32 -8.176 20.358 4.382 264 2HG2 VAL 32 2HG2 VAL 32 -8.462 18.952 5.439 265 3HG2 VAL 32 3HG2 VAL 32 -9.386 19.130 3.958 266 H LYS 33 H LYS 33 -9.305 21.627 2.450 267 HA LYS 33 HA LYS 33 -11.425 20.307 0.864 268 1HB LYS 33 1HB LYS 33 -11.006 22.762 0.488 269 2HB LYS 33 2HB LYS 33 -9.415 22.289 -0.143 270 1HG LYS 33 1HG LYS 33 -10.501 20.910 -1.886 271 2HG LYS 33 2HG LYS 33 -12.094 21.285 -1.194 272 1HD LYS 33 1HD LYS 33 -11.676 23.718 -1.599 273 2HD LYS 33 2HD LYS 33 -10.143 23.301 -2.393 274 1HE LYS 33 1HE LYS 33 -11.358 22.003 -4.107 275 2HE LYS 33 2HE LYS 33 -12.897 22.313 -3.280 276 1HZ LYS 33 1HZ LYS 33 -12.601 24.641 -3.702 277 2HZ LYS 33 2HZ LYS 33 -11.173 24.370 -4.478 278 3HZ LYS 33 3HZ LYS 33 -12.579 23.792 -5.111 279 H TRP 34 H TRP 34 -10.676 18.073 0.430 280 HA TRP 34 HA TRP 34 -7.767 17.840 0.179 281 1HB TRP 34 1HB TRP 34 -9.908 15.739 0.342 282 2HB TRP 34 2HB TRP 34 -8.188 15.469 0.201 283 HD1 TRP 34 HD1 TRP 34 -10.633 17.028 2.741 284 HE1 TRP 34 HE1 TRP 34 -9.723 16.550 5.119 285 HE3 TRP 34 HE3 TRP 34 -6.242 14.767 1.475 286 HZ2 TRP 34 HZ2 TRP 34 -7.397 15.328 6.300 287 HZ3 TRP 34 HZ3 TRP 34 -4.689 13.960 3.270 288 HH2 TRP 34 HH2 TRP 34 -5.292 14.185 5.645 289 H GLN 35 H GLN 35 -6.891 16.708 -1.757 290 HA GLN 35 HA GLN 35 -8.574 17.290 -4.149 291 1HB GLN 35 1HB GLN 35 -6.396 17.303 -5.428 292 2HB GLN 35 2HB GLN 35 -5.922 18.042 -3.915 293 1HG GLN 35 1HG GLN 35 -5.541 15.103 -4.634 294 2HG GLN 35 2HG GLN 35 -4.367 16.402 -4.782 295 1HE2 GLN 35 1HE2 GLN 35 -5.993 14.262 -2.504 296 2HE2 GLN 35 2HE2 GLN 35 -5.070 14.790 -1.101 297 H ASP 36 H ASP 36 -8.240 14.754 -2.161 298 HA ASP 36 HA ASP 36 -8.992 12.849 -4.276 299 1HB ASP 36 1HB ASP 36 -6.571 12.415 -3.305 300 2HB ASP 36 2HB ASP 36 -7.259 12.319 -1.705 301 H LEU 37 H LEU 37 -8.954 13.286 -0.736 302 HA LEU 37 HA LEU 37 -11.414 11.870 -0.303 303 1HB LEU 37 1HB LEU 37 -9.870 13.775 1.371 304 2HB LEU 37 2HB LEU 37 -11.364 13.017 1.865 305 HG LEU 37 HG LEU 37 -10.177 10.663 1.690 306 1HD1 LEU 37 1HD1 LEU 37 -7.711 10.778 1.681 307 2HD1 LEU 37 2HD1 LEU 37 -8.395 11.225 0.120 308 3HD1 LEU 37 3HD1 LEU 37 -7.790 12.493 1.215 309 1HD2 LEU 37 1HD2 LEU 37 -9.018 12.660 3.550 310 2HD2 LEU 37 2HD2 LEU 37 -10.559 11.762 3.729 311 3HD2 LEU 37 3HD2 LEU 37 -9.025 10.872 3.665 312 H SER 38 H SER 38 -10.895 14.969 -1.674 313 HA SER 38 HA SER 38 -12.328 16.708 -2.240 314 1HB SER 38 1HB SER 38 -14.511 14.530 -1.657 315 2HB SER 38 2HB SER 38 -14.814 16.021 -2.511 316 HG SER 38 HG SER 38 -14.309 14.248 -3.863 317 H GLU 39 H GLU 39 -14.859 17.443 -1.075 318 HA GLU 39 HA GLU 39 -13.829 19.041 0.854 319 1HB GLU 39 1HB GLU 39 -16.457 19.637 1.189 320 2HB GLU 39 2HB GLU 39 -16.007 19.585 -0.506 321 1HG GLU 39 1HG GLU 39 -16.824 17.210 -0.606 322 2HG GLU 39 2HG GLU 39 -17.355 17.384 1.075 323 H LYS 40 H LYS 40 -13.842 19.166 3.156 324 HA LYS 40 HA LYS 40 -15.332 17.161 4.609 325 1HB LYS 40 1HB LYS 40 -12.331 16.961 4.341 326 2HB LYS 40 2HB LYS 40 -12.979 16.908 5.976 327 1HG LYS 40 1HG LYS 40 -13.210 14.726 5.678 328 2HG LYS 40 2HG LYS 40 -14.698 15.151 4.853 329 1HD LYS 40 1HD LYS 40 -12.975 15.265 2.730 330 2HD LYS 40 2HD LYS 40 -12.060 14.197 3.798 331 1HE LYS 40 1HE LYS 40 -13.379 12.589 2.720 332 2HE LYS 40 2HE LYS 40 -14.459 12.979 4.054 333 1HZ LYS 40 1HZ LYS 40 -14.516 13.921 1.286 334 2HZ LYS 40 2HZ LYS 40 -15.706 13.107 2.088 335 3HZ LYS 40 3HZ LYS 40 -15.385 14.700 2.439 336 H VAL 41 H VAL 41 -15.781 17.947 6.800 337 HA VAL 41 HA VAL 41 -14.975 20.738 7.096 338 HB VAL 41 HB VAL 41 -17.010 21.232 7.880 339 1HG1 VAL 41 1HG1 VAL 41 -18.567 20.608 6.162 340 2HG1 VAL 41 2HG1 VAL 41 -16.957 20.718 5.436 341 3HG1 VAL 41 3HG1 VAL 41 -17.667 19.131 5.784 342 1HG2 VAL 41 1HG2 VAL 41 -18.776 19.593 8.490 343 2HG2 VAL 41 2HG2 VAL 41 -17.578 18.284 8.288 344 3HG2 VAL 41 3HG2 VAL 41 -17.366 19.520 9.550 345 H VAL 42 H VAL 42 -14.441 21.531 9.272 346 HA VAL 42 HA VAL 42 -14.407 19.549 11.401 347 HB VAL 42 HB VAL 42 -12.048 19.673 11.914 348 1HG1 VAL 42 1HG1 VAL 42 -12.563 18.034 10.158 349 2HG1 VAL 42 2HG1 VAL 42 -12.125 19.230 8.922 350 3HG1 VAL 42 3HG1 VAL 42 -10.905 18.649 10.066 351 1HG2 VAL 42 1HG2 VAL 42 -11.489 21.954 11.402 352 2HG2 VAL 42 2HG2 VAL 42 -10.393 20.897 10.514 353 3HG2 VAL 42 3HG2 VAL 42 -11.733 21.667 9.650 354 H TYR 43 H TYR 43 -13.695 20.623 13.513 355 HA TYR 43 HA TYR 43 -14.722 23.366 13.529 356 1HB TYR 43 1HB TYR 43 -14.530 21.386 15.751 357 2HB TYR 43 2HB TYR 43 -15.419 22.875 15.704 358 HD1 TYR 43 HD1 TYR 43 -15.345 19.382 13.853 359 HD2 TYR 43 HD2 TYR 43 -17.941 22.777 14.782 360 HE1 TYR 43 HE1 TYR 43 -17.161 18.279 12.922 361 HE2 TYR 43 HE2 TYR 43 -19.721 21.608 13.823 362 HH TYR 43 HH TYR 43 -20.467 19.695 12.757 363 H ARG 44 H ARG 44 -13.501 24.884 14.906 364 HA ARG 44 HA ARG 44 -10.930 23.767 15.964 365 1HB ARG 44 1HB ARG 44 -11.379 25.959 13.954 366 2HB ARG 44 2HB ARG 44 -9.986 25.995 15.043 367 1HG ARG 44 1HG ARG 44 -10.600 23.686 13.136 368 2HG ARG 44 2HG ARG 44 -9.618 25.102 12.762 369 1HD ARG 44 1HD ARG 44 -7.921 23.802 13.363 370 2HD ARG 44 2HD ARG 44 -8.285 24.448 14.951 371 HE ARG 44 HE ARG 44 -8.958 22.379 15.698 372 1HH1 ARG 44 1HH1 ARG 44 -8.795 22.206 12.145 373 2HH1 ARG 44 2HH1 ARG 44 -8.292 20.521 12.173 374 1HH2 ARG 44 1HH2 ARG 44 -8.362 20.225 15.658 375 2HH2 ARG 44 2HH2 ARG 44 -7.990 19.431 14.122 376 H ARG 45 H ARG 45 -10.698 24.499 18.125 377 HA ARG 45 HA ARG 45 -12.183 26.906 18.973 378 1HB ARG 45 1HB ARG 45 -11.847 26.038 21.268 379 2HB ARG 45 2HB ARG 45 -12.872 25.016 20.252 380 1HG ARG 45 1HG ARG 45 -11.122 23.438 19.883 381 2HG ARG 45 2HG ARG 45 -9.961 24.459 20.775 382 1HD ARG 45 1HD ARG 45 -11.612 24.085 22.777 383 2HD ARG 45 2HD ARG 45 -12.279 22.776 21.807 384 HE ARG 45 HE ARG 45 -9.600 22.994 23.054 385 1HH1 ARG 45 1HH1 ARG 45 -11.556 21.022 20.785 386 2HH1 ARG 45 2HH1 ARG 45 -10.232 19.934 20.472 387 1HH2 ARG 45 1HH2 ARG 45 -7.872 21.577 22.542 388 2HH2 ARG 45 2HH2 ARG 45 -8.152 20.435 21.264 389 H PHE 46 H PHE 46 -10.897 28.323 20.510 390 HA PHE 46 HA PHE 46 -8.577 29.222 19.234 391 1HB PHE 46 1HB PHE 46 -8.603 29.646 22.169 392 2HB PHE 46 2HB PHE 46 -8.450 30.800 20.849 393 HD1 PHE 46 HD1 PHE 46 -10.252 30.265 23.653 394 HD2 PHE 46 HD2 PHE 46 -10.931 30.811 19.422 395 HE1 PHE 46 HE1 PHE 46 -12.524 31.110 24.124 396 HE2 PHE 46 HE2 PHE 46 -13.215 31.653 19.920 397 HZ PHE 46 HZ PHE 46 -14.007 31.806 22.259 398 H THR 47 H THR 47 -8.968 27.161 21.995 399 HA THR 47 HA THR 47 -6.337 26.665 22.708 400 HB THR 47 HB THR 47 -7.304 25.499 24.330 401 HG1 THR 47 HG1 THR 47 -7.090 23.558 23.153 402 1HG2 THR 47 1HG2 THR 47 -9.954 25.638 22.863 403 2HG2 THR 47 2HG2 THR 47 -9.716 25.150 24.541 404 3HG2 THR 47 3HG2 THR 47 -9.349 26.816 24.060 405 H GLU 48 H GLU 48 -8.090 25.377 19.931 406 HA GLU 48 HA GLU 48 -6.320 23.102 19.523 407 1HB GLU 48 1HB GLU 48 -8.445 24.477 17.777 408 2HB GLU 48 2HB GLU 48 -7.429 23.223 17.272 409 1HG GLU 48 1HG GLU 48 -8.842 22.751 19.847 410 2HG GLU 48 2HG GLU 48 -9.827 22.692 18.364 411 H ILE 49 H ILE 49 -6.921 26.376 18.181 412 HA ILE 49 HA ILE 49 -4.903 26.166 16.182 413 HB ILE 49 HB ILE 49 -5.473 28.793 17.668 414 1HG1 ILE 49 1HG1 ILE 49 -7.611 28.100 17.390 415 2HG1 ILE 49 2HG1 ILE 49 -7.235 29.307 16.194 416 1HG2 ILE 49 1HG2 ILE 49 -4.976 29.751 15.446 417 2HG2 ILE 49 2HG2 ILE 49 -3.642 28.711 15.960 418 3HG2 ILE 49 3HG2 ILE 49 -4.811 28.120 14.768 419 1HD1 ILE 49 1HD1 ILE 49 -8.562 27.657 15.041 420 2HD1 ILE 49 2HD1 ILE 49 -6.926 27.266 14.544 421 3HD1 ILE 49 3HD1 ILE 49 -7.725 26.338 15.842 422 H TYR 50 H TYR 50 -4.795 27.234 19.547 423 HA TYR 50 HA TYR 50 -1.979 27.722 19.635 424 1HB TYR 50 1HB TYR 50 -3.753 26.948 21.988 425 2HB TYR 50 2HB TYR 50 -2.319 27.912 22.036 426 HD1 TYR 50 HD1 TYR 50 -5.236 28.805 23.135 427 HD2 TYR 50 HD2 TYR 50 -3.306 29.639 19.297 428 HE1 TYR 50 HE1 TYR 50 -6.574 30.759 22.835 429 HE2 TYR 50 HE2 TYR 50 -4.673 31.559 19.061 430 HH TYR 50 HH TYR 50 -7.119 32.526 21.447 431 H GLU 51 H GLU 51 -3.875 24.888 20.764 432 HA GLU 51 HA GLU 51 -1.625 23.497 21.785 433 1HB GLU 51 1HB GLU 51 -4.314 22.517 20.754 434 2HB GLU 51 2HB GLU 51 -3.054 21.389 21.242 435 1HG GLU 51 1HG GLU 51 -2.957 22.214 23.475 436 2HG GLU 51 2HG GLU 51 -4.051 23.550 23.135 437 H PHE 52 H PHE 52 -3.046 23.558 18.514 438 HA PHE 52 HA PHE 52 -1.343 21.594 17.356 439 1HB PHE 52 1HB PHE 52 -3.187 22.585 16.057 440 2HB PHE 52 2HB PHE 52 -2.541 24.170 16.164 441 HD1 PHE 52 HD1 PHE 52 -2.168 20.888 14.601 442 HD2 PHE 52 HD2 PHE 52 -0.230 24.786 14.546 443 HE1 PHE 52 HE1 PHE 52 -1.005 20.289 12.599 444 HE2 PHE 52 HE2 PHE 52 0.913 24.086 12.516 445 HZ PHE 52 HZ PHE 52 0.552 21.914 11.510 446 H HIS 53 H HIS 53 -1.081 25.132 17.244 447 HA HIS 53 HA HIS 53 1.424 25.059 16.054 448 1HB HIS 53 1HB HIS 53 -0.237 26.927 16.198 449 2HB HIS 53 2HB HIS 53 0.398 27.321 17.814 450 HD1 HIS 53 HD1 HIS 53 1.708 26.355 14.434 451 HD2 HIS 53 HD2 HIS 53 2.463 29.379 17.203 452 HE1 HIS 53 HE1 HIS 53 3.395 27.699 13.409 453 H LYS 54 H LYS 54 0.556 25.139 19.359 454 HA LYS 54 HA LYS 54 3.205 25.405 20.460 455 1HB LYS 54 1HB LYS 54 0.663 24.185 21.556 456 2HB LYS 54 2HB LYS 54 2.170 24.150 22.471 457 1HG LYS 54 1HG LYS 54 2.361 26.532 22.538 458 2HG LYS 54 2HG LYS 54 1.011 26.755 21.413 459 1HD LYS 54 1HD LYS 54 -0.533 25.704 23.050 460 2HD LYS 54 2HD LYS 54 0.818 25.483 24.183 461 1HE LYS 54 1HE LYS 54 1.150 27.937 24.286 462 2HE LYS 54 2HE LYS 54 -0.153 28.178 23.109 463 1HZ LYS 54 1HZ LYS 54 -0.447 27.016 25.794 464 2HZ LYS 54 2HZ LYS 54 -0.924 28.519 25.322 465 3HZ LYS 54 3HZ LYS 54 -1.666 27.188 24.698 466 H THR 55 H THR 55 1.368 22.575 19.414 467 HA THR 55 HA THR 55 3.450 20.691 20.303 468 HB THR 55 HB THR 55 1.118 20.330 18.373 469 HG1 THR 55 HG1 THR 55 1.515 19.697 21.115 470 1HG2 THR 55 1HG2 THR 55 3.015 18.306 19.556 471 2HG2 THR 55 2HG2 THR 55 1.425 17.913 18.840 472 3HG2 THR 55 3HG2 THR 55 2.669 18.661 17.845 473 H LEU 56 H LEU 56 2.791 22.398 17.315 474 HA LEU 56 HA LEU 56 4.837 21.037 15.943 475 1HB LEU 56 1HB LEU 56 3.053 22.759 15.001 476 2HB LEU 56 2HB LEU 56 4.152 23.999 15.524 477 HG LEU 56 HG LEU 56 4.159 23.623 13.201 478 1HD1 LEU 56 1HD1 LEU 56 6.830 23.016 14.445 479 2HD1 LEU 56 2HD1 LEU 56 6.506 23.760 12.883 480 3HD1 LEU 56 3HD1 LEU 56 6.077 24.615 14.395 481 1HD2 LEU 56 1HD2 LEU 56 5.846 21.645 12.428 482 2HD2 LEU 56 2HD2 LEU 56 5.226 20.831 13.844 483 3HD2 LEU 56 3HD2 LEU 56 4.126 21.307 12.557 484 H LYS 57 H LYS 57 4.928 24.064 17.817 485 HA LYS 57 HA LYS 57 7.759 24.318 17.530 486 1HB LYS 57 1HB LYS 57 6.137 25.136 20.012 487 2HB LYS 57 2HB LYS 57 7.685 25.810 19.501 488 1HG LYS 57 1HG LYS 57 6.318 26.677 17.415 489 2HG LYS 57 2HG LYS 57 4.922 26.348 18.438 490 1HD LYS 57 1HD LYS 57 5.883 27.696 20.266 491 2HD LYS 57 2HD LYS 57 7.203 28.194 19.211 492 1HE LYS 57 1HE LYS 57 4.221 28.717 18.777 493 2HE LYS 57 2HE LYS 57 5.410 29.895 19.345 494 1HZ LYS 57 1HZ LYS 57 4.984 30.178 17.037 495 2HZ LYS 57 2HZ LYS 57 6.543 29.681 17.238 496 3HZ LYS 57 3HZ LYS 57 5.390 28.631 16.693 497 H GLU 58 H GLU 58 5.976 22.285 19.686 498 HA GLU 58 HA GLU 58 8.171 21.938 21.503 499 1HB GLU 58 1HB GLU 58 5.534 20.361 21.078 500 2HB GLU 58 2HB GLU 58 6.682 19.833 22.233 501 1HG GLU 58 1HG GLU 58 5.873 22.840 22.395 502 2HG GLU 58 2HG GLU 58 4.781 21.664 23.070 503 H MET 59 H MET 59 6.597 19.826 19.009 504 HA MET 59 HA MET 59 8.654 17.874 19.167 505 1HB MET 59 1HB MET 59 6.930 18.572 16.821 506 2HB MET 59 2HB MET 59 7.717 17.044 17.075 507 1HG MET 59 1HG MET 59 6.184 16.514 18.949 508 2HG MET 59 2HG MET 59 5.383 18.064 18.765 509 1HE MET 59 1HE MET 59 3.670 17.642 15.212 510 2HE MET 59 2HE MET 59 4.223 18.835 16.407 511 3HE MET 59 3HE MET 59 5.375 18.049 15.344 512 H PHE 60 H PHE 60 8.105 20.566 16.822 513 HA PHE 60 HA PHE 60 10.784 20.182 15.711 514 1HB PHE 60 1HB PHE 60 8.489 21.864 14.865 515 2HB PHE 60 2HB PHE 60 10.039 21.747 14.153 516 HD1 PHE 60 HD1 PHE 60 6.772 19.631 14.729 517 HD2 PHE 60 HD2 PHE 60 10.585 19.725 12.602 518 HE1 PHE 60 HE1 PHE 60 6.124 17.785 13.335 519 HE2 PHE 60 HE2 PHE 60 9.861 17.883 11.272 520 HZ PHE 60 HZ PHE 60 7.615 16.880 11.610 521 HA PRO 61 HA PRO 61 10.971 24.219 18.258 522 1HB PRO 61 1HB PRO 61 13.442 24.210 19.323 523 2HB PRO 61 2HB PRO 61 12.141 23.170 19.989 524 1HG PRO 61 1HG PRO 61 14.354 22.387 18.089 525 2HG PRO 61 2HG PRO 61 13.815 21.528 19.559 526 1HD PRO 61 1HD PRO 61 13.048 20.954 17.007 527 2HD PRO 61 2HD PRO 61 11.993 20.588 18.440 528 H ILE 62 H ILE 62 12.882 22.902 15.734 529 HA ILE 62 HA ILE 62 14.400 25.206 15.052 530 HB ILE 62 HB ILE 62 13.507 22.893 13.366 531 1HG1 ILE 62 1HG1 ILE 62 14.740 21.941 15.231 532 2HG1 ILE 62 2HG1 ILE 62 15.716 21.844 13.770 533 1HG2 ILE 62 1HG2 ILE 62 14.164 24.644 11.969 534 2HG2 ILE 62 2HG2 ILE 62 15.746 24.718 12.800 535 3HG2 ILE 62 3HG2 ILE 62 15.263 23.267 11.875 536 1HD1 ILE 62 1HD1 ILE 62 16.039 23.895 16.009 537 2HD1 ILE 62 2HD1 ILE 62 17.091 22.514 15.666 538 3HD1 ILE 62 3HD1 ILE 62 17.008 23.857 14.515 539 H GLU 63 H GLU 63 11.326 23.710 13.983 540 HA GLU 63 HA GLU 63 10.620 25.603 11.985 541 1HB GLU 63 1HB GLU 63 9.052 23.787 13.827 542 2HB GLU 63 2HB GLU 63 8.287 24.848 12.665 543 1HG GLU 63 1HG GLU 63 8.684 22.319 12.071 544 2HG GLU 63 2HG GLU 63 8.709 23.591 10.872 545 H ALA 64 H ALA 64 11.024 26.039 15.367 546 HA ALA 64 HA ALA 64 9.600 28.579 15.202 547 1HB ALA 64 1HB ALA 64 8.567 28.216 17.379 548 2HB ALA 64 2HB ALA 64 8.103 26.909 16.252 549 3HB ALA 64 3HB ALA 64 9.335 26.608 17.506 550 H GLY 65 H GLY 65 12.309 27.919 14.872 551 1HA GLY 65 1HA GLY 65 13.469 29.622 16.916 552 2HA GLY 65 2HA GLY 65 14.107 27.944 16.818 553 H ALA 66 H ALA 66 14.363 27.358 14.235 554 HA ALA 66 HA ALA 66 16.322 29.335 13.385 555 1HB ALA 66 1HB ALA 66 15.540 26.760 11.999 556 2HB ALA 66 2HB ALA 66 17.008 27.709 11.720 557 3HB ALA 66 3HB ALA 66 16.803 26.851 13.262 558 H ILE 67 H ILE 67 13.150 28.385 12.815 559 HA ILE 67 HA ILE 67 12.911 30.075 10.359 560 HB ILE 67 HB ILE 67 10.953 28.019 11.444 561 1HG1 ILE 67 1HG1 ILE 67 13.355 27.793 9.538 562 2HG1 ILE 67 2HG1 ILE 67 13.054 26.835 10.992 563 1HG2 ILE 67 1HG2 ILE 67 11.272 29.301 8.693 564 2HG2 ILE 67 2HG2 ILE 67 10.131 27.993 9.086 565 3HG2 ILE 67 3HG2 ILE 67 9.926 29.548 9.826 566 1HD1 ILE 67 1HD1 ILE 67 11.680 26.546 8.325 567 2HD1 ILE 67 2HD1 ILE 67 12.763 25.420 9.149 568 3HD1 ILE 67 3HD1 ILE 67 11.163 25.730 9.830 569 H ASN 68 H ASN 68 12.798 30.586 13.487 570 HA ASN 68 HA ASN 68 10.348 32.223 13.359 571 1HB ASN 68 1HB ASN 68 11.717 30.942 15.524 572 2HB ASN 68 2HB ASN 68 11.649 32.670 15.855 573 1HD2 ASN 68 1HD2 ASN 68 9.338 30.529 14.076 574 2HD2 ASN 68 2HD2 ASN 68 7.958 30.930 15.070 575 HA PRO 69 HA PRO 69 12.944 35.943 13.579 576 1HB PRO 69 1HB PRO 69 15.638 36.036 13.035 577 2HB PRO 69 2HB PRO 69 15.024 35.551 14.643 578 1HG PRO 69 1HG PRO 69 15.972 33.755 12.410 579 2HG PRO 69 2HG PRO 69 16.272 33.610 14.157 580 1HD PRO 69 1HD PRO 69 14.273 32.237 12.753 581 2HD PRO 69 2HD PRO 69 14.201 32.587 14.520 582 H GLU 70 H GLU 70 14.526 34.077 11.068 583 HA GLU 70 HA GLU 70 14.215 36.147 9.123 584 1HB GLU 70 1HB GLU 70 14.987 33.165 9.114 585 2HB GLU 70 2HB GLU 70 14.325 33.720 7.618 586 1HG GLU 70 1HG GLU 70 15.867 35.727 7.560 587 2HG GLU 70 2HG GLU 70 16.506 35.331 9.135 588 H ASN 71 H ASN 71 12.162 33.500 10.166 589 HA ASN 71 HA ASN 71 10.067 34.609 8.355 590 1HB ASN 71 1HB ASN 71 10.948 31.899 8.428 591 2HB ASN 71 2HB ASN 71 9.548 31.888 9.453 592 1HD2 ASN 71 1HD2 ASN 71 7.646 31.733 8.605 593 2HD2 ASN 71 2HD2 ASN 71 7.264 31.987 6.900 594 H ARG 72 H ARG 72 10.692 35.993 10.525 595 HA ARG 72 HA ARG 72 8.763 35.438 12.674 596 1HB ARG 72 1HB ARG 72 10.908 36.852 12.906 597 2HB ARG 72 2HB ARG 72 10.039 38.133 12.059 598 1HG ARG 72 1HG ARG 72 8.258 37.943 13.893 599 2HG ARG 72 2HG ARG 72 9.312 36.782 14.706 600 1HD ARG 72 1HD ARG 72 10.011 39.692 14.051 601 2HD ARG 72 2HD ARG 72 9.489 39.074 15.610 602 HE ARG 72 HE ARG 72 11.501 38.039 16.009 603 1HH1 ARG 72 1HH1 ARG 72 11.571 39.412 12.735 604 2HH1 ARG 72 2HH1 ARG 72 13.298 39.306 12.584 605 1HH2 ARG 72 1HH2 ARG 72 13.775 37.962 15.831 606 2HH2 ARG 72 2HH2 ARG 72 14.564 38.501 14.376 607 H ILE 73 H ILE 73 7.338 35.015 10.623 608 HA ILE 73 HA ILE 73 5.237 36.988 10.522 609 HB ILE 73 HB ILE 73 5.090 36.457 7.983 610 1HG1 ILE 73 1HG1 ILE 73 7.267 34.955 8.119 611 2HG1 ILE 73 2HG1 ILE 73 6.843 35.913 6.708 612 1HG2 ILE 73 1HG2 ILE 73 5.263 38.674 8.893 613 2HG2 ILE 73 2HG2 ILE 73 7.026 38.547 8.991 614 3HG2 ILE 73 3HG2 ILE 73 6.215 38.519 7.410 615 1HD1 ILE 73 1HD1 ILE 73 9.217 36.120 7.102 616 2HD1 ILE 73 2HD1 ILE 73 8.475 37.682 7.332 617 3HD1 ILE 73 3HD1 ILE 73 8.964 36.735 8.740 618 H ILE 74 H ILE 74 5.633 34.781 12.050 619 HA ILE 74 HA ILE 74 3.684 32.755 11.066 620 HB ILE 74 HB ILE 74 5.901 32.456 13.147 621 1HG1 ILE 74 1HG1 ILE 74 5.803 30.738 10.673 622 2HG1 ILE 74 2HG1 ILE 74 6.524 32.335 10.558 623 1HG2 ILE 74 1HG2 ILE 74 3.862 31.145 13.689 624 2HG2 ILE 74 2HG2 ILE 74 3.866 30.442 12.066 625 3HG2 ILE 74 3HG2 ILE 74 5.159 30.054 13.204 626 1HD1 ILE 74 1HD1 ILE 74 7.385 30.183 12.567 627 2HD1 ILE 74 2HD1 ILE 74 8.223 30.612 11.076 628 3HD1 ILE 74 3HD1 ILE 74 8.109 31.790 12.389 629 HA PRO 75 HA PRO 75 1.626 35.021 14.221 630 1HB PRO 75 1HB PRO 75 -0.524 33.458 14.972 631 2HB PRO 75 2HB PRO 75 -0.395 34.352 13.430 632 1HG PRO 75 1HG PRO 75 0.305 31.447 13.935 633 2HG PRO 75 2HG PRO 75 -0.705 32.158 12.637 634 1HD PRO 75 1HD PRO 75 1.916 31.545 12.222 635 2HD PRO 75 2HD PRO 75 1.180 33.009 11.506 636 H HIS 76 H HIS 76 1.639 35.164 16.609 637 HA HIS 76 HA HIS 76 2.022 32.808 18.279 638 1HB HIS 76 1HB HIS 76 4.133 33.632 19.257 639 2HB HIS 76 2HB HIS 76 4.320 33.195 17.563 640 HD1 HIS 76 HD1 HIS 76 3.926 36.290 19.757 641 HD2 HIS 76 HD2 HIS 76 5.331 35.222 15.964 642 HE1 HIS 76 HE1 HIS 76 5.052 38.352 18.757 643 H LEU 77 H LEU 77 -0.078 34.628 17.924 644 HA LEU 77 HA LEU 77 0.042 36.705 19.937 645 1HB LEU 77 1HB LEU 77 -2.174 35.587 18.190 646 2HB LEU 77 2HB LEU 77 -2.397 36.934 19.299 647 HG LEU 77 HG LEU 77 -0.165 37.790 17.911 648 1HD1 LEU 77 1HD1 LEU 77 -0.323 35.896 16.284 649 2HD1 LEU 77 2HD1 LEU 77 -1.971 36.403 15.878 650 3HD1 LEU 77 3HD1 LEU 77 -0.599 37.464 15.515 651 1HD2 LEU 77 1HD2 LEU 77 -2.155 39.129 18.443 652 2HD2 LEU 77 2HD2 LEU 77 -1.696 39.311 16.741 653 3HD2 LEU 77 3HD2 LEU 77 -3.078 38.289 17.180 654 HA PRO 78 HA PRO 78 -1.430 34.251 23.328 655 1HB PRO 78 1HB PRO 78 -2.550 36.114 24.957 656 2HB PRO 78 2HB PRO 78 -0.806 36.139 24.572 657 1HG PRO 78 1HG PRO 78 -3.034 37.698 23.229 658 2HG PRO 78 2HG PRO 78 -1.519 38.355 23.920 659 1HD PRO 78 1HD PRO 78 -1.737 37.793 21.276 660 2HD PRO 78 2HD PRO 78 -0.223 37.435 22.158 661 H ALA 79 H ALA 79 -3.565 34.188 24.819 662 HA ALA 79 HA ALA 79 -5.718 33.402 23.036 663 1HB ALA 79 1HB ALA 79 -5.337 33.208 26.049 664 2HB ALA 79 2HB ALA 79 -6.678 32.463 25.170 665 3HB ALA 79 3HB ALA 79 -5.017 31.948 24.844 666 HA PRO 80 HA PRO 80 -8.396 36.866 23.225 667 1HB PRO 80 1HB PRO 80 -10.875 35.744 23.989 668 2HB PRO 80 2HB PRO 80 -10.165 35.767 22.352 669 1HG PRO 80 1HG PRO 80 -10.008 33.578 24.433 670 2HG PRO 80 2HG PRO 80 -10.421 33.436 22.693 671 1HD PRO 80 1HD PRO 80 -7.946 32.874 23.451 672 2HD PRO 80 2HD PRO 80 -8.186 33.968 22.053 673 H LYS 81 H LYS 81 -8.738 34.822 26.184 674 HA LYS 81 HA LYS 81 -9.961 36.877 27.714 675 1HB LYS 81 1HB LYS 81 -9.747 35.346 29.582 676 2HB LYS 81 2HB LYS 81 -10.289 34.519 28.127 677 1HG LYS 81 1HG LYS 81 -8.809 33.036 29.093 678 2HG LYS 81 2HG LYS 81 -7.854 33.740 27.786 679 1HD LYS 81 1HD LYS 81 -6.642 35.149 29.402 680 2HD LYS 81 2HD LYS 81 -7.754 34.664 30.697 681 1HE LYS 81 1HE LYS 81 -6.943 32.322 30.493 682 2HE LYS 81 2HE LYS 81 -5.854 32.815 29.181 683 1HZ LYS 81 1HZ LYS 81 -4.751 34.269 30.743 684 2HZ LYS 81 2HZ LYS 81 -5.758 33.790 31.956 685 3HZ LYS 81 3HZ LYS 81 -4.722 32.708 31.272 686 H TRP 82 H TRP 82 -7.134 37.314 26.511 687 HA TRP 82 HA TRP 82 -5.727 38.242 28.897 688 1HB TRP 82 1HB TRP 82 -5.048 38.203 25.935 689 2HB TRP 82 2HB TRP 82 -4.085 39.061 27.123 690 HD1 TRP 82 HD1 TRP 82 -5.449 35.428 27.276 691 HE1 TRP 82 HE1 TRP 82 -3.465 33.843 27.760 692 HE3 TRP 82 HE3 TRP 82 -1.633 38.848 27.314 693 HZ2 TRP 82 HZ2 TRP 82 -0.644 34.033 28.107 694 HZ3 TRP 82 HZ3 TRP 82 0.691 38.107 27.720 695 HH2 TRP 82 HH2 TRP 82 1.200 35.709 28.114 696 H PHE 83 H PHE 83 -7.756 39.313 26.215 697 HA PHE 83 HA PHE 83 -7.739 42.116 27.225 698 1HB PHE 83 1HB PHE 83 -7.877 41.351 24.307 699 2HB PHE 83 2HB PHE 83 -7.620 42.951 25.014 700 HD1 PHE 83 HD1 PHE 83 -6.033 40.344 23.295 701 HD2 PHE 83 HD2 PHE 83 -5.398 43.025 26.617 702 HE1 PHE 83 HE1 PHE 83 -3.586 40.049 23.071 703 HE2 PHE 83 HE2 PHE 83 -2.950 42.721 26.388 704 HZ PHE 83 HZ PHE 83 -2.037 41.234 24.618 705 H ASP 84 H ASP 84 -9.507 40.047 27.908 706 HA ASP 84 HA ASP 84 -11.775 39.417 26.776 707 1HB ASP 84 1HB ASP 84 -12.791 39.813 29.283 708 2HB ASP 84 2HB ASP 84 -11.315 38.879 29.230 709 H GLY 85 H GLY 85 -12.409 40.949 25.095 710 1HA GLY 85 1HA GLY 85 -14.679 42.404 25.513 711 2HA GLY 85 2HA GLY 85 -13.328 43.564 25.631 712 H GLN 86 H GLN 86 -13.875 44.516 23.486 713 HA GLN 86 HA GLN 86 -14.150 42.952 21.096 714 1HB GLN 86 1HB GLN 86 -13.286 45.851 21.525 715 2HB GLN 86 2HB GLN 86 -13.739 45.148 19.962 716 1HG GLN 86 1HG GLN 86 -16.000 44.653 20.797 717 2HG GLN 86 2HG GLN 86 -15.603 45.360 22.373 718 1HE2 GLN 86 1HE2 GLN 86 -17.714 46.198 20.476 719 2HE2 GLN 86 2HE2 GLN 86 -17.357 47.872 20.104 720 H ARG 87 H ARG 87 -11.373 43.722 22.931 721 HA ARG 87 HA ARG 87 -9.599 43.160 20.643 722 1HB ARG 87 1HB ARG 87 -9.222 44.059 23.598 723 2HB ARG 87 2HB ARG 87 -7.832 43.519 22.665 724 1HG ARG 87 1HG ARG 87 -8.305 45.207 20.912 725 2HG ARG 87 2HG ARG 87 -9.701 45.789 21.838 726 1HD ARG 87 1HD ARG 87 -8.210 46.496 23.684 727 2HD ARG 87 2HD ARG 87 -6.835 45.734 22.880 728 HE ARG 87 HE ARG 87 -6.563 47.505 21.508 729 1HH1 ARG 87 1HH1 ARG 87 -9.807 47.771 22.912 730 2HH1 ARG 87 2HH1 ARG 87 -10.106 49.360 22.261 731 1HH2 ARG 87 1HH2 ARG 87 -6.957 49.590 20.649 732 2HH2 ARG 87 2HH2 ARG 87 -8.466 50.400 20.958 733 H ALA 88 H ALA 88 -11.342 41.363 22.756 734 HA ALA 88 HA ALA 88 -9.435 39.119 22.878 735 1HB ALA 88 1HB ALA 88 -10.927 39.480 24.776 736 2HB ALA 88 2HB ALA 88 -12.352 39.244 23.729 737 3HB ALA 88 3HB ALA 88 -11.226 37.923 23.998 738 H ALA 89 H ALA 89 -12.322 40.325 21.398 739 HA ALA 89 HA ALA 89 -12.983 38.108 19.701 740 1HB ALA 89 1HB ALA 89 -13.707 41.057 19.411 741 2HB ALA 89 2HB ALA 89 -14.450 39.704 18.533 742 3HB ALA 89 3HB ALA 89 -14.637 39.830 20.294 743 H GLU 90 H GLU 90 -11.520 41.250 18.987 744 HA GLU 90 HA GLU 90 -10.622 40.541 16.341 745 1HB GLU 90 1HB GLU 90 -11.062 42.856 17.157 746 2HB GLU 90 2HB GLU 90 -9.665 42.739 18.238 747 1HG GLU 90 1HG GLU 90 -8.149 42.611 16.307 748 2HG GLU 90 2HG GLU 90 -9.538 42.587 15.199 749 H ASN 91 H ASN 91 -9.253 39.609 19.347 750 HA ASN 91 HA ASN 91 -6.535 39.349 18.221 751 1HB ASN 91 1HB ASN 91 -6.731 39.639 20.735 752 2HB ASN 91 2HB ASN 91 -7.844 38.280 20.853 753 1HD2 ASN 91 1HD2 ASN 91 -6.305 37.488 22.483 754 2HD2 ASN 91 2HD2 ASN 91 -4.925 36.577 21.895 755 H ARG 92 H ARG 92 -9.024 36.957 19.401 756 HA ARG 92 HA ARG 92 -7.793 34.885 17.866 757 1HB ARG 92 1HB ARG 92 -9.783 33.551 18.363 758 2HB ARG 92 2HB ARG 92 -9.093 34.329 19.777 759 1HG ARG 92 1HG ARG 92 -11.103 35.048 20.312 760 2HG ARG 92 2HG ARG 92 -11.061 36.170 18.961 761 1HD ARG 92 1HD ARG 92 -12.039 33.295 18.767 762 2HD ARG 92 2HD ARG 92 -13.093 34.663 19.175 763 HE ARG 92 HE ARG 92 -11.846 35.415 16.819 764 1HH1 ARG 92 1HH1 ARG 92 -14.025 32.833 17.893 765 2HH1 ARG 92 2HH1 ARG 92 -14.763 32.611 16.333 766 1HH2 ARG 92 1HH2 ARG 92 -12.809 35.110 14.746 767 2HH2 ARG 92 2HH2 ARG 92 -14.072 33.930 14.530 768 H GLN 93 H GLN 93 -10.104 37.315 16.956 769 HA GLN 93 HA GLN 93 -10.851 35.850 14.520 770 1HB GLN 93 1HB GLN 93 -12.462 37.287 15.635 771 2HB GLN 93 2HB GLN 93 -11.477 38.714 15.258 772 1HG GLN 93 1HG GLN 93 -11.851 38.415 12.882 773 2HG GLN 93 2HG GLN 93 -12.674 36.870 13.155 774 1HE2 GLN 93 1HE2 GLN 93 -14.740 36.983 14.507 775 2HE2 GLN 93 2HE2 GLN 93 -15.712 38.428 14.331 776 H GLY 94 H GLY 94 -8.081 37.694 15.368 777 1HA GLY 94 1HA GLY 94 -7.484 38.298 12.474 778 2HA GLY 94 2HA GLY 94 -6.693 39.008 13.877 779 H THR 95 H THR 95 -6.353 36.753 15.454 780 HA THR 95 HA THR 95 -3.950 35.628 14.479 781 HB THR 95 HB THR 95 -5.919 34.748 16.674 782 HG1 THR 95 HG1 THR 95 -5.081 36.664 17.212 783 1HG2 THR 95 1HG2 THR 95 -4.493 32.764 16.244 784 2HG2 THR 95 2HG2 THR 95 -3.029 33.759 16.327 785 3HG2 THR 95 3HG2 THR 95 -4.019 33.507 17.766 786 H LEU 96 H LEU 96 -7.237 34.206 14.659 787 HA LEU 96 HA LEU 96 -6.121 31.864 13.385 788 1HB LEU 96 1HB LEU 96 -8.311 31.719 14.557 789 2HB LEU 96 2HB LEU 96 -9.034 32.720 13.288 790 HG LEU 96 HG LEU 96 -8.279 30.896 11.536 791 1HD1 LEU 96 1HD1 LEU 96 -7.852 29.516 14.194 792 2HD1 LEU 96 2HD1 LEU 96 -8.034 28.608 12.702 793 3HD1 LEU 96 3HD1 LEU 96 -6.600 29.637 12.942 794 1HD2 LEU 96 1HD2 LEU 96 -9.952 30.167 13.809 795 2HD2 LEU 96 2HD2 LEU 96 -10.508 31.119 12.397 796 3HD2 LEU 96 3HD2 LEU 96 -10.066 29.378 12.259 797 H THR 97 H THR 97 -7.934 34.626 12.220 798 HA THR 97 HA THR 97 -8.071 34.033 9.466 799 HB THR 97 HB THR 97 -7.956 36.627 11.045 800 HG1 THR 97 HG1 THR 97 -9.835 35.524 9.224 801 1HG2 THR 97 1HG2 THR 97 -7.883 36.590 8.060 802 2HG2 THR 97 2HG2 THR 97 -8.355 37.962 9.105 803 3HG2 THR 97 3HG2 THR 97 -6.713 37.320 9.200 804 H GLU 98 H GLU 98 -5.284 35.155 11.273 805 HA GLU 98 HA GLU 98 -3.767 35.329 8.742 806 1HB GLU 98 1HB GLU 98 -3.507 37.036 10.689 807 2HB GLU 98 2HB GLU 98 -2.823 35.708 11.641 808 1HG GLU 98 1HG GLU 98 -1.071 35.461 9.823 809 2HG GLU 98 2HG GLU 98 -1.753 36.914 9.066 810 H TYR 99 H TYR 99 -3.928 33.262 11.630 811 HA TYR 99 HA TYR 99 -1.758 31.818 10.657 812 1HB TYR 99 1HB TYR 99 -2.889 31.315 13.013 813 2HB TYR 99 2HB TYR 99 -3.890 30.212 12.118 814 HD1 TYR 99 HD1 TYR 99 -0.296 30.395 10.829 815 HD2 TYR 99 HD2 TYR 99 -2.936 28.379 13.647 816 HE1 TYR 99 HE1 TYR 99 1.353 28.625 11.168 817 HE2 TYR 99 HE2 TYR 99 -1.209 26.634 13.922 818 HH TYR 99 HH TYR 99 0.688 25.817 13.091 819 H CYS 100 H CYS 100 -5.155 31.619 9.757 820 HA CYS 100 HA CYS 100 -4.956 29.097 8.424 821 1HB CYS 100 1HB CYS 100 -7.153 30.280 8.951 822 2HB CYS 100 2HB CYS 100 -6.789 31.434 7.647 823 HG CYS 100 HG CYS 100 -6.526 29.605 5.780 824 H SER 101 H SER 101 -4.582 32.452 7.239 825 HA SER 101 HA SER 101 -3.807 31.639 4.589 826 1HB SER 101 1HB SER 101 -3.227 34.169 6.243 827 2HB SER 101 2HB SER 101 -3.001 34.051 4.489 828 HG SER 101 HG SER 101 -5.263 33.584 4.349 829 H THR 102 H THR 102 -2.006 32.091 7.533 830 HA THR 102 HA THR 102 0.606 31.925 6.279 831 HB THR 102 HB THR 102 -0.225 32.165 9.196 832 HG1 THR 102 HG1 THR 102 -0.894 33.935 8.078 833 1HG2 THR 102 1HG2 THR 102 2.466 32.568 7.911 834 2HG2 THR 102 2HG2 THR 102 1.976 33.258 9.461 835 3HG2 THR 102 3HG2 THR 102 1.992 31.496 9.280 836 H LEU 103 H LEU 103 -1.447 29.673 7.939 837 HA LEU 103 HA LEU 103 0.570 27.686 8.289 838 1HB LEU 103 1HB LEU 103 -2.281 27.882 8.595 839 2HB LEU 103 2HB LEU 103 -2.156 26.559 7.735 840 HG LEU 103 HG LEU 103 -0.880 26.786 10.435 841 1HD1 LEU 103 1HD1 LEU 103 -2.706 26.373 11.497 842 2HD1 LEU 103 2HD1 LEU 103 -3.547 26.976 10.100 843 3HD1 LEU 103 3HD1 LEU 103 -3.354 25.240 10.300 844 1HD2 LEU 103 1HD2 LEU 103 -1.903 24.178 9.276 845 2HD2 LEU 103 2HD2 LEU 103 -0.222 24.644 8.983 846 3HD2 LEU 103 3HD2 LEU 103 -0.828 24.416 10.621 847 H MET 104 H MET 104 -1.396 28.725 5.556 848 HA MET 104 HA MET 104 -0.252 26.632 3.794 849 1HB MET 104 1HB MET 104 -2.768 27.852 3.805 850 2HB MET 104 2HB MET 104 -1.882 28.914 2.716 851 1HG MET 104 1HG MET 104 -2.589 27.398 1.173 852 2HG MET 104 2HG MET 104 -1.128 26.545 1.650 853 1HE MET 104 1HE MET 104 -1.400 24.635 3.901 854 2HE MET 104 2HE MET 104 -2.532 25.727 4.739 855 3HE MET 104 3HE MET 104 -3.019 24.074 4.350 856 H SER 105 H SER 105 0.684 29.602 4.848 857 HA SER 105 HA SER 105 2.148 30.221 2.363 858 1HB SER 105 1HB SER 105 1.025 32.121 4.041 859 2HB SER 105 2HB SER 105 2.467 31.761 4.992 860 HG SER 105 HG SER 105 2.740 33.474 3.502 861 H LEU 106 H LEU 106 2.876 29.292 5.794 862 HA LEU 106 HA LEU 106 5.269 29.576 5.874 863 1HB LEU 106 1HB LEU 106 3.896 27.063 6.843 864 2HB LEU 106 2HB LEU 106 5.478 27.654 7.331 865 HG LEU 106 HG LEU 106 2.843 28.696 8.203 866 1HD1 LEU 106 1HD1 LEU 106 3.825 27.275 9.654 867 2HD1 LEU 106 2HD1 LEU 106 5.432 28.078 9.547 868 3HD1 LEU 106 3HD1 LEU 106 4.051 28.872 10.334 869 1HD2 LEU 106 1HD2 LEU 106 5.410 30.344 8.152 870 2HD2 LEU 106 2HD2 LEU 106 3.866 30.778 7.358 871 3HD2 LEU 106 3HD2 LEU 106 3.983 30.719 9.119 872 HA PRO 107 HA PRO 107 7.571 27.490 2.901 873 1HB PRO 107 1HB PRO 107 10.125 27.892 3.639 874 2HB PRO 107 2HB PRO 107 9.065 29.245 3.113 875 1HG PRO 107 1HG PRO 107 9.769 28.392 5.946 876 2HG PRO 107 2HG PRO 107 9.726 30.055 5.297 877 1HD PRO 107 1HD PRO 107 7.686 28.789 6.711 878 2HD PRO 107 2HD PRO 107 7.440 30.187 5.618 879 H THR 108 H THR 108 7.275 26.510 6.010 880 HA THR 108 HA THR 108 8.968 24.080 5.836 881 HB THR 108 HB THR 108 7.545 23.769 8.048 882 HG1 THR 108 HG1 THR 108 6.000 25.303 7.454 883 1HG2 THR 108 1HG2 THR 108 9.918 24.479 8.055 884 2HG2 THR 108 2HG2 THR 108 9.356 26.169 7.951 885 3HG2 THR 108 3HG2 THR 108 8.973 25.174 9.376 886 H LYS 109 H LYS 109 7.388 24.351 3.692 887 HA LYS 109 HA LYS 109 4.913 22.953 4.328 888 1HB LYS 109 1HB LYS 109 5.771 24.604 2.135 889 2HB LYS 109 2HB LYS 109 6.022 23.024 1.436 890 1HG LYS 109 1HG LYS 109 3.893 23.878 0.751 891 2HG LYS 109 2HG LYS 109 3.595 22.495 1.814 892 1HD LYS 109 1HD LYS 109 2.970 23.926 3.653 893 2HD LYS 109 2HD LYS 109 3.565 25.382 2.843 894 1HE LYS 109 1HE LYS 109 1.331 23.679 1.663 895 2HE LYS 109 2HE LYS 109 1.007 24.925 2.873 896 1HZ LYS 109 1HZ LYS 109 1.805 26.581 1.460 897 2HZ LYS 109 2HZ LYS 109 2.416 25.501 0.364 898 3HZ LYS 109 3HZ LYS 109 0.790 25.666 0.563 899 H ILE 110 H ILE 110 7.841 21.857 4.332 900 HA ILE 110 HA ILE 110 7.037 19.100 3.543 901 HB ILE 110 HB ILE 110 9.814 20.294 4.020 902 1HG1 ILE 110 1HG1 ILE 110 8.446 19.478 1.410 903 2HG1 ILE 110 2HG1 ILE 110 8.756 21.137 1.938 904 1HG2 ILE 110 1HG2 ILE 110 9.024 17.529 2.996 905 2HG2 ILE 110 2HG2 ILE 110 10.683 18.140 3.168 906 3HG2 ILE 110 3HG2 ILE 110 9.706 17.878 4.599 907 1HD1 ILE 110 1HD1 ILE 110 10.848 19.085 1.161 908 2HD1 ILE 110 2HD1 ILE 110 10.439 20.606 0.361 909 3HD1 ILE 110 3HD1 ILE 110 11.219 20.636 1.955 910 H SER 111 H SER 111 8.180 21.143 6.185 911 HA SER 111 HA SER 111 8.210 18.860 7.995 912 1HB SER 111 1HB SER 111 8.894 20.601 9.707 913 2HB SER 111 2HB SER 111 10.026 20.179 8.413 914 HG SER 111 HG SER 111 9.821 22.427 8.770 915 H ARG 112 H ARG 112 6.182 21.685 7.386 916 HA ARG 112 HA ARG 112 4.400 20.857 9.624 917 1HB ARG 112 1HB ARG 112 4.363 23.304 7.837 918 2HB ARG 112 2HB ARG 112 3.066 22.863 8.944 919 1HG ARG 112 1HG ARG 112 4.588 22.860 10.849 920 2HG ARG 112 2HG ARG 112 5.947 23.344 9.815 921 1HD ARG 112 1HD ARG 112 4.757 25.410 9.230 922 2HD ARG 112 2HD ARG 112 3.327 24.882 10.110 923 HE ARG 112 HE ARG 112 4.198 25.466 12.113 924 1HH1 ARG 112 1HH1 ARG 112 6.828 25.764 9.732 925 2HH1 ARG 112 2HH1 ARG 112 7.867 26.629 10.828 926 1HH2 ARG 112 1HH2 ARG 112 5.564 26.713 13.483 927 2HH2 ARG 112 2HH2 ARG 112 7.174 27.130 12.943 928 H CYS 113 H CYS 113 4.746 19.912 6.389 929 HA CYS 113 HA CYS 113 2.057 19.821 5.535 930 1HB CYS 113 1HB CYS 113 3.541 19.336 3.886 931 2HB CYS 113 2HB CYS 113 4.468 18.142 4.810 932 HG CYS 113 HG CYS 113 2.577 16.347 4.814 933 HA PRO 114 HA PRO 114 1.265 15.556 7.549 934 1HB PRO 114 1HB PRO 114 3.064 14.534 9.385 935 2HB PRO 114 2HB PRO 114 3.154 14.175 7.636 936 1HG PRO 114 1HG PRO 114 4.669 16.319 9.156 937 2HG PRO 114 2HG PRO 114 5.337 15.108 8.022 938 1HD PRO 114 1HD PRO 114 4.813 17.589 7.181 939 2HD PRO 114 2HD PRO 114 4.342 16.205 6.150 940 H HIS 115 H HIS 115 2.749 18.125 9.395 941 HA HIS 115 HA HIS 115 1.134 17.477 11.646 942 1HB HIS 115 1HB HIS 115 3.195 18.956 11.657 943 2HB HIS 115 2HB HIS 115 2.127 20.274 11.179 944 HD1 HIS 115 HD1 HIS 115 1.233 17.477 13.689 945 HD2 HIS 115 HD2 HIS 115 2.131 21.567 13.672 946 HE1 HIS 115 HE1 HIS 115 0.807 18.362 16.036 947 H LEU 116 H LEU 116 0.643 19.852 8.890 948 HA LEU 116 HA LEU 116 -1.677 20.616 9.770 949 1HB LEU 116 1HB LEU 116 -0.464 21.478 7.641 950 2HB LEU 116 2HB LEU 116 -1.293 20.209 6.742 951 HG LEU 116 HG LEU 116 -2.232 22.772 7.798 952 1HD1 LEU 116 1HD1 LEU 116 -3.753 20.817 5.909 953 2HD1 LEU 116 2HD1 LEU 116 -4.024 22.543 5.994 954 3HD1 LEU 116 3HD1 LEU 116 -2.541 21.919 5.246 955 1HD2 LEU 116 1HD2 LEU 116 -4.361 22.498 8.270 956 2HD2 LEU 116 2HD2 LEU 116 -4.301 20.729 8.094 957 3HD2 LEU 116 3HD2 LEU 116 -3.399 21.595 9.377 958 H LEU 117 H LEU 117 -1.009 17.936 7.582 959 HA LEU 117 HA LEU 117 -3.638 16.820 7.229 960 1HB LEU 117 1HB LEU 117 -0.965 15.412 7.344 961 2HB LEU 117 2HB LEU 117 -2.513 14.643 7.063 962 HG LEU 117 HG LEU 117 -2.696 16.399 4.953 963 1HD1 LEU 117 1HD1 LEU 117 0.255 16.217 5.457 964 2HD1 LEU 117 2HD1 LEU 117 -0.523 16.637 3.917 965 3HD1 LEU 117 3HD1 LEU 117 -0.761 17.690 5.310 966 1HD2 LEU 117 1HD2 LEU 117 -0.924 14.028 4.815 967 2HD2 LEU 117 2HD2 LEU 117 -2.701 13.913 5.034 968 3HD2 LEU 117 3HD2 LEU 117 -2.065 14.775 3.651 969 H ASP 118 H ASP 118 -1.371 16.365 9.926 970 HA ASP 118 HA ASP 118 -3.315 14.786 11.397 971 1HB ASP 118 1HB ASP 118 -0.761 16.328 12.087 972 2HB ASP 118 2HB ASP 118 -1.674 15.577 13.362 973 H PHE 119 H PHE 119 -3.418 18.036 10.740 974 HA PHE 119 HA PHE 119 -4.552 19.077 13.262 975 1HB PHE 119 1HB PHE 119 -3.133 20.179 11.144 976 2HB PHE 119 2HB PHE 119 -4.757 20.449 10.524 977 HD1 PHE 119 HD1 PHE 119 -2.185 22.564 11.038 978 HD2 PHE 119 HD2 PHE 119 -5.809 21.451 13.113 979 HE1 PHE 119 HE1 PHE 119 -2.207 24.596 12.237 980 HE2 PHE 119 HE2 PHE 119 -5.812 23.641 14.312 981 HZ PHE 119 HZ PHE 119 -3.957 25.231 13.855 982 H PHE 120 H PHE 120 -5.305 18.060 10.093 983 HA PHE 120 HA PHE 120 -8.242 18.437 10.407 984 1HB PHE 120 1HB PHE 120 -6.244 17.754 8.129 985 2HB PHE 120 2HB PHE 120 -7.979 17.952 7.897 986 HD1 PHE 120 HD1 PHE 120 -6.427 19.458 6.180 987 HD2 PHE 120 HD2 PHE 120 -7.363 20.458 10.254 988 HE1 PHE 120 HE1 PHE 120 -6.292 21.855 5.631 989 HE2 PHE 120 HE2 PHE 120 -7.213 22.816 9.734 990 HZ PHE 120 HZ PHE 120 -6.693 23.552 7.417 991 H LYS 121 H LYS 121 -6.105 15.793 9.343 992 HA LYS 121 HA LYS 121 -8.204 13.944 9.030 993 1HB LYS 121 1HB LYS 121 -6.724 12.280 8.613 994 2HB LYS 121 2HB LYS 121 -5.856 13.739 8.117 995 1HG LYS 121 1HG LYS 121 -4.864 13.725 10.459 996 2HG LYS 121 2HG LYS 121 -5.509 12.098 10.669 997 1HD LYS 121 1HD LYS 121 -3.554 12.959 8.479 998 2HD LYS 121 2HD LYS 121 -3.103 12.193 10.006 999 1HE LYS 121 1HE LYS 121 -4.556 10.220 9.401 1000 2HE LYS 121 2HE LYS 121 -4.814 10.955 7.805 1001 1HZ LYS 121 1HZ LYS 121 -3.023 9.356 7.804 1002 2HZ LYS 121 2HZ LYS 121 -2.458 10.850 7.437 1003 3HZ LYS 121 3HZ LYS 121 -2.194 10.228 8.933 1004 H VAL 122 H VAL 122 -6.444 14.888 11.855 1005 HA VAL 122 HA VAL 122 -7.670 12.782 13.495 1006 HB VAL 122 HB VAL 122 -5.867 15.045 14.389 1007 1HG1 VAL 122 1HG1 VAL 122 -7.140 13.928 16.216 1008 2HG1 VAL 122 2HG1 VAL 122 -6.578 12.347 15.635 1009 3HG1 VAL 122 3HG1 VAL 122 -5.417 13.523 16.283 1010 1HG2 VAL 122 1HG2 VAL 122 -4.111 13.190 14.216 1011 2HG2 VAL 122 2HG2 VAL 122 -5.325 12.227 13.331 1012 3HG2 VAL 122 3HG2 VAL 122 -4.735 13.754 12.673 1013 H ARG 123 H ARG 123 -7.838 16.385 13.209 1014 HA ARG 123 HA ARG 123 -9.430 17.823 14.159 1015 1HB ARG 123 1HB ARG 123 -11.688 17.337 13.447 1016 2HB ARG 123 2HB ARG 123 -10.464 17.394 12.194 1017 1HG ARG 123 1HG ARG 123 -10.436 14.850 12.133 1018 2HG ARG 123 2HG ARG 123 -11.753 14.863 13.313 1019 1HD ARG 123 1HD ARG 123 -13.001 16.315 11.585 1020 2HD ARG 123 2HD ARG 123 -11.701 15.912 10.457 1021 HE ARG 123 HE ARG 123 -12.401 13.463 11.316 1022 1HH1 ARG 123 1HH1 ARG 123 -14.679 16.059 10.368 1023 2HH1 ARG 123 2HH1 ARG 123 -15.605 15.015 9.355 1024 1HH2 ARG 123 1HH2 ARG 123 -13.835 12.086 10.216 1025 2HH2 ARG 123 2HH2 ARG 123 -15.246 12.729 9.424 1026 HA PRO 124 HA PRO 124 -10.436 15.659 17.953 1027 1HB PRO 124 1HB PRO 124 -8.661 16.760 19.761 1028 2HB PRO 124 2HB PRO 124 -8.206 15.427 18.665 1029 1HG PRO 124 1HG PRO 124 -7.748 18.376 18.240 1030 2HG PRO 124 2HG PRO 124 -6.563 17.056 18.075 1031 1HD PRO 124 1HD PRO 124 -7.938 18.129 15.954 1032 2HD PRO 124 2HD PRO 124 -7.451 16.420 16.012 1033 H ASP 125 H ASP 125 -11.714 17.666 16.602 1034 HA ASP 125 HA ASP 125 -13.225 18.630 18.782 1035 1HB ASP 125 1HB ASP 125 -11.386 20.475 18.145 1036 2HB ASP 125 2HB ASP 125 -12.460 20.794 16.787 1037 H ASP 126 H ASP 126 -13.120 16.997 16.083 1038 HA ASP 126 HA ASP 126 -15.827 17.753 15.118 1039 1HB ASP 126 1HB ASP 126 -13.936 17.703 13.453 1040 2HB ASP 126 2HB ASP 126 -13.581 16.044 13.942 1041 H LEU 127 H LEU 127 -13.666 14.963 15.887 1042 HA LEU 127 HA LEU 127 -15.936 13.577 17.180 1043 1HB LEU 127 1HB LEU 127 -14.137 12.717 14.835 1044 2HB LEU 127 2HB LEU 127 -14.765 11.435 15.791 1045 HG LEU 127 HG LEU 127 -16.836 13.331 14.418 1046 1HD1 LEU 127 1HD1 LEU 127 -15.503 12.054 12.794 1047 2HD1 LEU 127 2HD1 LEU 127 -15.843 10.558 13.702 1048 3HD1 LEU 127 3HD1 LEU 127 -17.173 11.471 12.951 1049 1HD2 LEU 127 1HD2 LEU 127 -17.634 12.244 16.497 1050 2HD2 LEU 127 2HD2 LEU 127 -18.338 11.525 15.046 1051 3HD2 LEU 127 3HD2 LEU 127 -17.041 10.677 15.905 1052 H LYS 128 H LYS 128 -13.353 14.994 18.001 1053 HA LYS 128 HA LYS 128 -12.736 13.040 20.000 1054 1HB LYS 128 1HB LYS 128 -10.937 13.504 17.652 1055 2HB LYS 128 2HB LYS 128 -10.066 13.882 19.113 1056 1HG LYS 128 1HG LYS 128 -11.579 11.255 18.878 1057 2HG LYS 128 2HG LYS 128 -9.984 11.491 18.173 1058 1HD LYS 128 1HD LYS 128 -9.737 10.454 20.319 1059 2HD LYS 128 2HD LYS 128 -9.021 12.073 20.347 1060 1HE LYS 128 1HE LYS 128 -10.966 12.945 21.585 1061 2HE LYS 128 2HE LYS 128 -11.783 11.370 21.458 1062 1HZ LYS 128 1HZ LYS 128 -10.744 11.721 23.572 1063 2HZ LYS 128 2HZ LYS 128 -10.033 10.451 22.799 1064 3HZ LYS 128 3HZ LYS 128 -9.267 11.912 22.875 1065 H LEU 129 H LEU 129 -14.129 15.183 19.953 1066 HA LEU 129 HA LEU 129 -13.208 17.660 20.656 1067 1HB LEU 129 1HB LEU 129 -15.604 15.995 21.600 1068 2HB LEU 129 2HB LEU 129 -15.594 17.696 21.867 1069 HG LEU 129 HG LEU 129 -15.440 16.831 18.881 1070 1HD1 LEU 129 1HD1 LEU 129 -17.057 15.324 19.936 1071 2HD1 LEU 129 2HD1 LEU 129 -17.857 16.718 20.705 1072 3HD1 LEU 129 3HD1 LEU 129 -17.837 16.562 18.928 1073 1HD2 LEU 129 1HD2 LEU 129 -16.866 18.740 18.653 1074 2HD2 LEU 129 2HD2 LEU 129 -16.944 19.007 20.398 1075 3HD2 LEU 129 3HD2 LEU 129 -15.407 19.239 19.541 1076 HA PRO 130 HA PRO 130 -11.753 17.641 24.758 1077 1HB PRO 130 1HB PRO 130 -13.761 19.611 25.746 1078 2HB PRO 130 2HB PRO 130 -11.981 19.750 25.734 1079 1HG PRO 130 1HG PRO 130 -13.449 21.178 23.948 1080 2HG PRO 130 2HG PRO 130 -11.990 20.307 23.388 1081 1HD PRO 130 1HD PRO 130 -14.850 19.318 23.362 1082 2HD PRO 130 2HD PRO 130 -13.764 19.483 21.959 Start of MODEL 15 1 1H GLY 1 1H GLY 1 -5.695 -1.473 -2.832 2 2H GLY 1 2H GLY 1 -6.789 -1.099 -1.677 3 3H GLY 1 3H GLY 1 -7.156 -0.824 -3.269 4 1HA GLY 1 1HA GLY 1 -5.447 0.822 -3.436 5 2HA GLY 1 2HA GLY 1 -6.617 1.223 -2.163 6 H SER 2 H SER 2 -4.480 2.544 -1.646 7 HA SER 2 HA SER 2 -3.319 1.406 0.717 8 1HB SER 2 1HB SER 2 -1.890 0.339 -1.123 9 2HB SER 2 2HB SER 2 -1.401 1.978 -1.589 10 HG SER 2 HG SER 2 -0.970 0.619 0.868 11 H MET 3 H MET 3 -1.126 3.177 0.820 12 HA MET 3 HA MET 3 -0.640 5.249 1.559 13 1HB MET 3 1HB MET 3 -0.740 5.528 -0.991 14 2HB MET 3 2HB MET 3 -2.330 6.250 -0.759 15 1HG MET 3 1HG MET 3 -1.123 8.153 -0.774 16 2HG MET 3 2HG MET 3 -0.933 7.841 0.939 17 1HE MET 3 1HE MET 3 2.805 6.530 1.056 18 2HE MET 3 2HE MET 3 1.310 6.784 1.982 19 3HE MET 3 3HE MET 3 1.443 5.425 0.825 20 H GLY 4 H GLY 4 -2.326 4.304 3.233 21 1HA GLY 4 1HA GLY 4 -4.764 5.882 3.598 22 2HA GLY 4 2HA GLY 4 -4.056 4.702 4.725 23 H ASP 5 H ASP 5 -3.208 7.806 3.242 24 HA ASP 5 HA ASP 5 -3.131 9.168 5.731 25 1HB ASP 5 1HB ASP 5 -0.761 7.944 5.661 26 2HB ASP 5 2HB ASP 5 -0.406 8.826 4.194 27 H THR 6 H THR 6 -1.872 9.122 2.423 28 HA THR 6 HA THR 6 -1.698 10.549 0.752 29 HB THR 6 HB THR 6 -3.958 9.589 0.610 30 HG1 THR 6 HG1 THR 6 -4.414 10.858 -1.115 31 1HG2 THR 6 1HG2 THR 6 -5.007 10.821 2.384 32 2HG2 THR 6 2HG2 THR 6 -4.661 12.379 1.604 33 3HG2 THR 6 3HG2 THR 6 -5.755 11.237 0.802 34 H PHE 7 H PHE 7 -3.124 12.923 0.213 35 HA PHE 7 HA PHE 7 -1.490 14.887 1.821 36 1HB PHE 7 1HB PHE 7 -1.483 14.647 -1.128 37 2HB PHE 7 2HB PHE 7 -0.431 15.583 -0.108 38 HD1 PHE 7 HD1 PHE 7 -0.938 12.116 -1.531 39 HD2 PHE 7 HD2 PHE 7 1.009 14.094 1.851 40 HE1 PHE 7 HE1 PHE 7 0.484 10.225 -1.188 41 HE2 PHE 7 HE2 PHE 7 2.387 12.162 2.135 42 HZ PHE 7 HZ PHE 7 2.178 10.201 0.636 43 H ILE 8 H ILE 8 -1.847 17.149 0.601 44 HA ILE 8 HA ILE 8 -4.785 17.553 0.710 45 HB ILE 8 HB ILE 8 -2.652 18.682 2.460 46 1HG1 ILE 8 1HG1 ILE 8 -5.596 17.864 2.749 47 2HG1 ILE 8 2HG1 ILE 8 -4.183 16.876 3.163 48 1HG2 ILE 8 1HG2 ILE 8 -5.159 20.315 1.952 49 2HG2 ILE 8 2HG2 ILE 8 -3.855 20.643 3.105 50 3HG2 ILE 8 3HG2 ILE 8 -3.518 20.759 1.400 51 1HD1 ILE 8 1HD1 ILE 8 -5.113 17.796 5.152 52 2HD1 ILE 8 2HD1 ILE 8 -3.547 18.597 4.848 53 3HD1 ILE 8 3HD1 ILE 8 -5.082 19.438 4.469 54 H ARG 9 H ARG 9 -5.639 19.572 0.027 55 HA ARG 9 HA ARG 9 -4.209 20.542 -2.402 56 1HB ARG 9 1HB ARG 9 -6.688 19.350 -2.396 57 2HB ARG 9 2HB ARG 9 -7.238 20.914 -1.865 58 1HG ARG 9 1HG ARG 9 -5.673 20.310 -4.411 59 2HG ARG 9 2HG ARG 9 -7.399 20.672 -4.275 60 1HD ARG 9 1HD ARG 9 -6.765 22.970 -3.354 61 2HD ARG 9 2HD ARG 9 -5.083 22.566 -3.702 62 HE ARG 9 HE ARG 9 -5.361 22.834 -5.925 63 1HH1 ARG 9 1HH1 ARG 9 -8.566 22.890 -4.417 64 2HH1 ARG 9 2HH1 ARG 9 -9.363 23.552 -5.819 65 1HH2 ARG 9 1HH2 ARG 9 -6.406 23.707 -7.766 66 2HH2 ARG 9 2HH2 ARG 9 -8.119 24.016 -7.744 67 H HIS 10 H HIS 10 -6.573 21.648 0.067 68 HA HIS 10 HA HIS 10 -4.895 23.640 1.065 69 1HB HIS 10 1HB HIS 10 -5.193 25.462 -0.242 70 2HB HIS 10 2HB HIS 10 -5.797 24.426 -1.501 71 HD1 HIS 10 HD1 HIS 10 -6.577 27.541 -0.504 72 HD2 HIS 10 HD2 HIS 10 -8.955 24.101 -0.618 73 HE1 HIS 10 HE1 HIS 10 -9.014 28.277 -0.607 74 H ILE 11 H ILE 11 -6.140 25.606 2.059 75 HA ILE 11 HA ILE 11 -8.352 24.469 3.599 76 HB ILE 11 HB ILE 11 -6.696 26.718 4.691 77 1HG1 ILE 11 1HG1 ILE 11 -5.893 23.809 4.975 78 2HG1 ILE 11 2HG1 ILE 11 -5.034 25.023 4.040 79 1HG2 ILE 11 1HG2 ILE 11 -8.808 26.140 5.802 80 2HG2 ILE 11 2HG2 ILE 11 -8.366 24.440 5.870 81 3HG2 ILE 11 3HG2 ILE 11 -7.497 25.652 6.845 82 1HD1 ILE 11 1HD1 ILE 11 -4.646 26.396 6.027 83 2HD1 ILE 11 2HD1 ILE 11 -5.345 25.124 7.049 84 3HD1 ILE 11 3HD1 ILE 11 -3.891 24.792 6.102 85 H ALA 12 H ALA 12 -10.161 25.844 4.089 86 HA ALA 12 HA ALA 12 -10.264 28.582 3.051 87 1HB ALA 12 1HB ALA 12 -12.602 28.040 2.250 88 2HB ALA 12 2HB ALA 12 -11.368 27.192 1.296 89 3HB ALA 12 3HB ALA 12 -12.286 26.322 2.538 90 H LEU 13 H LEU 13 -11.748 29.746 4.635 91 HA LEU 13 HA LEU 13 -12.532 28.012 6.821 92 1HB LEU 13 1HB LEU 13 -10.562 29.373 7.227 93 2HB LEU 13 2HB LEU 13 -11.471 30.859 7.166 94 HG LEU 13 HG LEU 13 -12.030 28.688 9.417 95 1HD1 LEU 13 1HD1 LEU 13 -9.589 28.943 9.101 96 2HD1 LEU 13 2HD1 LEU 13 -9.797 30.689 9.392 97 3HD1 LEU 13 3HD1 LEU 13 -10.256 29.481 10.621 98 1HD2 LEU 13 1HD2 LEU 13 -13.483 30.694 9.395 99 2HD2 LEU 13 2HD2 LEU 13 -12.429 30.544 10.804 100 3HD2 LEU 13 3HD2 LEU 13 -12.022 31.706 9.533 101 H LEU 14 H LEU 14 -14.585 28.315 7.696 102 HA LEU 14 HA LEU 14 -16.310 29.820 5.774 103 1HB LEU 14 1HB LEU 14 -16.628 27.263 7.145 104 2HB LEU 14 2HB LEU 14 -17.596 28.307 8.066 105 HG LEU 14 HG LEU 14 -18.621 29.175 5.848 106 1HD1 LEU 14 1HD1 LEU 14 -17.699 26.620 4.522 107 2HD1 LEU 14 2HD1 LEU 14 -18.265 28.103 3.788 108 3HD1 LEU 14 3HD1 LEU 14 -16.628 28.017 4.445 109 1HD2 LEU 14 1HD2 LEU 14 -20.127 27.219 5.607 110 2HD2 LEU 14 2HD2 LEU 14 -19.013 26.254 6.601 111 3HD2 LEU 14 3HD2 LEU 14 -19.841 27.658 7.302 112 H GLY 15 H GLY 15 -15.724 29.455 9.240 113 1HA GLY 15 1HA GLY 15 -15.339 32.163 9.720 114 2HA GLY 15 2HA GLY 15 -17.091 32.127 9.584 115 H PHE 16 H PHE 16 -18.242 31.848 11.300 116 HA PHE 16 HA PHE 16 -16.932 31.544 13.883 117 1HB PHE 16 1HB PHE 16 -19.832 31.933 13.276 118 2HB PHE 16 2HB PHE 16 -19.011 32.281 14.757 119 HD1 PHE 16 HD1 PHE 16 -16.459 33.880 13.774 120 HD2 PHE 16 HD2 PHE 16 -20.587 34.174 12.348 121 HE1 PHE 16 HE1 PHE 16 -16.070 36.090 12.967 122 HE2 PHE 16 HE2 PHE 16 -20.115 36.391 11.570 123 HZ PHE 16 HZ PHE 16 -17.865 37.396 11.857 124 H GLU 17 H GLU 17 -18.534 30.280 15.464 125 HA GLU 17 HA GLU 17 -20.220 28.294 14.709 126 1HB GLU 17 1HB GLU 17 -17.550 27.274 14.442 127 2HB GLU 17 2HB GLU 17 -18.308 26.486 15.830 128 1HG GLU 17 1HG GLU 17 -19.608 26.661 13.105 129 2HG GLU 17 2HG GLU 17 -18.722 25.262 13.725 130 H LYS 18 H LYS 18 -20.864 26.919 16.660 131 HA LYS 18 HA LYS 18 -20.652 28.491 19.126 132 1HB LYS 18 1HB LYS 18 -22.998 28.066 19.419 133 2HB LYS 18 2HB LYS 18 -22.569 29.194 18.137 134 1HG LYS 18 1HG LYS 18 -23.315 26.316 17.502 135 2HG LYS 18 2HG LYS 18 -24.519 27.580 17.744 136 1HD LYS 18 1HD LYS 18 -23.595 28.902 15.893 137 2HD LYS 18 2HD LYS 18 -22.370 27.663 15.605 138 1HE LYS 18 1HE LYS 18 -24.332 25.988 15.397 139 2HE LYS 18 2HE LYS 18 -25.352 27.427 15.200 140 1HZ LYS 18 1HZ LYS 18 -24.598 26.572 13.104 141 2HZ LYS 18 2HZ LYS 18 -23.862 28.031 13.348 142 3HZ LYS 18 3HZ LYS 18 -23.027 26.622 13.588 143 H ARG 19 H ARG 19 -19.261 26.944 20.213 144 HA ARG 19 HA ARG 19 -20.482 24.307 20.856 145 1HB ARG 19 1HB ARG 19 -17.576 25.185 21.040 146 2HB ARG 19 2HB ARG 19 -18.227 23.603 21.463 147 1HG ARG 19 1HG ARG 19 -18.160 24.823 18.666 148 2HG ARG 19 2HG ARG 19 -17.061 23.599 19.302 149 1HD ARG 19 1HD ARG 19 -18.440 22.159 18.269 150 2HD ARG 19 2HD ARG 19 -19.411 22.330 19.740 151 HE ARG 19 HE ARG 19 -19.897 24.205 17.451 152 1HH1 ARG 19 1HH1 ARG 19 -21.000 21.248 19.085 153 2HH1 ARG 19 2HH1 ARG 19 -22.558 21.273 18.308 154 1HH2 ARG 19 1HH2 ARG 19 -21.815 24.178 16.414 155 2HH2 ARG 19 2HH2 ARG 19 -23.057 22.978 16.746 156 H PHE 20 H PHE 20 -21.741 24.753 22.607 157 HA PHE 20 HA PHE 20 -20.914 26.776 24.447 158 1HB PHE 20 1HB PHE 20 -23.105 24.602 24.750 159 2HB PHE 20 2HB PHE 20 -23.364 26.186 25.312 160 HD1 PHE 20 HD1 PHE 20 -23.909 23.825 22.375 161 HD2 PHE 20 HD2 PHE 20 -23.650 28.135 23.185 162 HE1 PHE 20 HE1 PHE 20 -25.021 24.326 20.356 163 HE2 PHE 20 HE2 PHE 20 -24.780 28.534 21.137 164 HZ PHE 20 HZ PHE 20 -25.498 26.657 19.678 165 H VAL 21 H VAL 21 -20.233 23.491 24.065 166 HA VAL 21 HA VAL 21 -19.822 23.126 26.859 167 HB VAL 21 HB VAL 21 -20.452 20.509 25.757 168 1HG1 VAL 21 1HG1 VAL 21 -22.680 20.917 26.767 169 2HG1 VAL 21 2HG1 VAL 21 -21.443 21.646 27.831 170 3HG1 VAL 21 3HG1 VAL 21 -22.395 22.673 26.734 171 1HG2 VAL 21 1HG2 VAL 21 -22.240 22.332 24.338 172 2HG2 VAL 21 2HG2 VAL 21 -20.806 21.474 23.659 173 3HG2 VAL 21 3HG2 VAL 21 -22.149 20.553 24.396 174 HA PRO 22 HA PRO 22 -18.960 20.891 27.780 175 1HB PRO 22 1HB PRO 22 -16.783 20.289 29.287 176 2HB PRO 22 2HB PRO 22 -17.298 19.288 27.898 177 1HG PRO 22 1HG PRO 22 -15.194 21.465 27.909 178 2HG PRO 22 2HG PRO 22 -15.047 19.793 27.294 179 1HD PRO 22 1HD PRO 22 -15.678 21.958 25.717 180 2HD PRO 22 2HD PRO 22 -16.320 20.319 25.354 181 H SER 23 H SER 23 -17.216 23.637 27.097 182 HA SER 23 HA SER 23 -18.026 25.006 29.546 183 1HB SER 23 1HB SER 23 -15.221 25.095 28.166 184 2HB SER 23 2HB SER 23 -15.696 26.327 29.319 185 HG SER 23 HG SER 23 -15.760 23.542 29.871 186 H GLN 24 H GLN 24 -17.854 27.589 29.102 187 HA GLN 24 HA GLN 24 -19.472 27.953 26.757 188 1HB GLN 24 1HB GLN 24 -18.468 30.033 28.658 189 2HB GLN 24 2HB GLN 24 -19.862 30.052 27.607 190 1HG GLN 24 1HG GLN 24 -19.707 28.243 30.201 191 2HG GLN 24 2HG GLN 24 -20.860 29.507 29.955 192 1HE2 GLN 24 1HE2 GLN 24 -20.189 26.249 29.582 193 2HE2 GLN 24 2HE2 GLN 24 -21.439 25.835 28.424 194 H HIS 25 H HIS 25 -18.368 28.386 24.691 195 HA HIS 25 HA HIS 25 -16.644 30.604 24.547 196 1HB HIS 25 1HB HIS 25 -14.907 28.717 23.469 197 2HB HIS 25 2HB HIS 25 -14.716 29.290 25.155 198 HD1 HIS 25 HD1 HIS 25 -17.163 26.759 23.612 199 HD2 HIS 25 HD2 HIS 25 -13.813 26.804 26.133 200 HE1 HIS 25 HE1 HIS 25 -16.855 24.439 24.452 201 H TYR 26 H TYR 26 -17.264 31.380 22.328 202 HA TYR 26 HA TYR 26 -18.237 29.304 20.535 203 1HB TYR 26 1HB TYR 26 -17.859 32.307 20.328 204 2HB TYR 26 2HB TYR 26 -17.939 31.412 18.864 205 HD1 TYR 26 HD1 TYR 26 -20.114 30.379 21.907 206 HD2 TYR 26 HD2 TYR 26 -20.223 32.358 17.993 207 HE1 TYR 26 HE1 TYR 26 -22.482 30.397 21.933 208 HE2 TYR 26 HE2 TYR 26 -22.594 32.335 18.105 209 HH TYR 26 HH TYR 26 -24.479 31.786 19.319 210 H VAL 27 H VAL 27 -17.334 28.982 18.310 211 HA VAL 27 HA VAL 27 -14.331 29.038 18.361 212 HB VAL 27 HB VAL 27 -14.242 26.703 18.062 213 1HG1 VAL 27 1HG1 VAL 27 -16.490 27.016 20.061 214 2HG1 VAL 27 2HG1 VAL 27 -15.390 25.664 19.909 215 3HG1 VAL 27 3HG1 VAL 27 -14.757 27.245 20.396 216 1HG2 VAL 27 1HG2 VAL 27 -17.220 26.639 17.669 217 2HG2 VAL 27 2HG2 VAL 27 -16.011 26.447 16.365 218 3HG2 VAL 27 3HG2 VAL 27 -16.119 25.236 17.637 219 H TYR 28 H TYR 28 -13.570 28.091 15.985 220 HA TYR 28 HA TYR 28 -15.167 29.605 14.147 221 1HB TYR 28 1HB TYR 28 -12.644 29.083 12.912 222 2HB TYR 28 2HB TYR 28 -13.453 30.551 13.423 223 HD1 TYR 28 HD1 TYR 28 -11.470 27.943 15.080 224 HD2 TYR 28 HD2 TYR 28 -12.263 32.088 14.515 225 HE1 TYR 28 HE1 TYR 28 -9.689 28.488 16.753 226 HE2 TYR 28 HE2 TYR 28 -10.478 32.673 16.140 227 HH TYR 28 HH TYR 28 -8.388 30.251 17.635 228 H MET 29 H MET 29 -16.041 28.727 12.343 229 HA MET 29 HA MET 29 -15.833 25.883 12.077 230 1HB MET 29 1HB MET 29 -17.919 26.951 11.739 231 2HB MET 29 2HB MET 29 -17.325 27.923 10.372 232 1HG MET 29 1HG MET 29 -18.639 26.026 9.598 233 2HG MET 29 2HG MET 29 -16.945 25.770 9.175 234 1HE MET 29 1HE MET 29 -16.454 23.532 9.047 235 2HE MET 29 2HE MET 29 -17.394 22.209 9.792 236 3HE MET 29 3HE MET 29 -18.208 23.435 8.748 237 H PHE 30 H PHE 30 -14.262 24.733 10.718 238 HA PHE 30 HA PHE 30 -12.699 26.264 8.827 239 1HB PHE 30 1HB PHE 30 -12.242 23.819 10.524 240 2HB PHE 30 2HB PHE 30 -11.482 23.877 8.989 241 HD1 PHE 30 HD1 PHE 30 -11.692 26.811 11.815 242 HD2 PHE 30 HD2 PHE 30 -9.140 24.380 9.161 243 HE1 PHE 30 HE1 PHE 30 -9.772 27.867 12.549 244 HE2 PHE 30 HE2 PHE 30 -7.262 25.525 9.968 245 HZ PHE 30 HZ PHE 30 -7.475 27.252 11.657 246 H LEU 31 H LEU 31 -12.535 25.545 6.542 247 HA LEU 31 HA LEU 31 -13.980 23.147 5.842 248 1HB LEU 31 1HB LEU 31 -13.899 25.923 4.791 249 2HB LEU 31 2HB LEU 31 -13.644 24.696 3.554 250 HG LEU 31 HG LEU 31 -15.984 25.419 3.824 251 1HD1 LEU 31 1HD1 LEU 31 -15.336 22.494 4.279 252 2HD1 LEU 31 2HD1 LEU 31 -16.868 23.142 3.636 253 3HD1 LEU 31 3HD1 LEU 31 -15.344 23.376 2.737 254 1HD2 LEU 31 1HD2 LEU 31 -15.929 25.477 6.395 255 2HD2 LEU 31 2HD2 LEU 31 -17.372 24.744 5.668 256 3HD2 LEU 31 3HD2 LEU 31 -16.121 23.724 6.368 257 H VAL 32 H VAL 32 -12.582 21.416 5.358 258 HA VAL 32 HA VAL 32 -9.941 22.229 4.333 259 HB VAL 32 HB VAL 32 -9.416 21.156 6.121 260 1HG1 VAL 32 1HG1 VAL 32 -11.550 20.378 6.930 261 2HG1 VAL 32 2HG1 VAL 32 -11.530 19.056 5.726 262 3HG1 VAL 32 3HG1 VAL 32 -10.323 19.113 7.034 263 1HG2 VAL 32 1HG2 VAL 32 -8.203 20.180 4.271 264 2HG2 VAL 32 2HG2 VAL 32 -8.565 18.892 5.449 265 3HG2 VAL 32 3HG2 VAL 32 -9.498 19.007 3.969 266 H LYS 33 H LYS 33 -9.233 21.538 2.277 267 HA LYS 33 HA LYS 33 -11.282 20.160 0.661 268 1HB LYS 33 1HB LYS 33 -10.543 22.628 0.255 269 2HB LYS 33 2HB LYS 33 -9.083 21.901 -0.411 270 1HG LYS 33 1HG LYS 33 -10.364 22.144 -2.298 271 2HG LYS 33 2HG LYS 33 -10.786 20.477 -1.866 272 1HD LYS 33 1HD LYS 33 -12.839 21.350 -0.717 273 2HD LYS 33 2HD LYS 33 -12.359 23.004 -1.138 274 1HE LYS 33 1HE LYS 33 -12.423 22.344 -3.578 275 2HE LYS 33 2HE LYS 33 -13.125 20.788 -3.092 276 1HZ LYS 33 1HZ LYS 33 -14.751 22.460 -3.759 277 2HZ LYS 33 2HZ LYS 33 -15.022 21.971 -2.235 278 3HZ LYS 33 3HZ LYS 33 -14.309 23.428 -2.505 279 H TRP 34 H TRP 34 -10.583 17.851 0.492 280 HA TRP 34 HA TRP 34 -7.685 17.509 0.540 281 1HB TRP 34 1HB TRP 34 -9.899 15.485 0.595 282 2HB TRP 34 2HB TRP 34 -8.202 15.117 0.496 283 HD1 TRP 34 HD1 TRP 34 -10.510 16.966 2.927 284 HE1 TRP 34 HE1 TRP 34 -9.602 16.628 5.339 285 HE3 TRP 34 HE3 TRP 34 -6.271 14.314 1.850 286 HZ2 TRP 34 HZ2 TRP 34 -7.316 15.385 6.596 287 HZ3 TRP 34 HZ3 TRP 34 -4.757 13.599 3.671 288 HH2 TRP 34 HH2 TRP 34 -5.273 14.091 6.006 289 H GLN 35 H GLN 35 -6.637 16.247 -1.192 290 HA GLN 35 HA GLN 35 -7.710 16.947 -3.839 291 1HB GLN 35 1HB GLN 35 -5.162 15.891 -4.398 292 2HB GLN 35 2HB GLN 35 -5.213 17.469 -3.647 293 1HG GLN 35 1HG GLN 35 -3.596 15.955 -2.649 294 2HG GLN 35 2HG GLN 35 -4.753 16.584 -1.494 295 1HE2 GLN 35 1HE2 GLN 35 -3.873 13.710 -3.414 296 2HE2 GLN 35 2HE2 GLN 35 -4.678 12.562 -2.352 297 H ASP 36 H ASP 36 -8.073 14.398 -1.820 298 HA ASP 36 HA ASP 36 -8.720 12.616 -4.053 299 1HB ASP 36 1HB ASP 36 -6.512 11.809 -2.985 300 2HB ASP 36 2HB ASP 36 -7.248 11.815 -1.405 301 H LEU 37 H LEU 37 -8.914 12.777 -0.487 302 HA LEU 37 HA LEU 37 -11.485 11.626 -0.284 303 1HB LEU 37 1HB LEU 37 -10.043 13.521 1.596 304 2HB LEU 37 2HB LEU 37 -11.516 12.651 1.975 305 HG LEU 37 HG LEU 37 -9.720 11.637 3.055 306 1HD1 LEU 37 1HD1 LEU 37 -9.888 9.321 2.412 307 2HD1 LEU 37 2HD1 LEU 37 -11.470 10.102 2.261 308 3HD1 LEU 37 3HD1 LEU 37 -10.498 9.757 0.807 309 1HD2 LEU 37 1HD2 LEU 37 -7.772 10.693 2.117 310 2HD2 LEU 37 2HD2 LEU 37 -8.336 10.947 0.461 311 3HD2 LEU 37 3HD2 LEU 37 -7.893 12.343 1.476 312 H SER 38 H SER 38 -10.715 14.707 -1.510 313 HA SER 38 HA SER 38 -12.029 16.501 -2.176 314 1HB SER 38 1HB SER 38 -14.354 14.426 -1.770 315 2HB SER 38 2HB SER 38 -14.482 15.894 -2.701 316 HG SER 38 HG SER 38 -12.613 13.819 -3.185 317 H GLU 39 H GLU 39 -14.631 17.299 -1.202 318 HA GLU 39 HA GLU 39 -13.734 18.958 0.740 319 1HB GLU 39 1HB GLU 39 -16.602 18.078 -0.049 320 2HB GLU 39 2HB GLU 39 -16.338 19.407 1.062 321 1HG GLU 39 1HG GLU 39 -14.936 20.566 -0.600 322 2HG GLU 39 2HG GLU 39 -15.222 19.275 -1.786 323 H LYS 40 H LYS 40 -13.667 19.015 3.019 324 HA LYS 40 HA LYS 40 -15.239 17.062 4.542 325 1HB LYS 40 1HB LYS 40 -12.221 17.068 4.390 326 2HB LYS 40 2HB LYS 40 -12.937 17.065 5.996 327 1HG LYS 40 1HG LYS 40 -12.698 14.837 5.664 328 2HG LYS 40 2HG LYS 40 -14.388 15.108 5.277 329 1HD LYS 40 1HD LYS 40 -13.178 15.368 2.771 330 2HD LYS 40 2HD LYS 40 -12.065 14.282 3.581 331 1HE LYS 40 1HE LYS 40 -13.703 12.914 2.448 332 2HE LYS 40 2HE LYS 40 -14.057 12.793 4.173 333 1HZ LYS 40 1HZ LYS 40 -15.382 14.678 2.337 334 2HZ LYS 40 2HZ LYS 40 -15.981 13.174 2.682 335 3HZ LYS 40 3HZ LYS 40 -15.840 14.315 3.865 336 H VAL 41 H VAL 41 -15.727 18.005 6.714 337 HA VAL 41 HA VAL 41 -14.888 20.790 6.913 338 HB VAL 41 HB VAL 41 -16.959 21.405 7.532 339 1HG1 VAL 41 1HG1 VAL 41 -18.446 20.786 5.740 340 2HG1 VAL 41 2HG1 VAL 41 -16.793 20.798 5.112 341 3HG1 VAL 41 3HG1 VAL 41 -17.592 19.258 5.475 342 1HG2 VAL 41 1HG2 VAL 41 -17.499 19.792 9.234 343 2HG2 VAL 41 2HG2 VAL 41 -18.839 19.880 8.087 344 3HG2 VAL 41 3HG2 VAL 41 -17.694 18.512 8.015 345 H VAL 42 H VAL 42 -14.442 21.610 9.051 346 HA VAL 42 HA VAL 42 -14.607 19.711 11.252 347 HB VAL 42 HB VAL 42 -12.229 19.750 11.839 348 1HG1 VAL 42 1HG1 VAL 42 -12.359 18.917 8.929 349 2HG1 VAL 42 2HG1 VAL 42 -11.175 18.425 10.140 350 3HG1 VAL 42 3HG1 VAL 42 -12.859 17.926 10.327 351 1HG2 VAL 42 1HG2 VAL 42 -11.480 21.876 11.131 352 2HG2 VAL 42 2HG2 VAL 42 -10.520 20.697 10.242 353 3HG2 VAL 42 3HG2 VAL 42 -11.849 21.532 9.417 354 H TYR 43 H TYR 43 -13.858 20.803 13.350 355 HA TYR 43 HA TYR 43 -14.692 23.603 13.315 356 1HB TYR 43 1HB TYR 43 -14.764 21.587 15.523 357 2HB TYR 43 2HB TYR 43 -15.534 23.144 15.468 358 HD1 TYR 43 HD1 TYR 43 -15.620 19.729 13.412 359 HD2 TYR 43 HD2 TYR 43 -18.067 23.155 14.638 360 HE1 TYR 43 HE1 TYR 43 -17.462 18.783 12.434 361 HE2 TYR 43 HE2 TYR 43 -19.895 22.127 13.618 362 HH TYR 43 HH TYR 43 -20.725 20.334 12.421 363 H ARG 44 H ARG 44 -13.459 25.036 14.807 364 HA ARG 44 HA ARG 44 -11.019 23.782 15.999 365 1HB ARG 44 1HB ARG 44 -11.114 25.786 13.833 366 2HB ARG 44 2HB ARG 44 -10.164 26.280 15.220 367 1HG ARG 44 1HG ARG 44 -8.679 25.345 13.695 368 2HG ARG 44 2HG ARG 44 -8.740 24.373 15.158 369 1HD ARG 44 1HD ARG 44 -10.604 23.483 13.006 370 2HD ARG 44 2HD ARG 44 -8.886 23.467 12.580 371 HE ARG 44 HE ARG 44 -9.688 22.247 15.188 372 1HH1 ARG 44 1HH1 ARG 44 -9.093 21.523 11.793 373 2HH1 ARG 44 2HH1 ARG 44 -8.134 20.093 12.154 374 1HH2 ARG 44 1HH2 ARG 44 -8.248 20.466 15.638 375 2HH2 ARG 44 2HH2 ARG 44 -7.647 19.517 14.278 376 H ARG 45 H ARG 45 -10.646 24.592 18.113 377 HA ARG 45 HA ARG 45 -12.131 27.009 18.953 378 1HB ARG 45 1HB ARG 45 -10.774 24.995 20.782 379 2HB ARG 45 2HB ARG 45 -12.050 26.172 21.157 380 1HG ARG 45 1HG ARG 45 -13.441 24.780 19.394 381 2HG ARG 45 2HG ARG 45 -12.215 23.541 19.655 382 1HD ARG 45 1HD ARG 45 -12.755 23.487 22.067 383 2HD ARG 45 2HD ARG 45 -13.967 24.772 21.825 384 HE ARG 45 HE ARG 45 -14.389 22.568 20.014 385 1HH1 ARG 45 1HH1 ARG 45 -14.977 23.418 23.407 386 2HH1 ARG 45 2HH1 ARG 45 -16.428 22.443 23.501 387 1HH2 ARG 45 1HH2 ARG 45 -16.054 21.211 20.198 388 2HH2 ARG 45 2HH2 ARG 45 -17.029 21.083 21.664 389 H PHE 46 H PHE 46 -10.830 28.460 20.464 390 HA PHE 46 HA PHE 46 -8.429 29.332 19.320 391 1HB PHE 46 1HB PHE 46 -8.301 29.931 22.121 392 2HB PHE 46 2HB PHE 46 -8.654 30.991 20.772 393 HD1 PHE 46 HD1 PHE 46 -9.962 29.356 23.760 394 HD2 PHE 46 HD2 PHE 46 -11.030 31.269 20.049 395 HE1 PHE 46 HE1 PHE 46 -12.241 29.773 24.625 396 HE2 PHE 46 HE2 PHE 46 -13.326 31.690 20.925 397 HZ PHE 46 HZ PHE 46 -13.925 30.943 23.213 398 H THR 47 H THR 47 -8.917 27.369 22.145 399 HA THR 47 HA THR 47 -6.252 26.868 22.878 400 HB THR 47 HB THR 47 -8.047 26.598 24.398 401 HG1 THR 47 HG1 THR 47 -6.844 24.075 23.881 402 1HG2 THR 47 1HG2 THR 47 -9.914 25.972 23.004 403 2HG2 THR 47 2HG2 THR 47 -9.147 24.422 22.594 404 3HG2 THR 47 3HG2 THR 47 -9.691 24.757 24.256 405 H GLU 48 H GLU 48 -8.090 25.465 20.201 406 HA GLU 48 HA GLU 48 -6.312 23.156 19.922 407 1HB GLU 48 1HB GLU 48 -8.428 24.439 18.077 408 2HB GLU 48 2HB GLU 48 -7.325 23.247 17.630 409 1HG GLU 48 1HG GLU 48 -8.434 21.865 19.679 410 2HG GLU 48 2HG GLU 48 -9.812 22.851 19.159 411 H ILE 49 H ILE 49 -6.909 26.380 18.400 412 HA ILE 49 HA ILE 49 -4.916 26.075 16.415 413 HB ILE 49 HB ILE 49 -5.456 28.736 17.859 414 1HG1 ILE 49 1HG1 ILE 49 -7.613 28.181 17.506 415 2HG1 ILE 49 2HG1 ILE 49 -7.155 29.238 16.190 416 1HG2 ILE 49 1HG2 ILE 49 -4.948 29.712 15.683 417 2HG2 ILE 49 2HG2 ILE 49 -3.626 28.644 16.167 418 3HG2 ILE 49 3HG2 ILE 49 -4.823 28.093 14.968 419 1HD1 ILE 49 1HD1 ILE 49 -7.868 26.327 16.093 420 2HD1 ILE 49 2HD1 ILE 49 -8.475 27.672 15.125 421 3HD1 ILE 49 3HD1 ILE 49 -6.871 27.038 14.792 422 H TYR 50 H TYR 50 -4.759 27.182 19.758 423 HA TYR 50 HA TYR 50 -1.919 27.614 19.796 424 1HB TYR 50 1HB TYR 50 -3.731 26.951 22.165 425 2HB TYR 50 2HB TYR 50 -2.257 27.853 22.205 426 HD1 TYR 50 HD1 TYR 50 -5.130 28.895 23.273 427 HD2 TYR 50 HD2 TYR 50 -3.145 29.576 19.440 428 HE1 TYR 50 HE1 TYR 50 -6.361 30.940 22.942 429 HE2 TYR 50 HE2 TYR 50 -4.399 31.582 19.176 430 HH TYR 50 HH TYR 50 -5.824 33.088 20.131 431 H GLU 51 H GLU 51 -3.819 24.871 21.107 432 HA GLU 51 HA GLU 51 -1.534 23.472 22.027 433 1HB GLU 51 1HB GLU 51 -4.273 22.511 21.142 434 2HB GLU 51 2HB GLU 51 -3.026 21.390 21.699 435 1HG GLU 51 1HG GLU 51 -2.884 22.398 23.859 436 2HG GLU 51 2HG GLU 51 -3.904 23.758 23.398 437 H PHE 52 H PHE 52 -3.051 23.514 18.828 438 HA PHE 52 HA PHE 52 -1.427 21.458 17.633 439 1HB PHE 52 1HB PHE 52 -3.376 22.237 16.501 440 2HB PHE 52 2HB PHE 52 -2.867 23.884 16.512 441 HD1 PHE 52 HD1 PHE 52 -2.139 20.545 14.906 442 HD2 PHE 52 HD2 PHE 52 -1.116 24.760 14.660 443 HE1 PHE 52 HE1 PHE 52 -1.194 20.206 12.758 444 HE2 PHE 52 HE2 PHE 52 -0.173 24.355 12.508 445 HZ PHE 52 HZ PHE 52 -0.196 22.102 11.482 446 H HIS 53 H HIS 53 -1.235 25.010 17.307 447 HA HIS 53 HA HIS 53 1.189 25.019 16.059 448 1HB HIS 53 1HB HIS 53 -0.562 26.785 16.270 449 2HB HIS 53 2HB HIS 53 0.078 27.205 17.869 450 HD1 HIS 53 HD1 HIS 53 1.578 26.331 14.513 451 HD2 HIS 53 HD2 HIS 53 1.697 29.544 17.192 452 HE1 HIS 53 HE1 HIS 53 3.081 27.942 13.512 453 H LYS 54 H LYS 54 0.494 24.962 19.396 454 HA LYS 54 HA LYS 54 3.172 25.439 20.388 455 1HB LYS 54 1HB LYS 54 0.712 24.121 21.549 456 2HB LYS 54 2HB LYS 54 2.247 24.068 22.410 457 1HG LYS 54 1HG LYS 54 2.411 26.450 22.567 458 2HG LYS 54 2HG LYS 54 1.010 26.697 21.512 459 1HD LYS 54 1HD LYS 54 -0.449 25.560 23.166 460 2HD LYS 54 2HD LYS 54 0.953 25.279 24.219 461 1HE LYS 54 1HE LYS 54 1.284 27.723 24.457 462 2HE LYS 54 2HE LYS 54 -0.079 28.029 23.364 463 1HZ LYS 54 1HZ LYS 54 -0.719 28.220 25.648 464 2HZ LYS 54 2HZ LYS 54 -1.513 26.952 24.959 465 3HZ LYS 54 3HZ LYS 54 -0.245 26.678 25.972 466 H THR 55 H THR 55 1.385 22.559 19.423 467 HA THR 55 HA THR 55 3.555 20.725 20.178 468 HB THR 55 HB THR 55 1.170 20.321 18.345 469 HG1 THR 55 HG1 THR 55 0.563 20.732 20.470 470 1HG2 THR 55 1HG2 THR 55 2.789 18.664 17.818 471 2HG2 THR 55 2HG2 THR 55 3.080 18.310 19.538 472 3HG2 THR 55 3HG2 THR 55 1.513 17.915 18.775 473 H LEU 56 H LEU 56 2.681 22.396 17.217 474 HA LEU 56 HA LEU 56 4.700 21.144 15.693 475 1HB LEU 56 1HB LEU 56 2.841 22.864 14.916 476 2HB LEU 56 2HB LEU 56 3.924 24.107 15.456 477 HG LEU 56 HG LEU 56 3.876 23.917 13.145 478 1HD1 LEU 56 1HD1 LEU 56 5.887 24.737 14.410 479 2HD1 LEU 56 2HD1 LEU 56 6.613 23.140 14.111 480 3HD1 LEU 56 3HD1 LEU 56 6.170 24.174 12.761 481 1HD2 LEU 56 1HD2 LEU 56 5.618 21.880 12.346 482 2HD2 LEU 56 2HD2 LEU 56 4.565 21.038 13.488 483 3HD2 LEU 56 3HD2 LEU 56 3.880 21.877 12.093 484 H LYS 57 H LYS 57 4.772 24.097 17.682 485 HA LYS 57 HA LYS 57 7.585 24.455 17.278 486 1HB LYS 57 1HB LYS 57 5.751 25.265 19.606 487 2HB LYS 57 2HB LYS 57 7.376 25.880 19.394 488 1HG LYS 57 1HG LYS 57 4.938 27.005 18.492 489 2HG LYS 57 2HG LYS 57 6.574 27.619 18.369 490 1HD LYS 57 1HD LYS 57 6.555 26.030 16.144 491 2HD LYS 57 2HD LYS 57 4.833 26.364 16.274 492 1HE LYS 57 1HE LYS 57 7.130 28.364 16.074 493 2HE LYS 57 2HE LYS 57 5.931 28.008 14.829 494 1HZ LYS 57 1HZ LYS 57 5.511 30.047 16.064 495 2HZ LYS 57 2HZ LYS 57 4.271 28.989 16.185 496 3HZ LYS 57 3HZ LYS 57 5.308 29.191 17.456 497 H GLU 58 H GLU 58 5.946 22.310 19.435 498 HA GLU 58 HA GLU 58 8.237 22.034 21.160 499 1HB GLU 58 1HB GLU 58 5.655 20.346 20.836 500 2HB GLU 58 2HB GLU 58 6.879 19.869 21.934 501 1HG GLU 58 1HG GLU 58 5.973 22.833 22.188 502 2HG GLU 58 2HG GLU 58 4.908 21.618 22.835 503 H MET 59 H MET 59 6.623 19.923 18.683 504 HA MET 59 HA MET 59 8.709 18.010 18.711 505 1HB MET 59 1HB MET 59 6.927 18.773 16.435 506 2HB MET 59 2HB MET 59 7.735 17.246 16.612 507 1HG MET 59 1HG MET 59 6.254 16.624 18.499 508 2HG MET 59 2HG MET 59 5.412 18.159 18.377 509 1HE MET 59 1HE MET 59 5.363 18.384 15.055 510 2HE MET 59 2HE MET 59 3.731 17.794 14.790 511 3HE MET 59 3HE MET 59 4.065 18.947 16.100 512 H PHE 60 H PHE 60 8.058 20.781 16.489 513 HA PHE 60 HA PHE 60 10.683 20.464 15.263 514 1HB PHE 60 1HB PHE 60 8.464 22.339 14.654 515 2HB PHE 60 2HB PHE 60 9.943 22.138 13.840 516 HD1 PHE 60 HD1 PHE 60 6.481 20.381 14.342 517 HD2 PHE 60 HD2 PHE 60 10.321 19.998 12.276 518 HE1 PHE 60 HE1 PHE 60 5.625 18.680 12.909 519 HE2 PHE 60 HE2 PHE 60 9.378 18.299 10.910 520 HZ PHE 60 HZ PHE 60 7.014 17.606 11.188 521 HA PRO 61 HA PRO 61 11.075 24.180 18.253 522 1HB PRO 61 1HB PRO 61 13.615 24.034 19.146 523 2HB PRO 61 2HB PRO 61 12.323 22.984 19.801 524 1HG PRO 61 1HG PRO 61 14.381 22.295 17.705 525 2HG PRO 61 2HG PRO 61 13.897 21.329 19.127 526 1HD PRO 61 1HD PRO 61 12.970 20.984 16.602 527 2HD PRO 61 2HD PRO 61 11.960 20.571 18.050 528 H ILE 62 H ILE 62 12.849 23.061 15.526 529 HA ILE 62 HA ILE 62 14.293 25.427 14.863 530 HB ILE 62 HB ILE 62 13.217 23.249 13.105 531 1HG1 ILE 62 1HG1 ILE 62 14.568 22.098 14.773 532 2HG1 ILE 62 2HG1 ILE 62 15.453 22.129 13.251 533 1HG2 ILE 62 1HG2 ILE 62 14.868 23.700 11.516 534 2HG2 ILE 62 2HG2 ILE 62 13.825 25.089 11.811 535 3HG2 ILE 62 3HG2 ILE 62 15.466 25.051 12.524 536 1HD1 ILE 62 1HD1 ILE 62 15.936 23.969 15.640 537 2HD1 ILE 62 2HD1 ILE 62 16.944 22.611 15.122 538 3HD1 ILE 62 3HD1 ILE 62 16.818 24.048 14.096 539 H GLU 63 H GLU 63 11.101 24.019 13.958 540 HA GLU 63 HA GLU 63 10.541 26.205 12.222 541 1HB GLU 63 1HB GLU 63 9.530 23.952 12.061 542 2HB GLU 63 2HB GLU 63 8.441 24.396 13.386 543 1HG GLU 63 1HG GLU 63 7.415 26.121 12.066 544 2HG GLU 63 2HG GLU 63 8.737 26.150 10.905 545 H ALA 64 H ALA 64 10.962 26.167 15.513 546 HA ALA 64 HA ALA 64 9.509 28.666 15.820 547 1HB ALA 64 1HB ALA 64 9.935 26.545 18.006 548 2HB ALA 64 2HB ALA 64 8.922 28.003 18.143 549 3HB ALA 64 3HB ALA 64 8.433 26.651 17.085 550 H GLY 65 H GLY 65 12.178 28.177 14.973 551 1HA GLY 65 1HA GLY 65 13.402 29.969 16.871 552 2HA GLY 65 2HA GLY 65 14.140 28.325 16.809 553 H ALA 66 H ALA 66 14.162 27.663 14.188 554 HA ALA 66 HA ALA 66 15.956 29.719 13.160 555 1HB ALA 66 1HB ALA 66 15.305 27.087 11.836 556 2HB ALA 66 2HB ALA 66 16.732 28.095 11.575 557 3HB ALA 66 3HB ALA 66 16.558 27.210 13.108 558 H ILE 67 H ILE 67 12.764 28.721 12.930 559 HA ILE 67 HA ILE 67 12.400 30.345 10.416 560 HB ILE 67 HB ILE 67 10.620 28.152 11.473 561 1HG1 ILE 67 1HG1 ILE 67 12.970 28.086 9.497 562 2HG1 ILE 67 2HG1 ILE 67 12.802 27.129 10.975 563 1HG2 ILE 67 1HG2 ILE 67 10.822 29.505 8.752 564 2HG2 ILE 67 2HG2 ILE 67 9.772 28.109 9.107 565 3HG2 ILE 67 3HG2 ILE 67 9.465 29.632 9.896 566 1HD1 ILE 67 1HD1 ILE 67 12.531 25.663 9.178 567 2HD1 ILE 67 2HD1 ILE 67 10.935 25.874 9.915 568 3HD1 ILE 67 3HD1 ILE 67 11.351 26.705 8.382 569 H ASN 68 H ASN 68 12.361 30.800 13.522 570 HA ASN 68 HA ASN 68 9.789 32.261 13.537 571 1HB ASN 68 1HB ASN 68 11.345 31.077 15.627 572 2HB ASN 68 2HB ASN 68 11.135 32.794 15.973 573 1HD2 ASN 68 1HD2 ASN 68 9.006 30.385 14.305 574 2HD2 ASN 68 2HD2 ASN 68 7.619 30.683 15.330 575 HA PRO 69 HA PRO 69 12.153 36.158 13.820 576 1HB PRO 69 1HB PRO 69 14.879 36.386 13.567 577 2HB PRO 69 2HB PRO 69 14.101 35.919 15.108 578 1HG PRO 69 1HG PRO 69 15.371 34.105 13.050 579 2HG PRO 69 2HG PRO 69 15.524 34.046 14.824 580 1HD PRO 69 1HD PRO 69 13.757 32.483 13.344 581 2HD PRO 69 2HD PRO 69 13.452 32.952 15.052 582 H GLU 70 H GLU 70 14.003 34.287 11.524 583 HA GLU 70 HA GLU 70 13.992 36.397 9.588 584 1HB GLU 70 1HB GLU 70 14.859 34.502 7.991 585 2HB GLU 70 2HB GLU 70 15.612 34.272 9.519 586 1HG GLU 70 1HG GLU 70 14.808 32.078 9.335 587 2HG GLU 70 2HG GLU 70 13.310 32.663 9.954 588 H ASN 71 H ASN 71 11.817 33.808 10.283 589 HA ASN 71 HA ASN 71 9.936 34.886 8.229 590 1HB ASN 71 1HB ASN 71 10.839 32.189 8.497 591 2HB ASN 71 2HB ASN 71 9.398 32.174 9.462 592 1HD2 ASN 71 1HD2 ASN 71 9.240 30.509 7.568 593 2HD2 ASN 71 2HD2 ASN 71 8.186 31.096 6.292 594 H ARG 72 H ARG 72 10.288 36.271 10.537 595 HA ARG 72 HA ARG 72 8.232 35.552 12.463 596 1HB ARG 72 1HB ARG 72 10.247 37.026 12.945 597 2HB ARG 72 2HB ARG 72 9.387 38.343 12.139 598 1HG ARG 72 1HG ARG 72 7.489 37.995 13.756 599 2HG ARG 72 2HG ARG 72 8.385 36.648 14.482 600 1HD ARG 72 1HD ARG 72 10.182 38.202 15.147 601 2HD ARG 72 2HD ARG 72 9.265 39.556 14.434 602 HE ARG 72 HE ARG 72 7.540 38.165 16.182 603 1HH1 ARG 72 1HH1 ARG 72 10.440 40.183 16.396 604 2HH1 ARG 72 2HH1 ARG 72 10.109 40.745 18.013 605 1HH2 ARG 72 1HH2 ARG 72 7.101 38.873 18.305 606 2HH2 ARG 72 2HH2 ARG 72 8.158 39.998 19.114 607 H ILE 73 H ILE 73 6.763 35.107 10.492 608 HA ILE 73 HA ILE 73 4.732 37.209 10.386 609 HB ILE 73 HB ILE 73 5.284 35.593 7.876 610 1HG1 ILE 73 1HG1 ILE 73 6.315 37.876 7.020 611 2HG1 ILE 73 2HG1 ILE 73 6.756 38.105 8.704 612 1HG2 ILE 73 1HG2 ILE 73 3.113 36.834 8.201 613 2HG2 ILE 73 2HG2 ILE 73 4.040 38.337 8.346 614 3HG2 ILE 73 3HG2 ILE 73 4.050 37.420 6.826 615 1HD1 ILE 73 1HD1 ILE 73 7.663 35.554 8.310 616 2HD1 ILE 73 2HD1 ILE 73 7.751 36.126 6.655 617 3HD1 ILE 73 3HD1 ILE 73 8.658 36.972 7.923 618 H ILE 74 H ILE 74 5.312 34.847 12.000 619 HA ILE 74 HA ILE 74 3.237 32.871 11.251 620 HB ILE 74 HB ILE 74 5.363 32.786 13.419 621 1HG1 ILE 74 1HG1 ILE 74 5.310 30.996 10.971 622 2HG1 ILE 74 2HG1 ILE 74 6.084 32.569 10.874 623 1HG2 ILE 74 1HG2 ILE 74 3.442 30.632 12.375 624 2HG2 ILE 74 2HG2 ILE 74 4.663 30.399 13.627 625 3HG2 ILE 74 3HG2 ILE 74 3.292 31.468 13.933 626 1HD1 ILE 74 1HD1 ILE 74 6.875 30.440 12.915 627 2HD1 ILE 74 2HD1 ILE 74 7.697 30.790 11.395 628 3HD1 ILE 74 3HD1 ILE 74 7.642 32.022 12.663 629 HA PRO 75 HA PRO 75 0.828 35.300 13.948 630 1HB PRO 75 1HB PRO 75 -1.366 33.804 14.596 631 2HB PRO 75 2HB PRO 75 -0.997 34.382 12.953 632 1HG PRO 75 1HG PRO 75 -0.174 31.692 14.131 633 2HG PRO 75 2HG PRO 75 -1.161 31.998 12.677 634 1HD PRO 75 1HD PRO 75 1.470 31.649 12.393 635 2HD PRO 75 2HD PRO 75 0.657 32.989 11.526 636 H HIS 76 H HIS 76 2.776 34.982 15.568 637 HA HIS 76 HA HIS 76 2.422 33.147 17.821 638 1HB HIS 76 1HB HIS 76 4.527 34.190 18.623 639 2HB HIS 76 2HB HIS 76 4.611 33.480 17.014 640 HD1 HIS 76 HD1 HIS 76 3.427 37.014 17.908 641 HD2 HIS 76 HD2 HIS 76 6.470 35.077 15.784 642 HE1 HIS 76 HE1 HIS 76 4.774 38.813 16.709 643 H LEU 77 H LEU 77 0.145 34.322 18.000 644 HA LEU 77 HA LEU 77 0.358 36.585 19.937 645 1HB LEU 77 1HB LEU 77 -1.769 35.700 18.003 646 2HB LEU 77 2HB LEU 77 -2.150 36.752 19.367 647 HG LEU 77 HG LEU 77 -0.183 38.251 18.484 648 1HD1 LEU 77 1HD1 LEU 77 0.704 36.788 16.720 649 2HD1 LEU 77 2HD1 LEU 77 -0.905 36.666 15.971 650 3HD1 LEU 77 3HD1 LEU 77 -0.027 38.208 15.978 651 1HD2 LEU 77 1HD2 LEU 77 -2.566 38.901 18.530 652 2HD2 LEU 77 2HD2 LEU 77 -1.726 39.514 17.100 653 3HD2 LEU 77 3HD2 LEU 77 -2.804 38.116 16.952 654 HA PRO 78 HA PRO 78 -1.024 33.867 23.128 655 1HB PRO 78 1HB PRO 78 -1.843 35.594 25.042 656 2HB PRO 78 2HB PRO 78 -0.183 35.652 24.404 657 1HG PRO 78 1HG PRO 78 -2.545 37.329 23.485 658 2HG PRO 78 2HG PRO 78 -0.957 37.917 24.068 659 1HD PRO 78 1HD PRO 78 -1.460 37.565 21.415 660 2HD PRO 78 2HD PRO 78 0.140 37.182 22.119 661 H ALA 79 H ALA 79 -3.043 33.969 24.872 662 HA ALA 79 HA ALA 79 -5.360 33.195 23.327 663 1HB ALA 79 1HB ALA 79 -4.743 33.153 26.305 664 2HB ALA 79 2HB ALA 79 -6.158 32.387 25.564 665 3HB ALA 79 3HB ALA 79 -4.537 31.816 25.152 666 HA PRO 80 HA PRO 80 -7.685 36.909 23.840 667 1HB PRO 80 1HB PRO 80 -10.254 36.081 23.565 668 2HB PRO 80 2HB PRO 80 -9.026 35.807 22.303 669 1HG PRO 80 1HG PRO 80 -9.856 33.852 24.473 670 2HG PRO 80 2HG PRO 80 -9.891 33.583 22.704 671 1HD PRO 80 1HD PRO 80 -7.768 32.821 24.176 672 2HD PRO 80 2HD PRO 80 -7.546 33.561 22.567 673 H LYS 81 H LYS 81 -6.727 36.882 26.226 674 HA LYS 81 HA LYS 81 -8.916 37.671 27.961 675 1HB LYS 81 1HB LYS 81 -8.411 36.172 29.771 676 2HB LYS 81 2HB LYS 81 -9.011 35.306 28.342 677 1HG LYS 81 1HG LYS 81 -6.831 34.451 27.802 678 2HG LYS 81 2HG LYS 81 -6.040 35.555 28.941 679 1HD LYS 81 1HD LYS 81 -6.082 33.407 29.942 680 2HD LYS 81 2HD LYS 81 -7.196 34.473 30.828 681 1HE LYS 81 1HE LYS 81 -9.129 33.431 29.663 682 2HE LYS 81 2HE LYS 81 -8.026 32.418 28.714 683 1HZ LYS 81 1HZ LYS 81 -8.336 32.347 31.636 684 2HZ LYS 81 2HZ LYS 81 -8.967 31.261 30.574 685 3HZ LYS 81 3HZ LYS 81 -7.333 31.382 30.752 686 H TRP 82 H TRP 82 -6.735 38.928 26.712 687 HA TRP 82 HA TRP 82 -4.972 39.748 28.980 688 1HB TRP 82 1HB TRP 82 -4.876 40.148 25.973 689 2HB TRP 82 2HB TRP 82 -3.965 41.165 27.089 690 HD1 TRP 82 HD1 TRP 82 -4.369 37.298 27.062 691 HE1 TRP 82 HE1 TRP 82 -2.025 36.239 27.144 692 HE3 TRP 82 HE3 TRP 82 -1.518 41.555 26.950 693 HZ2 TRP 82 HZ2 TRP 82 0.696 37.101 27.153 694 HZ3 TRP 82 HZ3 TRP 82 0.952 41.397 27.000 695 HH2 TRP 82 HH2 TRP 82 2.069 39.180 27.099 696 H PHE 83 H PHE 83 -7.420 40.878 26.671 697 HA PHE 83 HA PHE 83 -8.179 43.081 28.501 698 1HB PHE 83 1HB PHE 83 -7.525 43.329 25.555 699 2HB PHE 83 2HB PHE 83 -8.417 44.549 26.477 700 HD1 PHE 83 HD1 PHE 83 -5.133 43.397 25.494 701 HD2 PHE 83 HD2 PHE 83 -7.284 45.680 28.458 702 HE1 PHE 83 HE1 PHE 83 -3.033 44.538 26.148 703 HE2 PHE 83 HE2 PHE 83 -5.177 46.816 29.106 704 HZ PHE 83 HZ PHE 83 -3.049 46.247 27.952 705 H ASP 84 H ASP 84 -9.480 40.847 28.591 706 HA ASP 84 HA ASP 84 -11.348 39.779 27.108 707 1HB ASP 84 1HB ASP 84 -11.060 39.479 29.660 708 2HB ASP 84 2HB ASP 84 -11.972 40.950 29.913 709 H GLY 85 H GLY 85 -12.114 41.121 25.387 710 1HA GLY 85 1HA GLY 85 -14.629 42.198 25.491 711 2HA GLY 85 2HA GLY 85 -13.517 43.566 25.738 712 H GLN 86 H GLN 86 -13.728 44.502 23.557 713 HA GLN 86 HA GLN 86 -13.764 42.923 21.209 714 1HB GLN 86 1HB GLN 86 -12.988 45.852 21.593 715 2HB GLN 86 2HB GLN 86 -13.343 45.088 20.034 716 1HG GLN 86 1HG GLN 86 -15.635 44.526 20.822 717 2HG GLN 86 2HG GLN 86 -15.325 45.381 22.342 718 1HE2 GLN 86 1HE2 GLN 86 -14.328 47.742 21.909 719 2HE2 GLN 86 2HE2 GLN 86 -15.245 48.661 20.733 720 H ARG 87 H ARG 87 -11.114 43.759 23.192 721 HA ARG 87 HA ARG 87 -9.189 43.262 21.010 722 1HB ARG 87 1HB ARG 87 -9.026 43.923 24.049 723 2HB ARG 87 2HB ARG 87 -7.564 43.490 23.180 724 1HG ARG 87 1HG ARG 87 -7.841 45.464 21.707 725 2HG ARG 87 2HG ARG 87 -9.309 45.921 22.606 726 1HD ARG 87 1HD ARG 87 -8.013 46.020 24.708 727 2HD ARG 87 2HD ARG 87 -6.546 45.494 23.848 728 HE ARG 87 HE ARG 87 -7.565 47.856 22.634 729 1HH1 ARG 87 1HH1 ARG 87 -5.956 46.756 25.612 730 2HH1 ARG 87 2HH1 ARG 87 -5.203 48.288 25.933 731 1HH2 ARG 87 1HH2 ARG 87 -6.558 49.886 23.068 732 2HH2 ARG 87 2HH2 ARG 87 -5.545 50.086 24.470 733 H ALA 88 H ALA 88 -11.006 41.444 23.140 734 HA ALA 88 HA ALA 88 -9.084 39.202 23.215 735 1HB ALA 88 1HB ALA 88 -10.355 39.612 25.214 736 2HB ALA 88 2HB ALA 88 -11.895 39.391 24.328 737 3HB ALA 88 3HB ALA 88 -10.775 38.042 24.521 738 H ALA 89 H ALA 89 -11.935 40.441 21.715 739 HA ALA 89 HA ALA 89 -12.697 38.114 20.211 740 1HB ALA 89 1HB ALA 89 -14.287 39.920 20.710 741 2HB ALA 89 2HB ALA 89 -13.352 41.041 19.700 742 3HB ALA 89 3HB ALA 89 -14.150 39.639 18.963 743 H GLU 90 H GLU 90 -11.225 41.163 19.145 744 HA GLU 90 HA GLU 90 -10.402 40.087 16.596 745 1HB GLU 90 1HB GLU 90 -9.544 42.624 18.068 746 2HB GLU 90 2HB GLU 90 -9.200 42.266 16.368 747 1HG GLU 90 1HG GLU 90 -11.607 42.208 15.851 748 2HG GLU 90 2HG GLU 90 -12.006 42.536 17.545 749 H ASN 91 H ASN 91 -9.006 39.422 19.583 750 HA ASN 91 HA ASN 91 -6.248 39.276 18.486 751 1HB ASN 91 1HB ASN 91 -6.425 39.648 20.986 752 2HB ASN 91 2HB ASN 91 -7.535 38.303 21.172 753 1HD2 ASN 91 1HD2 ASN 91 -6.698 36.235 21.464 754 2HD2 ASN 91 2HD2 ASN 91 -4.981 35.889 21.416 755 H ARG 92 H ARG 92 -8.587 36.850 19.846 756 HA ARG 92 HA ARG 92 -7.338 34.743 18.391 757 1HB ARG 92 1HB ARG 92 -9.183 33.351 19.143 758 2HB ARG 92 2HB ARG 92 -8.642 34.408 20.438 759 1HG ARG 92 1HG ARG 92 -10.867 34.762 20.712 760 2HG ARG 92 2HG ARG 92 -10.611 35.987 19.476 761 1HD ARG 92 1HD ARG 92 -11.095 33.898 17.849 762 2HD ARG 92 2HD ARG 92 -11.937 33.272 19.259 763 HE ARG 92 HE ARG 92 -12.830 35.190 17.389 764 1HH1 ARG 92 1HH1 ARG 92 -12.905 34.706 20.894 765 2HH1 ARG 92 2HH1 ARG 92 -14.356 35.643 21.125 766 1HH2 ARG 92 1HH2 ARG 92 -14.724 36.383 17.662 767 2HH2 ARG 92 2HH2 ARG 92 -15.423 36.592 19.249 768 H GLN 93 H GLN 93 -9.895 36.942 17.494 769 HA GLN 93 HA GLN 93 -10.528 35.349 15.120 770 1HB GLN 93 1HB GLN 93 -12.116 36.803 16.514 771 2HB GLN 93 2HB GLN 93 -11.543 38.162 15.537 772 1HG GLN 93 1HG GLN 93 -12.431 37.111 13.534 773 2HG GLN 93 2HG GLN 93 -12.657 35.567 14.377 774 1HE2 GLN 93 1HE2 GLN 93 -14.204 38.522 13.537 775 2HE2 GLN 93 2HE2 GLN 93 -15.622 38.314 14.544 776 H GLY 94 H GLY 94 -7.903 37.184 15.762 777 1HA GLY 94 1HA GLY 94 -7.489 38.064 12.912 778 2HA GLY 94 2HA GLY 94 -6.703 38.767 14.324 779 H THR 95 H THR 95 -6.100 36.528 15.811 780 HA THR 95 HA THR 95 -3.700 35.513 14.653 781 HB THR 95 HB THR 95 -5.467 34.509 16.993 782 HG1 THR 95 HG1 THR 95 -4.785 36.606 17.320 783 1HG2 THR 95 1HG2 THR 95 -3.839 32.734 16.442 784 2HG2 THR 95 2HG2 THR 95 -2.510 33.907 16.544 785 3HG2 THR 95 3HG2 THR 95 -3.444 33.496 17.984 786 H LEU 96 H LEU 96 -6.851 33.929 15.199 787 HA LEU 96 HA LEU 96 -5.870 31.597 13.797 788 1HB LEU 96 1HB LEU 96 -7.543 31.195 15.278 789 2HB LEU 96 2HB LEU 96 -8.586 32.436 14.597 790 HG LEU 96 HG LEU 96 -9.251 30.094 14.004 791 1HD1 LEU 96 1HD1 LEU 96 -9.453 32.361 12.612 792 2HD1 LEU 96 2HD1 LEU 96 -8.666 31.309 11.403 793 3HD1 LEU 96 3HD1 LEU 96 -10.183 30.802 12.203 794 1HD2 LEU 96 1HD2 LEU 96 -6.637 29.865 12.512 795 2HD2 LEU 96 2HD2 LEU 96 -7.597 28.664 13.382 796 3HD2 LEU 96 3HD2 LEU 96 -8.125 29.272 11.820 797 H THR 97 H THR 97 -7.822 34.343 12.846 798 HA THR 97 HA THR 97 -8.197 33.698 10.095 799 HB THR 97 HB THR 97 -7.999 36.318 11.640 800 HG1 THR 97 HG1 THR 97 -10.102 36.179 11.611 801 1HG2 THR 97 1HG2 THR 97 -8.468 36.197 8.695 802 2HG2 THR 97 2HG2 THR 97 -8.809 37.584 9.776 803 3HG2 THR 97 3HG2 THR 97 -7.148 37.017 9.582 804 H GLU 98 H GLU 98 -5.316 34.951 11.627 805 HA GLU 98 HA GLU 98 -4.077 35.185 8.944 806 1HB GLU 98 1HB GLU 98 -3.665 36.871 10.927 807 2HB GLU 98 2HB GLU 98 -2.768 35.544 11.687 808 1HG GLU 98 1HG GLU 98 -1.409 35.460 9.494 809 2HG GLU 98 2HG GLU 98 -2.217 36.981 9.071 810 H TYR 99 H TYR 99 -4.096 33.082 11.788 811 HA TYR 99 HA TYR 99 -2.003 31.631 10.711 812 1HB TYR 99 1HB TYR 99 -3.321 31.028 13.018 813 2HB TYR 99 2HB TYR 99 -4.146 29.914 11.978 814 HD1 TYR 99 HD1 TYR 99 -0.736 30.029 10.568 815 HD2 TYR 99 HD2 TYR 99 -2.950 28.373 13.926 816 HE1 TYR 99 HE1 TYR 99 0.973 28.341 10.911 817 HE2 TYR 99 HE2 TYR 99 -1.181 26.710 14.190 818 HH TYR 99 HH TYR 99 1.617 26.524 11.940 819 H CYS 100 H CYS 100 -5.475 31.343 9.976 820 HA CYS 100 HA CYS 100 -5.165 28.945 8.454 821 1HB CYS 100 1HB CYS 100 -7.432 29.967 8.947 822 2HB CYS 100 2HB CYS 100 -7.052 31.297 7.827 823 HG CYS 100 HG CYS 100 -8.675 29.746 6.602 824 H SER 101 H SER 101 -4.860 32.326 7.457 825 HA SER 101 HA SER 101 -4.052 31.666 4.774 826 1HB SER 101 1HB SER 101 -3.346 34.115 6.479 827 2HB SER 101 2HB SER 101 -3.283 34.035 4.706 828 HG SER 101 HG SER 101 -5.242 34.966 5.662 829 H THR 102 H THR 102 -2.196 31.972 7.716 830 HA THR 102 HA THR 102 0.383 31.806 6.409 831 HB THR 102 HB THR 102 -0.405 31.953 9.336 832 HG1 THR 102 HG1 THR 102 0.710 33.927 7.653 833 1HG2 THR 102 1HG2 THR 102 1.796 31.079 9.373 834 2HG2 THR 102 2HG2 THR 102 2.339 32.239 8.109 835 3HG2 THR 102 3HG2 THR 102 1.831 32.814 9.693 836 H LEU 103 H LEU 103 -1.610 29.482 8.035 837 HA LEU 103 HA LEU 103 0.415 27.468 8.192 838 1HB LEU 103 1HB LEU 103 -2.426 27.748 8.745 839 2HB LEU 103 2HB LEU 103 -2.380 26.443 7.773 840 HG LEU 103 HG LEU 103 -0.762 26.412 10.335 841 1HD1 LEU 103 1HD1 LEU 103 -2.956 27.112 11.057 842 2HD1 LEU 103 2HD1 LEU 103 -3.660 25.824 10.069 843 3HD1 LEU 103 3HD1 LEU 103 -2.653 25.422 11.488 844 1HD2 LEU 103 1HD2 LEU 103 -1.049 24.104 10.414 845 2HD2 LEU 103 2HD2 LEU 103 -2.473 24.125 9.414 846 3HD2 LEU 103 3HD2 LEU 103 -0.871 24.302 8.662 847 H MET 104 H MET 104 -1.723 28.662 5.660 848 HA MET 104 HA MET 104 -0.552 26.729 3.749 849 1HB MET 104 1HB MET 104 -3.133 27.504 3.938 850 2HB MET 104 2HB MET 104 -2.512 28.906 3.055 851 1HG MET 104 1HG MET 104 -3.231 27.595 1.314 852 2HG MET 104 2HG MET 104 -1.565 27.052 1.377 853 1HE MET 104 1HE MET 104 -2.070 25.025 4.174 854 2HE MET 104 2HE MET 104 -2.248 23.510 3.274 855 3HE MET 104 3HE MET 104 -0.953 24.638 2.828 856 H SER 105 H SER 105 0.398 29.458 4.899 857 HA SER 105 HA SER 105 1.648 30.372 2.361 858 1HB SER 105 1HB SER 105 0.683 32.166 4.228 859 2HB SER 105 2HB SER 105 2.160 31.691 5.077 860 HG SER 105 HG SER 105 2.425 33.505 3.728 861 H LEU 106 H LEU 106 2.551 29.172 5.647 862 HA LEU 106 HA LEU 106 4.951 29.349 5.692 863 1HB LEU 106 1HB LEU 106 3.375 26.892 6.364 864 2HB LEU 106 2HB LEU 106 5.047 27.124 6.792 865 HG LEU 106 HG LEU 106 2.678 28.314 8.054 866 1HD1 LEU 106 1HD1 LEU 106 4.023 26.522 9.001 867 2HD1 LEU 106 2HD1 LEU 106 5.424 27.623 9.067 868 3HD1 LEU 106 3HD1 LEU 106 3.966 27.974 10.028 869 1HD2 LEU 106 1HD2 LEU 106 3.746 30.461 7.347 870 2HD2 LEU 106 2HD2 LEU 106 3.935 30.181 9.076 871 3HD2 LEU 106 3HD2 LEU 106 5.303 29.893 7.999 872 HA PRO 107 HA PRO 107 7.006 27.331 2.381 873 1HB PRO 107 1HB PRO 107 9.582 27.911 2.826 874 2HB PRO 107 2HB PRO 107 8.398 29.214 2.469 875 1HG PRO 107 1HG PRO 107 9.451 28.319 5.181 876 2HG PRO 107 2HG PRO 107 9.277 29.990 4.582 877 1HD PRO 107 1HD PRO 107 7.429 28.594 6.164 878 2HD PRO 107 2HD PRO 107 7.050 30.029 5.161 879 H THR 108 H THR 108 7.080 26.415 5.534 880 HA THR 108 HA THR 108 8.867 24.042 5.282 881 HB THR 108 HB THR 108 7.595 23.772 7.603 882 HG1 THR 108 HG1 THR 108 6.631 25.517 8.405 883 1HG2 THR 108 1HG2 THR 108 9.934 24.367 7.559 884 2HG2 THR 108 2HG2 THR 108 9.496 26.072 7.214 885 3HG2 THR 108 3HG2 THR 108 9.071 25.327 8.769 886 H LYS 109 H LYS 109 7.107 24.232 3.251 887 HA LYS 109 HA LYS 109 4.732 22.834 4.108 888 1HB LYS 109 1HB LYS 109 5.249 24.331 1.836 889 2HB LYS 109 2HB LYS 109 5.794 22.819 1.143 890 1HG LYS 109 1HG LYS 109 3.611 21.880 1.205 891 2HG LYS 109 2HG LYS 109 3.028 23.084 2.376 892 1HD LYS 109 1HD LYS 109 3.263 24.888 0.754 893 2HD LYS 109 2HD LYS 109 3.970 23.782 -0.440 894 1HE LYS 109 1HE LYS 109 1.859 22.552 -0.615 895 2HE LYS 109 2HE LYS 109 1.146 23.522 0.692 896 1HZ LYS 109 1HZ LYS 109 0.450 24.307 -1.439 897 2HZ LYS 109 2HZ LYS 109 1.369 25.455 -0.706 898 3HZ LYS 109 3HZ LYS 109 2.004 24.548 -1.924 899 H ILE 110 H ILE 110 7.767 21.703 3.741 900 HA ILE 110 HA ILE 110 6.881 18.913 3.280 901 HB ILE 110 HB ILE 110 9.661 20.051 3.823 902 1HG1 ILE 110 1HG1 ILE 110 8.371 19.182 1.191 903 2HG1 ILE 110 2HG1 ILE 110 8.693 20.854 1.672 904 1HG2 ILE 110 1HG2 ILE 110 8.815 17.282 2.862 905 2HG2 ILE 110 2HG2 ILE 110 10.487 17.846 3.071 906 3HG2 ILE 110 3HG2 ILE 110 9.455 17.663 4.475 907 1HD1 ILE 110 1HD1 ILE 110 10.777 18.735 1.060 908 2HD1 ILE 110 2HD1 ILE 110 10.423 20.226 0.181 909 3HD1 ILE 110 3HD1 ILE 110 11.141 20.315 1.801 910 H SER 111 H SER 111 8.049 21.021 5.858 911 HA SER 111 HA SER 111 8.126 18.869 7.803 912 1HB SER 111 1HB SER 111 8.320 21.846 8.311 913 2HB SER 111 2HB SER 111 8.813 20.540 9.385 914 HG SER 111 HG SER 111 10.573 21.403 8.204 915 H ARG 112 H ARG 112 6.150 21.677 7.128 916 HA ARG 112 HA ARG 112 4.224 21.171 9.228 917 1HB ARG 112 1HB ARG 112 4.972 23.411 8.357 918 2HB ARG 112 2HB ARG 112 4.089 23.071 6.868 919 1HG ARG 112 1HG ARG 112 2.316 22.758 9.177 920 2HG ARG 112 2HG ARG 112 3.156 24.309 9.230 921 1HD ARG 112 1HD ARG 112 1.146 24.622 7.933 922 2HD ARG 112 2HD ARG 112 2.537 24.741 6.863 923 HE ARG 112 HE ARG 112 1.335 22.068 7.137 924 1HH1 ARG 112 1HH1 ARG 112 1.283 25.017 5.168 925 2HH1 ARG 112 2HH1 ARG 112 1.010 24.168 3.671 926 1HH2 ARG 112 1HH2 ARG 112 0.593 21.026 5.278 927 2HH2 ARG 112 2HH2 ARG 112 0.448 21.878 3.767 928 H CYS 113 H CYS 113 4.642 19.765 6.126 929 HA CYS 113 HA CYS 113 1.954 19.544 5.292 930 1HB CYS 113 1HB CYS 113 4.434 18.326 4.427 931 2HB CYS 113 2HB CYS 113 3.203 17.070 4.596 932 HG CYS 113 HG CYS 113 2.953 19.860 2.928 933 HA PRO 114 HA PRO 114 1.334 15.490 7.712 934 1HB PRO 114 1HB PRO 114 3.200 14.715 9.619 935 2HB PRO 114 2HB PRO 114 3.276 14.183 7.914 936 1HG PRO 114 1HG PRO 114 4.733 16.525 9.180 937 2HG PRO 114 2HG PRO 114 5.426 15.227 8.161 938 1HD PRO 114 1HD PRO 114 4.797 17.583 7.070 939 2HD PRO 114 2HD PRO 114 4.361 16.081 6.214 940 H HIS 115 H HIS 115 2.815 18.227 9.352 941 HA HIS 115 HA HIS 115 1.249 17.712 11.641 942 1HB HIS 115 1HB HIS 115 3.201 19.352 11.513 943 2HB HIS 115 2HB HIS 115 1.996 20.546 11.008 944 HD1 HIS 115 HD1 HIS 115 1.488 17.747 13.602 945 HD2 HIS 115 HD2 HIS 115 1.782 21.936 13.509 946 HE1 HIS 115 HE1 HIS 115 0.943 18.590 15.907 947 H LEU 116 H LEU 116 0.594 19.921 8.796 948 HA LEU 116 HA LEU 116 -1.800 20.573 9.739 949 1HB LEU 116 1HB LEU 116 -0.575 21.526 7.634 950 2HB LEU 116 2HB LEU 116 -1.314 20.219 6.708 951 HG LEU 116 HG LEU 116 -2.456 22.717 7.854 952 1HD1 LEU 116 1HD1 LEU 116 -3.578 20.728 5.729 953 2HD1 LEU 116 2HD1 LEU 116 -4.109 22.384 5.874 954 3HD1 LEU 116 3HD1 LEU 116 -2.491 22.030 5.222 955 1HD2 LEU 116 1HD2 LEU 116 -4.339 20.492 7.793 956 2HD2 LEU 116 2HD2 LEU 116 -3.594 21.334 9.193 957 3HD2 LEU 116 3HD2 LEU 116 -4.548 22.243 8.065 958 H LEU 117 H LEU 117 -0.995 17.875 7.531 959 HA LEU 117 HA LEU 117 -3.639 16.775 7.220 960 1HB LEU 117 1HB LEU 117 -0.905 15.428 7.341 961 2HB LEU 117 2HB LEU 117 -2.423 14.584 7.141 962 HG LEU 117 HG LEU 117 -2.685 16.238 4.938 963 1HD1 LEU 117 1HD1 LEU 117 0.283 16.038 5.345 964 2HD1 LEU 117 2HD1 LEU 117 -0.555 16.378 3.818 965 3HD1 LEU 117 3HD1 LEU 117 -0.726 17.513 5.154 966 1HD2 LEU 117 1HD2 LEU 117 -2.740 13.762 5.175 967 2HD2 LEU 117 2HD2 LEU 117 -2.086 14.485 3.733 968 3HD2 LEU 117 3HD2 LEU 117 -0.960 13.811 4.956 969 H ASP 118 H ASP 118 -1.383 16.471 9.902 970 HA ASP 118 HA ASP 118 -3.318 14.808 11.368 971 1HB ASP 118 1HB ASP 118 -0.641 15.125 11.691 972 2HB ASP 118 2HB ASP 118 -1.131 16.477 12.718 973 H PHE 119 H PHE 119 -3.330 18.104 10.767 974 HA PHE 119 HA PHE 119 -4.490 19.025 13.323 975 1HB PHE 119 1HB PHE 119 -3.066 20.338 11.352 976 2HB PHE 119 2HB PHE 119 -4.643 20.394 10.599 977 HD1 PHE 119 HD1 PHE 119 -4.555 22.948 10.136 978 HD2 PHE 119 HD2 PHE 119 -4.332 21.127 14.038 979 HE1 PHE 119 HE1 PHE 119 -5.199 25.025 11.188 980 HE2 PHE 119 HE2 PHE 119 -4.972 23.310 15.093 981 HZ PHE 119 HZ PHE 119 -5.415 25.261 13.621 982 H PHE 120 H PHE 120 -5.232 18.196 10.110 983 HA PHE 120 HA PHE 120 -8.149 18.530 10.384 984 1HB PHE 120 1HB PHE 120 -6.082 17.816 8.159 985 2HB PHE 120 2HB PHE 120 -7.814 17.925 7.868 986 HD1 PHE 120 HD1 PHE 120 -6.531 19.389 6.099 987 HD2 PHE 120 HD2 PHE 120 -7.164 20.535 10.194 988 HE1 PHE 120 HE1 PHE 120 -6.543 21.780 5.434 989 HE2 PHE 120 HE2 PHE 120 -7.172 22.904 9.549 990 HZ PHE 120 HZ PHE 120 -6.877 23.536 7.189 991 H LYS 121 H LYS 121 -6.009 15.801 9.597 992 HA LYS 121 HA LYS 121 -8.258 14.069 9.317 993 1HB LYS 121 1HB LYS 121 -6.920 12.414 8.708 994 2HB LYS 121 2HB LYS 121 -5.938 13.828 8.319 995 1HG LYS 121 1HG LYS 121 -4.985 13.397 10.763 996 2HG LYS 121 2HG LYS 121 -5.629 11.770 10.500 997 1HD LYS 121 1HD LYS 121 -3.494 13.284 8.960 998 2HD LYS 121 2HD LYS 121 -3.296 11.774 9.839 999 1HE LYS 121 1HE LYS 121 -4.494 10.535 8.118 1000 2HE LYS 121 2HE LYS 121 -5.036 12.021 7.327 1001 1HZ LYS 121 1HZ LYS 121 -3.271 11.288 6.094 1002 2HZ LYS 121 2HZ LYS 121 -2.675 12.542 6.953 1003 3HZ LYS 121 3HZ LYS 121 -2.300 11.007 7.392 1004 H VAL 122 H VAL 122 -6.490 15.154 12.067 1005 HA VAL 122 HA VAL 122 -7.663 13.074 13.784 1006 HB VAL 122 HB VAL 122 -5.887 15.373 14.598 1007 1HG1 VAL 122 1HG1 VAL 122 -6.628 12.740 15.958 1008 2HG1 VAL 122 2HG1 VAL 122 -5.441 13.919 16.551 1009 3HG1 VAL 122 3HG1 VAL 122 -7.153 14.356 16.474 1010 1HG2 VAL 122 1HG2 VAL 122 -4.157 13.485 14.519 1011 2HG2 VAL 122 2HG2 VAL 122 -5.369 12.498 13.667 1012 3HG2 VAL 122 3HG2 VAL 122 -4.753 13.980 12.933 1013 H ARG 123 H ARG 123 -7.989 16.642 13.338 1014 HA ARG 123 HA ARG 123 -9.642 18.039 14.304 1015 1HB ARG 123 1HB ARG 123 -11.881 17.325 13.400 1016 2HB ARG 123 2HB ARG 123 -10.547 17.667 12.340 1017 1HG ARG 123 1HG ARG 123 -11.607 15.858 11.366 1018 2HG ARG 123 2HG ARG 123 -10.107 15.234 11.996 1019 1HD ARG 123 1HD ARG 123 -11.118 13.555 12.969 1020 2HD ARG 123 2HD ARG 123 -12.040 14.636 13.993 1021 HE ARG 123 HE ARG 123 -13.887 14.406 12.677 1022 1HH1 ARG 123 1HH1 ARG 123 -11.117 13.113 10.872 1023 2HH1 ARG 123 2HH1 ARG 123 -12.099 12.583 9.532 1024 1HH2 ARG 123 1HH2 ARG 123 -15.085 13.914 10.971 1025 2HH2 ARG 123 2HH2 ARG 123 -14.462 13.048 9.570 1026 HA PRO 124 HA PRO 124 -11.054 15.820 17.973 1027 1HB PRO 124 1HB PRO 124 -9.530 16.874 20.005 1028 2HB PRO 124 2HB PRO 124 -8.865 15.639 18.901 1029 1HG PRO 124 1HG PRO 124 -8.610 18.644 18.660 1030 2HG PRO 124 2HG PRO 124 -7.283 17.447 18.633 1031 1HD PRO 124 1HD PRO 124 -8.432 18.429 16.338 1032 2HD PRO 124 2HD PRO 124 -7.841 16.753 16.443 1033 H ASP 125 H ASP 125 -12.245 17.733 16.544 1034 HA ASP 125 HA ASP 125 -13.965 18.738 18.526 1035 1HB ASP 125 1HB ASP 125 -12.158 20.578 18.292 1036 2HB ASP 125 2HB ASP 125 -12.633 20.738 16.605 1037 H ASP 126 H ASP 126 -13.546 17.258 15.715 1038 HA ASP 126 HA ASP 126 -16.176 18.016 14.568 1039 1HB ASP 126 1HB ASP 126 -14.312 17.920 12.932 1040 2HB ASP 126 2HB ASP 126 -13.812 16.358 13.582 1041 H LEU 127 H LEU 127 -14.127 15.181 15.585 1042 HA LEU 127 HA LEU 127 -16.523 13.860 16.649 1043 1HB LEU 127 1HB LEU 127 -14.703 12.978 14.332 1044 2HB LEU 127 2HB LEU 127 -15.415 11.704 15.225 1045 HG LEU 127 HG LEU 127 -17.329 13.718 13.803 1046 1HD1 LEU 127 1HD1 LEU 127 -16.001 12.271 12.282 1047 2HD1 LEU 127 2HD1 LEU 127 -16.549 10.848 13.199 1048 3HD1 LEU 127 3HD1 LEU 127 -17.729 11.871 12.346 1049 1HD2 LEU 127 1HD2 LEU 127 -17.789 11.114 15.323 1050 2HD2 LEU 127 2HD2 LEU 127 -18.304 12.731 15.855 1051 3HD2 LEU 127 3HD2 LEU 127 -18.979 12.030 14.383 1052 H LYS 128 H LYS 128 -13.966 15.095 17.663 1053 HA LYS 128 HA LYS 128 -13.412 12.995 19.550 1054 1HB LYS 128 1HB LYS 128 -11.466 13.870 17.352 1055 2HB LYS 128 2HB LYS 128 -10.740 13.733 18.937 1056 1HG LYS 128 1HG LYS 128 -10.583 11.528 18.743 1057 2HG LYS 128 2HG LYS 128 -12.315 11.340 18.452 1058 1HD LYS 128 1HD LYS 128 -11.981 11.878 16.052 1059 2HD LYS 128 2HD LYS 128 -10.240 12.089 16.342 1060 1HE LYS 128 1HE LYS 128 -10.070 9.724 17.076 1061 2HE LYS 128 2HE LYS 128 -11.809 9.506 16.791 1062 1HZ LYS 128 1HZ LYS 128 -9.830 10.218 14.735 1063 2HZ LYS 128 2HZ LYS 128 -10.468 8.719 14.971 1064 3HZ LYS 128 3HZ LYS 128 -11.438 9.956 14.485 1065 H LEU 129 H LEU 129 -14.821 15.213 19.531 1066 HA LEU 129 HA LEU 129 -13.846 17.598 20.314 1067 1HB LEU 129 1HB LEU 129 -16.301 16.058 21.274 1068 2HB LEU 129 2HB LEU 129 -16.208 17.764 21.504 1069 HG LEU 129 HG LEU 129 -16.097 16.904 18.521 1070 1HD1 LEU 129 1HD1 LEU 129 -18.474 16.731 20.396 1071 2HD1 LEU 129 2HD1 LEU 129 -18.499 16.613 18.613 1072 3HD1 LEU 129 3HD1 LEU 129 -17.676 15.358 19.579 1073 1HD2 LEU 129 1HD2 LEU 129 -16.111 19.270 19.283 1074 2HD2 LEU 129 2HD2 LEU 129 -17.519 18.815 18.310 1075 3HD2 LEU 129 3HD2 LEU 129 -17.678 19.006 20.066 1076 HA PRO 130 HA PRO 130 -12.524 17.337 24.492 1077 1HB PRO 130 1HB PRO 130 -13.753 19.865 25.336 1078 2HB PRO 130 2HB PRO 130 -12.042 19.533 24.980 1079 1HG PRO 130 1HG PRO 130 -13.564 21.142 23.370 1080 2HG PRO 130 2HG PRO 130 -12.320 20.054 22.693 1081 1HD PRO 130 1HD PRO 130 -15.281 19.434 23.024 1082 2HD PRO 130 2HD PRO 130 -14.341 19.389 21.521 Start of MODEL 16 1 1H GLY 1 1H GLY 1 1.902 -1.850 -1.277 2 2H GLY 1 2H GLY 1 2.744 -0.654 -2.017 3 3H GLY 1 3H GLY 1 3.358 -1.364 -0.653 4 1HA GLY 1 1HA GLY 1 1.550 -0.498 0.657 5 2HA GLY 1 2HA GLY 1 2.455 0.801 -0.153 6 H SER 2 H SER 2 0.113 1.722 0.481 7 HA SER 2 HA SER 2 -1.323 2.068 -1.994 8 1HB SER 2 1HB SER 2 -3.531 1.338 -1.002 9 2HB SER 2 2HB SER 2 -2.415 -0.002 -1.311 10 HG SER 2 HG SER 2 -3.395 -0.080 0.781 11 H MET 3 H MET 3 -3.192 3.684 -1.554 12 HA MET 3 HA MET 3 -2.105 5.804 0.059 13 1HB MET 3 1HB MET 3 -3.066 6.236 -2.091 14 2HB MET 3 2HB MET 3 -4.639 5.608 -1.600 15 1HG MET 3 1HG MET 3 -3.262 7.943 -0.213 16 2HG MET 3 2HG MET 3 -4.280 8.179 -1.626 17 1HE MET 3 1HE MET 3 -7.865 7.372 -0.381 18 2HE MET 3 2HE MET 3 -6.842 7.845 -1.753 19 3HE MET 3 3HE MET 3 -6.792 6.176 -1.132 20 H GLY 4 H GLY 4 -2.722 6.232 2.256 21 1HA GLY 4 1HA GLY 4 -5.385 5.697 3.239 22 2HA GLY 4 2HA GLY 4 -4.138 4.620 3.941 23 H ASP 5 H ASP 5 -3.780 7.950 2.815 24 HA ASP 5 HA ASP 5 -4.118 9.144 5.331 25 1HB ASP 5 1HB ASP 5 -1.618 7.901 5.332 26 2HB ASP 5 2HB ASP 5 -1.144 9.329 4.449 27 H THR 6 H THR 6 -2.283 9.298 2.306 28 HA THR 6 HA THR 6 -1.871 10.810 0.733 29 HB THR 6 HB THR 6 -4.121 10.010 0.212 30 HG1 THR 6 HG1 THR 6 -4.393 11.563 -1.378 31 1HG2 THR 6 1HG2 THR 6 -5.862 11.805 0.375 32 2HG2 THR 6 2HG2 THR 6 -5.406 10.978 1.905 33 3HG2 THR 6 3HG2 THR 6 -4.842 12.623 1.571 34 H PHE 7 H PHE 7 -3.172 13.259 0.227 35 HA PHE 7 HA PHE 7 -1.987 15.040 2.295 36 1HB PHE 7 1HB PHE 7 -1.222 15.124 -0.592 37 2HB PHE 7 2HB PHE 7 -0.454 15.925 0.744 38 HD1 PHE 7 HD1 PHE 7 -0.696 12.587 -1.088 39 HD2 PHE 7 HD2 PHE 7 0.699 14.280 2.692 40 HE1 PHE 7 HE1 PHE 7 0.659 10.649 -0.672 41 HE2 PHE 7 HE2 PHE 7 2.025 12.312 3.040 42 HZ PHE 7 HZ PHE 7 2.046 10.469 1.378 43 H ILE 8 H ILE 8 -2.151 17.416 1.459 44 HA ILE 8 HA ILE 8 -5.011 17.666 0.843 45 HB ILE 8 HB ILE 8 -3.277 19.185 2.817 46 1HG1 ILE 8 1HG1 ILE 8 -5.505 17.089 2.826 47 2HG1 ILE 8 2HG1 ILE 8 -3.926 17.026 3.617 48 1HG2 ILE 8 1HG2 ILE 8 -4.757 20.822 1.841 49 2HG2 ILE 8 2HG2 ILE 8 -6.166 19.749 2.119 50 3HG2 ILE 8 3HG2 ILE 8 -5.239 20.444 3.471 51 1HD1 ILE 8 1HD1 ILE 8 -5.651 17.321 5.245 52 2HD1 ILE 8 2HD1 ILE 8 -4.761 18.865 5.111 53 3HD1 ILE 8 3HD1 ILE 8 -6.360 18.653 4.312 54 H ARG 9 H ARG 9 -5.899 19.587 0.056 55 HA ARG 9 HA ARG 9 -4.254 20.624 -2.182 56 1HB ARG 9 1HB ARG 9 -6.801 19.505 -2.242 57 2HB ARG 9 2HB ARG 9 -7.283 21.144 -1.901 58 1HG ARG 9 1HG ARG 9 -5.511 20.245 -4.219 59 2HG ARG 9 2HG ARG 9 -7.242 20.595 -4.299 60 1HD ARG 9 1HD ARG 9 -6.756 22.978 -3.599 61 2HD ARG 9 2HD ARG 9 -5.035 22.589 -3.609 62 HE ARG 9 HE ARG 9 -4.937 22.703 -5.854 63 1HH1 ARG 9 1HH1 ARG 9 -8.352 22.485 -4.955 64 2HH1 ARG 9 2HH1 ARG 9 -8.943 22.843 -6.556 65 1HH2 ARG 9 1HH2 ARG 9 -5.702 23.172 -7.961 66 2HH2 ARG 9 2HH2 ARG 9 -7.410 23.232 -8.287 67 H HIS 10 H HIS 10 -6.716 21.772 0.164 68 HA HIS 10 HA HIS 10 -5.059 23.754 1.247 69 1HB HIS 10 1HB HIS 10 -5.368 25.606 -0.047 70 2HB HIS 10 2HB HIS 10 -5.846 24.555 -1.343 71 HD1 HIS 10 HD1 HIS 10 -6.833 27.629 -0.389 72 HD2 HIS 10 HD2 HIS 10 -9.028 24.078 -0.653 73 HE1 HIS 10 HE1 HIS 10 -9.293 28.247 -0.638 74 H ILE 11 H ILE 11 -6.395 25.696 2.206 75 HA ILE 11 HA ILE 11 -8.633 24.499 3.659 76 HB ILE 11 HB ILE 11 -7.113 26.816 4.796 77 1HG1 ILE 11 1HG1 ILE 11 -6.240 23.933 5.163 78 2HG1 ILE 11 2HG1 ILE 11 -5.387 25.125 4.210 79 1HG2 ILE 11 1HG2 ILE 11 -7.932 25.764 6.924 80 2HG2 ILE 11 2HG2 ILE 11 -9.253 26.093 5.825 81 3HG2 ILE 11 3HG2 ILE 11 -8.648 24.444 5.978 82 1HD1 ILE 11 1HD1 ILE 11 -5.794 25.460 7.194 83 2HD1 ILE 11 2HD1 ILE 11 -4.336 24.901 6.378 84 3HD1 ILE 11 3HD1 ILE 11 -4.941 26.544 6.084 85 H ALA 12 H ALA 12 -10.521 25.823 4.049 86 HA ALA 12 HA ALA 12 -10.675 28.500 2.864 87 1HB ALA 12 1HB ALA 12 -11.664 26.978 1.169 88 2HB ALA 12 2HB ALA 12 -12.594 26.143 2.428 89 3HB ALA 12 3HB ALA 12 -12.961 27.832 2.030 90 H LEU 13 H LEU 13 -12.162 29.725 4.370 91 HA LEU 13 HA LEU 13 -12.875 28.122 6.698 92 1HB LEU 13 1HB LEU 13 -10.948 29.661 6.847 93 2HB LEU 13 2HB LEU 13 -12.029 31.026 6.720 94 HG LEU 13 HG LEU 13 -11.589 28.938 9.030 95 1HD1 LEU 13 1HD1 LEU 13 -10.935 31.073 10.158 96 2HD1 LEU 13 2HD1 LEU 13 -9.790 30.371 8.989 97 3HD1 LEU 13 3HD1 LEU 13 -10.792 31.790 8.574 98 1HD2 LEU 13 1HD2 LEU 13 -13.927 29.805 9.235 99 2HD2 LEU 13 2HD2 LEU 13 -12.801 30.119 10.548 100 3HD2 LEU 13 3HD2 LEU 13 -13.187 31.435 9.435 101 H LEU 14 H LEU 14 -14.904 28.384 7.575 102 HA LEU 14 HA LEU 14 -16.790 29.715 5.679 103 1HB LEU 14 1HB LEU 14 -16.910 27.212 7.229 104 2HB LEU 14 2HB LEU 14 -17.959 28.279 8.052 105 HG LEU 14 HG LEU 14 -19.089 28.814 5.813 106 1HD1 LEU 14 1HD1 LEU 14 -16.868 27.178 4.769 107 2HD1 LEU 14 2HD1 LEU 14 -18.438 26.566 4.227 108 3HD1 LEU 14 3HD1 LEU 14 -17.973 28.234 3.907 109 1HD2 LEU 14 1HD2 LEU 14 -20.079 27.264 7.373 110 2HD2 LEU 14 2HD2 LEU 14 -20.318 26.668 5.723 111 3HD2 LEU 14 3HD2 LEU 14 -19.086 25.929 6.771 112 H GLY 15 H GLY 15 -16.024 29.530 9.116 113 1HA GLY 15 1HA GLY 15 -15.742 32.216 9.567 114 2HA GLY 15 2HA GLY 15 -17.495 32.157 9.433 115 H PHE 16 H PHE 16 -18.661 31.835 11.177 116 HA PHE 16 HA PHE 16 -17.270 31.606 13.724 117 1HB PHE 16 1HB PHE 16 -20.202 31.969 13.172 118 2HB PHE 16 2HB PHE 16 -19.386 32.294 14.661 119 HD1 PHE 16 HD1 PHE 16 -20.789 34.119 11.930 120 HD2 PHE 16 HD2 PHE 16 -16.979 34.026 14.085 121 HE1 PHE 16 HE1 PHE 16 -20.283 36.347 11.221 122 HE2 PHE 16 HE2 PHE 16 -16.550 36.255 13.332 123 HZ PHE 16 HZ PHE 16 -18.173 37.462 11.898 124 H GLU 17 H GLU 17 -18.796 30.401 15.440 125 HA GLU 17 HA GLU 17 -20.329 28.197 14.867 126 1HB GLU 17 1HB GLU 17 -18.386 27.070 13.983 127 2HB GLU 17 2HB GLU 17 -17.456 27.459 15.414 128 1HG GLU 17 1HG GLU 17 -18.160 25.120 15.340 129 2HG GLU 17 2HG GLU 17 -18.855 25.926 16.724 130 H LYS 18 H LYS 18 -20.639 26.895 17.057 131 HA LYS 18 HA LYS 18 -20.454 28.669 19.313 132 1HB LYS 18 1HB LYS 18 -23.039 27.265 18.925 133 2HB LYS 18 2HB LYS 18 -22.657 28.838 19.607 134 1HG LYS 18 1HG LYS 18 -23.903 29.326 17.709 135 2HG LYS 18 2HG LYS 18 -22.258 29.560 17.131 136 1HD LYS 18 1HD LYS 18 -22.518 26.953 16.443 137 2HD LYS 18 2HD LYS 18 -24.227 27.271 16.642 138 1HE LYS 18 1HE LYS 18 -24.237 28.875 14.857 139 2HE LYS 18 2HE LYS 18 -22.474 29.012 14.857 140 1HZ LYS 18 1HZ LYS 18 -23.210 27.669 13.050 141 2HZ LYS 18 2HZ LYS 18 -22.314 26.760 14.087 142 3HZ LYS 18 3HZ LYS 18 -23.953 26.604 14.066 143 H ARG 19 H ARG 19 -19.462 27.379 20.875 144 HA ARG 19 HA ARG 19 -20.478 24.696 21.553 145 1HB ARG 19 1HB ARG 19 -17.538 25.472 21.191 146 2HB ARG 19 2HB ARG 19 -18.079 24.230 22.327 147 1HG ARG 19 1HG ARG 19 -17.591 22.922 20.506 148 2HG ARG 19 2HG ARG 19 -19.335 23.153 20.348 149 1HD ARG 19 1HD ARG 19 -18.337 25.319 18.934 150 2HD ARG 19 2HD ARG 19 -17.071 24.131 18.679 151 HE ARG 19 HE ARG 19 -19.846 24.128 17.684 152 1HH1 ARG 19 1HH1 ARG 19 -16.800 22.282 17.837 153 2HH1 ARG 19 2HH1 ARG 19 -17.369 21.013 16.817 154 1HH2 ARG 19 1HH2 ARG 19 -20.443 22.726 16.161 155 2HH2 ARG 19 2HH2 ARG 19 -19.551 21.246 15.823 156 H PHE 20 H PHE 20 -21.696 25.393 23.226 157 HA PHE 20 HA PHE 20 -20.725 27.491 24.868 158 1HB PHE 20 1HB PHE 20 -23.121 25.590 25.334 159 2HB PHE 20 2HB PHE 20 -23.239 27.245 25.719 160 HD1 PHE 20 HD1 PHE 20 -23.805 24.645 22.938 161 HD2 PHE 20 HD2 PHE 20 -23.485 28.994 23.485 162 HE1 PHE 20 HE1 PHE 20 -24.841 25.035 20.862 163 HE2 PHE 20 HE2 PHE 20 -24.542 29.277 21.383 164 HZ PHE 20 HZ PHE 20 -25.251 27.331 20.022 165 H VAL 21 H VAL 21 -20.573 24.071 24.810 166 HA VAL 21 HA VAL 21 -19.999 23.895 27.608 167 HB VAL 21 HB VAL 21 -21.341 21.467 26.993 168 1HG1 VAL 21 1HG1 VAL 21 -22.806 24.104 27.411 169 2HG1 VAL 21 2HG1 VAL 21 -23.396 22.476 27.797 170 3HG1 VAL 21 3HG1 VAL 21 -22.053 23.178 28.727 171 1HG2 VAL 21 1HG2 VAL 21 -21.393 21.949 24.708 172 2HG2 VAL 21 2HG2 VAL 21 -22.922 21.530 25.516 173 3HG2 VAL 21 3HG2 VAL 21 -22.614 23.221 25.051 174 HA PRO 22 HA PRO 22 -19.463 21.441 28.582 175 1HB PRO 22 1HB PRO 22 -17.243 20.509 29.841 176 2HB PRO 22 2HB PRO 22 -18.141 19.558 28.622 177 1HG PRO 22 1HG PRO 22 -15.687 21.269 28.170 178 2HG PRO 22 2HG PRO 22 -15.954 19.577 27.662 179 1HD PRO 22 1HD PRO 22 -16.390 21.732 26.038 180 2HD PRO 22 2HD PRO 22 -17.398 20.257 25.896 181 H SER 23 H SER 23 -17.326 23.748 27.518 182 HA SER 23 HA SER 23 -17.651 25.396 29.899 183 1HB SER 23 1HB SER 23 -15.175 24.347 29.724 184 2HB SER 23 2HB SER 23 -14.989 25.300 28.269 185 HG SER 23 HG SER 23 -15.547 26.252 30.884 186 H GLN 24 H GLN 24 -17.239 27.815 29.287 187 HA GLN 24 HA GLN 24 -18.896 28.259 27.019 188 1HB GLN 24 1HB GLN 24 -17.593 30.444 28.581 189 2HB GLN 24 2HB GLN 24 -19.120 30.347 27.745 190 1HG GLN 24 1HG GLN 24 -18.615 28.769 30.447 191 2HG GLN 24 2HG GLN 24 -19.690 30.115 30.307 192 1HE2 GLN 24 1HE2 GLN 24 -21.274 29.725 28.163 193 2HE2 GLN 24 2HE2 GLN 24 -22.062 28.161 28.288 194 H HIS 25 H HIS 25 -17.862 28.408 24.833 195 HA HIS 25 HA HIS 25 -15.874 30.390 24.527 196 1HB HIS 25 1HB HIS 25 -14.431 28.287 23.462 197 2HB HIS 25 2HB HIS 25 -14.141 28.857 25.131 198 HD1 HIS 25 HD1 HIS 25 -16.834 26.572 23.608 199 HD2 HIS 25 HD2 HIS 25 -13.566 26.359 26.224 200 HE1 HIS 25 HE1 HIS 25 -16.765 24.227 24.520 201 H TYR 26 H TYR 26 -16.800 31.243 22.472 202 HA TYR 26 HA TYR 26 -17.881 29.277 20.648 203 1HB TYR 26 1HB TYR 26 -17.432 32.271 20.536 204 2HB TYR 26 2HB TYR 26 -17.608 31.436 19.043 205 HD1 TYR 26 HD1 TYR 26 -19.696 30.418 22.153 206 HD2 TYR 26 HD2 TYR 26 -19.864 32.428 18.260 207 HE1 TYR 26 HE1 TYR 26 -22.065 30.509 22.248 208 HE2 TYR 26 HE2 TYR 26 -22.231 32.475 18.436 209 HH TYR 26 HH TYR 26 -24.089 32.002 19.709 210 H VAL 27 H VAL 27 -17.124 28.937 18.431 211 HA VAL 27 HA VAL 27 -14.167 29.146 18.137 212 HB VAL 27 HB VAL 27 -13.924 26.836 17.846 213 1HG1 VAL 27 1HG1 VAL 27 -16.208 26.906 19.859 214 2HG1 VAL 27 2HG1 VAL 27 -15.030 25.632 19.680 215 3HG1 VAL 27 3HG1 VAL 27 -14.497 27.234 20.224 216 1HG2 VAL 27 1HG2 VAL 27 -15.650 25.218 17.415 217 2HG2 VAL 27 2HG2 VAL 27 -16.871 26.512 17.431 218 3HG2 VAL 27 3HG2 VAL 27 -15.618 26.425 16.156 219 H TYR 28 H TYR 28 -13.695 28.173 15.691 220 HA TYR 28 HA TYR 28 -15.578 29.584 14.041 221 1HB TYR 28 1HB TYR 28 -13.247 29.438 12.570 222 2HB TYR 28 2HB TYR 28 -13.962 30.821 13.420 223 HD1 TYR 28 HD1 TYR 28 -11.657 27.957 14.244 224 HD2 TYR 28 HD2 TYR 28 -12.591 32.154 14.614 225 HE1 TYR 28 HE1 TYR 28 -9.762 28.265 15.597 226 HE2 TYR 28 HE2 TYR 28 -10.607 32.502 15.986 227 HH TYR 28 HH TYR 28 -8.414 29.798 16.859 228 H MET 29 H MET 29 -16.417 28.700 12.239 229 HA MET 29 HA MET 29 -16.142 25.863 12.028 230 1HB MET 29 1HB MET 29 -18.286 26.850 11.741 231 2HB MET 29 2HB MET 29 -17.756 27.846 10.357 232 1HG MET 29 1HG MET 29 -19.072 25.914 9.641 233 2HG MET 29 2HG MET 29 -17.403 25.771 9.095 234 1HE MET 29 1HE MET 29 -16.509 23.684 8.974 235 2HE MET 29 2HE MET 29 -17.267 22.211 9.631 236 3HE MET 29 3HE MET 29 -18.208 23.330 8.579 237 H PHE 30 H PHE 30 -14.570 24.730 10.637 238 HA PHE 30 HA PHE 30 -13.294 26.282 8.587 239 1HB PHE 30 1HB PHE 30 -12.342 24.209 10.587 240 2HB PHE 30 2HB PHE 30 -11.621 24.177 9.020 241 HD1 PHE 30 HD1 PHE 30 -12.427 27.205 11.628 242 HD2 PHE 30 HD2 PHE 30 -9.545 25.542 8.723 243 HE1 PHE 30 HE1 PHE 30 -10.972 28.925 11.963 244 HE2 PHE 30 HE2 PHE 30 -8.132 27.346 9.157 245 HZ PHE 30 HZ PHE 30 -8.757 29.077 10.751 246 H LEU 31 H LEU 31 -13.029 25.600 6.385 247 HA LEU 31 HA LEU 31 -14.230 23.040 5.731 248 1HB LEU 31 1HB LEU 31 -14.109 25.755 4.496 249 2HB LEU 31 2HB LEU 31 -13.941 24.398 3.388 250 HG LEU 31 HG LEU 31 -16.250 25.283 3.678 251 1HD1 LEU 31 1HD1 LEU 31 -15.724 22.365 4.277 252 2HD1 LEU 31 2HD1 LEU 31 -17.266 23.047 3.699 253 3HD1 LEU 31 3HD1 LEU 31 -15.803 23.152 2.687 254 1HD2 LEU 31 1HD2 LEU 31 -16.113 25.531 6.219 255 2HD2 LEU 31 2HD2 LEU 31 -17.582 24.758 5.591 256 3HD2 LEU 31 3HD2 LEU 31 -16.321 23.780 6.342 257 H VAL 32 H VAL 32 -12.751 21.336 5.316 258 HA VAL 32 HA VAL 32 -10.106 22.215 4.365 259 HB VAL 32 HB VAL 32 -9.604 21.131 6.157 260 1HG1 VAL 32 1HG1 VAL 32 -10.524 19.030 6.993 261 2HG1 VAL 32 2HG1 VAL 32 -11.757 20.293 6.853 262 3HG1 VAL 32 3HG1 VAL 32 -11.676 18.992 5.632 263 1HG2 VAL 32 1HG2 VAL 32 -9.541 18.968 4.020 264 2HG2 VAL 32 2HG2 VAL 32 -8.326 20.230 4.318 265 3HG2 VAL 32 3HG2 VAL 32 -8.621 18.950 5.518 266 H LYS 33 H LYS 33 -9.402 21.588 2.290 267 HA LYS 33 HA LYS 33 -11.398 20.101 0.735 268 1HB LYS 33 1HB LYS 33 -10.935 22.569 0.299 269 2HB LYS 33 2HB LYS 33 -9.455 22.001 -0.491 270 1HG LYS 33 1HG LYS 33 -10.621 20.854 -2.175 271 2HG LYS 33 2HG LYS 33 -12.092 20.692 -1.221 272 1HD LYS 33 1HD LYS 33 -11.123 23.269 -2.505 273 2HD LYS 33 2HD LYS 33 -12.463 22.227 -3.017 274 1HE LYS 33 1HE LYS 33 -13.312 22.660 -0.504 275 2HE LYS 33 2HE LYS 33 -12.302 24.111 -0.660 276 1HZ LYS 33 1HZ LYS 33 -14.577 23.300 -2.326 277 2HZ LYS 33 2HZ LYS 33 -14.506 24.572 -1.302 278 3HZ LYS 33 3HZ LYS 33 -13.607 24.598 -2.686 279 H TRP 34 H TRP 34 -10.678 17.902 0.433 280 HA TRP 34 HA TRP 34 -7.785 17.588 0.318 281 1HB TRP 34 1HB TRP 34 -10.002 15.547 0.377 282 2HB TRP 34 2HB TRP 34 -8.291 15.213 0.350 283 HD1 TRP 34 HD1 TRP 34 -10.875 16.798 2.732 284 HE1 TRP 34 HE1 TRP 34 -10.108 16.319 5.163 285 HE3 TRP 34 HE3 TRP 34 -6.407 14.593 1.725 286 HZ2 TRP 34 HZ2 TRP 34 -7.841 15.096 6.487 287 HZ3 TRP 34 HZ3 TRP 34 -4.950 13.777 3.583 288 HH2 TRP 34 HH2 TRP 34 -5.678 13.970 5.920 289 H GLN 35 H GLN 35 -6.831 16.446 -1.569 290 HA GLN 35 HA GLN 35 -8.371 17.058 -4.041 291 1HB GLN 35 1HB GLN 35 -6.136 16.948 -5.203 292 2HB GLN 35 2HB GLN 35 -5.680 17.630 -3.660 293 1HG GLN 35 1HG GLN 35 -5.471 14.678 -4.399 294 2HG GLN 35 2HG GLN 35 -4.212 15.896 -4.501 295 1HE2 GLN 35 1HE2 GLN 35 -6.101 13.912 -2.261 296 2HE2 GLN 35 2HE2 GLN 35 -5.176 14.372 -0.833 297 H ASP 36 H ASP 36 -8.320 14.526 -2.025 298 HA ASP 36 HA ASP 36 -9.107 12.689 -4.169 299 1HB ASP 36 1HB ASP 36 -6.720 12.068 -3.235 300 2HB ASP 36 2HB ASP 36 -7.389 12.017 -1.624 301 H LEU 37 H LEU 37 -9.119 13.048 -0.614 302 HA LEU 37 HA LEU 37 -11.555 11.604 -0.287 303 1HB LEU 37 1HB LEU 37 -10.270 13.578 1.510 304 2HB LEU 37 2HB LEU 37 -11.698 12.621 1.872 305 HG LEU 37 HG LEU 37 -10.298 10.431 1.725 306 1HD1 LEU 37 1HD1 LEU 37 -8.495 11.127 0.269 307 2HD1 LEU 37 2HD1 LEU 37 -8.060 12.460 1.371 308 3HD1 LEU 37 3HD1 LEU 37 -7.852 10.761 1.865 309 1HD2 LEU 37 1HD2 LEU 37 -10.865 11.446 3.767 310 2HD2 LEU 37 2HD2 LEU 37 -9.261 10.688 3.764 311 3HD2 LEU 37 3HD2 LEU 37 -9.398 12.473 3.681 312 H SER 38 H SER 38 -11.096 14.757 -1.560 313 HA SER 38 HA SER 38 -12.612 16.325 -2.365 314 1HB SER 38 1HB SER 38 -14.196 14.148 -2.631 315 2HB SER 38 2HB SER 38 -14.986 14.725 -1.174 316 HG SER 38 HG SER 38 -14.651 16.149 -3.599 317 H GLU 39 H GLU 39 -15.039 17.186 -1.148 318 HA GLU 39 HA GLU 39 -13.812 18.941 0.695 319 1HB GLU 39 1HB GLU 39 -16.777 18.684 -0.182 320 2HB GLU 39 2HB GLU 39 -16.190 19.989 0.830 321 1HG GLU 39 1HG GLU 39 -14.422 20.458 -0.975 322 2HG GLU 39 2HG GLU 39 -15.305 19.336 -2.022 323 H LYS 40 H LYS 40 -13.819 18.969 2.979 324 HA LYS 40 HA LYS 40 -15.591 17.095 4.419 325 1HB LYS 40 1HB LYS 40 -12.556 17.103 4.355 326 2HB LYS 40 2HB LYS 40 -13.371 16.864 5.895 327 1HG LYS 40 1HG LYS 40 -12.889 14.725 5.083 328 2HG LYS 40 2HG LYS 40 -14.632 14.953 5.007 329 1HD LYS 40 1HD LYS 40 -13.468 15.781 2.487 330 2HD LYS 40 2HD LYS 40 -12.717 14.280 2.910 331 1HE LYS 40 1HE LYS 40 -15.729 14.361 3.194 332 2HE LYS 40 2HE LYS 40 -15.093 14.490 1.560 333 1HZ LYS 40 1HZ LYS 40 -15.525 12.239 2.222 334 2HZ LYS 40 2HZ LYS 40 -13.982 12.526 1.731 335 3HZ LYS 40 3HZ LYS 40 -14.318 12.318 3.347 336 H VAL 41 H VAL 41 -15.991 17.960 6.643 337 HA VAL 41 HA VAL 41 -15.120 20.732 6.887 338 HB VAL 41 HB VAL 41 -17.175 21.369 7.452 339 1HG1 VAL 41 1HG1 VAL 41 -17.829 19.136 5.491 340 2HG1 VAL 41 2HG1 VAL 41 -18.652 20.694 5.675 341 3HG1 VAL 41 3HG1 VAL 41 -16.996 20.635 5.060 342 1HG2 VAL 41 1HG2 VAL 41 -19.053 19.878 8.100 343 2HG2 VAL 41 2HG2 VAL 41 -17.918 18.499 8.063 344 3HG2 VAL 41 3HG2 VAL 41 -17.696 19.821 9.232 345 H VAL 42 H VAL 42 -14.611 21.567 8.980 346 HA VAL 42 HA VAL 42 -14.608 19.679 11.203 347 HB VAL 42 HB VAL 42 -12.270 19.801 11.662 348 1HG1 VAL 42 1HG1 VAL 42 -12.902 18.110 9.938 349 2HG1 VAL 42 2HG1 VAL 42 -12.403 19.235 8.681 350 3HG1 VAL 42 3HG1 VAL 42 -11.208 18.628 9.838 351 1HG2 VAL 42 1HG2 VAL 42 -11.953 21.702 9.313 352 2HG2 VAL 42 2HG2 VAL 42 -11.674 22.050 11.041 353 3HG2 VAL 42 3HG2 VAL 42 -10.612 20.934 10.188 354 H TYR 43 H TYR 43 -13.893 20.900 13.257 355 HA TYR 43 HA TYR 43 -14.693 23.706 13.079 356 1HB TYR 43 1HB TYR 43 -14.890 21.847 15.406 357 2HB TYR 43 2HB TYR 43 -15.663 23.385 15.179 358 HD1 TYR 43 HD1 TYR 43 -15.654 19.776 13.576 359 HD2 TYR 43 HD2 TYR 43 -18.152 23.320 14.113 360 HE1 TYR 43 HE1 TYR 43 -17.457 18.692 12.599 361 HE2 TYR 43 HE2 TYR 43 -19.920 22.174 13.125 362 HH TYR 43 HH TYR 43 -20.677 20.227 12.111 363 H ARG 44 H ARG 44 -13.389 25.161 14.478 364 HA ARG 44 HA ARG 44 -11.124 23.775 15.825 365 1HB ARG 44 1HB ARG 44 -10.626 26.010 13.823 366 2HB ARG 44 2HB ARG 44 -9.450 25.251 14.904 367 1HG ARG 44 1HG ARG 44 -10.171 23.015 13.724 368 2HG ARG 44 2HG ARG 44 -10.803 24.088 12.463 369 1HD ARG 44 1HD ARG 44 -7.967 23.708 13.486 370 2HD ARG 44 2HD ARG 44 -8.602 23.334 11.873 371 HE ARG 44 HE ARG 44 -8.914 26.123 12.361 372 1HH1 ARG 44 1HH1 ARG 44 -6.424 23.708 11.652 373 2HH1 ARG 44 2HH1 ARG 44 -5.234 24.860 11.142 374 1HH2 ARG 44 1HH2 ARG 44 -7.278 27.669 11.813 375 2HH2 ARG 44 2HH2 ARG 44 -5.719 27.145 11.237 376 H ARG 45 H ARG 45 -10.388 24.874 17.677 377 HA ARG 45 HA ARG 45 -11.777 27.374 18.380 378 1HB ARG 45 1HB ARG 45 -10.540 25.775 20.549 379 2HB ARG 45 2HB ARG 45 -12.027 26.696 20.510 380 1HG ARG 45 1HG ARG 45 -13.096 24.841 19.184 381 2HG ARG 45 2HG ARG 45 -11.639 23.882 19.353 382 1HD ARG 45 1HD ARG 45 -13.163 25.003 21.730 383 2HD ARG 45 2HD ARG 45 -13.446 23.393 21.049 384 HE ARG 45 HE ARG 45 -10.795 23.221 21.457 385 1HH1 ARG 45 1HH1 ARG 45 -13.399 24.242 23.657 386 2HH1 ARG 45 2HH1 ARG 45 -12.602 23.617 25.066 387 1HH2 ARG 45 1HH2 ARG 45 -9.809 22.405 23.226 388 2HH2 ARG 45 2HH2 ARG 45 -10.500 22.529 24.837 389 H PHE 46 H PHE 46 -10.532 28.732 19.978 390 HA PHE 46 HA PHE 46 -8.073 29.547 18.838 391 1HB PHE 46 1HB PHE 46 -7.957 30.973 20.894 392 2HB PHE 46 2HB PHE 46 -9.396 31.124 19.914 393 HD1 PHE 46 HD1 PHE 46 -8.068 30.066 23.198 394 HD2 PHE 46 HD2 PHE 46 -11.617 30.420 20.754 395 HE1 PHE 46 HE1 PHE 46 -9.490 29.747 25.196 396 HE2 PHE 46 HE2 PHE 46 -13.019 30.102 22.753 397 HZ PHE 46 HZ PHE 46 -11.961 29.764 24.986 398 H THR 47 H THR 47 -8.702 27.881 21.874 399 HA THR 47 HA THR 47 -5.985 27.474 22.618 400 HB THR 47 HB THR 47 -7.870 27.306 24.187 401 HG1 THR 47 HG1 THR 47 -6.196 25.044 23.919 402 1HG2 THR 47 1HG2 THR 47 -9.508 26.070 22.781 403 2HG2 THR 47 2HG2 THR 47 -8.468 24.628 22.847 404 3HG2 THR 47 3HG2 THR 47 -9.207 25.263 24.328 405 H GLU 48 H GLU 48 -7.844 25.852 20.142 406 HA GLU 48 HA GLU 48 -6.213 23.470 20.110 407 1HB GLU 48 1HB GLU 48 -8.177 24.624 18.080 408 2HB GLU 48 2HB GLU 48 -7.372 23.128 18.035 409 1HG GLU 48 1HG GLU 48 -9.391 24.036 20.096 410 2HG GLU 48 2HG GLU 48 -9.661 22.788 18.854 411 H ILE 49 H ILE 49 -6.648 26.459 18.157 412 HA ILE 49 HA ILE 49 -4.489 25.889 16.354 413 HB ILE 49 HB ILE 49 -5.765 28.526 17.152 414 1HG1 ILE 49 1HG1 ILE 49 -5.955 28.541 14.547 415 2HG1 ILE 49 2HG1 ILE 49 -5.560 26.828 14.599 416 1HG2 ILE 49 1HG2 ILE 49 -4.239 29.593 15.438 417 2HG2 ILE 49 2HG2 ILE 49 -3.525 29.210 16.993 418 3HG2 ILE 49 3HG2 ILE 49 -3.214 28.147 15.615 419 1HD1 ILE 49 1HD1 ILE 49 -7.806 28.175 16.095 420 2HD1 ILE 49 2HD1 ILE 49 -8.038 27.406 14.505 421 3HD1 ILE 49 3HD1 ILE 49 -7.647 26.425 15.919 422 H TYR 50 H TYR 50 -4.550 27.466 19.563 423 HA TYR 50 HA TYR 50 -1.708 27.994 19.618 424 1HB TYR 50 1HB TYR 50 -3.515 27.483 22.017 425 2HB TYR 50 2HB TYR 50 -2.054 28.407 21.995 426 HD1 TYR 50 HD1 TYR 50 -4.966 29.486 22.973 427 HD2 TYR 50 HD2 TYR 50 -2.940 29.922 19.126 428 HE1 TYR 50 HE1 TYR 50 -6.225 31.442 22.481 429 HE2 TYR 50 HE2 TYR 50 -4.238 31.878 18.695 430 HH TYR 50 HH TYR 50 -6.733 33.112 20.913 431 H GLU 51 H GLU 51 -3.615 25.291 20.913 432 HA GLU 51 HA GLU 51 -1.333 23.999 22.029 433 1HB GLU 51 1HB GLU 51 -3.615 23.290 22.591 434 2HB GLU 51 2HB GLU 51 -3.825 22.610 20.963 435 1HG GLU 51 1HG GLU 51 -1.957 21.037 21.387 436 2HG GLU 51 2HG GLU 51 -1.678 21.782 22.970 437 H PHE 52 H PHE 52 -2.803 23.675 18.827 438 HA PHE 52 HA PHE 52 -1.070 21.786 17.638 439 1HB PHE 52 1HB PHE 52 -2.984 22.586 16.403 440 2HB PHE 52 2HB PHE 52 -2.479 24.224 16.452 441 HD1 PHE 52 HD1 PHE 52 -0.238 24.993 14.731 442 HD2 PHE 52 HD2 PHE 52 -2.037 21.006 14.756 443 HE1 PHE 52 HE1 PHE 52 0.786 24.429 12.671 444 HE2 PHE 52 HE2 PHE 52 -0.970 20.547 12.691 445 HZ PHE 52 HZ PHE 52 0.465 22.269 11.581 446 H HIS 53 H HIS 53 -0.919 25.318 17.267 447 HA HIS 53 HA HIS 53 1.541 25.301 16.087 448 1HB HIS 53 1HB HIS 53 -0.200 27.124 16.190 449 2HB HIS 53 2HB HIS 53 0.444 27.592 17.783 450 HD1 HIS 53 HD1 HIS 53 1.877 26.517 14.464 451 HD2 HIS 53 HD2 HIS 53 2.277 29.761 17.073 452 HE1 HIS 53 HE1 HIS 53 3.501 27.956 13.433 453 H LYS 54 H LYS 54 0.759 25.403 19.419 454 HA LYS 54 HA LYS 54 3.444 25.897 20.374 455 1HB LYS 54 1HB LYS 54 1.651 26.247 21.924 456 2HB LYS 54 2HB LYS 54 1.104 24.564 21.775 457 1HG LYS 54 1HG LYS 54 3.071 23.726 22.874 458 2HG LYS 54 2HG LYS 54 3.840 25.330 22.858 459 1HD LYS 54 1HD LYS 54 2.144 26.196 24.398 460 2HD LYS 54 2HD LYS 54 1.195 24.711 24.247 461 1HE LYS 54 1HE LYS 54 2.395 24.766 26.376 462 2HE LYS 54 2HE LYS 54 2.921 23.399 25.383 463 1HZ LYS 54 1HZ LYS 54 4.700 24.652 26.497 464 2HZ LYS 54 2HZ LYS 54 4.928 24.488 24.907 465 3HZ LYS 54 3HZ LYS 54 4.404 25.940 25.515 466 H THR 55 H THR 55 1.665 22.962 19.549 467 HA THR 55 HA THR 55 3.829 21.179 20.395 468 HB THR 55 HB THR 55 1.488 20.682 18.523 469 HG1 THR 55 HG1 THR 55 1.883 20.179 21.291 470 1HG2 THR 55 1HG2 THR 55 3.105 19.023 18.094 471 2HG2 THR 55 2HG2 THR 55 3.387 18.737 19.829 472 3HG2 THR 55 3HG2 THR 55 1.828 18.304 19.071 473 H LEU 56 H LEU 56 3.016 22.719 17.337 474 HA LEU 56 HA LEU 56 5.060 21.382 15.924 475 1HB LEU 56 1HB LEU 56 3.205 23.034 15.002 476 2HB LEU 56 2HB LEU 56 4.271 24.314 15.478 477 HG LEU 56 HG LEU 56 4.294 23.951 13.188 478 1HD1 LEU 56 1HD1 LEU 56 7.019 23.185 14.178 479 2HD1 LEU 56 2HD1 LEU 56 6.569 24.245 12.853 480 3HD1 LEU 56 3HD1 LEU 56 6.323 24.790 14.516 481 1HD2 LEU 56 1HD2 LEU 56 4.246 21.824 12.322 482 2HD2 LEU 56 2HD2 LEU 56 5.993 21.894 12.491 483 3HD2 LEU 56 3HD2 LEU 56 5.019 21.105 13.737 484 H LYS 57 H LYS 57 5.110 24.463 17.714 485 HA LYS 57 HA LYS 57 7.906 24.788 17.256 486 1HB LYS 57 1HB LYS 57 6.069 25.852 19.487 487 2HB LYS 57 2HB LYS 57 7.732 26.380 19.233 488 1HG LYS 57 1HG LYS 57 6.897 27.079 16.825 489 2HG LYS 57 2HG LYS 57 5.289 26.967 17.500 490 1HD LYS 57 1HD LYS 57 5.677 28.703 19.096 491 2HD LYS 57 2HD LYS 57 7.420 28.536 18.966 492 1HE LYS 57 1HE LYS 57 7.078 30.526 17.893 493 2HE LYS 57 2HE LYS 57 7.261 29.388 16.557 494 1HZ LYS 57 1HZ LYS 57 4.706 30.412 17.622 495 2HZ LYS 57 2HZ LYS 57 5.441 30.953 16.264 496 3HZ LYS 57 3HZ LYS 57 4.849 29.431 16.310 497 H GLU 58 H GLU 58 6.274 22.835 19.576 498 HA GLU 58 HA GLU 58 8.554 22.669 21.332 499 1HB GLU 58 1HB GLU 58 5.954 20.997 21.134 500 2HB GLU 58 2HB GLU 58 7.140 20.628 22.306 501 1HG GLU 58 1HG GLU 58 6.288 23.620 22.209 502 2HG GLU 58 2HG GLU 58 5.128 22.501 22.876 503 H MET 59 H MET 59 6.920 20.378 19.029 504 HA MET 59 HA MET 59 8.960 18.431 19.222 505 1HB MET 59 1HB MET 59 7.196 19.068 16.891 506 2HB MET 59 2HB MET 59 7.995 17.545 17.152 507 1HG MET 59 1HG MET 59 6.507 17.038 19.067 508 2HG MET 59 2HG MET 59 5.669 18.563 18.845 509 1HE MET 59 1HE MET 59 4.033 17.974 15.247 510 2HE MET 59 2HE MET 59 4.466 19.219 16.435 511 3HE MET 59 3HE MET 59 5.712 18.465 15.448 512 H PHE 60 H PHE 60 8.388 21.047 16.786 513 HA PHE 60 HA PHE 60 11.003 20.545 15.609 514 1HB PHE 60 1HB PHE 60 8.863 22.468 14.873 515 2HB PHE 60 2HB PHE 60 10.345 22.188 14.095 516 HD1 PHE 60 HD1 PHE 60 6.878 20.426 14.710 517 HD2 PHE 60 HD2 PHE 60 10.665 20.093 12.539 518 HE1 PHE 60 HE1 PHE 60 6.018 18.689 13.319 519 HE2 PHE 60 HE2 PHE 60 9.719 18.360 11.219 520 HZ PHE 60 HZ PHE 60 7.377 17.623 11.573 521 HA PRO 61 HA PRO 61 11.557 24.421 18.348 522 1HB PRO 61 1HB PRO 61 14.107 24.230 19.220 523 2HB PRO 61 2HB PRO 61 12.780 23.286 19.964 524 1HG PRO 61 1HG PRO 61 14.781 22.361 17.905 525 2HG PRO 61 2HG PRO 61 14.267 21.518 19.393 526 1HD PRO 61 1HD PRO 61 13.298 21.041 16.904 527 2HD PRO 61 2HD PRO 61 12.283 20.780 18.386 528 H ILE 62 H ILE 62 13.230 23.019 15.687 529 HA ILE 62 HA ILE 62 14.772 25.254 14.841 530 HB ILE 62 HB ILE 62 13.593 23.006 13.252 531 1HG1 ILE 62 1HG1 ILE 62 14.888 21.915 15.002 532 2HG1 ILE 62 2HG1 ILE 62 15.771 21.794 13.484 533 1HG2 ILE 62 1HG2 ILE 62 15.924 24.655 12.547 534 2HG2 ILE 62 2HG2 ILE 62 15.264 23.263 11.637 535 3HG2 ILE 62 3HG2 ILE 62 14.287 24.716 11.828 536 1HD1 ILE 62 1HD1 ILE 62 17.288 22.339 15.313 537 2HD1 ILE 62 2HD1 ILE 62 17.224 23.707 14.192 538 3HD1 ILE 62 3HD1 ILE 62 16.344 23.773 15.738 539 H GLU 63 H GLU 63 11.513 23.923 14.023 540 HA GLU 63 HA GLU 63 11.072 26.021 12.141 541 1HB GLU 63 1HB GLU 63 9.923 23.866 12.038 542 2HB GLU 63 2HB GLU 63 8.897 24.366 13.396 543 1HG GLU 63 1HG GLU 63 7.912 26.139 12.110 544 2HG GLU 63 2HG GLU 63 9.189 26.095 10.900 545 H ALA 64 H ALA 64 11.459 26.160 15.440 546 HA ALA 64 HA ALA 64 10.112 28.732 15.577 547 1HB ALA 64 1HB ALA 64 10.447 26.749 17.895 548 2HB ALA 64 2HB ALA 64 9.470 28.238 17.906 549 3HB ALA 64 3HB ALA 64 8.974 26.828 16.923 550 H GLY 65 H GLY 65 12.758 28.104 14.764 551 1HA GLY 65 1HA GLY 65 14.054 29.952 16.552 552 2HA GLY 65 2HA GLY 65 14.730 28.281 16.589 553 H ALA 66 H ALA 66 14.723 27.441 14.033 554 HA ALA 66 HA ALA 66 16.593 29.339 12.851 555 1HB ALA 66 1HB ALA 66 15.794 26.652 11.725 556 2HB ALA 66 2HB ALA 66 17.261 27.569 11.365 557 3HB ALA 66 3HB ALA 66 17.078 26.812 12.964 558 H ILE 67 H ILE 67 13.359 28.450 12.690 559 HA ILE 67 HA ILE 67 13.025 29.935 10.089 560 HB ILE 67 HB ILE 67 11.127 27.938 11.307 561 1HG1 ILE 67 1HG1 ILE 67 13.487 27.533 9.375 562 2HG1 ILE 67 2HG1 ILE 67 13.226 26.700 10.910 563 1HG2 ILE 67 1HG2 ILE 67 10.139 29.378 9.558 564 2HG2 ILE 67 2HG2 ILE 67 11.465 28.961 8.458 565 3HG2 ILE 67 3HG2 ILE 67 10.272 27.743 8.978 566 1HD1 ILE 67 1HD1 ILE 67 11.780 26.210 8.315 567 2HD1 ILE 67 2HD1 ILE 67 12.862 25.137 9.203 568 3HD1 ILE 67 3HD1 ILE 67 11.273 25.516 9.883 569 H ASN 68 H ASN 68 13.051 30.585 13.162 570 HA ASN 68 HA ASN 68 10.499 32.087 13.132 571 1HB ASN 68 1HB ASN 68 12.040 30.990 15.264 572 2HB ASN 68 2HB ASN 68 11.931 32.730 15.513 573 1HD2 ASN 68 1HD2 ASN 68 9.611 30.390 14.016 574 2HD2 ASN 68 2HD2 ASN 68 8.282 30.791 15.078 575 HA PRO 69 HA PRO 69 12.902 35.961 13.158 576 1HB PRO 69 1HB PRO 69 15.619 36.116 12.660 577 2HB PRO 69 2HB PRO 69 14.971 35.770 14.292 578 1HG PRO 69 1HG PRO 69 16.024 33.806 12.258 579 2HG PRO 69 2HG PRO 69 16.332 33.847 14.013 580 1HD PRO 69 1HD PRO 69 14.434 32.230 12.804 581 2HD PRO 69 2HD PRO 69 14.251 32.832 14.488 582 H GLU 70 H GLU 70 14.465 33.881 10.849 583 HA GLU 70 HA GLU 70 14.309 35.863 8.772 584 1HB GLU 70 1HB GLU 70 14.909 33.818 7.219 585 2HB GLU 70 2HB GLU 70 15.890 33.735 8.630 586 1HG GLU 70 1HG GLU 70 15.086 31.553 8.848 587 2HG GLU 70 2HG GLU 70 13.644 32.201 9.525 588 H ASN 71 H ASN 71 12.180 33.350 9.864 589 HA ASN 71 HA ASN 71 10.115 34.308 7.942 590 1HB ASN 71 1HB ASN 71 10.984 31.606 8.466 591 2HB ASN 71 2HB ASN 71 9.513 31.766 9.401 592 1HD2 ASN 71 1HD2 ASN 71 9.845 30.032 7.241 593 2HD2 ASN 71 2HD2 ASN 71 8.603 30.495 6.093 594 H ARG 72 H ARG 72 10.716 35.891 10.064 595 HA ARG 72 HA ARG 72 8.834 35.523 12.238 596 1HB ARG 72 1HB ARG 72 9.416 37.833 12.844 597 2HB ARG 72 2HB ARG 72 10.860 36.905 12.453 598 1HG ARG 72 1HG ARG 72 10.764 37.923 10.104 599 2HG ARG 72 2HG ARG 72 9.480 38.982 10.688 600 1HD ARG 72 1HD ARG 72 10.943 39.905 12.406 601 2HD ARG 72 2HD ARG 72 12.257 38.821 11.952 602 HE ARG 72 HE ARG 72 11.458 41.289 10.679 603 1HH1 ARG 72 1HH1 ARG 72 12.970 38.140 9.990 604 2HH1 ARG 72 2HH1 ARG 72 13.802 38.710 8.572 605 1HH2 ARG 72 1HH2 ARG 72 12.578 42.027 8.822 606 2HH2 ARG 72 2HH2 ARG 72 13.592 40.942 7.915 607 H ILE 73 H ILE 73 7.499 35.076 9.867 608 HA ILE 73 HA ILE 73 5.392 37.117 9.650 609 HB ILE 73 HB ILE 73 6.241 34.834 7.786 610 1HG1 ILE 73 1HG1 ILE 73 6.571 36.942 6.215 611 2HG1 ILE 73 2HG1 ILE 73 6.800 37.818 7.729 612 1HG2 ILE 73 1HG2 ILE 73 4.603 35.828 6.212 613 2HG2 ILE 73 2HG2 ILE 73 3.826 35.234 7.673 614 3HG2 ILE 73 3HG2 ILE 73 4.103 36.979 7.470 615 1HD1 ILE 73 1HD1 ILE 73 8.767 36.378 8.229 616 2HD1 ILE 73 2HD1 ILE 73 8.392 35.362 6.822 617 3HD1 ILE 73 3HD1 ILE 73 8.921 37.032 6.610 618 H ILE 74 H ILE 74 6.434 33.876 10.670 619 HA ILE 74 HA ILE 74 3.971 32.508 10.817 620 HB ILE 74 HB ILE 74 6.334 32.425 12.699 621 1HG1 ILE 74 1HG1 ILE 74 5.990 30.348 10.543 622 2HG1 ILE 74 2HG1 ILE 74 6.785 31.867 10.140 623 1HG2 ILE 74 1HG2 ILE 74 4.137 30.374 12.034 624 2HG2 ILE 74 2HG2 ILE 74 5.474 30.063 13.148 625 3HG2 ILE 74 3HG2 ILE 74 4.261 31.271 13.551 626 1HD1 ILE 74 1HD1 ILE 74 7.621 30.060 12.470 627 2HD1 ILE 74 2HD1 ILE 74 8.407 30.155 10.894 628 3HD1 ILE 74 3HD1 ILE 74 8.404 31.565 11.974 629 HA PRO 75 HA PRO 75 2.337 35.211 13.938 630 1HB PRO 75 1HB PRO 75 0.079 33.940 14.845 631 2HB PRO 75 2HB PRO 75 0.217 34.671 13.219 632 1HG PRO 75 1HG PRO 75 0.703 31.773 13.971 633 2HG PRO 75 2HG PRO 75 -0.351 32.437 12.686 634 1HD PRO 75 1HD PRO 75 2.204 31.589 12.165 635 2HD PRO 75 2HD PRO 75 1.521 33.033 11.351 636 H HIS 76 H HIS 76 1.872 35.175 16.427 637 HA HIS 76 HA HIS 76 2.490 32.827 17.945 638 1HB HIS 76 1HB HIS 76 4.526 33.777 19.092 639 2HB HIS 76 2HB HIS 76 4.775 33.236 17.441 640 HD1 HIS 76 HD1 HIS 76 4.670 36.388 19.528 641 HD2 HIS 76 HD2 HIS 76 5.515 35.203 15.599 642 HE1 HIS 76 HE1 HIS 76 5.756 38.364 18.362 643 H LEU 77 H LEU 77 2.750 33.536 20.330 644 HA LEU 77 HA LEU 77 2.048 34.543 22.165 645 1HB LEU 77 1HB LEU 77 0.496 36.649 20.625 646 2HB LEU 77 2HB LEU 77 0.900 36.621 22.332 647 HG LEU 77 HG LEU 77 2.826 37.009 20.018 648 1HD1 LEU 77 1HD1 LEU 77 1.974 38.839 22.290 649 2HD1 LEU 77 2HD1 LEU 77 3.139 39.226 21.004 650 3HD1 LEU 77 3HD1 LEU 77 1.435 38.948 20.599 651 1HD2 LEU 77 1HD2 LEU 77 4.558 37.392 21.791 652 2HD2 LEU 77 2HD2 LEU 77 3.408 36.805 23.010 653 3HD2 LEU 77 3HD2 LEU 77 4.014 35.711 21.744 654 HA PRO 78 HA PRO 78 -1.898 32.331 22.049 655 1HB PRO 78 1HB PRO 78 -2.281 31.899 24.697 656 2HB PRO 78 2HB PRO 78 -0.893 31.169 23.849 657 1HG PRO 78 1HG PRO 78 -0.910 33.749 25.450 658 2HG PRO 78 2HG PRO 78 0.187 32.350 25.655 659 1HD PRO 78 1HD PRO 78 0.858 34.535 24.149 660 2HD PRO 78 2HD PRO 78 1.371 32.882 23.681 661 H ALA 79 H ALA 79 -4.043 32.707 23.694 662 HA ALA 79 HA ALA 79 -4.941 35.382 23.026 663 1HB ALA 79 1HB ALA 79 -7.028 34.553 24.153 664 2HB ALA 79 2HB ALA 79 -6.470 33.610 22.776 665 3HB ALA 79 3HB ALA 79 -6.192 33.001 24.422 666 HA PRO 80 HA PRO 80 -3.569 36.598 27.224 667 1HB PRO 80 1HB PRO 80 -3.410 39.266 26.905 668 2HB PRO 80 2HB PRO 80 -2.293 38.158 26.062 669 1HG PRO 80 1HG PRO 80 -4.693 39.581 24.912 670 2HG PRO 80 2HG PRO 80 -3.100 39.295 24.179 671 1HD PRO 80 1HD PRO 80 -5.405 37.682 23.788 672 2HD PRO 80 2HD PRO 80 -3.717 37.236 23.425 673 H LYS 81 H LYS 81 -6.194 38.418 25.564 674 HA LYS 81 HA LYS 81 -7.847 38.571 28.038 675 1HB LYS 81 1HB LYS 81 -6.942 40.629 26.084 676 2HB LYS 81 2HB LYS 81 -8.475 40.823 26.889 677 1HG LYS 81 1HG LYS 81 -5.934 40.152 28.432 678 2HG LYS 81 2HG LYS 81 -6.351 41.805 28.021 679 1HD LYS 81 1HD LYS 81 -7.710 39.921 29.957 680 2HD LYS 81 2HD LYS 81 -7.043 41.518 30.249 681 1HE LYS 81 1HE LYS 81 -9.643 40.802 28.845 682 2HE LYS 81 2HE LYS 81 -9.449 41.666 30.363 683 1HZ LYS 81 1HZ LYS 81 -8.513 42.723 27.788 684 2HZ LYS 81 2HZ LYS 81 -9.970 43.083 28.421 685 3HZ LYS 81 3HZ LYS 81 -8.593 43.532 29.220 686 H TRP 82 H TRP 82 -8.136 36.501 26.988 687 HA TRP 82 HA TRP 82 -10.162 35.981 25.036 688 1HB TRP 82 1HB TRP 82 -10.299 33.820 26.503 689 2HB TRP 82 2HB TRP 82 -8.763 34.158 25.708 690 HD1 TRP 82 HD1 TRP 82 -6.679 34.811 27.185 691 HE1 TRP 82 HE1 TRP 82 -6.143 34.723 29.674 692 HE3 TRP 82 HE3 TRP 82 -11.392 33.897 28.991 693 HZ2 TRP 82 HZ2 TRP 82 -7.554 34.255 32.143 694 HZ3 TRP 82 HZ3 TRP 82 -11.749 33.614 31.422 695 HH2 TRP 82 HH2 TRP 82 -9.845 33.793 33.005 696 H PHE 83 H PHE 83 -9.972 36.847 28.449 697 HA PHE 83 HA PHE 83 -12.690 36.486 29.222 698 1HB PHE 83 1HB PHE 83 -10.678 36.570 30.733 699 2HB PHE 83 2HB PHE 83 -10.504 38.276 30.360 700 HD1 PHE 83 HD1 PHE 83 -12.938 35.770 31.751 701 HD2 PHE 83 HD2 PHE 83 -11.621 39.878 31.731 702 HE1 PHE 83 HE1 PHE 83 -14.482 36.278 33.623 703 HE2 PHE 83 HE2 PHE 83 -13.166 40.377 33.602 704 HZ PHE 83 HZ PHE 83 -14.598 38.581 34.552 705 H ASP 84 H ASP 84 -11.101 38.945 27.317 706 HA ASP 84 HA ASP 84 -12.847 41.153 28.050 707 1HB ASP 84 1HB ASP 84 -10.483 41.176 26.817 708 2HB ASP 84 2HB ASP 84 -11.339 40.913 25.348 709 H GLY 85 H GLY 85 -13.205 41.646 25.026 710 1HA GLY 85 1HA GLY 85 -15.657 40.175 24.457 711 2HA GLY 85 2HA GLY 85 -15.790 41.899 24.812 712 H GLN 86 H GLN 86 -15.100 43.360 23.223 713 HA GLN 86 HA GLN 86 -14.818 42.346 20.553 714 1HB GLN 86 1HB GLN 86 -15.823 44.584 21.126 715 2HB GLN 86 2HB GLN 86 -14.226 45.142 21.660 716 1HG GLN 86 1HG GLN 86 -13.340 44.847 19.368 717 2HG GLN 86 2HG GLN 86 -14.907 44.220 18.827 718 1HE2 GLN 86 1HE2 GLN 86 -16.832 45.773 19.229 719 2HE2 GLN 86 2HE2 GLN 86 -16.511 47.471 18.934 720 H ARG 87 H ARG 87 -12.628 43.061 23.109 721 HA ARG 87 HA ARG 87 -10.335 42.777 21.242 722 1HB ARG 87 1HB ARG 87 -10.693 44.271 23.671 723 2HB ARG 87 2HB ARG 87 -9.741 42.906 24.206 724 1HG ARG 87 1HG ARG 87 -9.059 44.845 21.936 725 2HG ARG 87 2HG ARG 87 -8.347 44.826 23.559 726 1HD ARG 87 1HD ARG 87 -7.438 42.540 23.106 727 2HD ARG 87 2HD ARG 87 -8.063 42.652 21.441 728 HE ARG 87 HE ARG 87 -6.467 44.925 21.925 729 1HH1 ARG 87 1HH1 ARG 87 -6.166 41.424 21.541 730 2HH1 ARG 87 2HH1 ARG 87 -4.584 41.471 20.832 731 1HH2 ARG 87 1HH2 ARG 87 -4.356 45.025 20.978 732 2HH2 ARG 87 2HH2 ARG 87 -3.537 43.562 20.508 733 H ALA 88 H ALA 88 -12.387 40.773 22.838 734 HA ALA 88 HA ALA 88 -10.391 38.647 23.255 735 1HB ALA 88 1HB ALA 88 -12.290 37.265 23.980 736 2HB ALA 88 2HB ALA 88 -12.185 38.753 24.924 737 3HB ALA 88 3HB ALA 88 -13.411 38.590 23.650 738 H ALA 89 H ALA 89 -12.932 39.759 21.234 739 HA ALA 89 HA ALA 89 -13.182 37.542 19.441 740 1HB ALA 89 1HB ALA 89 -14.993 39.136 19.780 741 2HB ALA 89 2HB ALA 89 -14.004 40.458 19.136 742 3HB ALA 89 3HB ALA 89 -14.500 39.124 18.078 743 H GLU 90 H GLU 90 -11.979 40.795 18.704 744 HA GLU 90 HA GLU 90 -10.636 40.008 16.331 745 1HB GLU 90 1HB GLU 90 -11.328 42.411 17.526 746 2HB GLU 90 2HB GLU 90 -9.572 42.443 17.690 747 1HG GLU 90 1HG GLU 90 -11.119 41.974 15.090 748 2HG GLU 90 2HG GLU 90 -10.501 43.538 15.629 749 H ASN 91 H ASN 91 -9.507 39.388 19.500 750 HA ASN 91 HA ASN 91 -6.670 39.484 18.702 751 1HB ASN 91 1HB ASN 91 -7.451 39.671 21.181 752 2HB ASN 91 2HB ASN 91 -7.998 38.016 21.140 753 1HD2 ASN 91 1HD2 ASN 91 -6.238 36.325 20.533 754 2HD2 ASN 91 2HD2 ASN 91 -4.612 36.680 21.078 755 H ARG 92 H ARG 92 -8.906 36.797 19.653 756 HA ARG 92 HA ARG 92 -7.272 34.901 18.254 757 1HB ARG 92 1HB ARG 92 -8.910 33.268 18.802 758 2HB ARG 92 2HB ARG 92 -8.839 34.370 20.187 759 1HG ARG 92 1HG ARG 92 -10.888 35.547 19.227 760 2HG ARG 92 2HG ARG 92 -10.961 34.274 17.991 761 1HD ARG 92 1HD ARG 92 -11.108 32.572 19.843 762 2HD ARG 92 2HD ARG 92 -11.159 33.898 21.001 763 HE ARG 92 HE ARG 92 -13.328 34.365 20.452 764 1HH1 ARG 92 1HH1 ARG 92 -12.069 32.096 18.026 765 2HH1 ARG 92 2HH1 ARG 92 -13.646 31.616 17.464 766 1HH2 ARG 92 1HH2 ARG 92 -15.392 33.762 19.675 767 2HH2 ARG 92 2HH2 ARG 92 -15.552 32.587 18.399 768 H GLN 93 H GLN 93 -9.859 36.954 17.184 769 HA GLN 93 HA GLN 93 -10.167 35.409 14.683 770 1HB GLN 93 1HB GLN 93 -11.446 38.005 15.526 771 2HB GLN 93 2HB GLN 93 -11.754 37.146 14.014 772 1HG GLN 93 1HG GLN 93 -12.526 35.160 15.172 773 2HG GLN 93 2HG GLN 93 -12.216 35.889 16.752 774 1HE2 GLN 93 1HE2 GLN 93 -14.764 34.855 15.747 775 2HE2 GLN 93 2HE2 GLN 93 -15.870 36.214 15.796 776 H GLY 94 H GLY 94 -7.753 37.387 15.727 777 1HA GLY 94 1HA GLY 94 -7.158 38.490 12.984 778 2HA GLY 94 2HA GLY 94 -6.474 39.072 14.510 779 H THR 95 H THR 95 -5.825 36.882 15.885 780 HA THR 95 HA THR 95 -3.444 35.905 14.662 781 HB THR 95 HB THR 95 -5.114 34.902 17.047 782 HG1 THR 95 HG1 THR 95 -3.612 36.150 18.241 783 1HG2 THR 95 1HG2 THR 95 -3.475 33.150 16.400 784 2HG2 THR 95 2HG2 THR 95 -2.173 34.361 16.362 785 3HG2 THR 95 3HG2 THR 95 -2.950 33.934 17.899 786 H LEU 96 H LEU 96 -6.660 34.412 15.028 787 HA LEU 96 HA LEU 96 -5.858 31.964 13.695 788 1HB LEU 96 1HB LEU 96 -7.851 32.098 15.080 789 2HB LEU 96 2HB LEU 96 -8.536 33.306 13.985 790 HG LEU 96 HG LEU 96 -9.720 31.464 13.526 791 1HD1 LEU 96 1HD1 LEU 96 -9.013 32.663 11.642 792 2HD1 LEU 96 2HD1 LEU 96 -7.793 31.332 11.333 793 3HD1 LEU 96 3HD1 LEU 96 -9.506 30.947 11.490 794 1HD2 LEU 96 1HD2 LEU 96 -8.061 29.595 14.285 795 2HD2 LEU 96 2HD2 LEU 96 -9.267 29.319 13.051 796 3HD2 LEU 96 3HD2 LEU 96 -7.616 29.570 12.558 797 H THR 97 H THR 97 -7.580 34.841 12.604 798 HA THR 97 HA THR 97 -7.755 34.364 9.849 799 HB THR 97 HB THR 97 -7.513 36.887 11.492 800 HG1 THR 97 HG1 THR 97 -9.583 36.841 11.215 801 1HG2 THR 97 1HG2 THR 97 -7.916 38.352 9.659 802 2HG2 THR 97 2HG2 THR 97 -6.295 37.663 9.661 803 3HG2 THR 97 3HG2 THR 97 -7.519 37.045 8.512 804 H GLU 98 H GLU 98 -4.919 35.443 11.567 805 HA GLU 98 HA GLU 98 -3.469 35.592 8.974 806 1HB GLU 98 1HB GLU 98 -3.124 37.299 10.915 807 2HB GLU 98 2HB GLU 98 -2.444 35.967 11.858 808 1HG GLU 98 1HG GLU 98 -0.681 35.683 10.089 809 2HG GLU 98 2HG GLU 98 -1.381 37.067 9.226 810 H TYR 99 H TYR 99 -3.632 33.495 11.820 811 HA TYR 99 HA TYR 99 -1.512 32.021 10.751 812 1HB TYR 99 1HB TYR 99 -2.672 31.529 13.122 813 2HB TYR 99 2HB TYR 99 -3.680 30.460 12.193 814 HD1 TYR 99 HD1 TYR 99 -0.015 30.702 11.085 815 HD2 TYR 99 HD2 TYR 99 -2.804 28.470 13.560 816 HE1 TYR 99 HE1 TYR 99 1.612 28.918 11.319 817 HE2 TYR 99 HE2 TYR 99 -1.075 26.694 13.756 818 HH TYR 99 HH TYR 99 2.009 26.845 11.991 819 H CYS 100 H CYS 100 -4.978 31.789 10.016 820 HA CYS 100 HA CYS 100 -4.790 29.339 8.580 821 1HB CYS 100 1HB CYS 100 -6.994 30.418 9.081 822 2HB CYS 100 2HB CYS 100 -6.597 31.747 7.962 823 HG CYS 100 HG CYS 100 -6.693 28.523 7.261 824 H SER 101 H SER 101 -4.380 32.709 7.491 825 HA SER 101 HA SER 101 -3.661 31.994 4.821 826 1HB SER 101 1HB SER 101 -2.811 34.396 6.531 827 2HB SER 101 2HB SER 101 -2.723 34.321 4.758 828 HG SER 101 HG SER 101 -4.656 35.335 5.700 829 H THR 102 H THR 102 -1.687 32.353 7.697 830 HA THR 102 HA THR 102 0.804 31.917 6.306 831 HB THR 102 HB THR 102 0.173 32.155 9.274 832 HG1 THR 102 HG1 THR 102 1.115 34.060 7.395 833 1HG2 THR 102 1HG2 THR 102 2.524 33.047 9.345 834 2HG2 THR 102 2HG2 THR 102 2.347 31.283 9.234 835 3HG2 THR 102 3HG2 THR 102 2.815 32.253 7.799 836 H LEU 103 H LEU 103 -1.292 29.792 8.010 837 HA LEU 103 HA LEU 103 0.573 27.587 8.249 838 1HB LEU 103 1HB LEU 103 -2.079 28.126 8.915 839 2HB LEU 103 2HB LEU 103 -2.348 26.877 7.882 840 HG LEU 103 HG LEU 103 -0.836 26.856 10.502 841 1HD1 LEU 103 1HD1 LEU 103 -3.546 27.025 10.147 842 2HD1 LEU 103 2HD1 LEU 103 -3.296 25.315 10.449 843 3HD1 LEU 103 3HD1 LEU 103 -2.678 26.527 11.579 844 1HD2 LEU 103 1HD2 LEU 103 -0.905 24.466 10.655 845 2HD2 LEU 103 2HD2 LEU 103 -1.930 24.298 9.261 846 3HD2 LEU 103 3HD2 LEU 103 -0.223 24.720 9.055 847 H MET 104 H MET 104 -1.497 28.878 5.710 848 HA MET 104 HA MET 104 -0.591 26.765 3.812 849 1HB MET 104 1HB MET 104 -3.077 27.939 4.034 850 2HB MET 104 2HB MET 104 -2.278 29.145 3.027 851 1HG MET 104 1HG MET 104 -3.074 27.818 1.354 852 2HG MET 104 2HG MET 104 -1.582 26.928 1.621 853 1HE MET 104 1HE MET 104 -2.743 25.706 4.659 854 2HE MET 104 2HE MET 104 -3.208 24.093 4.094 855 3HE MET 104 3HE MET 104 -1.658 24.784 3.591 856 H SER 105 H SER 105 0.567 29.590 4.849 857 HA SER 105 HA SER 105 1.832 30.237 2.249 858 1HB SER 105 1HB SER 105 1.027 32.161 4.072 859 2HB SER 105 2HB SER 105 2.510 31.645 4.884 860 HG SER 105 HG SER 105 2.789 33.391 3.430 861 H LEU 106 H LEU 106 2.721 29.096 5.554 862 HA LEU 106 HA LEU 106 5.124 29.164 5.583 863 1HB LEU 106 1HB LEU 106 3.405 26.832 6.341 864 2HB LEU 106 2HB LEU 106 5.104 26.918 6.698 865 HG LEU 106 HG LEU 106 2.890 28.327 8.040 866 1HD1 LEU 106 1HD1 LEU 106 4.199 26.487 8.950 867 2HD1 LEU 106 2HD1 LEU 106 5.647 27.532 8.907 868 3HD1 LEU 106 3HD1 LEU 106 4.258 27.973 9.936 869 1HD2 LEU 106 1HD2 LEU 106 4.260 30.139 8.931 870 2HD2 LEU 106 2HD2 LEU 106 5.580 29.758 7.824 871 3HD2 LEU 106 3HD2 LEU 106 4.032 30.379 7.201 872 HA PRO 107 HA PRO 107 7.001 26.981 2.247 873 1HB PRO 107 1HB PRO 107 9.596 27.577 2.525 874 2HB PRO 107 2HB PRO 107 8.395 28.867 2.168 875 1HG PRO 107 1HG PRO 107 9.583 28.099 4.863 876 2HG PRO 107 2HG PRO 107 9.389 29.739 4.186 877 1HD PRO 107 1HD PRO 107 7.608 28.428 5.926 878 2HD PRO 107 2HD PRO 107 7.199 29.828 4.895 879 H THR 108 H THR 108 7.205 26.243 5.431 880 HA THR 108 HA THR 108 8.950 23.818 5.294 881 HB THR 108 HB THR 108 7.655 23.785 7.674 882 HG1 THR 108 HG1 THR 108 6.932 25.689 8.346 883 1HG2 THR 108 1HG2 THR 108 9.291 25.294 8.677 884 2HG2 THR 108 2HG2 THR 108 10.031 24.138 7.556 885 3HG2 THR 108 3HG2 THR 108 9.771 25.840 7.056 886 H LYS 109 H LYS 109 7.108 23.962 3.282 887 HA LYS 109 HA LYS 109 4.791 22.550 4.238 888 1HB LYS 109 1HB LYS 109 5.179 23.815 1.834 889 2HB LYS 109 2HB LYS 109 5.943 22.321 1.321 890 1HG LYS 109 1HG LYS 109 3.847 21.079 1.659 891 2HG LYS 109 2HG LYS 109 3.076 22.517 2.357 892 1HD LYS 109 1HD LYS 109 3.350 23.709 0.201 893 2HD LYS 109 2HD LYS 109 4.171 22.289 -0.483 894 1HE LYS 109 1HE LYS 109 2.118 20.927 -0.128 895 2HE LYS 109 2HE LYS 109 1.292 22.343 0.549 896 1HZ LYS 109 1HZ LYS 109 2.320 22.106 -2.195 897 2HZ LYS 109 2HZ LYS 109 0.743 22.003 -1.739 898 3HZ LYS 109 3HZ LYS 109 1.555 23.425 -1.573 899 H ILE 110 H ILE 110 7.864 21.465 4.024 900 HA ILE 110 HA ILE 110 7.019 18.627 3.741 901 HB ILE 110 HB ILE 110 9.778 19.785 4.335 902 1HG1 ILE 110 1HG1 ILE 110 9.124 20.650 2.179 903 2HG1 ILE 110 2HG1 ILE 110 10.338 19.395 1.972 904 1HG2 ILE 110 1HG2 ILE 110 8.905 16.999 3.472 905 2HG2 ILE 110 2HG2 ILE 110 10.588 17.568 3.484 906 3HG2 ILE 110 3HG2 ILE 110 9.680 17.469 4.995 907 1HD1 ILE 110 1HD1 ILE 110 8.610 19.196 0.269 908 2HD1 ILE 110 2HD1 ILE 110 8.550 17.774 1.322 909 3HD1 ILE 110 3HD1 ILE 110 7.339 19.069 1.493 910 H SER 111 H SER 111 8.004 20.897 6.238 911 HA SER 111 HA SER 111 7.934 18.823 8.302 912 1HB SER 111 1HB SER 111 8.348 21.818 8.517 913 2HB SER 111 2HB SER 111 8.462 20.669 9.852 914 HG SER 111 HG SER 111 10.008 20.561 7.467 915 H ARG 112 H ARG 112 6.139 21.675 7.358 916 HA ARG 112 HA ARG 112 4.050 21.412 9.302 917 1HB ARG 112 1HB ARG 112 4.705 23.568 8.457 918 2HB ARG 112 2HB ARG 112 4.323 23.104 6.800 919 1HG ARG 112 1HG ARG 112 2.083 23.047 8.790 920 2HG ARG 112 2HG ARG 112 2.698 24.609 8.253 921 1HD ARG 112 1HD ARG 112 1.714 22.442 6.348 922 2HD ARG 112 2HD ARG 112 0.811 23.868 6.877 923 HE ARG 112 HE ARG 112 3.276 24.768 5.837 924 1HH1 ARG 112 1HH1 ARG 112 0.327 23.205 4.708 925 2HH1 ARG 112 2HH1 ARG 112 0.352 23.949 3.132 926 1HH2 ARG 112 1HH2 ARG 112 3.329 25.786 3.737 927 2HH2 ARG 112 2HH2 ARG 112 2.035 25.495 2.616 928 H CYS 113 H CYS 113 4.487 19.907 6.194 929 HA CYS 113 HA CYS 113 1.791 19.552 5.464 930 1HB CYS 113 1HB CYS 113 3.139 18.892 3.795 931 2HB CYS 113 2HB CYS 113 4.262 17.968 4.834 932 HG CYS 113 HG CYS 113 1.155 17.329 3.942 933 HA PRO 114 HA PRO 114 1.196 15.546 7.940 934 1HB PRO 114 1HB PRO 114 3.071 14.765 9.834 935 2HB PRO 114 2HB PRO 114 3.124 14.223 8.131 936 1HG PRO 114 1HG PRO 114 4.620 16.550 9.370 937 2HG PRO 114 2HG PRO 114 5.287 15.247 8.344 938 1HD PRO 114 1HD PRO 114 4.662 17.624 7.273 939 2HD PRO 114 2HD PRO 114 4.215 16.132 6.400 940 H HIS 115 H HIS 115 2.669 18.295 9.513 941 HA HIS 115 HA HIS 115 1.087 17.833 11.834 942 1HB HIS 115 1HB HIS 115 3.171 19.356 11.570 943 2HB HIS 115 2HB HIS 115 2.004 20.612 11.167 944 HD1 HIS 115 HD1 HIS 115 1.494 17.846 13.812 945 HD2 HIS 115 HD2 HIS 115 2.207 21.970 13.617 946 HE1 HIS 115 HE1 HIS 115 1.268 18.762 16.165 947 H LEU 116 H LEU 116 0.521 20.064 8.972 948 HA LEU 116 HA LEU 116 -1.804 20.803 9.864 949 1HB LEU 116 1HB LEU 116 -0.640 21.614 7.691 950 2HB LEU 116 2HB LEU 116 -1.452 20.290 6.855 951 HG LEU 116 HG LEU 116 -2.461 22.870 7.874 952 1HD1 LEU 116 1HD1 LEU 116 -2.682 21.967 5.324 953 2HD1 LEU 116 2HD1 LEU 116 -3.834 20.798 5.984 954 3HD1 LEU 116 3HD1 LEU 116 -4.220 22.506 6.026 955 1HD2 LEU 116 1HD2 LEU 116 -3.597 21.671 9.436 956 2HD2 LEU 116 2HD2 LEU 116 -4.585 22.525 8.304 957 3HD2 LEU 116 3HD2 LEU 116 -4.458 20.761 8.144 958 H LEU 117 H LEU 117 -1.112 18.001 7.838 959 HA LEU 117 HA LEU 117 -3.759 16.884 7.565 960 1HB LEU 117 1HB LEU 117 -1.056 15.491 7.789 961 2HB LEU 117 2HB LEU 117 -2.577 14.657 7.628 962 HG LEU 117 HG LEU 117 -2.703 16.276 5.312 963 1HD1 LEU 117 1HD1 LEU 117 -0.537 15.862 4.244 964 2HD1 LEU 117 2HD1 LEU 117 -0.606 17.204 5.383 965 3HD1 LEU 117 3HD1 LEU 117 0.178 15.659 5.857 966 1HD2 LEU 117 1HD2 LEU 117 -1.364 13.624 5.383 967 2HD2 LEU 117 2HD2 LEU 117 -3.116 13.797 5.721 968 3HD2 LEU 117 3HD2 LEU 117 -2.475 14.390 4.210 969 H ASP 118 H ASP 118 -1.436 16.512 10.232 970 HA ASP 118 HA ASP 118 -3.337 15.051 11.851 971 1HB ASP 118 1HB ASP 118 -0.819 16.725 12.401 972 2HB ASP 118 2HB ASP 118 -1.670 15.974 13.713 973 H PHE 119 H PHE 119 -3.530 18.262 10.958 974 HA PHE 119 HA PHE 119 -4.623 19.396 13.456 975 1HB PHE 119 1HB PHE 119 -3.246 20.407 11.263 976 2HB PHE 119 2HB PHE 119 -4.902 20.699 10.727 977 HD1 PHE 119 HD1 PHE 119 -2.284 22.757 11.096 978 HD2 PHE 119 HD2 PHE 119 -5.720 21.624 13.445 979 HE1 PHE 119 HE1 PHE 119 -2.168 24.771 12.377 980 HE2 PHE 119 HE2 PHE 119 -5.592 23.771 14.731 981 HZ PHE 119 HZ PHE 119 -3.745 25.358 14.156 982 H PHE 120 H PHE 120 -5.413 18.310 10.288 983 HA PHE 120 HA PHE 120 -8.345 18.667 10.572 984 1HB PHE 120 1HB PHE 120 -6.320 17.887 8.362 985 2HB PHE 120 2HB PHE 120 -8.057 18.032 8.104 986 HD1 PHE 120 HD1 PHE 120 -6.576 19.458 6.327 987 HD2 PHE 120 HD2 PHE 120 -7.491 20.680 10.345 988 HE1 PHE 120 HE1 PHE 120 -6.509 21.815 5.621 989 HE2 PHE 120 HE2 PHE 120 -7.420 23.033 9.649 990 HZ PHE 120 HZ PHE 120 -6.951 23.618 7.310 991 H LYS 121 H LYS 121 -6.194 15.934 9.788 992 HA LYS 121 HA LYS 121 -8.292 14.081 9.528 993 1HB LYS 121 1HB LYS 121 -6.754 12.363 9.389 994 2HB LYS 121 2HB LYS 121 -5.928 13.786 8.734 995 1HG LYS 121 1HG LYS 121 -5.121 14.111 11.162 996 2HG LYS 121 2HG LYS 121 -5.561 12.419 11.429 997 1HD LYS 121 1HD LYS 121 -3.590 13.489 9.348 998 2HD LYS 121 2HD LYS 121 -3.171 12.821 10.929 999 1HE LYS 121 1HE LYS 121 -4.063 10.633 10.299 1000 2HE LYS 121 2HE LYS 121 -4.486 11.248 8.686 1001 1HZ LYS 121 1HZ LYS 121 -2.315 10.095 8.826 1002 2HZ LYS 121 2HZ LYS 121 -2.224 11.575 8.201 1003 3HZ LYS 121 3HZ LYS 121 -1.746 11.331 9.769 1004 H VAL 122 H VAL 122 -6.685 15.375 12.305 1005 HA VAL 122 HA VAL 122 -7.883 13.474 14.178 1006 HB VAL 122 HB VAL 122 -6.166 15.902 14.756 1007 1HG1 VAL 122 1HG1 VAL 122 -6.849 13.420 16.403 1008 2HG1 VAL 122 2HG1 VAL 122 -5.714 14.702 16.872 1009 3HG1 VAL 122 3HG1 VAL 122 -7.439 15.068 16.718 1010 1HG2 VAL 122 1HG2 VAL 122 -4.957 14.412 13.290 1011 2HG2 VAL 122 2HG2 VAL 122 -4.374 14.065 14.911 1012 3HG2 VAL 122 3HG2 VAL 122 -5.549 12.974 14.124 1013 H ARG 123 H ARG 123 -8.108 17.038 13.577 1014 HA ARG 123 HA ARG 123 -9.801 18.533 14.345 1015 1HB ARG 123 1HB ARG 123 -11.989 17.937 13.503 1016 2HB ARG 123 2HB ARG 123 -10.669 17.938 12.337 1017 1HG ARG 123 1HG ARG 123 -10.569 15.405 12.475 1018 2HG ARG 123 2HG ARG 123 -11.972 15.453 13.544 1019 1HD ARG 123 1HD ARG 123 -13.143 16.719 11.638 1020 2HD ARG 123 2HD ARG 123 -11.748 16.329 10.631 1021 HE ARG 123 HE ARG 123 -13.869 14.573 11.633 1022 1HH1 ARG 123 1HH1 ARG 123 -10.570 14.657 10.353 1023 2HH1 ARG 123 2HH1 ARG 123 -10.575 12.999 9.815 1024 1HH2 ARG 123 1HH2 ARG 123 -13.927 12.429 10.870 1025 2HH2 ARG 123 2HH2 ARG 123 -12.546 11.709 10.080 1026 HA PRO 124 HA PRO 124 -10.999 16.549 18.187 1027 1HB PRO 124 1HB PRO 124 -9.514 17.955 20.045 1028 2HB PRO 124 2HB PRO 124 -8.755 16.700 19.028 1029 1HG PRO 124 1HG PRO 124 -8.866 19.681 18.473 1030 2HG PRO 124 2HG PRO 124 -7.407 18.650 18.525 1031 1HD PRO 124 1HD PRO 124 -8.704 19.246 16.193 1032 2HD PRO 124 2HD PRO 124 -7.959 17.641 16.451 1033 H ASP 125 H ASP 125 -12.327 18.379 16.600 1034 HA ASP 125 HA ASP 125 -14.130 19.207 18.627 1035 1HB ASP 125 1HB ASP 125 -12.474 21.186 18.358 1036 2HB ASP 125 2HB ASP 125 -13.193 21.452 16.777 1037 H ASP 126 H ASP 126 -13.646 17.623 15.948 1038 HA ASP 126 HA ASP 126 -16.308 18.158 14.758 1039 1HB ASP 126 1HB ASP 126 -14.528 17.972 13.075 1040 2HB ASP 126 2HB ASP 126 -13.822 16.612 13.950 1041 H LEU 127 H LEU 127 -14.140 15.487 15.971 1042 HA LEU 127 HA LEU 127 -16.501 14.165 17.137 1043 1HB LEU 127 1HB LEU 127 -14.619 13.178 14.909 1044 2HB LEU 127 2HB LEU 127 -15.336 11.955 15.871 1045 HG LEU 127 HG LEU 127 -17.238 13.849 14.277 1046 1HD1 LEU 127 1HD1 LEU 127 -15.870 12.335 12.869 1047 2HD1 LEU 127 2HD1 LEU 127 -16.400 10.960 13.872 1048 3HD1 LEU 127 3HD1 LEU 127 -17.591 11.897 12.940 1049 1HD2 LEU 127 1HD2 LEU 127 -18.253 12.977 16.364 1050 2HD2 LEU 127 2HD2 LEU 127 -18.881 12.167 14.930 1051 3HD2 LEU 127 3HD2 LEU 127 -17.698 11.339 15.953 1052 H LYS 128 H LYS 128 -14.011 15.559 18.020 1053 HA LYS 128 HA LYS 128 -13.329 13.673 20.081 1054 1HB LYS 128 1HB LYS 128 -11.417 14.589 17.840 1055 2HB LYS 128 2HB LYS 128 -10.725 14.456 19.445 1056 1HG LYS 128 1HG LYS 128 -10.371 12.291 18.988 1057 2HG LYS 128 2HG LYS 128 -12.112 12.016 19.079 1058 1HD LYS 128 1HD LYS 128 -12.227 12.695 16.605 1059 2HD LYS 128 2HD LYS 128 -10.455 12.736 16.615 1060 1HE LYS 128 1HE LYS 128 -10.411 10.336 17.279 1061 2HE LYS 128 2HE LYS 128 -12.187 10.308 17.281 1062 1HZ LYS 128 1HZ LYS 128 -12.136 10.843 14.952 1063 2HZ LYS 128 2HZ LYS 128 -10.488 10.853 14.944 1064 3HZ LYS 128 3HZ LYS 128 -11.303 9.453 15.248 1065 H LEU 129 H LEU 129 -14.889 15.751 19.915 1066 HA LEU 129 HA LEU 129 -14.122 18.303 20.540 1067 1HB LEU 129 1HB LEU 129 -16.460 16.556 21.458 1068 2HB LEU 129 2HB LEU 129 -16.538 18.269 21.652 1069 HG LEU 129 HG LEU 129 -16.224 17.277 18.713 1070 1HD1 LEU 129 1HD1 LEU 129 -18.615 16.919 18.687 1071 2HD1 LEU 129 2HD1 LEU 129 -17.819 15.754 19.770 1072 3HD1 LEU 129 3HD1 LEU 129 -18.702 17.144 20.455 1073 1HD2 LEU 129 1HD2 LEU 129 -17.891 19.459 20.037 1074 2HD2 LEU 129 2HD2 LEU 129 -16.330 19.716 19.236 1075 3HD2 LEU 129 3HD2 LEU 129 -17.716 19.111 18.312 1076 HA PRO 130 HA PRO 130 -12.757 18.376 24.663 1077 1HB PRO 130 1HB PRO 130 -14.529 20.514 25.628 1078 2HB PRO 130 2HB PRO 130 -12.781 20.578 25.312 1079 1HG PRO 130 1HG PRO 130 -14.585 21.889 23.689 1080 2HG PRO 130 2HG PRO 130 -13.117 21.098 23.022 1081 1HD PRO 130 1HD PRO 130 -15.894 19.951 23.231 1082 2HD PRO 130 2HD PRO 130 -14.878 20.097 21.774 Start of MODEL 17 1 1H GLY 1 1H GLY 1 2.324 1.386 -4.136 2 2H GLY 1 2H GLY 1 3.280 2.031 -2.972 3 3H GLY 1 3H GLY 1 3.684 0.574 -3.648 4 1HA GLY 1 1HA GLY 1 1.750 -0.461 -2.717 5 2HA GLY 1 2HA GLY 1 2.730 0.307 -1.446 6 H SER 2 H SER 2 0.667 0.361 -0.189 7 HA SER 2 HA SER 2 -1.528 2.000 -1.117 8 1HB SER 2 1HB SER 2 -1.711 0.078 0.521 9 2HB SER 2 2HB SER 2 -0.911 1.108 1.726 10 HG SER 2 HG SER 2 -3.391 1.528 0.408 11 H MET 3 H MET 3 -2.280 3.799 0.504 12 HA MET 3 HA MET 3 -0.174 5.467 1.631 13 1HB MET 3 1HB MET 3 0.050 5.984 -0.757 14 2HB MET 3 2HB MET 3 -1.670 6.346 -0.880 15 1HG MET 3 1HG MET 3 -0.110 8.322 -0.765 16 2HG MET 3 2HG MET 3 -1.445 8.347 0.368 17 1HE MET 3 1HE MET 3 2.950 7.525 1.552 18 2HE MET 3 2HE MET 3 1.975 6.325 0.680 19 3HE MET 3 3HE MET 3 2.407 7.863 -0.106 20 H GLY 4 H GLY 4 -1.774 4.577 3.317 21 1HA GLY 4 1HA GLY 4 -4.424 5.815 3.448 22 2HA GLY 4 2HA GLY 4 -3.629 4.806 4.676 23 H ASP 5 H ASP 5 -3.089 7.947 3.078 24 HA ASP 5 HA ASP 5 -3.450 9.402 5.483 25 1HB ASP 5 1HB ASP 5 -0.964 8.462 5.784 26 2HB ASP 5 2HB ASP 5 -0.526 9.327 4.331 27 H THR 6 H THR 6 -1.814 9.371 2.335 28 HA THR 6 HA THR 6 -1.579 10.760 0.623 29 HB THR 6 HB THR 6 -3.822 9.775 0.328 30 HG1 THR 6 HG1 THR 6 -4.153 11.115 -1.428 31 1HG2 THR 6 1HG2 THR 6 -4.574 12.522 1.431 32 2HG2 THR 6 2HG2 THR 6 -5.632 11.524 0.425 33 3HG2 THR 6 3HG2 THR 6 -5.040 10.918 2.007 34 H PHE 7 H PHE 7 -3.027 13.151 -0.019 35 HA PHE 7 HA PHE 7 -1.720 15.068 1.851 36 1HB PHE 7 1HB PHE 7 -1.223 14.986 -1.095 37 2HB PHE 7 2HB PHE 7 -0.370 15.902 0.107 38 HD1 PHE 7 HD1 PHE 7 -0.622 12.448 -1.492 39 HD2 PHE 7 HD2 PHE 7 0.964 14.415 2.079 40 HE1 PHE 7 HE1 PHE 7 0.835 10.595 -1.062 41 HE2 PHE 7 HE2 PHE 7 2.385 12.520 2.443 42 HZ PHE 7 HZ PHE 7 2.366 10.588 0.892 43 H ILE 8 H ILE 8 -2.023 17.375 1.154 44 HA ILE 8 HA ILE 8 -4.881 17.643 0.564 45 HB ILE 8 HB ILE 8 -3.105 19.067 2.561 46 1HG1 ILE 8 1HG1 ILE 8 -5.559 17.244 2.557 47 2HG1 ILE 8 2HG1 ILE 8 -3.960 16.919 3.253 48 1HG2 ILE 8 1HG2 ILE 8 -4.432 20.850 1.593 49 2HG2 ILE 8 2HG2 ILE 8 -5.931 19.912 1.870 50 3HG2 ILE 8 3HG2 ILE 8 -4.935 20.501 3.216 51 1HD1 ILE 8 1HD1 ILE 8 -5.479 17.409 5.021 52 2HD1 ILE 8 2HD1 ILE 8 -4.436 18.844 4.836 53 3HD1 ILE 8 3HD1 ILE 8 -6.099 18.829 4.157 54 H ARG 9 H ARG 9 -5.781 19.593 -0.155 55 HA ARG 9 HA ARG 9 -4.181 20.735 -2.378 56 1HB ARG 9 1HB ARG 9 -6.624 19.592 -2.631 57 2HB ARG 9 2HB ARG 9 -7.247 21.039 -1.892 58 1HG ARG 9 1HG ARG 9 -5.579 20.927 -4.444 59 2HG ARG 9 2HG ARG 9 -7.339 21.083 -4.326 60 1HD ARG 9 1HD ARG 9 -6.974 23.216 -3.000 61 2HD ARG 9 2HD ARG 9 -5.254 23.121 -3.461 62 HE ARG 9 HE ARG 9 -6.697 22.875 -5.828 63 1HH1 ARG 9 1HH1 ARG 9 -6.264 25.311 -3.291 64 2HH1 ARG 9 2HH1 ARG 9 -6.576 26.664 -4.339 65 1HH2 ARG 9 1HH2 ARG 9 -7.123 24.657 -7.215 66 2HH2 ARG 9 2HH2 ARG 9 -7.065 26.283 -6.602 67 H HIS 10 H HIS 10 -6.632 21.761 0.050 68 HA HIS 10 HA HIS 10 -4.957 23.678 1.240 69 1HB HIS 10 1HB HIS 10 -5.501 25.686 0.085 70 2HB HIS 10 2HB HIS 10 -5.577 24.639 -1.278 71 HD1 HIS 10 HD1 HIS 10 -8.362 23.354 -0.969 72 HD2 HIS 10 HD2 HIS 10 -7.582 27.427 -0.413 73 HE1 HIS 10 HE1 HIS 10 -10.557 24.613 -1.324 74 H ILE 11 H ILE 11 -6.238 25.582 2.312 75 HA ILE 11 HA ILE 11 -8.496 24.407 3.728 76 HB ILE 11 HB ILE 11 -7.026 26.797 4.765 77 1HG1 ILE 11 1HG1 ILE 11 -6.060 23.947 5.166 78 2HG1 ILE 11 2HG1 ILE 11 -5.241 25.193 4.236 79 1HG2 ILE 11 1HG2 ILE 11 -8.496 24.439 6.043 80 2HG2 ILE 11 2HG2 ILE 11 -7.799 25.808 6.935 81 3HG2 ILE 11 3HG2 ILE 11 -9.136 26.070 5.833 82 1HD1 ILE 11 1HD1 ILE 11 -5.679 25.392 7.229 83 2HD1 ILE 11 2HD1 ILE 11 -4.184 25.000 6.382 84 3HD1 ILE 11 3HD1 ILE 11 -4.922 26.601 6.175 85 H ALA 12 H ALA 12 -10.435 25.753 4.080 86 HA ALA 12 HA ALA 12 -10.544 28.402 2.836 87 1HB ALA 12 1HB ALA 12 -11.419 26.957 1.074 88 2HB ALA 12 2HB ALA 12 -12.456 26.100 2.248 89 3HB ALA 12 3HB ALA 12 -12.751 27.815 1.882 90 H LEU 13 H LEU 13 -11.391 29.542 4.684 91 HA LEU 13 HA LEU 13 -12.432 27.879 6.774 92 1HB LEU 13 1HB LEU 13 -10.755 29.651 7.069 93 2HB LEU 13 2HB LEU 13 -12.011 30.861 6.871 94 HG LEU 13 HG LEU 13 -11.433 28.838 9.184 95 1HD1 LEU 13 1HD1 LEU 13 -9.901 30.396 9.457 96 2HD1 LEU 13 2HD1 LEU 13 -10.862 31.693 8.705 97 3HD1 LEU 13 3HD1 LEU 13 -11.266 31.156 10.322 98 1HD2 LEU 13 1HD2 LEU 13 -13.834 29.217 9.259 99 2HD2 LEU 13 2HD2 LEU 13 -12.904 29.794 10.630 100 3HD2 LEU 13 3HD2 LEU 13 -13.482 30.979 9.446 101 H LEU 14 H LEU 14 -14.655 28.050 7.535 102 HA LEU 14 HA LEU 14 -16.443 29.379 5.524 103 1HB LEU 14 1HB LEU 14 -16.697 26.865 6.984 104 2HB LEU 14 2HB LEU 14 -17.738 27.917 7.833 105 HG LEU 14 HG LEU 14 -18.822 28.623 5.635 106 1HD1 LEU 14 1HD1 LEU 14 -17.239 28.026 3.910 107 2HD1 LEU 14 2HD1 LEU 14 -17.035 26.414 4.563 108 3HD1 LEU 14 3HD1 LEU 14 -18.540 26.848 3.751 109 1HD2 LEU 14 1HD2 LEU 14 -18.970 25.712 6.493 110 2HD2 LEU 14 2HD2 LEU 14 -19.893 27.072 7.149 111 3HD2 LEU 14 3HD2 LEU 14 -20.168 26.546 5.480 112 H GLY 15 H GLY 15 -15.943 29.117 9.000 113 1HA GLY 15 1HA GLY 15 -15.719 31.816 9.522 114 2HA GLY 15 2HA GLY 15 -17.450 31.730 9.249 115 H PHE 16 H PHE 16 -18.749 31.383 10.885 116 HA PHE 16 HA PHE 16 -17.549 31.172 13.525 117 1HB PHE 16 1HB PHE 16 -20.436 31.521 12.739 118 2HB PHE 16 2HB PHE 16 -19.751 31.839 14.295 119 HD1 PHE 16 HD1 PHE 16 -20.531 33.492 11.049 120 HD2 PHE 16 HD2 PHE 16 -17.673 33.758 14.354 121 HE1 PHE 16 HE1 PHE 16 -19.947 35.722 10.423 122 HE2 PHE 16 HE2 PHE 16 -17.144 35.986 13.660 123 HZ PHE 16 HZ PHE 16 -18.257 37.016 11.697 124 H GLU 17 H GLU 17 -19.158 29.994 15.156 125 HA GLU 17 HA GLU 17 -20.502 27.628 14.449 126 1HB GLU 17 1HB GLU 17 -17.752 27.243 14.306 127 2HB GLU 17 2HB GLU 17 -18.098 26.852 15.979 128 1HG GLU 17 1HG GLU 17 -19.597 25.620 13.629 129 2HG GLU 17 2HG GLU 17 -18.099 24.958 14.288 130 H LYS 18 H LYS 18 -21.009 26.423 16.620 131 HA LYS 18 HA LYS 18 -21.016 28.224 18.924 132 1HB LYS 18 1HB LYS 18 -23.491 26.732 18.081 133 2HB LYS 18 2HB LYS 18 -23.264 28.036 19.251 134 1HG LYS 18 1HG LYS 18 -24.247 29.178 17.561 135 2HG LYS 18 2HG LYS 18 -22.558 29.422 17.095 136 1HD LYS 18 1HD LYS 18 -22.844 27.342 15.569 137 2HD LYS 18 2HD LYS 18 -24.552 27.371 15.984 138 1HE LYS 18 1HE LYS 18 -22.999 29.643 14.645 139 2HE LYS 18 2HE LYS 18 -24.025 28.467 13.807 140 1HZ LYS 18 1HZ LYS 18 -25.892 29.275 15.063 141 2HZ LYS 18 2HZ LYS 18 -24.949 30.392 15.825 142 3HZ LYS 18 3HZ LYS 18 -25.193 30.491 14.200 143 H ARG 19 H ARG 19 -19.593 26.888 20.231 144 HA ARG 19 HA ARG 19 -20.634 24.232 21.040 145 1HB ARG 19 1HB ARG 19 -17.964 25.022 20.165 146 2HB ARG 19 2HB ARG 19 -17.927 24.642 21.886 147 1HG ARG 19 1HG ARG 19 -17.489 22.604 20.813 148 2HG ARG 19 2HG ARG 19 -19.164 22.482 21.356 149 1HD ARG 19 1HD ARG 19 -19.861 23.185 19.002 150 2HD ARG 19 2HD ARG 19 -18.143 23.141 18.554 151 HE ARG 19 HE ARG 19 -18.721 20.653 19.704 152 1HH1 ARG 19 1HH1 ARG 19 -19.553 22.523 16.808 153 2HH1 ARG 19 2HH1 ARG 19 -20.055 21.133 15.888 154 1HH2 ARG 19 1HH2 ARG 19 -19.356 18.804 18.465 155 2HH2 ARG 19 2HH2 ARG 19 -19.854 18.999 16.808 156 H PHE 20 H PHE 20 -21.949 24.727 22.726 157 HA PHE 20 HA PHE 20 -21.280 26.938 24.392 158 1HB PHE 20 1HB PHE 20 -23.410 24.728 24.808 159 2HB PHE 20 2HB PHE 20 -23.748 26.349 25.214 160 HD1 PHE 20 HD1 PHE 20 -23.981 23.741 22.405 161 HD2 PHE 20 HD2 PHE 20 -24.114 28.095 22.986 162 HE1 PHE 20 HE1 PHE 20 -25.010 24.043 20.308 163 HE2 PHE 20 HE2 PHE 20 -25.153 28.292 20.862 164 HZ PHE 20 HZ PHE 20 -25.632 26.290 19.471 165 H VAL 21 H VAL 21 -20.599 23.603 24.308 166 HA VAL 21 HA VAL 21 -20.151 23.502 27.135 167 HB VAL 21 HB VAL 21 -20.831 20.814 26.310 168 1HG1 VAL 21 1HG1 VAL 21 -23.072 21.331 27.203 169 2HG1 VAL 21 2HG1 VAL 21 -21.865 22.177 28.210 170 3HG1 VAL 21 3HG1 VAL 21 -22.787 23.073 26.980 171 1HG2 VAL 21 1HG2 VAL 21 -21.086 21.522 24.098 172 2HG2 VAL 21 2HG2 VAL 21 -22.458 20.693 24.885 173 3HG2 VAL 21 3HG2 VAL 21 -22.543 22.453 24.611 174 HA PRO 22 HA PRO 22 -19.268 21.299 28.205 175 1HB PRO 22 1HB PRO 22 -17.048 20.718 29.656 176 2HB PRO 22 2HB PRO 22 -17.665 19.654 28.360 177 1HG PRO 22 1HG PRO 22 -15.464 21.715 28.162 178 2HG PRO 22 2HG PRO 22 -15.437 20.020 27.591 179 1HD PRO 22 1HD PRO 22 -16.030 22.188 26.006 180 2HD PRO 22 2HD PRO 22 -16.756 20.580 25.683 181 H SER 23 H SER 23 -17.533 23.963 27.276 182 HA SER 23 HA SER 23 -18.261 25.511 29.631 183 1HB SER 23 1HB SER 23 -15.684 24.948 29.749 184 2HB SER 23 2HB SER 23 -15.485 25.684 28.175 185 HG SER 23 HG SER 23 -16.015 27.656 29.026 186 H GLN 24 H GLN 24 -18.276 27.956 29.036 187 HA GLN 24 HA GLN 24 -19.783 28.135 26.632 188 1HB GLN 24 1HB GLN 24 -18.824 30.409 28.318 189 2HB GLN 24 2HB GLN 24 -20.222 30.281 27.274 190 1HG GLN 24 1HG GLN 24 -20.013 28.768 30.049 191 2HG GLN 24 2HG GLN 24 -21.196 29.972 29.673 192 1HE2 GLN 24 1HE2 GLN 24 -20.457 26.706 29.659 193 2HE2 GLN 24 2HE2 GLN 24 -21.704 26.149 28.555 194 H HIS 25 H HIS 25 -18.615 28.355 24.548 195 HA HIS 25 HA HIS 25 -16.881 30.569 24.297 196 1HB HIS 25 1HB HIS 25 -15.118 28.665 23.394 197 2HB HIS 25 2HB HIS 25 -15.012 29.249 25.079 198 HD1 HIS 25 HD1 HIS 25 -17.252 26.644 23.319 199 HD2 HIS 25 HD2 HIS 25 -14.212 26.801 26.197 200 HE1 HIS 25 HE1 HIS 25 -16.945 24.328 24.162 201 H TYR 26 H TYR 26 -17.698 31.236 22.106 202 HA TYR 26 HA TYR 26 -18.536 29.059 20.402 203 1HB TYR 26 1HB TYR 26 -18.217 32.033 19.961 204 2HB TYR 26 2HB TYR 26 -18.329 30.999 18.588 205 HD1 TYR 26 HD1 TYR 26 -20.423 29.832 21.557 206 HD2 TYR 26 HD2 TYR 26 -20.624 32.229 17.889 207 HE1 TYR 26 HE1 TYR 26 -22.789 29.816 21.628 208 HE2 TYR 26 HE2 TYR 26 -22.999 32.165 18.042 209 HH TYR 26 HH TYR 26 -24.849 31.550 19.291 210 H VAL 27 H VAL 27 -17.633 28.467 18.342 211 HA VAL 27 HA VAL 27 -14.650 28.719 18.181 212 HB VAL 27 HB VAL 27 -14.476 26.379 17.815 213 1HG1 VAL 27 1HG1 VAL 27 -15.017 25.485 19.975 214 2HG1 VAL 27 2HG1 VAL 27 -14.567 27.189 20.187 215 3HG1 VAL 27 3HG1 VAL 27 -16.272 26.698 20.233 216 1HG2 VAL 27 1HG2 VAL 27 -16.391 25.737 16.607 217 2HG2 VAL 27 2HG2 VAL 27 -16.320 24.779 18.078 218 3HG2 VAL 27 3HG2 VAL 27 -17.472 26.123 17.989 219 H TYR 28 H TYR 28 -13.986 27.795 15.771 220 HA TYR 28 HA TYR 28 -15.839 29.130 14.025 221 1HB TYR 28 1HB TYR 28 -13.451 29.137 12.676 222 2HB TYR 28 2HB TYR 28 -14.275 30.451 13.534 223 HD1 TYR 28 HD1 TYR 28 -11.889 27.710 14.477 224 HD2 TYR 28 HD2 TYR 28 -12.958 31.868 14.676 225 HE1 TYR 28 HE1 TYR 28 -10.003 28.133 15.890 226 HE2 TYR 28 HE2 TYR 28 -11.022 32.327 16.106 227 HH TYR 28 HH TYR 28 -9.160 31.418 17.143 228 H MET 29 H MET 29 -16.593 28.212 12.219 229 HA MET 29 HA MET 29 -16.148 25.379 11.958 230 1HB MET 29 1HB MET 29 -18.310 26.321 11.764 231 2HB MET 29 2HB MET 29 -17.876 27.303 10.332 232 1HG MET 29 1HG MET 29 -19.193 25.390 9.702 233 2HG MET 29 2HG MET 29 -17.553 25.207 9.090 234 1HE MET 29 1HE MET 29 -16.259 23.327 9.368 235 2HE MET 29 2HE MET 29 -16.965 21.765 9.859 236 3HE MET 29 3HE MET 29 -17.787 22.798 8.636 237 H PHE 30 H PHE 30 -14.438 24.455 10.623 238 HA PHE 30 HA PHE 30 -13.360 26.142 8.546 239 1HB PHE 30 1HB PHE 30 -12.192 23.990 10.356 240 2HB PHE 30 2HB PHE 30 -11.520 24.199 8.786 241 HD1 PHE 30 HD1 PHE 30 -12.545 27.056 11.527 242 HD2 PHE 30 HD2 PHE 30 -9.397 25.501 8.827 243 HE1 PHE 30 HE1 PHE 30 -11.126 28.732 12.071 244 HE2 PHE 30 HE2 PHE 30 -8.038 27.267 9.467 245 HZ PHE 30 HZ PHE 30 -8.802 28.919 11.066 246 H LEU 31 H LEU 31 -13.061 25.455 6.309 247 HA LEU 31 HA LEU 31 -14.094 22.811 5.790 248 1HB LEU 31 1HB LEU 31 -14.442 25.458 4.506 249 2HB LEU 31 2HB LEU 31 -14.043 24.169 3.376 250 HG LEU 31 HG LEU 31 -16.449 24.559 3.665 251 1HD1 LEU 31 1HD1 LEU 31 -15.533 21.822 4.540 252 2HD1 LEU 31 2HD1 LEU 31 -17.090 22.260 3.792 253 3HD1 LEU 31 3HD1 LEU 31 -15.570 22.459 2.882 254 1HD2 LEU 31 1HD2 LEU 31 -17.649 24.128 5.672 255 2HD2 LEU 31 2HD2 LEU 31 -16.297 23.291 6.445 256 3HD2 LEU 31 3HD2 LEU 31 -16.226 25.026 6.216 257 H VAL 32 H VAL 32 -12.610 21.209 5.292 258 HA VAL 32 HA VAL 32 -10.047 22.190 4.223 259 HB VAL 32 HB VAL 32 -9.425 21.163 6.009 260 1HG1 VAL 32 1HG1 VAL 32 -10.228 19.014 6.894 261 2HG1 VAL 32 2HG1 VAL 32 -11.510 20.231 6.814 262 3HG1 VAL 32 3HG1 VAL 32 -11.435 18.939 5.587 263 1HG2 VAL 32 1HG2 VAL 32 -8.376 19.013 5.358 264 2HG2 VAL 32 2HG2 VAL 32 -9.357 18.975 3.900 265 3HG2 VAL 32 3HG2 VAL 32 -8.184 20.289 4.134 266 H LYS 33 H LYS 33 -9.418 21.606 2.125 267 HA LYS 33 HA LYS 33 -11.336 19.859 0.755 268 1HB LYS 33 1HB LYS 33 -11.538 22.084 -0.097 269 2HB LYS 33 2HB LYS 33 -9.841 22.035 -0.629 270 1HG LYS 33 1HG LYS 33 -10.260 20.279 -2.186 271 2HG LYS 33 2HG LYS 33 -11.765 19.806 -1.385 272 1HD LYS 33 1HD LYS 33 -12.879 21.861 -2.158 273 2HD LYS 33 2HD LYS 33 -11.382 22.369 -2.958 274 1HE LYS 33 1HE LYS 33 -12.897 21.379 -4.594 275 2HE LYS 33 2HE LYS 33 -11.468 20.351 -4.413 276 1HZ LYS 33 1HZ LYS 33 -13.510 19.085 -4.477 277 2HZ LYS 33 2HZ LYS 33 -12.795 18.888 -3.022 278 3HZ LYS 33 3HZ LYS 33 -14.110 19.861 -3.173 279 H TRP 34 H TRP 34 -10.575 17.813 0.433 280 HA TRP 34 HA TRP 34 -7.668 17.574 0.290 281 1HB TRP 34 1HB TRP 34 -9.835 15.477 0.442 282 2HB TRP 34 2HB TRP 34 -8.121 15.161 0.353 283 HD1 TRP 34 HD1 TRP 34 -10.550 16.832 2.808 284 HE1 TRP 34 HE1 TRP 34 -9.652 16.427 5.208 285 HE3 TRP 34 HE3 TRP 34 -6.134 14.495 1.664 286 HZ2 TRP 34 HZ2 TRP 34 -7.347 15.237 6.440 287 HZ3 TRP 34 HZ3 TRP 34 -4.615 13.758 3.466 288 HH2 TRP 34 HH2 TRP 34 -5.222 14.053 5.822 289 H GLN 35 H GLN 35 -6.738 16.180 -1.510 290 HA GLN 35 HA GLN 35 -8.174 16.759 -4.027 291 1HB GLN 35 1HB GLN 35 -5.754 16.045 -5.040 292 2HB GLN 35 2HB GLN 35 -5.708 17.489 -4.057 293 1HG GLN 35 1HG GLN 35 -3.869 16.120 -3.581 294 2HG GLN 35 2HG GLN 35 -4.871 16.235 -2.144 295 1HE2 GLN 35 1HE2 GLN 35 -5.148 14.240 -1.105 296 2HE2 GLN 35 2HE2 GLN 35 -5.149 12.692 -1.962 297 H ASP 36 H ASP 36 -8.045 14.275 -1.874 298 HA ASP 36 HA ASP 36 -8.908 12.352 -3.916 299 1HB ASP 36 1HB ASP 36 -7.323 12.049 -1.258 300 2HB ASP 36 2HB ASP 36 -8.290 10.699 -1.812 301 H LEU 37 H LEU 37 -9.256 13.034 -0.420 302 HA LEU 37 HA LEU 37 -11.858 11.839 -0.226 303 1HB LEU 37 1HB LEU 37 -10.445 13.716 1.584 304 2HB LEU 37 2HB LEU 37 -11.988 12.944 1.895 305 HG LEU 37 HG LEU 37 -10.796 10.598 1.864 306 1HD1 LEU 37 1HD1 LEU 37 -8.364 12.401 1.553 307 2HD1 LEU 37 2HD1 LEU 37 -8.325 10.720 2.134 308 3HD1 LEU 37 3HD1 LEU 37 -8.868 11.056 0.495 309 1HD2 LEU 37 1HD2 LEU 37 -11.365 11.684 3.852 310 2HD2 LEU 37 2HD2 LEU 37 -9.827 10.808 3.946 311 3HD2 LEU 37 3HD2 LEU 37 -9.824 12.597 3.827 312 H SER 38 H SER 38 -10.901 14.769 -1.627 313 HA SER 38 HA SER 38 -12.024 16.730 -2.288 314 1HB SER 38 1HB SER 38 -13.643 14.730 -3.182 315 2HB SER 38 2HB SER 38 -14.717 15.279 -1.911 316 HG SER 38 HG SER 38 -15.195 16.724 -3.434 317 H GLU 39 H GLU 39 -14.695 17.461 -1.379 318 HA GLU 39 HA GLU 39 -13.777 19.039 0.674 319 1HB GLU 39 1HB GLU 39 -16.637 19.229 1.039 320 2HB GLU 39 2HB GLU 39 -15.831 20.170 -0.174 321 1HG GLU 39 1HG GLU 39 -16.918 17.370 -0.661 322 2HG GLU 39 2HG GLU 39 -17.861 18.853 -0.831 323 H LYS 40 H LYS 40 -13.833 18.953 2.965 324 HA LYS 40 HA LYS 40 -15.331 16.832 4.302 325 1HB LYS 40 1HB LYS 40 -12.316 17.203 4.372 326 2HB LYS 40 2HB LYS 40 -13.187 16.318 5.617 327 1HG LYS 40 1HG LYS 40 -13.176 15.493 2.664 328 2HG LYS 40 2HG LYS 40 -11.993 14.998 3.852 329 1HD LYS 40 1HD LYS 40 -13.304 13.188 3.959 330 2HD LYS 40 2HD LYS 40 -13.939 14.125 5.300 331 1HE LYS 40 1HE LYS 40 -15.676 12.980 3.989 332 2HE LYS 40 2HE LYS 40 -15.925 14.724 3.948 333 1HZ LYS 40 1HZ LYS 40 -15.106 14.806 1.785 334 2HZ LYS 40 2HZ LYS 40 -14.543 13.267 1.780 335 3HZ LYS 40 3HZ LYS 40 -16.168 13.563 1.805 336 H VAL 41 H VAL 41 -15.837 17.642 6.514 337 HA VAL 41 HA VAL 41 -15.099 20.452 6.847 338 HB VAL 41 HB VAL 41 -17.146 20.912 7.538 339 1HG1 VAL 41 1HG1 VAL 41 -17.080 20.173 5.138 340 2HG1 VAL 41 2HG1 VAL 41 -17.773 18.624 5.636 341 3HG1 VAL 41 3HG1 VAL 41 -18.683 20.125 5.877 342 1HG2 VAL 41 1HG2 VAL 41 -17.620 17.998 8.210 343 2HG2 VAL 41 2HG2 VAL 41 -17.435 19.352 9.350 344 3HG2 VAL 41 3HG2 VAL 41 -18.857 19.283 8.303 345 H VAL 42 H VAL 42 -14.496 21.279 8.968 346 HA VAL 42 HA VAL 42 -14.431 19.373 11.145 347 HB VAL 42 HB VAL 42 -12.038 19.493 11.567 348 1HG1 VAL 42 1HG1 VAL 42 -12.608 17.815 9.834 349 2HG1 VAL 42 2HG1 VAL 42 -12.197 18.985 8.577 350 3HG1 VAL 42 3HG1 VAL 42 -10.953 18.415 9.701 351 1HG2 VAL 42 1HG2 VAL 42 -11.515 21.782 10.994 352 2HG2 VAL 42 2HG2 VAL 42 -10.432 20.714 10.107 353 3HG2 VAL 42 3HG2 VAL 42 -11.803 21.464 9.263 354 H TYR 43 H TYR 43 -13.680 20.461 13.205 355 HA TYR 43 HA TYR 43 -14.669 23.207 13.190 356 1HB TYR 43 1HB TYR 43 -14.459 21.239 15.443 357 2HB TYR 43 2HB TYR 43 -15.292 22.759 15.422 358 HD1 TYR 43 HD1 TYR 43 -15.407 19.325 13.396 359 HD2 TYR 43 HD2 TYR 43 -17.835 22.738 14.665 360 HE1 TYR 43 HE1 TYR 43 -17.276 18.370 12.460 361 HE2 TYR 43 HE2 TYR 43 -19.692 21.709 13.692 362 HH TYR 43 HH TYR 43 -20.534 19.919 12.476 363 H ARG 44 H ARG 44 -13.516 24.768 14.530 364 HA ARG 44 HA ARG 44 -10.850 23.880 15.502 365 1HB ARG 44 1HB ARG 44 -11.506 25.914 13.378 366 2HB ARG 44 2HB ARG 44 -10.052 26.110 14.355 367 1HG ARG 44 1HG ARG 44 -10.656 23.668 12.617 368 2HG ARG 44 2HG ARG 44 -9.739 25.082 12.128 369 1HD ARG 44 1HD ARG 44 -8.346 24.523 14.381 370 2HD ARG 44 2HD ARG 44 -8.963 22.910 14.033 371 HE ARG 44 HE ARG 44 -7.471 22.759 12.296 372 1HH1 ARG 44 1HH1 ARG 44 -7.987 26.188 12.988 373 2HH1 ARG 44 2HH1 ARG 44 -6.722 26.748 11.929 374 1HH2 ARG 44 1HH2 ARG 44 -5.724 23.496 10.965 375 2HH2 ARG 44 2HH2 ARG 44 -5.512 25.198 10.679 376 H ARG 45 H ARG 45 -10.072 25.402 17.134 377 HA ARG 45 HA ARG 45 -11.773 27.598 17.963 378 1HB ARG 45 1HB ARG 45 -12.054 26.771 20.245 379 2HB ARG 45 2HB ARG 45 -12.822 25.685 19.076 380 1HG ARG 45 1HG ARG 45 -10.977 24.101 19.232 381 2HG ARG 45 2HG ARG 45 -10.134 25.174 20.370 382 1HD ARG 45 1HD ARG 45 -11.193 23.527 21.694 383 2HD ARG 45 2HD ARG 45 -12.149 25.011 21.886 384 HE ARG 45 HE ARG 45 -13.112 23.221 19.762 385 1HH1 ARG 45 1HH1 ARG 45 -13.253 23.872 23.255 386 2HH1 ARG 45 2HH1 ARG 45 -14.667 22.893 23.513 387 1HH2 ARG 45 1HH2 ARG 45 -14.928 21.865 20.127 388 2HH2 ARG 45 2HH2 ARG 45 -15.608 21.727 21.724 389 H PHE 46 H PHE 46 -10.644 28.891 19.661 390 HA PHE 46 HA PHE 46 -8.066 29.511 19.011 391 1HB PHE 46 1HB PHE 46 -8.019 30.766 21.152 392 2HB PHE 46 2HB PHE 46 -9.434 31.050 20.158 393 HD1 PHE 46 HD1 PHE 46 -8.232 29.896 23.415 394 HD2 PHE 46 HD2 PHE 46 -11.671 30.079 20.809 395 HE1 PHE 46 HE1 PHE 46 -9.722 29.419 25.332 396 HE2 PHE 46 HE2 PHE 46 -13.145 29.601 22.731 397 HZ PHE 46 HZ PHE 46 -12.180 29.270 24.998 398 H THR 47 H THR 47 -8.892 27.701 21.966 399 HA THR 47 HA THR 47 -6.232 27.139 22.723 400 HB THR 47 HB THR 47 -8.140 26.939 24.239 401 HG1 THR 47 HG1 THR 47 -6.516 24.661 23.868 402 1HG2 THR 47 1HG2 THR 47 -9.556 24.933 24.233 403 2HG2 THR 47 2HG2 THR 47 -9.805 25.875 22.756 404 3HG2 THR 47 3HG2 THR 47 -8.829 24.387 22.711 405 H GLU 48 H GLU 48 -8.037 25.622 20.140 406 HA GLU 48 HA GLU 48 -6.335 23.253 20.055 407 1HB GLU 48 1HB GLU 48 -8.711 24.283 18.462 408 2HB GLU 48 2HB GLU 48 -7.610 23.170 17.774 409 1HG GLU 48 1HG GLU 48 -8.939 22.794 20.494 410 2HG GLU 48 2HG GLU 48 -9.648 22.195 18.981 411 H ILE 49 H ILE 49 -6.803 26.337 18.233 412 HA ILE 49 HA ILE 49 -4.670 25.771 16.371 413 HB ILE 49 HB ILE 49 -5.875 28.417 17.301 414 1HG1 ILE 49 1HG1 ILE 49 -6.199 28.542 14.742 415 2HG1 ILE 49 2HG1 ILE 49 -5.807 26.823 14.686 416 1HG2 ILE 49 1HG2 ILE 49 -3.390 28.004 15.663 417 2HG2 ILE 49 2HG2 ILE 49 -4.375 29.483 15.562 418 3HG2 ILE 49 3HG2 ILE 49 -3.618 29.033 17.081 419 1HD1 ILE 49 1HD1 ILE 49 -8.263 27.374 14.731 420 2HD1 ILE 49 2HD1 ILE 49 -7.830 26.364 16.099 421 3HD1 ILE 49 3HD1 ILE 49 -8.003 28.121 16.326 422 H TYR 50 H TYR 50 -4.764 27.208 19.627 423 HA TYR 50 HA TYR 50 -1.925 27.723 19.787 424 1HB TYR 50 1HB TYR 50 -3.834 27.061 22.071 425 2HB TYR 50 2HB TYR 50 -2.340 27.919 22.188 426 HD1 TYR 50 HD1 TYR 50 -5.018 29.119 23.270 427 HD2 TYR 50 HD2 TYR 50 -3.230 29.626 19.321 428 HE1 TYR 50 HE1 TYR 50 -6.189 31.209 22.962 429 HE2 TYR 50 HE2 TYR 50 -4.423 31.682 19.077 430 HH TYR 50 HH TYR 50 -6.536 33.045 21.602 431 H GLU 51 H GLU 51 -3.820 24.979 21.045 432 HA GLU 51 HA GLU 51 -1.526 23.678 22.034 433 1HB GLU 51 1HB GLU 51 -3.857 22.958 22.552 434 2HB GLU 51 2HB GLU 51 -3.957 22.215 20.941 435 1HG GLU 51 1HG GLU 51 -3.407 20.550 22.639 436 2HG GLU 51 2HG GLU 51 -2.023 20.742 21.558 437 H PHE 52 H PHE 52 -2.956 23.539 18.806 438 HA PHE 52 HA PHE 52 -1.201 21.634 17.601 439 1HB PHE 52 1HB PHE 52 -3.106 22.489 16.354 440 2HB PHE 52 2HB PHE 52 -2.561 24.112 16.422 441 HD1 PHE 52 HD1 PHE 52 -0.283 24.845 14.760 442 HD2 PHE 52 HD2 PHE 52 -2.106 20.873 14.760 443 HE1 PHE 52 HE1 PHE 52 0.805 24.258 12.731 444 HE2 PHE 52 HE2 PHE 52 -0.974 20.383 12.723 445 HZ PHE 52 HZ PHE 52 0.503 22.091 11.648 446 H HIS 53 H HIS 53 -1.068 25.158 17.368 447 HA HIS 53 HA HIS 53 1.393 25.238 16.203 448 1HB HIS 53 1HB HIS 53 -0.409 26.963 16.337 449 2HB HIS 53 2HB HIS 53 0.222 27.461 17.923 450 HD1 HIS 53 HD1 HIS 53 1.776 26.468 14.613 451 HD2 HIS 53 HD2 HIS 53 1.722 29.829 17.103 452 HE1 HIS 53 HE1 HIS 53 3.210 28.090 13.535 453 H LYS 54 H LYS 54 0.597 25.149 19.520 454 HA LYS 54 HA LYS 54 3.234 25.649 20.618 455 1HB LYS 54 1HB LYS 54 0.736 24.381 21.727 456 2HB LYS 54 2HB LYS 54 2.263 23.885 22.417 457 1HG LYS 54 1HG LYS 54 1.624 25.524 23.825 458 2HG LYS 54 2HG LYS 54 2.861 26.298 22.827 459 1HD LYS 54 1HD LYS 54 1.004 27.331 21.455 460 2HD LYS 54 2HD LYS 54 -0.171 26.585 22.556 461 1HE LYS 54 1HE LYS 54 1.953 28.590 23.423 462 2HE LYS 54 2HE LYS 54 0.263 28.983 23.066 463 1HZ LYS 54 1HZ LYS 54 1.166 27.154 25.180 464 2HZ LYS 54 2HZ LYS 54 0.587 28.679 25.392 465 3HZ LYS 54 3HZ LYS 54 -0.403 27.495 24.819 466 H THR 55 H THR 55 1.522 22.746 19.578 467 HA THR 55 HA THR 55 3.705 20.948 20.282 468 HB THR 55 HB THR 55 1.380 20.544 18.379 469 HG1 THR 55 HG1 THR 55 0.716 20.968 20.519 470 1HG2 THR 55 1HG2 THR 55 3.230 18.530 19.644 471 2HG2 THR 55 2HG2 THR 55 1.694 18.144 18.824 472 3HG2 THR 55 3HG2 THR 55 3.007 18.892 17.914 473 H LEU 56 H LEU 56 2.879 22.610 17.289 474 HA LEU 56 HA LEU 56 4.885 21.305 15.809 475 1HB LEU 56 1HB LEU 56 3.036 23.044 14.958 476 2HB LEU 56 2HB LEU 56 4.106 24.274 15.497 477 HG LEU 56 HG LEU 56 4.168 24.103 13.223 478 1HD1 LEU 56 1HD1 LEU 56 6.429 24.371 12.939 479 2HD1 LEU 56 2HD1 LEU 56 6.240 24.694 14.661 480 3HD1 LEU 56 3HD1 LEU 56 6.862 23.116 14.093 481 1HD2 LEU 56 1HD2 LEU 56 3.979 21.912 12.334 482 2HD2 LEU 56 2HD2 LEU 56 5.719 22.156 12.212 483 3HD2 LEU 56 3HD2 LEU 56 5.055 21.221 13.551 484 H LYS 57 H LYS 57 5.005 24.360 17.635 485 HA LYS 57 HA LYS 57 7.800 24.614 17.111 486 1HB LYS 57 1HB LYS 57 5.782 25.833 19.007 487 2HB LYS 57 2HB LYS 57 7.480 26.237 19.226 488 1HG LYS 57 1HG LYS 57 7.389 27.821 17.638 489 2HG LYS 57 2HG LYS 57 7.021 26.591 16.434 490 1HD LYS 57 1HD LYS 57 5.549 28.399 16.224 491 2HD LYS 57 2HD LYS 57 4.608 27.022 16.752 492 1HE LYS 57 1HE LYS 57 5.672 29.236 18.612 493 2HE LYS 57 2HE LYS 57 4.095 29.292 17.829 494 1HZ LYS 57 1HZ LYS 57 3.703 28.426 19.902 495 2HZ LYS 57 2HZ LYS 57 3.692 27.098 18.909 496 3HZ LYS 57 3HZ LYS 57 5.000 27.413 19.858 497 H GLU 58 H GLU 58 6.175 22.718 19.460 498 HA GLU 58 HA GLU 58 8.486 22.561 21.185 499 1HB GLU 58 1HB GLU 58 5.827 20.984 21.063 500 2HB GLU 58 2HB GLU 58 7.049 20.525 22.171 501 1HG GLU 58 1HG GLU 58 6.236 23.547 22.116 502 2HG GLU 58 2HG GLU 58 5.251 22.432 23.025 503 H MET 59 H MET 59 6.812 20.276 18.893 504 HA MET 59 HA MET 59 8.857 18.326 19.113 505 1HB MET 59 1HB MET 59 7.073 18.932 16.797 506 2HB MET 59 2HB MET 59 7.881 17.411 17.058 507 1HG MET 59 1HG MET 59 6.421 16.924 19.015 508 2HG MET 59 2HG MET 59 5.565 18.433 18.760 509 1HE MET 59 1HE MET 59 3.963 17.730 15.159 510 2HE MET 59 2HE MET 59 4.463 19.021 16.273 511 3HE MET 59 3HE MET 59 5.670 18.139 15.331 512 H PHE 60 H PHE 60 8.277 20.912 16.664 513 HA PHE 60 HA PHE 60 10.840 20.393 15.401 514 1HB PHE 60 1HB PHE 60 8.743 22.418 14.815 515 2HB PHE 60 2HB PHE 60 10.193 22.127 13.981 516 HD1 PHE 60 HD1 PHE 60 6.737 20.322 14.709 517 HD2 PHE 60 HD2 PHE 60 10.348 20.218 12.225 518 HE1 PHE 60 HE1 PHE 60 5.789 18.692 13.256 519 HE2 PHE 60 HE2 PHE 60 9.311 18.579 10.853 520 HZ PHE 60 HZ PHE 60 7.014 17.784 11.331 521 HA PRO 61 HA PRO 61 11.593 24.115 18.308 522 1HB PRO 61 1HB PRO 61 14.186 23.874 19.035 523 2HB PRO 61 2HB PRO 61 12.892 22.886 19.777 524 1HG PRO 61 1HG PRO 61 14.772 22.098 17.551 525 2HG PRO 61 2HG PRO 61 14.342 21.158 19.008 526 1HD PRO 61 1HD PRO 61 13.228 20.835 16.562 527 2HD PRO 61 2HD PRO 61 12.273 20.519 18.079 528 H ILE 62 H ILE 62 13.203 22.944 15.483 529 HA ILE 62 HA ILE 62 14.640 25.314 14.748 530 HB ILE 62 HB ILE 62 13.490 23.151 13.033 531 1HG1 ILE 62 1HG1 ILE 62 14.884 21.969 14.652 532 2HG1 ILE 62 2HG1 ILE 62 15.716 22.000 13.102 533 1HG2 ILE 62 1HG2 ILE 62 15.722 24.962 12.424 534 2HG2 ILE 62 2HG2 ILE 62 15.118 23.619 11.403 535 3HG2 ILE 62 3HG2 ILE 62 14.069 24.994 11.741 536 1HD1 ILE 62 1HD1 ILE 62 17.128 23.901 13.908 537 2HD1 ILE 62 2HD1 ILE 62 16.298 23.824 15.481 538 3HD1 ILE 62 3HD1 ILE 62 17.275 22.458 14.924 539 H GLU 63 H GLU 63 11.400 23.921 13.955 540 HA GLU 63 HA GLU 63 10.835 26.129 12.262 541 1HB GLU 63 1HB GLU 63 9.764 23.893 12.126 542 2HB GLU 63 2HB GLU 63 8.719 24.377 13.471 543 1HG GLU 63 1HG GLU 63 7.741 26.153 12.163 544 2HG GLU 63 2HG GLU 63 9.023 26.094 10.965 545 H ALA 64 H ALA 64 11.354 26.033 15.536 546 HA ALA 64 HA ALA 64 9.892 28.494 15.994 547 1HB ALA 64 1HB ALA 64 10.679 26.373 18.093 548 2HB ALA 64 2HB ALA 64 9.535 27.705 18.346 549 3HB ALA 64 3HB ALA 64 9.118 26.315 17.298 550 H GLY 65 H GLY 65 12.557 28.059 14.924 551 1HA GLY 65 1HA GLY 65 13.773 29.933 16.732 552 2HA GLY 65 2HA GLY 65 14.578 28.315 16.697 553 H ALA 66 H ALA 66 14.478 27.573 14.077 554 HA ALA 66 HA ALA 66 16.169 29.655 12.924 555 1HB ALA 66 1HB ALA 66 15.573 26.973 11.678 556 2HB ALA 66 2HB ALA 66 16.964 28.016 11.371 557 3HB ALA 66 3HB ALA 66 16.850 27.151 12.921 558 H ILE 67 H ILE 67 12.988 28.620 12.886 559 HA ILE 67 HA ILE 67 12.551 30.204 10.345 560 HB ILE 67 HB ILE 67 10.779 28.045 11.508 561 1HG1 ILE 67 1HG1 ILE 67 13.096 27.867 9.483 562 2HG1 ILE 67 2HG1 ILE 67 12.940 26.952 10.987 563 1HG2 ILE 67 1HG2 ILE 67 10.915 29.257 8.715 564 2HG2 ILE 67 2HG2 ILE 67 9.886 27.871 9.155 565 3HG2 ILE 67 3HG2 ILE 67 9.588 29.417 9.891 566 1HD1 ILE 67 1HD1 ILE 67 11.455 26.462 8.419 567 2HD1 ILE 67 2HD1 ILE 67 12.661 25.452 9.215 568 3HD1 ILE 67 3HD1 ILE 67 11.077 25.654 9.973 569 H ASN 68 H ASN 68 12.538 30.623 13.453 570 HA ASN 68 HA ASN 68 9.919 31.951 13.536 571 1HB ASN 68 1HB ASN 68 11.428 30.718 15.526 572 2HB ASN 68 2HB ASN 68 11.457 32.426 15.950 573 1HD2 ASN 68 1HD2 ASN 68 9.200 29.991 14.589 574 2HD2 ASN 68 2HD2 ASN 68 7.805 30.469 15.529 575 HA PRO 69 HA PRO 69 12.094 35.945 13.810 576 1HB PRO 69 1HB PRO 69 14.805 36.314 13.931 577 2HB PRO 69 2HB PRO 69 13.894 35.716 15.351 578 1HG PRO 69 1HG PRO 69 15.509 34.104 13.369 579 2HG PRO 69 2HG PRO 69 15.443 33.942 15.140 580 1HD PRO 69 1HD PRO 69 13.933 32.415 13.315 581 2HD PRO 69 2HD PRO 69 13.502 32.671 15.040 582 H GLU 70 H GLU 70 14.297 34.186 11.737 583 HA GLU 70 HA GLU 70 14.414 36.417 9.917 584 1HB GLU 70 1HB GLU 70 15.700 34.696 8.419 585 2HB GLU 70 2HB GLU 70 16.217 34.448 10.040 586 1HG GLU 70 1HG GLU 70 15.658 32.204 9.677 587 2HG GLU 70 2HG GLU 70 14.018 32.624 9.988 588 H ASN 71 H ASN 71 12.403 33.665 10.201 589 HA ASN 71 HA ASN 71 10.716 34.636 7.927 590 1HB ASN 71 1HB ASN 71 11.869 32.121 8.032 591 2HB ASN 71 2HB ASN 71 10.647 31.851 9.201 592 1HD2 ASN 71 1HD2 ASN 71 9.001 30.744 8.382 593 2HD2 ASN 71 2HD2 ASN 71 8.299 30.984 6.790 594 H ARG 72 H ARG 72 10.629 35.935 10.326 595 HA ARG 72 HA ARG 72 8.385 34.953 11.906 596 1HB ARG 72 1HB ARG 72 10.121 36.567 12.779 597 2HB ARG 72 2HB ARG 72 9.368 37.836 11.831 598 1HG ARG 72 1HG ARG 72 7.356 37.750 13.077 599 2HG ARG 72 2HG ARG 72 7.638 36.107 13.633 600 1HD ARG 72 1HD ARG 72 9.159 38.579 14.537 601 2HD ARG 72 2HD ARG 72 7.869 37.788 15.445 602 HE ARG 72 HE ARG 72 10.639 37.072 15.356 603 1HH1 ARG 72 1HH1 ARG 72 7.442 35.504 15.560 604 2HH1 ARG 72 2HH1 ARG 72 8.084 34.084 16.361 605 1HH2 ARG 72 1HH2 ARG 72 11.381 35.253 16.568 606 2HH2 ARG 72 2HH2 ARG 72 10.250 33.973 16.958 607 H ILE 73 H ILE 73 7.229 34.426 9.816 608 HA ILE 73 HA ILE 73 5.163 36.462 9.257 609 HB ILE 73 HB ILE 73 6.246 34.473 7.196 610 1HG1 ILE 73 1HG1 ILE 73 6.892 36.599 5.914 611 2HG1 ILE 73 2HG1 ILE 73 6.865 37.452 7.459 612 1HG2 ILE 73 1HG2 ILE 73 3.825 35.175 6.999 613 2HG2 ILE 73 2HG2 ILE 73 4.362 36.859 6.931 614 3HG2 ILE 73 3HG2 ILE 73 4.811 35.721 5.647 615 1HD1 ILE 73 1HD1 ILE 73 8.543 34.940 7.036 616 2HD1 ILE 73 2HD1 ILE 73 9.115 36.522 6.485 617 3HD1 ILE 73 3HD1 ILE 73 8.805 36.271 8.190 618 H ILE 74 H ILE 74 5.144 34.995 11.395 619 HA ILE 74 HA ILE 74 3.331 32.684 10.953 620 HB ILE 74 HB ILE 74 5.464 32.942 13.095 621 1HG1 ILE 74 1HG1 ILE 74 5.601 30.798 10.980 622 2HG1 ILE 74 2HG1 ILE 74 6.350 32.367 10.676 623 1HG2 ILE 74 1HG2 ILE 74 3.581 30.650 12.294 624 2HG2 ILE 74 2HG2 ILE 74 4.780 30.556 13.587 625 3HG2 ILE 74 3HG2 ILE 74 3.414 31.656 13.742 626 1HD1 ILE 74 1HD1 ILE 74 6.982 30.756 13.179 627 2HD1 ILE 74 2HD1 ILE 74 7.902 30.700 11.677 628 3HD1 ILE 74 3HD1 ILE 74 7.781 32.222 12.585 629 HA PRO 75 HA PRO 75 1.185 35.595 13.560 630 1HB PRO 75 1HB PRO 75 -1.020 34.223 14.411 631 2HB PRO 75 2HB PRO 75 -0.768 34.672 12.702 632 1HG PRO 75 1HG PRO 75 -0.020 32.032 14.006 633 2HG PRO 75 2HG PRO 75 -1.056 32.305 12.576 634 1HD PRO 75 1HD PRO 75 1.579 31.756 12.267 635 2HD PRO 75 2HD PRO 75 0.799 33.010 11.259 636 H HIS 76 H HIS 76 0.430 35.819 15.911 637 HA HIS 76 HA HIS 76 1.145 33.827 17.877 638 1HB HIS 76 1HB HIS 76 2.858 35.353 19.025 639 2HB HIS 76 2HB HIS 76 3.347 34.510 17.580 640 HD1 HIS 76 HD1 HIS 76 2.378 38.057 18.626 641 HD2 HIS 76 HD2 HIS 76 4.177 35.974 15.467 642 HE1 HIS 76 HE1 HIS 76 3.363 39.788 17.054 643 H LEU 77 H LEU 77 1.424 36.372 19.713 644 HA LEU 77 HA LEU 77 0.155 37.776 20.864 645 1HB LEU 77 1HB LEU 77 -2.294 37.174 19.172 646 2HB LEU 77 2HB LEU 77 -2.079 38.479 20.312 647 HG LEU 77 HG LEU 77 -0.498 38.197 17.715 648 1HD1 LEU 77 1HD1 LEU 77 -2.779 40.059 18.485 649 2HD1 LEU 77 2HD1 LEU 77 -1.867 40.086 16.960 650 3HD1 LEU 77 3HD1 LEU 77 -2.886 38.692 17.356 651 1HD2 LEU 77 1HD2 LEU 77 0.203 40.531 18.199 652 2HD2 LEU 77 2HD2 LEU 77 -0.590 40.439 19.785 653 3HD2 LEU 77 3HD2 LEU 77 0.812 39.411 19.421 654 HA PRO 78 HA PRO 78 -1.210 34.645 23.593 655 1HB PRO 78 1HB PRO 78 -2.081 36.013 25.761 656 2HB PRO 78 2HB PRO 78 -0.379 36.085 25.224 657 1HG PRO 78 1HG PRO 78 -2.598 38.053 24.570 658 2HG PRO 78 2HG PRO 78 -0.987 38.424 25.254 659 1HD PRO 78 1HD PRO 78 -1.474 38.589 22.577 660 2HD PRO 78 2HD PRO 78 0.088 37.965 23.191 661 H ALA 79 H ALA 79 -3.093 33.917 24.998 662 HA ALA 79 HA ALA 79 -5.432 33.650 23.471 663 1HB ALA 79 1HB ALA 79 -4.615 31.968 25.044 664 2HB ALA 79 2HB ALA 79 -4.843 33.079 26.410 665 3HB ALA 79 3HB ALA 79 -6.245 32.442 25.537 666 HA PRO 80 HA PRO 80 -7.793 37.209 24.540 667 1HB PRO 80 1HB PRO 80 -10.380 36.374 24.331 668 2HB PRO 80 2HB PRO 80 -9.226 36.334 22.967 669 1HG PRO 80 1HG PRO 80 -9.861 34.034 24.836 670 2HG PRO 80 2HG PRO 80 -10.029 34.065 23.052 671 1HD PRO 80 1HD PRO 80 -7.783 33.127 24.158 672 2HD PRO 80 2HD PRO 80 -7.678 34.220 22.747 673 H LYS 81 H LYS 81 -6.716 36.936 26.843 674 HA LYS 81 HA LYS 81 -8.858 37.447 28.734 675 1HB LYS 81 1HB LYS 81 -8.155 35.743 30.379 676 2HB LYS 81 2HB LYS 81 -8.666 35.002 28.863 677 1HG LYS 81 1HG LYS 81 -6.805 33.783 29.586 678 2HG LYS 81 2HG LYS 81 -6.239 34.735 28.211 679 1HD LYS 81 1HD LYS 81 -5.079 36.284 29.715 680 2HD LYS 81 2HD LYS 81 -5.856 35.548 31.131 681 1HE LYS 81 1HE LYS 81 -4.624 33.442 30.691 682 2HE LYS 81 2HE LYS 81 -3.890 34.166 29.246 683 1HZ LYS 81 1HZ LYS 81 -2.433 34.273 31.133 684 2HZ LYS 81 2HZ LYS 81 -2.859 35.797 30.673 685 3HZ LYS 81 3HZ LYS 81 -3.540 35.118 32.009 686 H TRP 82 H TRP 82 -6.307 38.664 27.542 687 HA TRP 82 HA TRP 82 -5.046 39.596 30.081 688 1HB TRP 82 1HB TRP 82 -4.321 39.952 27.150 689 2HB TRP 82 2HB TRP 82 -3.523 40.789 28.480 690 HD1 TRP 82 HD1 TRP 82 -4.148 37.164 27.331 691 HE1 TRP 82 HE1 TRP 82 -2.140 35.696 28.034 692 HE3 TRP 82 HE3 TRP 82 -1.443 40.650 29.925 693 HZ2 TRP 82 HZ2 TRP 82 0.285 35.999 29.507 694 HZ3 TRP 82 HZ3 TRP 82 0.714 40.026 30.966 695 HH2 TRP 82 HH2 TRP 82 1.589 37.711 30.761 696 H PHE 83 H PHE 83 -6.872 40.608 27.235 697 HA PHE 83 HA PHE 83 -7.953 42.956 28.669 698 1HB PHE 83 1HB PHE 83 -6.821 43.032 25.841 699 2HB PHE 83 2HB PHE 83 -7.603 44.360 26.694 700 HD1 PHE 83 HD1 PHE 83 -4.467 42.686 26.017 701 HD2 PHE 83 HD2 PHE 83 -6.472 45.265 28.836 702 HE1 PHE 83 HE1 PHE 83 -2.275 43.416 26.915 703 HE2 PHE 83 HE2 PHE 83 -4.274 45.991 29.728 704 HZ PHE 83 HZ PHE 83 -2.175 45.069 28.769 705 H ASP 84 H ASP 84 -9.356 40.716 28.674 706 HA ASP 84 HA ASP 84 -10.703 40.081 26.331 707 1HB ASP 84 1HB ASP 84 -12.445 39.037 28.220 708 2HB ASP 84 2HB ASP 84 -10.813 38.443 28.294 709 H GLY 85 H GLY 85 -11.233 42.199 25.431 710 1HA GLY 85 1HA GLY 85 -13.967 42.943 25.714 711 2HA GLY 85 2HA GLY 85 -12.885 44.174 26.334 712 H GLN 86 H GLN 86 -13.765 42.769 23.469 713 HA GLN 86 HA GLN 86 -13.464 43.321 21.269 714 1HB GLN 86 1HB GLN 86 -11.885 45.790 22.153 715 2HB GLN 86 2HB GLN 86 -12.521 45.443 20.548 716 1HG GLN 86 1HG GLN 86 -14.833 45.512 21.420 717 2HG GLN 86 2HG GLN 86 -14.217 45.918 23.034 718 1HE2 GLN 86 1HE2 GLN 86 -16.001 47.673 21.988 719 2HE2 GLN 86 2HE2 GLN 86 -15.186 49.126 21.443 720 H ARG 87 H ARG 87 -10.689 43.473 23.333 721 HA ARG 87 HA ARG 87 -8.944 42.427 21.180 722 1HB ARG 87 1HB ARG 87 -8.621 43.570 24.006 723 2HB ARG 87 2HB ARG 87 -7.354 42.482 23.466 724 1HG ARG 87 1HG ARG 87 -8.343 44.856 21.824 725 2HG ARG 87 2HG ARG 87 -7.027 45.001 23.000 726 1HD ARG 87 1HD ARG 87 -5.521 43.760 21.709 727 2HD ARG 87 2HD ARG 87 -6.781 42.807 20.945 728 HE ARG 87 HE ARG 87 -6.939 44.272 19.222 729 1HH1 ARG 87 1HH1 ARG 87 -5.363 46.004 21.882 730 2HH1 ARG 87 2HH1 ARG 87 -5.065 47.432 20.926 731 1HH2 ARG 87 1HH2 ARG 87 -6.606 46.045 18.034 732 2HH2 ARG 87 2HH2 ARG 87 -5.803 47.482 18.655 733 H ALA 88 H ALA 88 -11.219 41.167 23.105 734 HA ALA 88 HA ALA 88 -9.892 38.570 23.548 735 1HB ALA 88 1HB ALA 88 -12.346 39.875 24.579 736 2HB ALA 88 2HB ALA 88 -12.683 38.265 23.934 737 3HB ALA 88 3HB ALA 88 -11.486 38.439 25.204 738 H ALA 89 H ALA 89 -12.215 40.283 21.626 739 HA ALA 89 HA ALA 89 -12.941 38.079 19.886 740 1HB ALA 89 1HB ALA 89 -13.318 41.092 19.583 741 2HB ALA 89 2HB ALA 89 -14.037 39.846 18.545 742 3HB ALA 89 3HB ALA 89 -14.481 39.937 20.257 743 H GLU 90 H GLU 90 -11.235 41.103 19.225 744 HA GLU 90 HA GLU 90 -10.030 40.298 16.806 745 1HB GLU 90 1HB GLU 90 -10.460 42.643 17.679 746 2HB GLU 90 2HB GLU 90 -9.083 42.440 18.773 747 1HG GLU 90 1HG GLU 90 -7.582 42.223 16.786 748 2HG GLU 90 2HG GLU 90 -8.989 42.448 15.727 749 H ASN 91 H ASN 91 -8.898 39.296 19.923 750 HA ASN 91 HA ASN 91 -6.126 39.014 18.954 751 1HB ASN 91 1HB ASN 91 -7.625 38.074 21.492 752 2HB ASN 91 2HB ASN 91 -6.231 37.167 21.000 753 1HD2 ASN 91 1HD2 ASN 91 -4.823 37.695 22.653 754 2HD2 ASN 91 2HD2 ASN 91 -4.226 39.327 22.885 755 H ARG 92 H ARG 92 -8.652 36.604 19.915 756 HA ARG 92 HA ARG 92 -7.411 34.629 18.300 757 1HB ARG 92 1HB ARG 92 -9.203 33.191 18.845 758 2HB ARG 92 2HB ARG 92 -8.972 34.210 20.274 759 1HG ARG 92 1HG ARG 92 -10.904 35.647 19.468 760 2HG ARG 92 2HG ARG 92 -11.112 34.511 18.118 761 1HD ARG 92 1HD ARG 92 -11.316 32.670 19.877 762 2HD ARG 92 2HD ARG 92 -11.521 33.972 21.073 763 HE ARG 92 HE ARG 92 -13.318 34.570 19.049 764 1HH1 ARG 92 1HH1 ARG 92 -12.857 31.897 21.334 765 2HH1 ARG 92 2HH1 ARG 92 -14.376 31.123 20.922 766 1HH2 ARG 92 1HH2 ARG 92 -15.418 33.616 18.672 767 2HH2 ARG 92 2HH2 ARG 92 -15.852 32.155 19.525 768 H GLN 93 H GLN 93 -9.731 37.087 17.472 769 HA GLN 93 HA GLN 93 -10.383 35.758 14.914 770 1HB GLN 93 1HB GLN 93 -11.196 38.468 15.960 771 2HB GLN 93 2HB GLN 93 -11.690 37.783 14.413 772 1HG GLN 93 1HG GLN 93 -12.757 35.880 15.449 773 2HG GLN 93 2HG GLN 93 -12.267 36.403 17.065 774 1HE2 GLN 93 1HE2 GLN 93 -14.981 35.914 16.315 775 2HE2 GLN 93 2HE2 GLN 93 -15.828 37.445 16.420 776 H GLY 94 H GLY 94 -7.638 37.299 15.889 777 1HA GLY 94 1HA GLY 94 -7.044 38.375 13.133 778 2HA GLY 94 2HA GLY 94 -6.262 38.900 14.629 779 H THR 95 H THR 95 -5.813 36.582 15.980 780 HA THR 95 HA THR 95 -3.532 35.476 14.703 781 HB THR 95 HB THR 95 -5.240 34.540 17.090 782 HG1 THR 95 HG1 THR 95 -2.779 35.853 17.351 783 1HG2 THR 95 1HG2 THR 95 -3.138 33.431 17.909 784 2HG2 THR 95 2HG2 THR 95 -3.780 32.680 16.439 785 3HG2 THR 95 3HG2 THR 95 -2.379 33.767 16.343 786 H LEU 96 H LEU 96 -6.827 34.173 15.111 787 HA LEU 96 HA LEU 96 -6.179 31.687 13.754 788 1HB LEU 96 1HB LEU 96 -8.123 31.969 15.231 789 2HB LEU 96 2HB LEU 96 -8.795 33.161 14.110 790 HG LEU 96 HG LEU 96 -10.007 31.280 13.760 791 1HD1 LEU 96 1HD1 LEU 96 -9.923 30.724 11.743 792 2HD1 LEU 96 2HD1 LEU 96 -9.406 32.445 11.811 793 3HD1 LEU 96 3HD1 LEU 96 -8.216 31.105 11.470 794 1HD2 LEU 96 1HD2 LEU 96 -7.808 29.439 12.845 795 2HD2 LEU 96 2HD2 LEU 96 -8.339 29.506 14.544 796 3HD2 LEU 96 3HD2 LEU 96 -9.478 29.109 13.278 797 H THR 97 H THR 97 -7.808 34.639 12.777 798 HA THR 97 HA THR 97 -8.118 34.237 10.015 799 HB THR 97 HB THR 97 -7.630 36.710 11.733 800 HG1 THR 97 HG1 THR 97 -9.746 36.892 11.572 801 1HG2 THR 97 1HG2 THR 97 -6.635 37.465 9.755 802 2HG2 THR 97 2HG2 THR 97 -8.021 36.904 8.776 803 3HG2 THR 97 3HG2 THR 97 -8.215 38.217 9.970 804 H GLU 98 H GLU 98 -5.168 35.166 11.646 805 HA GLU 98 HA GLU 98 -3.860 35.301 8.980 806 1HB GLU 98 1HB GLU 98 -3.332 36.976 10.914 807 2HB GLU 98 2HB GLU 98 -2.653 35.601 11.785 808 1HG GLU 98 1HG GLU 98 -1.153 35.272 9.682 809 2HG GLU 98 2HG GLU 98 -1.707 36.881 9.195 810 H TYR 99 H TYR 99 -3.954 33.177 11.819 811 HA TYR 99 HA TYR 99 -1.958 31.640 10.634 812 1HB TYR 99 1HB TYR 99 -3.096 31.188 13.062 813 2HB TYR 99 2HB TYR 99 -4.049 30.063 12.150 814 HD1 TYR 99 HD1 TYR 99 -0.377 30.464 11.074 815 HD2 TYR 99 HD2 TYR 99 -3.110 28.148 13.545 816 HE1 TYR 99 HE1 TYR 99 1.331 28.777 11.396 817 HE2 TYR 99 HE2 TYR 99 -1.303 26.475 13.831 818 HH TYR 99 HH TYR 99 1.828 26.757 12.162 819 H CYS 100 H CYS 100 -5.445 31.490 10.035 820 HA CYS 100 HA CYS 100 -5.269 29.046 8.558 821 1HB CYS 100 1HB CYS 100 -7.461 30.240 9.185 822 2HB CYS 100 2HB CYS 100 -7.123 31.408 7.887 823 HG CYS 100 HG CYS 100 -6.880 29.589 5.995 824 H SER 101 H SER 101 -4.864 32.443 7.533 825 HA SER 101 HA SER 101 -4.184 31.669 4.822 826 1HB SER 101 1HB SER 101 -3.505 34.180 6.455 827 2HB SER 101 2HB SER 101 -3.371 34.051 4.690 828 HG SER 101 HG SER 101 -5.650 33.587 4.684 829 H THR 102 H THR 102 -2.260 31.981 7.704 830 HA THR 102 HA THR 102 0.272 31.782 6.295 831 HB THR 102 HB THR 102 -0.380 32.134 9.235 832 HG1 THR 102 HG1 THR 102 0.606 33.917 7.259 833 1HG2 THR 102 1HG2 THR 102 2.271 32.190 7.804 834 2HG2 THR 102 2HG2 THR 102 1.932 32.998 9.340 835 3HG2 THR 102 3HG2 THR 102 1.791 31.233 9.242 836 H LEU 103 H LEU 103 -1.769 29.560 7.917 837 HA LEU 103 HA LEU 103 0.247 27.486 8.266 838 1HB LEU 103 1HB LEU 103 -2.576 27.811 8.702 839 2HB LEU 103 2HB LEU 103 -2.495 26.446 7.879 840 HG LEU 103 HG LEU 103 -1.151 26.869 10.553 841 1HD1 LEU 103 1HD1 LEU 103 -3.474 25.102 10.455 842 2HD1 LEU 103 2HD1 LEU 103 -2.935 26.296 11.636 843 3HD1 LEU 103 3HD1 LEU 103 -3.809 26.823 10.232 844 1HD2 LEU 103 1HD2 LEU 103 -1.932 24.134 9.470 845 2HD2 LEU 103 2HD2 LEU 103 -0.294 24.733 9.206 846 3HD2 LEU 103 3HD2 LEU 103 -0.922 24.501 10.834 847 H MET 104 H MET 104 -1.760 28.706 5.638 848 HA MET 104 HA MET 104 -0.609 26.724 3.743 849 1HB MET 104 1HB MET 104 -3.175 27.771 3.871 850 2HB MET 104 2HB MET 104 -2.378 29.027 2.925 851 1HG MET 104 1HG MET 104 -3.025 27.678 1.199 852 2HG MET 104 2HG MET 104 -1.497 26.874 1.532 853 1HE MET 104 1HE MET 104 -2.724 25.555 4.502 854 2HE MET 104 2HE MET 104 -3.109 23.931 3.911 855 3HE MET 104 3HE MET 104 -1.561 24.679 3.474 856 H SER 105 H SER 105 0.340 29.577 4.941 857 HA SER 105 HA SER 105 1.672 30.366 2.411 858 1HB SER 105 1HB SER 105 0.652 32.210 4.198 859 2HB SER 105 2HB SER 105 2.122 31.775 5.090 860 HG SER 105 HG SER 105 2.417 33.541 3.712 861 H LEU 106 H LEU 106 2.442 29.122 5.703 862 HA LEU 106 HA LEU 106 4.834 29.350 5.867 863 1HB LEU 106 1HB LEU 106 3.239 26.862 6.434 864 2HB LEU 106 2HB LEU 106 4.905 27.060 6.889 865 HG LEU 106 HG LEU 106 2.531 28.268 8.168 866 1HD1 LEU 106 1HD1 LEU 106 3.796 27.821 10.139 867 2HD1 LEU 106 2HD1 LEU 106 3.827 26.402 9.064 868 3HD1 LEU 106 3HD1 LEU 106 5.251 27.470 9.175 869 1HD2 LEU 106 1HD2 LEU 106 3.650 30.390 7.533 870 2HD2 LEU 106 2HD2 LEU 106 3.778 30.059 9.259 871 3HD2 LEU 106 3HD2 LEU 106 5.177 29.782 8.215 872 HA PRO 107 HA PRO 107 6.954 27.461 2.548 873 1HB PRO 107 1HB PRO 107 9.536 27.871 3.130 874 2HB PRO 107 2HB PRO 107 8.429 29.233 2.722 875 1HG PRO 107 1HG PRO 107 9.348 28.305 5.469 876 2HG PRO 107 2HG PRO 107 9.218 29.982 4.878 877 1HD PRO 107 1HD PRO 107 7.302 28.581 6.381 878 2HD PRO 107 2HD PRO 107 6.968 30.048 5.418 879 H THR 108 H THR 108 7.072 26.513 5.733 880 HA THR 108 HA THR 108 8.665 24.055 5.331 881 HB THR 108 HB THR 108 7.578 23.799 7.736 882 HG1 THR 108 HG1 THR 108 6.682 25.568 8.603 883 1HG2 THR 108 1HG2 THR 108 9.451 26.100 7.202 884 2HG2 THR 108 2HG2 THR 108 9.148 25.344 8.782 885 3HG2 THR 108 3HG2 THR 108 9.903 24.388 7.495 886 H LYS 109 H LYS 109 6.522 24.491 3.513 887 HA LYS 109 HA LYS 109 4.335 22.905 4.623 888 1HB LYS 109 1HB LYS 109 4.353 24.628 2.445 889 2HB LYS 109 2HB LYS 109 4.937 23.236 1.553 890 1HG LYS 109 1HG LYS 109 2.874 21.994 2.062 891 2HG LYS 109 2HG LYS 109 2.329 23.306 3.128 892 1HD LYS 109 1HD LYS 109 2.283 24.863 1.206 893 2HD LYS 109 2HD LYS 109 2.860 23.569 0.137 894 1HE LYS 109 1HE LYS 109 0.812 22.246 0.621 895 2HE LYS 109 2HE LYS 109 0.233 23.527 1.703 896 1HZ LYS 109 1HZ LYS 109 0.708 23.820 -1.181 897 2HZ LYS 109 2HZ LYS 109 -0.760 23.673 -0.453 898 3HZ LYS 109 3HZ LYS 109 0.167 25.003 -0.174 899 H ILE 110 H ILE 110 7.321 22.010 3.710 900 HA ILE 110 HA ILE 110 6.531 19.221 3.115 901 HB ILE 110 HB ILE 110 9.295 20.482 3.289 902 1HG1 ILE 110 1HG1 ILE 110 8.147 21.600 1.482 903 2HG1 ILE 110 2HG1 ILE 110 9.331 20.478 0.830 904 1HG2 ILE 110 1HG2 ILE 110 8.357 17.797 2.206 905 2HG2 ILE 110 2HG2 ILE 110 9.979 18.476 1.950 906 3HG2 ILE 110 3HG2 ILE 110 9.430 18.094 3.584 907 1HD1 ILE 110 1HD1 ILE 110 7.278 20.405 -0.477 908 2HD1 ILE 110 2HD1 ILE 110 7.506 18.846 0.328 909 3HD1 ILE 110 3HD1 ILE 110 6.315 20.012 0.954 910 H SER 111 H SER 111 7.938 21.227 5.668 911 HA SER 111 HA SER 111 8.533 18.929 7.340 912 1HB SER 111 1HB SER 111 8.676 21.891 7.977 913 2HB SER 111 2HB SER 111 9.304 20.575 8.972 914 HG SER 111 HG SER 111 10.097 21.097 6.289 915 H ARG 112 H ARG 112 6.224 21.590 7.305 916 HA ARG 112 HA ARG 112 4.719 20.458 9.581 917 1HB ARG 112 1HB ARG 112 3.753 22.480 9.860 918 2HB ARG 112 2HB ARG 112 5.330 22.923 9.228 919 1HG ARG 112 1HG ARG 112 4.249 24.201 7.727 920 2HG ARG 112 2HG ARG 112 3.773 22.711 6.913 921 1HD ARG 112 1HD ARG 112 1.756 22.694 8.623 922 2HD ARG 112 2HD ARG 112 2.240 24.351 8.960 923 HE ARG 112 HE ARG 112 1.304 25.025 6.966 924 1HH1 ARG 112 1HH1 ARG 112 1.742 21.498 6.843 925 2HH1 ARG 112 2HH1 ARG 112 0.977 21.337 5.286 926 1HH2 ARG 112 1HH2 ARG 112 0.234 24.801 5.051 927 2HH2 ARG 112 2HH2 ARG 112 0.029 23.241 4.266 928 H CYS 113 H CYS 113 4.842 19.626 6.376 929 HA CYS 113 HA CYS 113 2.200 19.552 5.536 930 1HB CYS 113 1HB CYS 113 4.455 18.553 4.414 931 2HB CYS 113 2HB CYS 113 3.774 17.058 4.985 932 HG CYS 113 HG CYS 113 3.115 17.401 2.529 933 HA PRO 114 HA PRO 114 1.347 15.467 7.875 934 1HB PRO 114 1HB PRO 114 3.064 14.576 9.852 935 2HB PRO 114 2HB PRO 114 3.264 14.109 8.138 936 1HG PRO 114 1HG PRO 114 4.631 16.411 9.584 937 2HG PRO 114 2HG PRO 114 5.407 15.115 8.625 938 1HD PRO 114 1HD PRO 114 4.907 17.459 7.465 939 2HD PRO 114 2HD PRO 114 4.501 15.947 6.611 940 H HIS 115 H HIS 115 2.813 18.153 9.582 941 HA HIS 115 HA HIS 115 1.151 17.651 11.830 942 1HB HIS 115 1HB HIS 115 3.238 19.162 11.715 943 2HB HIS 115 2HB HIS 115 2.106 20.439 11.268 944 HD1 HIS 115 HD1 HIS 115 1.412 17.631 13.823 945 HD2 HIS 115 HD2 HIS 115 2.161 21.749 13.761 946 HE1 HIS 115 HE1 HIS 115 1.039 18.500 16.171 947 H LEU 116 H LEU 116 0.677 19.961 9.010 948 HA LEU 116 HA LEU 116 -1.693 20.638 9.877 949 1HB LEU 116 1HB LEU 116 -0.508 21.597 7.842 950 2HB LEU 116 2HB LEU 116 -1.221 20.308 6.860 951 HG LEU 116 HG LEU 116 -2.319 22.793 7.960 952 1HD1 LEU 116 1HD1 LEU 116 -3.668 20.817 5.953 953 2HD1 LEU 116 2HD1 LEU 116 -4.028 22.528 6.067 954 3HD1 LEU 116 3HD1 LEU 116 -2.486 21.998 5.370 955 1HD2 LEU 116 1HD2 LEU 116 -4.288 20.648 8.118 956 2HD2 LEU 116 2HD2 LEU 116 -3.471 21.534 9.452 957 3HD2 LEU 116 3HD2 LEU 116 -4.463 22.401 8.330 958 H LEU 117 H LEU 117 -0.926 17.959 7.696 959 HA LEU 117 HA LEU 117 -3.547 16.829 7.316 960 1HB LEU 117 1HB LEU 117 -0.841 15.461 7.466 961 2HB LEU 117 2HB LEU 117 -2.368 14.648 7.213 962 HG LEU 117 HG LEU 117 -2.534 16.373 5.038 963 1HD1 LEU 117 1HD1 LEU 117 0.412 16.015 5.489 964 2HD1 LEU 117 2HD1 LEU 117 -0.376 16.353 3.938 965 3HD1 LEU 117 3HD1 LEU 117 -0.522 17.534 5.235 966 1HD2 LEU 117 1HD2 LEU 117 -0.902 13.879 5.037 967 2HD2 LEU 117 2HD2 LEU 117 -2.685 13.874 5.235 968 3HD2 LEU 117 3HD2 LEU 117 -1.981 14.622 3.819 969 H ASP 118 H ASP 118 -1.340 16.493 10.063 970 HA ASP 118 HA ASP 118 -3.233 14.797 11.478 971 1HB ASP 118 1HB ASP 118 -0.733 16.423 12.227 972 2HB ASP 118 2HB ASP 118 -1.613 15.576 13.458 973 H PHE 119 H PHE 119 -3.391 18.056 10.827 974 HA PHE 119 HA PHE 119 -4.525 19.065 13.357 975 1HB PHE 119 1HB PHE 119 -3.134 20.199 11.248 976 2HB PHE 119 2HB PHE 119 -4.779 20.469 10.662 977 HD1 PHE 119 HD1 PHE 119 -2.287 22.608 11.134 978 HD2 PHE 119 HD2 PHE 119 -5.698 21.262 13.407 979 HE1 PHE 119 HE1 PHE 119 -2.289 24.602 12.454 980 HE2 PHE 119 HE2 PHE 119 -5.689 23.383 14.735 981 HZ PHE 119 HZ PHE 119 -3.924 25.074 14.221 982 H PHE 120 H PHE 120 -5.260 18.124 10.136 983 HA PHE 120 HA PHE 120 -8.193 18.401 10.405 984 1HB PHE 120 1HB PHE 120 -6.105 17.750 8.200 985 2HB PHE 120 2HB PHE 120 -7.837 17.862 7.903 986 HD1 PHE 120 HD1 PHE 120 -6.259 19.391 6.229 987 HD2 PHE 120 HD2 PHE 120 -7.476 20.441 10.214 988 HE1 PHE 120 HE1 PHE 120 -6.226 21.776 5.610 989 HE2 PHE 120 HE2 PHE 120 -7.442 22.816 9.607 990 HZ PHE 120 HZ PHE 120 -6.837 23.506 7.319 991 H LYS 121 H LYS 121 -5.992 15.761 9.456 992 HA LYS 121 HA LYS 121 -8.109 13.902 9.214 993 1HB LYS 121 1HB LYS 121 -6.654 12.327 8.608 994 2HB LYS 121 2HB LYS 121 -5.710 13.774 8.265 995 1HG LYS 121 1HG LYS 121 -4.784 13.424 10.687 996 2HG LYS 121 2HG LYS 121 -5.480 11.794 10.552 997 1HD LYS 121 1HD LYS 121 -4.121 11.607 8.338 998 2HD LYS 121 2HD LYS 121 -3.329 13.108 8.849 999 1HE LYS 121 1HE LYS 121 -2.901 11.771 11.109 1000 2HE LYS 121 2HE LYS 121 -3.203 10.350 10.088 1001 1HZ LYS 121 1HZ LYS 121 -1.462 11.302 8.599 1002 2HZ LYS 121 2HZ LYS 121 -1.146 12.413 9.807 1003 3HZ LYS 121 3HZ LYS 121 -0.910 10.815 10.082 1004 H VAL 122 H VAL 122 -6.526 15.112 12.007 1005 HA VAL 122 HA VAL 122 -7.566 12.955 13.719 1006 HB VAL 122 HB VAL 122 -5.906 15.361 14.495 1007 1HG1 VAL 122 1HG1 VAL 122 -6.479 12.715 15.894 1008 2HG1 VAL 122 2HG1 VAL 122 -5.392 13.990 16.483 1009 3HG1 VAL 122 3HG1 VAL 122 -7.134 14.296 16.376 1010 1HG2 VAL 122 1HG2 VAL 122 -5.186 12.496 13.671 1011 2HG2 VAL 122 2HG2 VAL 122 -4.708 13.982 12.853 1012 3HG2 VAL 122 3HG2 VAL 122 -4.038 13.625 14.441 1013 H ARG 123 H ARG 123 -7.898 16.537 13.312 1014 HA ARG 123 HA ARG 123 -9.573 17.942 14.252 1015 1HB ARG 123 1HB ARG 123 -11.748 17.402 13.302 1016 2HB ARG 123 2HB ARG 123 -10.411 17.470 12.159 1017 1HG ARG 123 1HG ARG 123 -10.299 14.936 12.173 1018 2HG ARG 123 2HG ARG 123 -11.703 14.917 13.231 1019 1HD ARG 123 1HD ARG 123 -12.873 16.270 11.371 1020 2HD ARG 123 2HD ARG 123 -11.504 15.854 10.340 1021 HE ARG 123 HE ARG 123 -13.693 14.182 11.286 1022 1HH1 ARG 123 1HH1 ARG 123 -10.326 14.069 10.234 1023 2HH1 ARG 123 2HH1 ARG 123 -10.319 12.359 9.912 1024 1HH2 ARG 123 1HH2 ARG 123 -13.760 11.974 10.759 1025 2HH2 ARG 123 2HH2 ARG 123 -12.358 11.152 10.122 1026 HA PRO 124 HA PRO 124 -10.889 15.541 17.828 1027 1HB PRO 124 1HB PRO 124 -9.420 16.651 19.883 1028 2HB PRO 124 2HB PRO 124 -8.657 15.521 18.729 1029 1HG PRO 124 1HG PRO 124 -8.700 18.548 18.564 1030 2HG PRO 124 2HG PRO 124 -7.258 17.494 18.519 1031 1HD PRO 124 1HD PRO 124 -8.480 18.403 16.245 1032 2HD PRO 124 2HD PRO 124 -7.765 16.767 16.319 1033 H ASP 125 H ASP 125 -12.079 17.629 16.417 1034 HA ASP 125 HA ASP 125 -13.864 18.399 18.493 1035 1HB ASP 125 1HB ASP 125 -12.051 20.274 18.211 1036 2HB ASP 125 2HB ASP 125 -12.645 20.526 16.578 1037 H ASP 126 H ASP 126 -13.413 16.903 15.732 1038 HA ASP 126 HA ASP 126 -16.039 17.602 14.559 1039 1HB ASP 126 1HB ASP 126 -14.244 17.498 12.887 1040 2HB ASP 126 2HB ASP 126 -13.619 16.022 13.631 1041 H LEU 127 H LEU 127 -13.971 14.767 15.470 1042 HA LEU 127 HA LEU 127 -16.339 13.466 16.636 1043 1HB LEU 127 1HB LEU 127 -14.532 12.541 14.320 1044 2HB LEU 127 2HB LEU 127 -15.321 11.301 15.204 1045 HG LEU 127 HG LEU 127 -17.103 13.423 13.760 1046 1HD1 LEU 127 1HD1 LEU 127 -15.842 11.931 12.233 1047 2HD1 LEU 127 2HD1 LEU 127 -16.458 10.523 13.137 1048 3HD1 LEU 127 3HD1 LEU 127 -17.587 11.603 12.286 1049 1HD2 LEU 127 1HD2 LEU 127 -17.731 10.835 15.248 1050 2HD2 LEU 127 2HD2 LEU 127 -18.173 12.473 15.779 1051 3HD2 LEU 127 3HD2 LEU 127 -18.853 11.813 14.291 1052 H LYS 128 H LYS 128 -13.839 14.755 17.617 1053 HA LYS 128 HA LYS 128 -13.207 12.651 19.471 1054 1HB LYS 128 1HB LYS 128 -11.296 13.515 17.277 1055 2HB LYS 128 2HB LYS 128 -10.582 13.618 18.883 1056 1HG LYS 128 1HG LYS 128 -11.247 11.228 19.298 1057 2HG LYS 128 2HG LYS 128 -11.885 11.160 17.650 1058 1HD LYS 128 1HD LYS 128 -9.731 10.167 17.633 1059 2HD LYS 128 2HD LYS 128 -9.631 11.699 16.745 1060 1HE LYS 128 1HE LYS 128 -8.506 12.783 18.618 1061 2HE LYS 128 2HE LYS 128 -8.835 11.402 19.684 1062 1HZ LYS 128 1HZ LYS 128 -7.106 11.342 17.310 1063 2HZ LYS 128 2HZ LYS 128 -6.594 11.420 18.873 1064 3HZ LYS 128 3HZ LYS 128 -7.390 10.084 18.335 1065 H LEU 129 H LEU 129 -14.710 14.824 19.441 1066 HA LEU 129 HA LEU 129 -13.921 17.207 20.527 1067 1HB LEU 129 1HB LEU 129 -16.345 15.379 20.947 1068 2HB LEU 129 2HB LEU 129 -16.424 17.014 21.470 1069 HG LEU 129 HG LEU 129 -15.942 16.578 18.423 1070 1HD1 LEU 129 1HD1 LEU 129 -18.363 16.479 18.239 1071 2HD1 LEU 129 2HD1 LEU 129 -17.731 15.057 19.104 1072 3HD1 LEU 129 3HD1 LEU 129 -18.518 16.369 20.014 1073 1HD2 LEU 129 1HD2 LEU 129 -17.563 18.608 20.018 1074 2HD2 LEU 129 2HD2 LEU 129 -15.873 18.851 19.542 1075 3HD2 LEU 129 3HD2 LEU 129 -17.127 18.630 18.306 1076 HA PRO 130 HA PRO 130 -13.110 16.043 24.788 1077 1HB PRO 130 1HB PRO 130 -13.665 18.146 26.313 1078 2HB PRO 130 2HB PRO 130 -12.573 18.324 24.906 1079 1HG PRO 130 1HG PRO 130 -15.501 18.969 25.087 1080 2HG PRO 130 2HG PRO 130 -14.214 20.013 24.406 1081 1HD PRO 130 1HD PRO 130 -15.930 18.303 23.045 1082 2HD PRO 130 2HD PRO 130 -14.386 18.863 22.350 Start of MODEL 18 1 1H GLY 1 1H GLY 1 -4.152 2.368 4.185 2 2H GLY 1 2H GLY 1 -5.285 1.179 4.401 3 3H GLY 1 3H GLY 1 -3.676 0.805 4.304 4 1HA GLY 1 1HA GLY 1 -4.730 0.242 2.255 5 2HA GLY 1 2HA GLY 1 -5.307 1.919 2.135 6 H SER 2 H SER 2 -3.811 0.931 0.051 7 HA SER 2 HA SER 2 -1.118 0.986 -0.020 8 1HB SER 2 1HB SER 2 -2.887 2.317 -2.108 9 2HB SER 2 2HB SER 2 -1.337 1.488 -2.359 10 HG SER 2 HG SER 2 -3.116 0.134 -2.848 11 H MET 3 H MET 3 -3.193 3.805 -0.092 12 HA MET 3 HA MET 3 -0.924 5.550 0.697 13 1HB MET 3 1HB MET 3 -1.316 5.809 -1.731 14 2HB MET 3 2HB MET 3 -3.013 6.191 -1.440 15 1HG MET 3 1HG MET 3 -1.485 8.151 -1.905 16 2HG MET 3 2HG MET 3 -2.472 8.302 -0.468 17 1HE MET 3 1HE MET 3 0.910 6.226 -0.866 18 2HE MET 3 2HE MET 3 1.121 7.672 -1.883 19 3HE MET 3 3HE MET 3 2.076 7.480 -0.396 20 H GLY 4 H GLY 4 -2.259 4.475 2.618 21 1HA GLY 4 1HA GLY 4 -4.717 5.903 3.356 22 2HA GLY 4 2HA GLY 4 -3.788 4.756 4.349 23 H ASP 5 H ASP 5 -3.280 7.928 2.809 24 HA ASP 5 HA ASP 5 -2.988 9.260 5.307 25 1HB ASP 5 1HB ASP 5 -0.602 8.108 5.008 26 2HB ASP 5 2HB ASP 5 -0.416 9.000 3.517 27 H THR 6 H THR 6 -2.037 9.342 1.912 28 HA THR 6 HA THR 6 -1.967 10.884 0.284 29 HB THR 6 HB THR 6 -4.290 9.927 0.290 30 HG1 THR 6 HG1 THR 6 -4.842 11.326 -1.347 31 1HG2 THR 6 1HG2 THR 6 -4.822 12.736 1.361 32 2HG2 THR 6 2HG2 THR 6 -6.003 11.576 0.733 33 3HG2 THR 6 3HG2 THR 6 -5.061 11.203 2.217 34 H PHE 7 H PHE 7 -3.250 13.300 -0.151 35 HA PHE 7 HA PHE 7 -1.934 15.087 1.833 36 1HB PHE 7 1HB PHE 7 -1.364 15.203 -1.102 37 2HB PHE 7 2HB PHE 7 -0.509 15.994 0.185 38 HD1 PHE 7 HD1 PHE 7 -0.856 12.691 -1.665 39 HD2 PHE 7 HD2 PHE 7 0.762 14.333 2.046 40 HE1 PHE 7 HE1 PHE 7 0.520 10.747 -1.357 41 HE2 PHE 7 HE2 PHE 7 2.104 12.357 2.291 42 HZ PHE 7 HZ PHE 7 2.024 10.538 0.606 43 H ILE 8 H ILE 8 -2.062 17.433 1.051 44 HA ILE 8 HA ILE 8 -4.973 17.831 0.826 45 HB ILE 8 HB ILE 8 -2.831 19.195 2.460 46 1HG1 ILE 8 1HG1 ILE 8 -5.620 18.016 2.959 47 2HG1 ILE 8 2HG1 ILE 8 -4.086 17.167 3.226 48 1HG2 ILE 8 1HG2 ILE 8 -5.545 20.459 2.103 49 2HG2 ILE 8 2HG2 ILE 8 -4.216 20.966 3.164 50 3HG2 ILE 8 3HG2 ILE 8 -4.002 21.100 1.450 51 1HD1 ILE 8 1HD1 ILE 8 -5.066 19.650 4.597 52 2HD1 ILE 8 2HD1 ILE 8 -4.906 18.024 5.302 53 3HD1 ILE 8 3HD1 ILE 8 -3.441 18.948 4.836 54 H ARG 9 H ARG 9 -5.826 19.857 0.176 55 HA ARG 9 HA ARG 9 -4.500 20.817 -2.312 56 1HB ARG 9 1HB ARG 9 -7.025 19.611 -2.126 57 2HB ARG 9 2HB ARG 9 -7.498 21.265 -1.829 58 1HG ARG 9 1HG ARG 9 -5.910 20.245 -4.220 59 2HG ARG 9 2HG ARG 9 -7.630 20.650 -4.193 60 1HD ARG 9 1HD ARG 9 -7.084 23.007 -3.631 61 2HD ARG 9 2HD ARG 9 -5.359 22.656 -3.732 62 HE ARG 9 HE ARG 9 -7.232 23.076 -5.900 63 1HH1 ARG 9 1HH1 ARG 9 -4.189 21.460 -5.070 64 2HH1 ARG 9 2HH1 ARG 9 -3.590 21.444 -6.706 65 1HH2 ARG 9 1HH2 ARG 9 -6.449 23.059 -8.055 66 2HH2 ARG 9 2HH2 ARG 9 -4.897 22.360 -8.423 67 H HIS 10 H HIS 10 -6.812 21.896 0.223 68 HA HIS 10 HA HIS 10 -5.154 23.910 1.214 69 1HB HIS 10 1HB HIS 10 -5.751 25.829 -0.039 70 2HB HIS 10 2HB HIS 10 -6.015 24.720 -1.339 71 HD1 HIS 10 HD1 HIS 10 -8.735 23.526 -0.841 72 HD2 HIS 10 HD2 HIS 10 -7.919 27.595 -0.236 73 HE1 HIS 10 HE1 HIS 10 -10.943 24.810 -0.975 74 H ILE 11 H ILE 11 -6.486 25.851 2.219 75 HA ILE 11 HA ILE 11 -8.640 24.651 3.770 76 HB ILE 11 HB ILE 11 -7.059 26.969 4.801 77 1HG1 ILE 11 1HG1 ILE 11 -6.119 24.100 5.073 78 2HG1 ILE 11 2HG1 ILE 11 -5.328 25.364 4.139 79 1HG2 ILE 11 1HG2 ILE 11 -7.745 25.929 6.959 80 2HG2 ILE 11 2HG2 ILE 11 -9.141 26.215 5.954 81 3HG2 ILE 11 3HG2 ILE 11 -8.495 24.580 6.079 82 1HD1 ILE 11 1HD1 ILE 11 -4.189 25.102 6.248 83 2HD1 ILE 11 2HD1 ILE 11 -4.904 26.717 6.089 84 3HD1 ILE 11 3HD1 ILE 11 -5.640 25.507 7.154 85 H ALA 12 H ALA 12 -10.502 25.994 4.325 86 HA ALA 12 HA ALA 12 -10.745 28.684 3.194 87 1HB ALA 12 1HB ALA 12 -12.657 26.340 2.666 88 2HB ALA 12 2HB ALA 12 -13.001 28.039 2.303 89 3HB ALA 12 3HB ALA 12 -11.707 27.194 1.435 90 H LEU 13 H LEU 13 -12.765 29.663 4.408 91 HA LEU 13 HA LEU 13 -13.367 28.082 6.726 92 1HB LEU 13 1HB LEU 13 -11.405 29.696 7.025 93 2HB LEU 13 2HB LEU 13 -12.521 31.032 6.963 94 HG LEU 13 HG LEU 13 -12.305 28.803 9.159 95 1HD1 LEU 13 1HD1 LEU 13 -11.164 30.346 10.385 96 2HD1 LEU 13 2HD1 LEU 13 -10.308 30.182 8.859 97 3HD1 LEU 13 3HD1 LEU 13 -11.308 31.630 9.171 98 1HD2 LEU 13 1HD2 LEU 13 -13.794 31.443 9.397 99 2HD2 LEU 13 2HD2 LEU 13 -14.509 29.809 9.415 100 3HD2 LEU 13 3HD2 LEU 13 -13.418 30.296 10.690 101 H LEU 14 H LEU 14 -15.280 28.375 7.778 102 HA LEU 14 HA LEU 14 -17.252 29.683 5.952 103 1HB LEU 14 1HB LEU 14 -17.130 27.080 7.305 104 2HB LEU 14 2HB LEU 14 -18.264 27.940 8.202 105 HG LEU 14 HG LEU 14 -19.379 28.600 5.912 106 1HD1 LEU 14 1HD1 LEU 14 -18.820 27.217 3.917 107 2HD1 LEU 14 2HD1 LEU 14 -17.390 28.124 4.398 108 3HD1 LEU 14 3HD1 LEU 14 -17.529 26.426 4.795 109 1HD2 LEU 14 1HD2 LEU 14 -19.248 25.631 6.552 110 2HD2 LEU 14 2HD2 LEU 14 -20.291 26.827 7.348 111 3HD2 LEU 14 3HD2 LEU 14 -20.514 26.459 5.628 112 H GLY 15 H GLY 15 -16.434 29.415 9.361 113 1HA GLY 15 1HA GLY 15 -16.444 32.059 9.984 114 2HA GLY 15 2HA GLY 15 -18.183 31.817 9.847 115 H PHE 16 H PHE 16 -19.249 31.354 11.604 116 HA PHE 16 HA PHE 16 -17.834 30.998 14.118 117 1HB PHE 16 1HB PHE 16 -20.781 31.232 13.618 118 2HB PHE 16 2HB PHE 16 -19.950 31.523 15.104 119 HD1 PHE 16 HD1 PHE 16 -21.338 33.312 12.229 120 HD2 PHE 16 HD2 PHE 16 -17.827 33.502 14.836 121 HE1 PHE 16 HE1 PHE 16 -20.962 35.598 11.629 122 HE2 PHE 16 HE2 PHE 16 -17.522 35.784 14.184 123 HZ PHE 16 HZ PHE 16 -19.066 36.881 12.582 124 H GLU 17 H GLU 17 -19.198 29.620 15.736 125 HA GLU 17 HA GLU 17 -20.748 27.429 15.133 126 1HB GLU 17 1HB GLU 17 -18.914 26.317 14.095 127 2HB GLU 17 2HB GLU 17 -17.831 26.722 15.411 128 1HG GLU 17 1HG GLU 17 -18.427 24.388 15.509 129 2HG GLU 17 2HG GLU 17 -19.176 25.153 16.889 130 H LYS 18 H LYS 18 -21.229 26.241 17.212 131 HA LYS 18 HA LYS 18 -20.685 27.818 19.621 132 1HB LYS 18 1HB LYS 18 -23.020 27.322 20.195 133 2HB LYS 18 2HB LYS 18 -22.725 28.520 18.950 134 1HG LYS 18 1HG LYS 18 -23.213 25.747 17.933 135 2HG LYS 18 2HG LYS 18 -24.567 26.555 18.717 136 1HD LYS 18 1HD LYS 18 -24.510 28.419 17.256 137 2HD LYS 18 2HD LYS 18 -22.982 27.940 16.513 138 1HE LYS 18 1HE LYS 18 -25.453 26.163 16.395 139 2HE LYS 18 2HE LYS 18 -25.181 27.458 15.219 140 1HZ LYS 18 1HZ LYS 18 -23.202 25.332 15.698 141 2HZ LYS 18 2HZ LYS 18 -24.356 25.271 14.520 142 3HZ LYS 18 3HZ LYS 18 -23.209 26.449 14.510 143 H ARG 19 H ARG 19 -19.260 26.288 20.669 144 HA ARG 19 HA ARG 19 -20.332 23.599 21.391 145 1HB ARG 19 1HB ARG 19 -17.475 24.656 21.342 146 2HB ARG 19 2HB ARG 19 -17.963 23.080 21.973 147 1HG ARG 19 1HG ARG 19 -18.433 23.936 19.099 148 2HG ARG 19 2HG ARG 19 -16.973 23.099 19.634 149 1HD ARG 19 1HD ARG 19 -18.099 21.129 20.225 150 2HD ARG 19 2HD ARG 19 -19.699 21.863 20.184 151 HE ARG 19 HE ARG 19 -18.123 20.865 17.947 152 1HH1 ARG 19 1HH1 ARG 19 -20.714 23.153 18.850 153 2HH1 ARG 19 2HH1 ARG 19 -21.294 23.326 17.223 154 1HH2 ARG 19 1HH2 ARG 19 -19.034 20.962 15.848 155 2HH2 ARG 19 2HH2 ARG 19 -20.270 22.139 15.480 156 H PHE 20 H PHE 20 -21.544 24.050 23.208 157 HA PHE 20 HA PHE 20 -20.735 26.233 24.880 158 1HB PHE 20 1HB PHE 20 -22.768 24.001 25.569 159 2HB PHE 20 2HB PHE 20 -23.113 25.636 25.868 160 HD1 PHE 20 HD1 PHE 20 -23.545 22.767 23.389 161 HD2 PHE 20 HD2 PHE 20 -23.758 27.154 23.489 162 HE1 PHE 20 HE1 PHE 20 -24.789 22.805 21.387 163 HE2 PHE 20 HE2 PHE 20 -25.013 27.084 21.477 164 HZ PHE 20 HZ PHE 20 -25.562 24.928 20.374 165 H VAL 21 H VAL 21 -19.915 22.985 24.652 166 HA VAL 21 HA VAL 21 -19.306 22.777 27.444 167 HB VAL 21 HB VAL 21 -19.617 20.081 26.476 168 1HG1 VAL 21 1HG1 VAL 21 -20.752 21.137 28.493 169 2HG1 VAL 21 2HG1 VAL 21 -21.835 21.993 27.371 170 3HG1 VAL 21 3HG1 VAL 21 -21.879 20.218 27.462 171 1HG2 VAL 21 1HG2 VAL 21 -21.610 21.578 24.954 172 2HG2 VAL 21 2HG2 VAL 21 -20.063 20.894 24.325 173 3HG2 VAL 21 3HG2 VAL 21 -21.276 19.829 25.091 174 HA PRO 22 HA PRO 22 -17.980 20.757 28.309 175 1HB PRO 22 1HB PRO 22 -15.607 20.345 29.527 176 2HB PRO 22 2HB PRO 22 -16.146 19.349 28.145 177 1HG PRO 22 1HG PRO 22 -14.294 21.741 28.078 178 2HG PRO 22 2HG PRO 22 -14.040 20.138 27.329 179 1HD PRO 22 1HD PRO 22 -15.104 22.354 26.036 180 2HD PRO 22 2HD PRO 22 -15.515 20.681 25.540 181 H SER 23 H SER 23 -16.956 23.729 27.383 182 HA SER 23 HA SER 23 -17.526 25.008 29.890 183 1HB SER 23 1HB SER 23 -14.801 25.259 28.378 184 2HB SER 23 2HB SER 23 -15.313 26.520 29.485 185 HG SER 23 HG SER 23 -15.386 23.843 30.351 186 H GLN 24 H GLN 24 -17.867 27.467 29.497 187 HA GLN 24 HA GLN 24 -19.481 27.680 27.179 188 1HB GLN 24 1HB GLN 24 -18.737 29.883 29.047 189 2HB GLN 24 2HB GLN 24 -20.154 29.678 28.042 190 1HG GLN 24 1HG GLN 24 -19.630 27.969 30.654 191 2HG GLN 24 2HG GLN 24 -20.981 29.023 30.422 192 1HE2 GLN 24 1HE2 GLN 24 -19.839 25.911 30.152 193 2HE2 GLN 24 2HE2 GLN 24 -21.023 25.269 29.025 194 H HIS 25 H HIS 25 -18.463 28.195 25.092 195 HA HIS 25 HA HIS 25 -17.306 30.662 24.758 196 1HB HIS 25 1HB HIS 25 -15.154 29.524 23.820 197 2HB HIS 25 2HB HIS 25 -15.199 29.263 25.570 198 HD1 HIS 25 HD1 HIS 25 -17.057 26.603 25.288 199 HD2 HIS 25 HD2 HIS 25 -13.785 27.552 22.842 200 HE1 HIS 25 HE1 HIS 25 -16.252 24.467 24.252 201 H TYR 26 H TYR 26 -16.707 30.749 22.200 202 HA TYR 26 HA TYR 26 -18.201 28.670 20.766 203 1HB TYR 26 1HB TYR 26 -17.799 31.673 20.351 204 2HB TYR 26 2HB TYR 26 -18.026 30.688 18.964 205 HD1 TYR 26 HD1 TYR 26 -19.952 30.197 22.338 206 HD2 TYR 26 HD2 TYR 26 -20.271 31.362 18.146 207 HE1 TYR 26 HE1 TYR 26 -22.323 30.278 22.515 208 HE2 TYR 26 HE2 TYR 26 -22.678 31.430 18.391 209 HH TYR 26 HH TYR 26 -24.331 30.705 21.478 210 H VAL 27 H VAL 27 -17.476 28.368 18.496 211 HA VAL 27 HA VAL 27 -14.513 28.411 18.279 212 HB VAL 27 HB VAL 27 -14.442 26.045 17.926 213 1HG1 VAL 27 1HG1 VAL 27 -16.462 26.288 20.156 214 2HG1 VAL 27 2HG1 VAL 27 -15.228 25.042 19.918 215 3HG1 VAL 27 3HG1 VAL 27 -14.746 26.696 20.333 216 1HG2 VAL 27 1HG2 VAL 27 -16.274 25.678 16.474 217 2HG2 VAL 27 2HG2 VAL 27 -16.426 24.595 17.851 218 3HG2 VAL 27 3HG2 VAL 27 -17.433 26.064 17.789 219 H TYR 28 H TYR 28 -13.961 27.779 15.806 220 HA TYR 28 HA TYR 28 -15.896 29.172 14.209 221 1HB TYR 28 1HB TYR 28 -13.531 29.002 12.693 222 2HB TYR 28 2HB TYR 28 -14.262 30.368 13.524 223 HD1 TYR 28 HD1 TYR 28 -11.848 27.582 14.200 224 HD2 TYR 28 HD2 TYR 28 -13.144 31.588 15.044 225 HE1 TYR 28 HE1 TYR 28 -9.953 27.891 15.708 226 HE2 TYR 28 HE2 TYR 28 -11.206 31.920 16.558 227 HH TYR 28 HH TYR 28 -8.890 29.374 17.293 228 H MET 29 H MET 29 -16.891 28.221 12.503 229 HA MET 29 HA MET 29 -16.423 25.420 12.053 230 1HB MET 29 1HB MET 29 -18.547 26.411 11.927 231 2HB MET 29 2HB MET 29 -18.150 27.390 10.495 232 1HG MET 29 1HG MET 29 -18.893 24.489 10.895 233 2HG MET 29 2HG MET 29 -19.560 25.694 9.804 234 1HE MET 29 1HE MET 29 -16.275 22.716 9.056 235 2HE MET 29 2HE MET 29 -16.523 23.530 10.616 236 3HE MET 29 3HE MET 29 -17.794 22.484 9.941 237 H PHE 30 H PHE 30 -14.535 24.739 10.845 238 HA PHE 30 HA PHE 30 -13.253 26.565 9.106 239 1HB PHE 30 1HB PHE 30 -12.543 25.061 11.433 240 2HB PHE 30 2HB PHE 30 -12.154 24.006 10.125 241 HD1 PHE 30 HD1 PHE 30 -11.491 27.871 10.943 242 HD2 PHE 30 HD2 PHE 30 -9.859 24.123 9.429 243 HE1 PHE 30 HE1 PHE 30 -9.306 28.863 10.572 244 HE2 PHE 30 HE2 PHE 30 -7.705 25.206 9.125 245 HZ PHE 30 HZ PHE 30 -7.423 27.593 9.692 246 H LEU 31 H LEU 31 -12.833 25.780 6.842 247 HA LEU 31 HA LEU 31 -13.881 23.166 6.251 248 1HB LEU 31 1HB LEU 31 -14.091 25.831 4.961 249 2HB LEU 31 2HB LEU 31 -13.667 24.554 3.828 250 HG LEU 31 HG LEU 31 -16.059 24.954 3.923 251 1HD1 LEU 31 1HD1 LEU 31 -15.119 22.752 3.318 252 2HD1 LEU 31 2HD1 LEU 31 -15.337 22.210 4.999 253 3HD1 LEU 31 3HD1 LEU 31 -16.754 22.664 4.034 254 1HD2 LEU 31 1HD2 LEU 31 -17.419 24.392 5.829 255 2HD2 LEU 31 2HD2 LEU 31 -16.045 23.724 6.715 256 3HD2 LEU 31 3HD2 LEU 31 -16.122 25.465 6.415 257 H VAL 32 H VAL 32 -12.655 21.510 5.378 258 HA VAL 32 HA VAL 32 -10.026 22.366 4.366 259 HB VAL 32 HB VAL 32 -9.460 21.280 6.165 260 1HG1 VAL 32 1HG1 VAL 32 -11.596 20.410 6.919 261 2HG1 VAL 32 2HG1 VAL 32 -11.507 19.114 5.698 262 3HG1 VAL 32 3HG1 VAL 32 -10.329 19.181 7.031 263 1HG2 VAL 32 1HG2 VAL 32 -8.220 20.389 4.294 264 2HG2 VAL 32 2HG2 VAL 32 -8.544 19.053 5.429 265 3HG2 VAL 32 3HG2 VAL 32 -9.477 19.183 3.955 266 H LYS 33 H LYS 33 -9.425 21.665 2.283 267 HA LYS 33 HA LYS 33 -11.398 19.962 0.967 268 1HB LYS 33 1HB LYS 33 -10.796 22.641 0.242 269 2HB LYS 33 2HB LYS 33 -10.284 21.550 -1.064 270 1HG LYS 33 1HG LYS 33 -12.501 20.426 -0.982 271 2HG LYS 33 2HG LYS 33 -13.011 21.540 0.306 272 1HD LYS 33 1HD LYS 33 -12.726 23.446 -1.267 273 2HD LYS 33 2HD LYS 33 -12.326 22.314 -2.571 274 1HE LYS 33 1HE LYS 33 -14.940 22.394 -0.973 275 2HE LYS 33 2HE LYS 33 -14.721 23.089 -2.582 276 1HZ LYS 33 1HZ LYS 33 -14.386 20.232 -1.983 277 2HZ LYS 33 2HZ LYS 33 -15.767 20.887 -2.554 278 3HZ LYS 33 3HZ LYS 33 -14.396 20.940 -3.473 279 H TRP 34 H TRP 34 -10.662 17.970 0.449 280 HA TRP 34 HA TRP 34 -7.755 17.749 0.245 281 1HB TRP 34 1HB TRP 34 -9.908 15.658 0.448 282 2HB TRP 34 2HB TRP 34 -8.200 15.344 0.332 283 HD1 TRP 34 HD1 TRP 34 -10.620 17.051 2.818 284 HE1 TRP 34 HE1 TRP 34 -9.670 16.737 5.204 285 HE3 TRP 34 HE3 TRP 34 -6.252 14.741 1.637 286 HZ2 TRP 34 HZ2 TRP 34 -7.294 15.620 6.427 287 HZ3 TRP 34 HZ3 TRP 34 -4.643 14.066 3.421 288 HH2 TRP 34 HH2 TRP 34 -5.168 14.498 5.799 289 H GLN 35 H GLN 35 -6.816 16.569 -1.630 290 HA GLN 35 HA GLN 35 -8.427 17.143 -4.068 291 1HB GLN 35 1HB GLN 35 -6.256 17.037 -5.300 292 2HB GLN 35 2HB GLN 35 -5.703 17.653 -3.761 293 1HG GLN 35 1HG GLN 35 -5.624 14.714 -4.583 294 2HG GLN 35 2HG GLN 35 -4.344 15.901 -4.766 295 1HE2 GLN 35 1HE2 GLN 35 -6.130 13.964 -2.386 296 2HE2 GLN 35 2HE2 GLN 35 -5.088 14.396 -1.036 297 H ASP 36 H ASP 36 -8.277 14.616 -2.032 298 HA ASP 36 HA ASP 36 -9.159 12.708 -4.104 299 1HB ASP 36 1HB ASP 36 -6.848 12.042 -3.099 300 2HB ASP 36 2HB ASP 36 -7.473 12.265 -1.485 301 H LEU 37 H LEU 37 -9.181 13.001 -0.534 302 HA LEU 37 HA LEU 37 -11.775 11.916 -0.241 303 1HB LEU 37 1HB LEU 37 -10.244 13.815 1.561 304 2HB LEU 37 2HB LEU 37 -11.733 13.005 2.003 305 HG LEU 37 HG LEU 37 -9.932 11.955 3.055 306 1HD1 LEU 37 1HD1 LEU 37 -10.803 10.048 0.863 307 2HD1 LEU 37 2HD1 LEU 37 -10.163 9.633 2.462 308 3HD1 LEU 37 3HD1 LEU 37 -11.733 10.442 2.333 309 1HD2 LEU 37 1HD2 LEU 37 -8.625 11.210 0.431 310 2HD2 LEU 37 2HD2 LEU 37 -8.128 12.597 1.438 311 3HD2 LEU 37 3HD2 LEU 37 -8.028 10.943 2.072 312 H SER 38 H SER 38 -10.995 14.924 -1.576 313 HA SER 38 HA SER 38 -12.289 16.779 -2.187 314 1HB SER 38 1HB SER 38 -14.606 14.710 -1.714 315 2HB SER 38 2HB SER 38 -14.763 16.178 -2.644 316 HG SER 38 HG SER 38 -12.902 14.100 -3.171 317 H GLU 39 H GLU 39 -14.860 17.583 -1.127 318 HA GLU 39 HA GLU 39 -13.813 19.055 0.911 319 1HB GLU 39 1HB GLU 39 -16.500 19.706 1.297 320 2HB GLU 39 2HB GLU 39 -15.719 20.180 -0.171 321 1HG GLU 39 1HG GLU 39 -16.696 17.825 -1.070 322 2HG GLU 39 2HG GLU 39 -17.737 18.044 0.332 323 H LYS 40 H LYS 40 -13.892 19.121 3.177 324 HA LYS 40 HA LYS 40 -15.387 17.104 4.600 325 1HB LYS 40 1HB LYS 40 -12.333 17.287 4.592 326 2HB LYS 40 2HB LYS 40 -13.235 16.505 5.894 327 1HG LYS 40 1HG LYS 40 -13.321 15.643 2.977 328 2HG LYS 40 2HG LYS 40 -12.275 14.932 4.192 329 1HD LYS 40 1HD LYS 40 -14.025 14.015 5.460 330 2HD LYS 40 2HD LYS 40 -15.271 14.999 4.708 331 1HE LYS 40 1HE LYS 40 -13.787 12.732 3.334 332 2HE LYS 40 2HE LYS 40 -15.445 12.724 3.954 333 1HZ LYS 40 1HZ LYS 40 -14.394 14.106 1.625 334 2HZ LYS 40 2HZ LYS 40 -15.751 13.200 1.771 335 3HZ LYS 40 3HZ LYS 40 -15.696 14.743 2.381 336 H VAL 41 H VAL 41 -15.778 17.913 6.812 337 HA VAL 41 HA VAL 41 -15.048 20.737 7.045 338 HB VAL 41 HB VAL 41 -17.107 21.183 7.784 339 1HG1 VAL 41 1HG1 VAL 41 -17.086 20.442 5.404 340 2HG1 VAL 41 2HG1 VAL 41 -17.721 18.870 5.924 341 3HG1 VAL 41 3HG1 VAL 41 -18.666 20.343 6.193 342 1HG2 VAL 41 1HG2 VAL 41 -17.318 19.661 9.630 343 2HG2 VAL 41 2HG2 VAL 41 -18.758 19.531 8.613 344 3HG2 VAL 41 3HG2 VAL 41 -17.492 18.275 8.524 345 H VAL 42 H VAL 42 -14.389 21.580 9.159 346 HA VAL 42 HA VAL 42 -14.238 19.623 11.311 347 HB VAL 42 HB VAL 42 -11.917 19.894 11.810 348 1HG1 VAL 42 1HG1 VAL 42 -10.761 18.882 9.928 349 2HG1 VAL 42 2HG1 VAL 42 -12.390 18.200 10.102 350 3HG1 VAL 42 3HG1 VAL 42 -12.058 19.381 8.828 351 1HG2 VAL 42 1HG2 VAL 42 -10.325 21.171 10.385 352 2HG2 VAL 42 2HG2 VAL 42 -11.707 21.851 9.501 353 3HG2 VAL 42 3HG2 VAL 42 -11.476 22.193 11.243 354 H TYR 43 H TYR 43 -13.978 20.682 13.438 355 HA TYR 43 HA TYR 43 -14.868 23.457 13.328 356 1HB TYR 43 1HB TYR 43 -14.965 21.574 15.584 357 2HB TYR 43 2HB TYR 43 -15.912 23.001 15.334 358 HD1 TYR 43 HD1 TYR 43 -15.509 19.364 13.727 359 HD2 TYR 43 HD2 TYR 43 -18.196 22.802 13.994 360 HE1 TYR 43 HE1 TYR 43 -17.186 18.225 12.562 361 HE2 TYR 43 HE2 TYR 43 -19.819 21.585 12.830 362 HH TYR 43 HH TYR 43 -20.386 19.602 11.773 363 H ARG 44 H ARG 44 -13.533 24.960 14.467 364 HA ARG 44 HA ARG 44 -11.231 23.788 15.993 365 1HB ARG 44 1HB ARG 44 -10.893 24.803 13.375 366 2HB ARG 44 2HB ARG 44 -10.380 26.108 14.411 367 1HG ARG 44 1HG ARG 44 -8.462 24.975 13.909 368 2HG ARG 44 2HG ARG 44 -8.799 24.579 15.599 369 1HD ARG 44 1HD ARG 44 -9.677 22.783 13.322 370 2HD ARG 44 2HD ARG 44 -8.013 22.722 13.920 371 HE ARG 44 HE ARG 44 -9.372 22.490 16.253 372 1HH1 ARG 44 1HH1 ARG 44 -9.725 20.739 13.204 373 2HH1 ARG 44 2HH1 ARG 44 -10.755 19.521 13.904 374 1HH2 ARG 44 1HH2 ARG 44 -10.425 20.820 17.195 375 2HH2 ARG 44 2HH2 ARG 44 -11.001 19.444 16.288 376 H ARG 45 H ARG 45 -10.085 25.372 17.404 377 HA ARG 45 HA ARG 45 -11.538 27.821 18.038 378 1HB ARG 45 1HB ARG 45 -11.778 27.208 20.444 379 2HB ARG 45 2HB ARG 45 -12.761 26.242 19.340 380 1HG ARG 45 1HG ARG 45 -11.158 24.410 19.423 381 2HG ARG 45 2HG ARG 45 -10.128 25.323 20.547 382 1HD ARG 45 1HD ARG 45 -11.684 25.087 22.317 383 2HD ARG 45 2HD ARG 45 -13.032 24.865 21.208 384 HE ARG 45 HE ARG 45 -10.860 22.828 21.596 385 1HH1 ARG 45 1HH1 ARG 45 -14.384 23.436 21.494 386 2HH1 ARG 45 2HH1 ARG 45 -14.692 21.828 20.842 387 1HH2 ARG 45 1HH2 ARG 45 -11.404 20.791 20.624 388 2HH2 ARG 45 2HH2 ARG 45 -13.093 20.341 20.577 389 H PHE 46 H PHE 46 -10.438 29.029 19.841 390 HA PHE 46 HA PHE 46 -7.867 29.681 19.136 391 1HB PHE 46 1HB PHE 46 -7.842 30.918 21.330 392 2HB PHE 46 2HB PHE 46 -9.146 31.266 20.217 393 HD1 PHE 46 HD1 PHE 46 -8.305 29.889 23.529 394 HD2 PHE 46 HD2 PHE 46 -11.484 30.596 20.690 395 HE1 PHE 46 HE1 PHE 46 -9.991 29.496 25.301 396 HE2 PHE 46 HE2 PHE 46 -13.153 30.203 22.465 397 HZ PHE 46 HZ PHE 46 -12.415 29.650 24.777 398 H THR 47 H THR 47 -8.633 27.924 22.133 399 HA THR 47 HA THR 47 -5.965 27.370 22.879 400 HB THR 47 HB THR 47 -7.874 27.196 24.404 401 HG1 THR 47 HG1 THR 47 -7.207 25.270 25.390 402 1HG2 THR 47 1HG2 THR 47 -8.607 24.646 22.886 403 2HG2 THR 47 2HG2 THR 47 -9.345 25.224 24.391 404 3HG2 THR 47 3HG2 THR 47 -9.553 26.154 22.900 405 H GLU 48 H GLU 48 -7.800 25.814 20.367 406 HA GLU 48 HA GLU 48 -5.996 23.493 20.229 407 1HB GLU 48 1HB GLU 48 -8.430 24.446 18.621 408 2HB GLU 48 2HB GLU 48 -7.384 23.194 18.147 409 1HG GLU 48 1HG GLU 48 -8.035 21.931 20.327 410 2HG GLU 48 2HG GLU 48 -9.184 23.232 20.638 411 H ILE 49 H ILE 49 -6.660 26.486 18.380 412 HA ILE 49 HA ILE 49 -4.607 25.888 16.424 413 HB ILE 49 HB ILE 49 -5.786 28.531 17.347 414 1HG1 ILE 49 1HG1 ILE 49 -6.056 28.668 14.802 415 2HG1 ILE 49 2HG1 ILE 49 -5.653 26.956 14.717 416 1HG2 ILE 49 1HG2 ILE 49 -3.534 29.176 17.162 417 2HG2 ILE 49 2HG2 ILE 49 -3.281 28.175 15.726 418 3HG2 ILE 49 3HG2 ILE 49 -4.285 29.640 15.647 419 1HD1 ILE 49 1HD1 ILE 49 -7.708 26.517 16.168 420 2HD1 ILE 49 2HD1 ILE 49 -7.944 28.270 16.176 421 3HD1 ILE 49 3HD1 ILE 49 -8.093 27.354 14.669 422 H TYR 50 H TYR 50 -4.557 27.410 19.650 423 HA TYR 50 HA TYR 50 -1.724 27.903 19.674 424 1HB TYR 50 1HB TYR 50 -3.548 27.316 22.063 425 2HB TYR 50 2HB TYR 50 -2.041 28.157 22.109 426 HD1 TYR 50 HD1 TYR 50 -4.838 29.372 23.144 427 HD2 TYR 50 HD2 TYR 50 -2.839 29.836 19.287 428 HE1 TYR 50 HE1 TYR 50 -5.977 31.447 22.748 429 HE2 TYR 50 HE2 TYR 50 -4.000 31.874 18.958 430 HH TYR 50 HH TYR 50 -5.374 33.470 19.851 431 H GLU 51 H GLU 51 -3.606 25.212 21.078 432 HA GLU 51 HA GLU 51 -1.309 23.852 22.042 433 1HB GLU 51 1HB GLU 51 -3.391 23.124 22.832 434 2HB GLU 51 2HB GLU 51 -3.988 22.707 21.217 435 1HG GLU 51 1HG GLU 51 -1.602 21.344 22.536 436 2HG GLU 51 2HG GLU 51 -3.269 20.789 22.732 437 H PHE 52 H PHE 52 -2.864 23.677 18.861 438 HA PHE 52 HA PHE 52 -1.237 21.714 17.637 439 1HB PHE 52 1HB PHE 52 -3.111 22.626 16.417 440 2HB PHE 52 2HB PHE 52 -2.509 24.230 16.454 441 HD1 PHE 52 HD1 PHE 52 -2.209 20.958 14.827 442 HD2 PHE 52 HD2 PHE 52 -0.273 24.871 14.707 443 HE1 PHE 52 HE1 PHE 52 -1.153 20.389 12.781 444 HE2 PHE 52 HE2 PHE 52 0.751 24.194 12.634 445 HZ PHE 52 HZ PHE 52 0.348 22.028 11.628 446 H HIS 53 H HIS 53 -0.925 25.204 17.363 447 HA HIS 53 HA HIS 53 1.531 25.180 16.118 448 1HB HIS 53 1HB HIS 53 -0.217 26.997 16.330 449 2HB HIS 53 2HB HIS 53 0.455 27.404 17.928 450 HD1 HIS 53 HD1 HIS 53 1.788 26.448 14.561 451 HD2 HIS 53 HD2 HIS 53 2.272 29.613 17.235 452 HE1 HIS 53 HE1 HIS 53 3.356 27.891 13.495 453 H LYS 54 H LYS 54 0.763 25.264 19.428 454 HA LYS 54 HA LYS 54 3.459 25.637 20.428 455 1HB LYS 54 1HB LYS 54 0.943 24.521 21.680 456 2HB LYS 54 2HB LYS 54 2.480 24.527 22.548 457 1HG LYS 54 1HG LYS 54 2.691 26.915 22.433 458 2HG LYS 54 2HG LYS 54 1.300 27.062 21.347 459 1HD LYS 54 1HD LYS 54 -0.184 26.157 23.125 460 2HD LYS 54 2HD LYS 54 1.211 26.027 24.218 461 1HE LYS 54 1HE LYS 54 1.557 28.476 24.096 462 2HE LYS 54 2HE LYS 54 0.215 28.627 22.949 463 1HZ LYS 54 1HZ LYS 54 -0.456 29.172 25.161 464 2HZ LYS 54 2HZ LYS 54 -1.255 27.824 24.659 465 3HZ LYS 54 3HZ LYS 54 -0.009 27.693 25.728 466 H THR 55 H THR 55 1.560 22.802 19.539 467 HA THR 55 HA THR 55 3.627 20.924 20.450 468 HB THR 55 HB THR 55 1.185 20.516 18.693 469 HG1 THR 55 HG1 THR 55 0.250 20.027 20.576 470 1HG2 THR 55 1HG2 THR 55 1.499 18.126 19.181 471 2HG2 THR 55 2HG2 THR 55 2.709 18.826 18.106 472 3HG2 THR 55 3HG2 THR 55 3.129 18.508 19.810 473 H LEU 56 H LEU 56 2.904 22.527 17.415 474 HA LEU 56 HA LEU 56 4.889 21.106 15.991 475 1HB LEU 56 1HB LEU 56 3.152 22.893 15.088 476 2HB LEU 56 2HB LEU 56 4.265 24.107 15.619 477 HG LEU 56 HG LEU 56 4.245 23.829 13.318 478 1HD1 LEU 56 1HD1 LEU 56 6.918 23.109 14.510 479 2HD1 LEU 56 2HD1 LEU 56 6.652 23.839 12.936 480 3HD1 LEU 56 3HD1 LEU 56 6.223 24.738 14.410 481 1HD2 LEU 56 1HD2 LEU 56 4.348 21.778 12.259 482 2HD2 LEU 56 2HD2 LEU 56 6.007 21.613 12.802 483 3HD2 LEU 56 3HD2 LEU 56 4.698 20.949 13.779 484 H LYS 57 H LYS 57 5.067 24.145 17.839 485 HA LYS 57 HA LYS 57 7.902 24.298 17.495 486 1HB LYS 57 1HB LYS 57 6.190 25.288 19.845 487 2HB LYS 57 2HB LYS 57 7.805 25.851 19.474 488 1HG LYS 57 1HG LYS 57 5.240 26.859 18.590 489 2HG LYS 57 2HG LYS 57 6.830 27.595 18.588 490 1HD LYS 57 1HD LYS 57 6.986 25.970 16.327 491 2HD LYS 57 2HD LYS 57 5.276 26.366 16.365 492 1HE LYS 57 1HE LYS 57 7.613 28.338 16.402 493 2HE LYS 57 2HE LYS 57 6.562 28.000 15.024 494 1HZ LYS 57 1HZ LYS 57 4.755 28.964 16.187 495 2HZ LYS 57 2HZ LYS 57 5.629 29.123 17.578 496 3HZ LYS 57 3HZ LYS 57 5.991 30.033 16.261 497 H GLU 58 H GLU 58 6.104 22.363 19.722 498 HA GLU 58 HA GLU 58 8.352 22.032 21.491 499 1HB GLU 58 1HB GLU 58 5.672 20.500 21.223 500 2HB GLU 58 2HB GLU 58 6.849 20.007 22.364 501 1HG GLU 58 1HG GLU 58 6.126 23.033 22.430 502 2HG GLU 58 2HG GLU 58 4.994 21.921 23.149 503 H MET 59 H MET 59 6.658 19.897 19.090 504 HA MET 59 HA MET 59 8.630 17.868 19.274 505 1HB MET 59 1HB MET 59 6.918 18.598 16.929 506 2HB MET 59 2HB MET 59 7.636 17.041 17.202 507 1HG MET 59 1HG MET 59 6.104 16.608 19.101 508 2HG MET 59 2HG MET 59 5.359 18.182 18.891 509 1HE MET 59 1HE MET 59 3.671 17.717 15.309 510 2HE MET 59 2HE MET 59 4.148 18.930 16.519 511 3HE MET 59 3HE MET 59 5.364 18.147 15.522 512 H PHE 60 H PHE 60 8.161 20.545 16.901 513 HA PHE 60 HA PHE 60 10.768 20.010 15.709 514 1HB PHE 60 1HB PHE 60 8.602 21.903 14.938 515 2HB PHE 60 2HB PHE 60 10.095 21.598 14.174 516 HD1 PHE 60 HD1 PHE 60 6.543 20.076 14.650 517 HD2 PHE 60 HD2 PHE 60 10.475 19.223 12.926 518 HE1 PHE 60 HE1 PHE 60 5.667 18.275 13.365 519 HE2 PHE 60 HE2 PHE 60 9.511 17.435 11.701 520 HZ PHE 60 HZ PHE 60 7.091 16.920 11.883 521 HA PRO 61 HA PRO 61 11.327 23.868 18.466 522 1HB PRO 61 1HB PRO 61 13.842 23.662 19.394 523 2HB PRO 61 2HB PRO 61 12.503 22.682 20.068 524 1HG PRO 61 1HG PRO 61 14.559 21.848 18.020 525 2HG PRO 61 2HG PRO 61 14.031 20.953 19.473 526 1HD PRO 61 1HD PRO 61 13.106 20.557 16.952 527 2HD PRO 61 2HD PRO 61 12.081 20.222 18.419 528 H ILE 62 H ILE 62 13.088 22.606 15.789 529 HA ILE 62 HA ILE 62 14.670 24.892 15.109 530 HB ILE 62 HB ILE 62 13.504 22.736 13.366 531 1HG1 ILE 62 1HG1 ILE 62 14.807 21.581 15.077 532 2HG1 ILE 62 2HG1 ILE 62 15.671 21.526 13.544 533 1HG2 ILE 62 1HG2 ILE 62 15.793 24.499 12.792 534 2HG2 ILE 62 2HG2 ILE 62 15.224 23.125 11.796 535 3HG2 ILE 62 3HG2 ILE 62 14.172 24.519 12.038 536 1HD1 ILE 62 1HD1 ILE 62 17.134 23.404 14.314 537 2HD1 ILE 62 2HD1 ILE 62 16.274 23.407 15.874 538 3HD1 ILE 62 3HD1 ILE 62 17.210 21.990 15.377 539 H GLU 63 H GLU 63 11.432 23.626 14.217 540 HA GLU 63 HA GLU 63 10.860 25.813 12.452 541 1HB GLU 63 1HB GLU 63 9.028 23.850 13.830 542 2HB GLU 63 2HB GLU 63 8.558 25.028 12.600 543 1HG GLU 63 1HG GLU 63 10.428 23.990 11.118 544 2HG GLU 63 2HG GLU 63 10.442 22.654 12.253 545 H ALA 64 H ALA 64 11.405 25.848 15.736 546 HA ALA 64 HA ALA 64 10.012 28.385 16.015 547 1HB ALA 64 1HB ALA 64 8.851 26.463 17.299 548 2HB ALA 64 2HB ALA 64 10.337 26.283 18.231 549 3HB ALA 64 3HB ALA 64 9.404 27.795 18.343 550 H GLY 65 H GLY 65 12.714 27.659 15.212 551 1HA GLY 65 1HA GLY 65 14.097 29.342 17.133 552 2HA GLY 65 2HA GLY 65 14.707 27.658 16.969 553 H ALA 66 H ALA 66 14.654 27.111 14.338 554 HA ALA 66 HA ALA 66 16.520 29.094 13.310 555 1HB ALA 66 1HB ALA 66 15.615 26.535 11.967 556 2HB ALA 66 2HB ALA 66 17.056 27.486 11.581 557 3HB ALA 66 3HB ALA 66 16.988 26.593 13.116 558 H ILE 67 H ILE 67 13.268 28.233 13.142 559 HA ILE 67 HA ILE 67 12.877 29.972 10.719 560 HB ILE 67 HB ILE 67 10.953 27.921 11.833 561 1HG1 ILE 67 1HG1 ILE 67 13.254 27.734 9.810 562 2HG1 ILE 67 2HG1 ILE 67 12.959 26.697 11.214 563 1HG2 ILE 67 1HG2 ILE 67 9.877 29.570 10.358 564 2HG2 ILE 67 2HG2 ILE 67 11.140 29.321 9.131 565 3HG2 ILE 67 3HG2 ILE 67 9.974 28.038 9.539 566 1HD1 ILE 67 1HD1 ILE 67 10.921 25.838 10.031 567 2HD1 ILE 67 2HD1 ILE 67 11.530 26.667 8.568 568 3HD1 ILE 67 3HD1 ILE 67 12.492 25.392 9.334 569 H ASN 68 H ASN 68 13.026 30.361 13.846 570 HA ASN 68 HA ASN 68 10.645 32.099 13.990 571 1HB ASN 68 1HB ASN 68 12.164 30.703 15.986 572 2HB ASN 68 2HB ASN 68 12.137 32.419 16.380 573 1HD2 ASN 68 1HD2 ASN 68 9.687 30.320 14.738 574 2HD2 ASN 68 2HD2 ASN 68 8.390 30.712 15.849 575 HA PRO 69 HA PRO 69 13.450 35.701 14.173 576 1HB PRO 69 1HB PRO 69 16.112 35.652 13.450 577 2HB PRO 69 2HB PRO 69 15.571 35.186 15.092 578 1HG PRO 69 1HG PRO 69 16.242 33.366 12.776 579 2HG PRO 69 2HG PRO 69 16.692 33.187 14.488 580 1HD PRO 69 1HD PRO 69 14.533 31.906 13.304 581 2HD PRO 69 2HD PRO 69 14.565 32.340 15.053 582 H GLU 70 H GLU 70 14.653 33.728 11.547 583 HA GLU 70 HA GLU 70 14.427 35.863 9.631 584 1HB GLU 70 1HB GLU 70 14.915 32.818 9.538 585 2HB GLU 70 2HB GLU 70 14.274 33.490 8.082 586 1HG GLU 70 1HG GLU 70 16.025 35.315 8.024 587 2HG GLU 70 2HG GLU 70 16.649 34.827 9.578 588 H ASN 71 H ASN 71 12.220 33.407 10.816 589 HA ASN 71 HA ASN 71 10.117 34.676 9.137 590 1HB ASN 71 1HB ASN 71 10.850 31.880 9.309 591 2HB ASN 71 2HB ASN 71 9.390 32.033 10.271 592 1HD2 ASN 71 1HD2 ASN 71 9.548 30.517 7.925 593 2HD2 ASN 71 2HD2 ASN 71 8.440 31.249 6.777 594 H ARG 72 H ARG 72 11.010 36.014 11.275 595 HA ARG 72 HA ARG 72 9.253 35.571 13.579 596 1HB ARG 72 1HB ARG 72 11.524 36.782 13.580 597 2HB ARG 72 2HB ARG 72 10.676 38.162 12.874 598 1HG ARG 72 1HG ARG 72 9.139 38.055 14.932 599 2HG ARG 72 2HG ARG 72 10.213 36.803 15.567 600 1HD ARG 72 1HD ARG 72 10.963 39.689 14.884 601 2HD ARG 72 2HD ARG 72 10.748 39.009 16.487 602 HE ARG 72 HE ARG 72 12.747 37.856 16.389 603 1HH1 ARG 72 1HH1 ARG 72 12.226 39.527 13.293 604 2HH1 ARG 72 2HH1 ARG 72 13.876 39.347 12.776 605 1HH2 ARG 72 1HH2 ARG 72 14.926 37.695 15.724 606 2HH2 ARG 72 2HH2 ARG 72 15.426 38.336 14.184 607 H ILE 73 H ILE 73 7.680 35.378 11.457 608 HA ILE 73 HA ILE 73 5.747 37.530 11.689 609 HB ILE 73 HB ILE 73 5.389 37.259 9.150 610 1HG1 ILE 73 1HG1 ILE 73 7.312 35.453 9.041 611 2HG1 ILE 73 2HG1 ILE 73 6.956 36.553 7.715 612 1HG2 ILE 73 1HG2 ILE 73 5.963 39.346 10.207 613 2HG2 ILE 73 2HG2 ILE 73 7.688 38.948 10.164 614 3HG2 ILE 73 3HG2 ILE 73 6.786 39.180 8.650 615 1HD1 ILE 73 1HD1 ILE 73 9.288 36.935 9.646 616 2HD1 ILE 73 2HD1 ILE 73 9.362 36.352 7.980 617 3HD1 ILE 73 3HD1 ILE 73 8.878 38.001 8.299 618 H ILE 74 H ILE 74 6.411 34.518 12.427 619 HA ILE 74 HA ILE 74 4.214 33.053 11.239 620 HB ILE 74 HB ILE 74 5.901 32.545 13.716 621 1HG1 ILE 74 1HG1 ILE 74 6.088 30.801 11.279 622 2HG1 ILE 74 2HG1 ILE 74 6.867 32.365 11.202 623 1HG2 ILE 74 1HG2 ILE 74 4.979 30.226 13.628 624 2HG2 ILE 74 2HG2 ILE 74 3.656 31.384 13.829 625 3HG2 ILE 74 3HG2 ILE 74 3.968 30.651 12.250 626 1HD1 ILE 74 1HD1 ILE 74 8.395 30.536 11.988 627 2HD1 ILE 74 2HD1 ILE 74 8.271 31.846 13.164 628 3HD1 ILE 74 3HD1 ILE 74 7.411 30.322 13.430 629 HA PRO 75 HA PRO 75 1.387 35.338 13.644 630 1HB PRO 75 1HB PRO 75 -0.971 33.967 13.514 631 2HB PRO 75 2HB PRO 75 -0.197 34.850 12.177 632 1HG PRO 75 1HG PRO 75 0.028 31.907 12.789 633 2HG PRO 75 2HG PRO 75 -0.322 32.726 11.223 634 1HD PRO 75 1HD PRO 75 2.171 31.871 11.845 635 2HD PRO 75 2HD PRO 75 1.888 33.407 10.950 636 H HIS 76 H HIS 76 2.679 34.854 15.739 637 HA HIS 76 HA HIS 76 1.872 32.657 17.452 638 1HB HIS 76 1HB HIS 76 3.544 35.095 18.106 639 2HB HIS 76 2HB HIS 76 3.330 33.649 19.108 640 HD1 HIS 76 HD1 HIS 76 6.032 34.846 17.596 641 HD2 HIS 76 HD2 HIS 76 3.814 31.418 16.707 642 HE1 HIS 76 HE1 HIS 76 7.573 33.256 16.359 643 H LEU 77 H LEU 77 1.705 35.931 18.362 644 HA LEU 77 HA LEU 77 0.269 37.229 19.489 645 1HB LEU 77 1HB LEU 77 -1.706 35.670 17.797 646 2HB LEU 77 2HB LEU 77 -2.168 37.117 18.674 647 HG LEU 77 HG LEU 77 0.119 37.081 16.646 648 1HD1 LEU 77 1HD1 LEU 77 -2.759 37.924 16.179 649 2HD1 LEU 77 2HD1 LEU 77 -1.413 38.046 15.030 650 3HD1 LEU 77 3HD1 LEU 77 -1.985 36.451 15.540 651 1HD2 LEU 77 1HD2 LEU 77 0.213 39.006 18.199 652 2HD2 LEU 77 2HD2 LEU 77 -0.300 39.537 16.597 653 3HD2 LEU 77 3HD2 LEU 77 -1.502 39.353 17.890 654 HA PRO 78 HA PRO 78 -1.046 35.340 23.207 655 1HB PRO 78 1HB PRO 78 -2.562 37.257 24.424 656 2HB PRO 78 2HB PRO 78 -0.829 37.489 24.069 657 1HG PRO 78 1HG PRO 78 -3.195 38.400 22.411 658 2HG PRO 78 2HG PRO 78 -1.816 39.387 22.981 659 1HD PRO 78 1HD PRO 78 -1.862 38.302 20.492 660 2HD PRO 78 2HD PRO 78 -0.345 38.394 21.427 661 H ALA 79 H ALA 79 -3.188 35.159 24.645 662 HA ALA 79 HA ALA 79 -5.157 33.739 22.996 663 1HB ALA 79 1HB ALA 79 -4.668 33.846 25.993 664 2HB ALA 79 2HB ALA 79 -5.832 32.772 25.196 665 3HB ALA 79 3HB ALA 79 -4.108 32.594 24.865 666 HA PRO 80 HA PRO 80 -8.217 36.905 23.394 667 1HB PRO 80 1HB PRO 80 -10.583 35.626 23.183 668 2HB PRO 80 2HB PRO 80 -9.347 35.520 21.902 669 1HG PRO 80 1HG PRO 80 -9.786 33.543 24.166 670 2HG PRO 80 2HG PRO 80 -9.769 33.188 22.414 671 1HD PRO 80 1HD PRO 80 -7.553 32.897 23.914 672 2HD PRO 80 2HD PRO 80 -7.454 33.565 22.260 673 H LYS 81 H LYS 81 -7.124 36.649 25.876 674 HA LYS 81 HA LYS 81 -9.337 37.440 27.575 675 1HB LYS 81 1HB LYS 81 -8.865 35.830 29.377 676 2HB LYS 81 2HB LYS 81 -9.385 35.046 27.893 677 1HG LYS 81 1HG LYS 81 -7.711 33.644 28.656 678 2HG LYS 81 2HG LYS 81 -6.966 34.541 27.352 679 1HD LYS 81 1HD LYS 81 -5.422 34.250 29.213 680 2HD LYS 81 2HD LYS 81 -5.740 35.956 28.963 681 1HE LYS 81 1HE LYS 81 -5.658 35.358 31.351 682 2HE LYS 81 2HE LYS 81 -7.233 36.020 30.923 683 1HZ LYS 81 1HZ LYS 81 -7.422 34.099 32.302 684 2HZ LYS 81 2HZ LYS 81 -8.087 33.793 30.830 685 3HZ LYS 81 3HZ LYS 81 -6.612 33.162 31.216 686 H TRP 82 H TRP 82 -6.666 38.345 26.383 687 HA TRP 82 HA TRP 82 -5.293 39.354 28.806 688 1HB TRP 82 1HB TRP 82 -4.720 39.437 25.819 689 2HB TRP 82 2HB TRP 82 -3.816 40.367 27.008 690 HD1 TRP 82 HD1 TRP 82 -4.755 36.598 26.757 691 HE1 TRP 82 HE1 TRP 82 -2.647 35.199 27.266 692 HE3 TRP 82 HE3 TRP 82 -1.413 40.392 27.597 693 HZ2 TRP 82 HZ2 TRP 82 0.082 35.656 27.938 694 HZ3 TRP 82 HZ3 TRP 82 0.934 39.869 28.171 695 HH2 TRP 82 HH2 TRP 82 1.694 37.510 28.347 696 H PHE 83 H PHE 83 -7.436 40.250 26.148 697 HA PHE 83 HA PHE 83 -7.801 42.977 27.292 698 1HB PHE 83 1HB PHE 83 -7.836 42.270 24.363 699 2HB PHE 83 2HB PHE 83 -7.832 43.885 25.098 700 HD1 PHE 83 HD1 PHE 83 -5.690 44.643 26.324 701 HD2 PHE 83 HD2 PHE 83 -5.823 41.204 23.720 702 HE1 PHE 83 HE1 PHE 83 -3.221 44.714 26.094 703 HE2 PHE 83 HE2 PHE 83 -3.359 41.280 23.500 704 HZ PHE 83 HZ PHE 83 -2.051 43.033 24.684 705 H ASP 84 H ASP 84 -9.327 40.682 27.913 706 HA ASP 84 HA ASP 84 -11.504 39.775 26.790 707 1HB ASP 84 1HB ASP 84 -10.878 39.608 29.293 708 2HB ASP 84 2HB ASP 84 -11.581 41.190 29.549 709 H GLY 85 H GLY 85 -12.339 41.096 25.082 710 1HA GLY 85 1HA GLY 85 -14.698 42.415 25.351 711 2HA GLY 85 2HA GLY 85 -13.451 43.686 25.446 712 H GLN 86 H GLN 86 -13.938 44.515 23.262 713 HA GLN 86 HA GLN 86 -14.108 42.863 20.942 714 1HB GLN 86 1HB GLN 86 -13.369 45.810 21.276 715 2HB GLN 86 2HB GLN 86 -13.735 45.036 19.722 716 1HG GLN 86 1HG GLN 86 -15.998 44.467 20.492 717 2HG GLN 86 2HG GLN 86 -15.689 45.231 22.062 718 1HE2 GLN 86 1HE2 GLN 86 -17.824 45.964 20.263 719 2HE2 GLN 86 2HE2 GLN 86 -17.523 47.622 19.781 720 H ARG 87 H ARG 87 -11.381 43.831 22.760 721 HA ARG 87 HA ARG 87 -9.550 43.271 20.513 722 1HB ARG 87 1HB ARG 87 -9.346 44.349 23.403 723 2HB ARG 87 2HB ARG 87 -7.890 43.707 22.680 724 1HG ARG 87 1HG ARG 87 -9.530 45.807 21.220 725 2HG ARG 87 2HG ARG 87 -8.373 46.249 22.483 726 1HD ARG 87 1HD ARG 87 -7.704 44.643 19.993 727 2HD ARG 87 2HD ARG 87 -7.349 46.363 20.236 728 HE ARG 87 HE ARG 87 -6.176 45.265 22.422 729 1HH1 ARG 87 1HH1 ARG 87 -5.833 44.586 18.966 730 2HH1 ARG 87 2HH1 ARG 87 -4.293 43.790 19.135 731 1HH2 ARG 87 1HH2 ARG 87 -4.168 44.211 22.661 732 2HH2 ARG 87 2HH2 ARG 87 -3.304 43.637 21.264 733 H ALA 88 H ALA 88 -11.245 41.472 22.727 734 HA ALA 88 HA ALA 88 -9.263 39.288 22.852 735 1HB ALA 88 1HB ALA 88 -10.534 39.645 24.853 736 2HB ALA 88 2HB ALA 88 -12.073 39.407 23.971 737 3HB ALA 88 3HB ALA 88 -10.925 38.077 24.129 738 H ALA 89 H ALA 89 -12.156 40.407 21.339 739 HA ALA 89 HA ALA 89 -12.851 38.054 19.818 740 1HB ALA 89 1HB ALA 89 -13.609 40.969 19.378 741 2HB ALA 89 2HB ALA 89 -14.348 39.560 18.596 742 3HB ALA 89 3HB ALA 89 -14.508 39.788 20.349 743 H GLU 90 H GLU 90 -11.507 41.177 18.842 744 HA GLU 90 HA GLU 90 -10.612 40.379 16.253 745 1HB GLU 90 1HB GLU 90 -9.726 42.635 18.092 746 2HB GLU 90 2HB GLU 90 -9.254 42.502 16.391 747 1HG GLU 90 1HG GLU 90 -11.504 42.763 15.617 748 2HG GLU 90 2HG GLU 90 -12.179 42.595 17.242 749 H ASN 91 H ASN 91 -9.212 39.490 19.245 750 HA ASN 91 HA ASN 91 -6.478 39.288 18.141 751 1HB ASN 91 1HB ASN 91 -6.702 39.545 20.660 752 2HB ASN 91 2HB ASN 91 -7.813 38.189 20.753 753 1HD2 ASN 91 1HD2 ASN 91 -6.999 36.101 20.919 754 2HD2 ASN 91 2HD2 ASN 91 -5.275 35.768 20.913 755 H ARG 92 H ARG 92 -8.949 36.883 19.298 756 HA ARG 92 HA ARG 92 -7.688 34.802 17.791 757 1HB ARG 92 1HB ARG 92 -9.610 33.437 18.319 758 2HB ARG 92 2HB ARG 92 -9.087 34.332 19.750 759 1HG ARG 92 1HG ARG 92 -10.933 35.982 19.359 760 2HG ARG 92 2HG ARG 92 -11.461 35.040 17.954 761 1HD ARG 92 1HD ARG 92 -11.810 33.065 19.396 762 2HD ARG 92 2HD ARG 92 -11.315 33.983 20.817 763 HE ARG 92 HE ARG 92 -13.864 34.037 19.420 764 1HH1 ARG 92 1HH1 ARG 92 -11.763 36.099 21.415 765 2HH1 ARG 92 2HH1 ARG 92 -13.082 36.764 22.334 766 1HH2 ARG 92 1HH2 ARG 92 -15.600 35.074 20.518 767 2HH2 ARG 92 2HH2 ARG 92 -15.270 36.289 21.719 768 H GLN 93 H GLN 93 -10.043 37.191 16.905 769 HA GLN 93 HA GLN 93 -10.792 35.765 14.451 770 1HB GLN 93 1HB GLN 93 -12.440 37.043 15.515 771 2HB GLN 93 2HB GLN 93 -11.500 38.529 15.446 772 1HG GLN 93 1HG GLN 93 -12.356 37.052 12.933 773 2HG GLN 93 2HG GLN 93 -13.438 38.159 13.785 774 1HE2 GLN 93 1HE2 GLN 93 -12.889 38.744 11.182 775 2HE2 GLN 93 2HE2 GLN 93 -11.845 40.151 11.105 776 H GLY 94 H GLY 94 -8.029 37.584 15.322 777 1HA GLY 94 1HA GLY 94 -7.440 38.312 12.456 778 2HA GLY 94 2HA GLY 94 -6.645 38.958 13.888 779 H THR 95 H THR 95 -6.271 36.697 15.376 780 HA THR 95 HA THR 95 -3.892 35.570 14.321 781 HB THR 95 HB THR 95 -5.774 34.685 16.588 782 HG1 THR 95 HG1 THR 95 -4.963 36.685 16.988 783 1HG2 THR 95 1HG2 THR 95 -3.701 33.607 17.612 784 2HG2 THR 95 2HG2 THR 95 -4.296 32.762 16.180 785 3HG2 THR 95 3HG2 THR 95 -2.871 33.817 16.071 786 H LEU 96 H LEU 96 -7.200 34.214 14.563 787 HA LEU 96 HA LEU 96 -6.212 31.812 13.331 788 1HB LEU 96 1HB LEU 96 -8.409 31.824 14.532 789 2HB LEU 96 2HB LEU 96 -9.074 32.836 13.245 790 HG LEU 96 HG LEU 96 -8.380 30.898 11.547 791 1HD1 LEU 96 1HD1 LEU 96 -6.906 29.595 13.035 792 2HD1 LEU 96 2HD1 LEU 96 -8.200 29.569 14.276 793 3HD1 LEU 96 3HD1 LEU 96 -8.387 28.658 12.772 794 1HD2 LEU 96 1HD2 LEU 96 -10.576 31.345 12.103 795 2HD2 LEU 96 2HD2 LEU 96 -10.323 29.563 12.256 796 3HD2 LEU 96 3HD2 LEU 96 -10.339 30.580 13.692 797 H THR 97 H THR 97 -7.948 34.628 12.170 798 HA THR 97 HA THR 97 -8.172 34.088 9.418 799 HB THR 97 HB THR 97 -7.832 36.646 11.024 800 HG1 THR 97 HG1 THR 97 -9.914 36.625 10.886 801 1HG2 THR 97 1HG2 THR 97 -8.027 36.709 8.046 802 2HG2 THR 97 2HG2 THR 97 -8.332 38.062 9.170 803 3HG2 THR 97 3HG2 THR 97 -6.724 37.344 9.094 804 H GLU 98 H GLU 98 -5.317 35.142 11.166 805 HA GLU 98 HA GLU 98 -3.852 35.229 8.609 806 1HB GLU 98 1HB GLU 98 -3.505 36.960 10.497 807 2HB GLU 98 2HB GLU 98 -2.767 35.651 11.440 808 1HG GLU 98 1HG GLU 98 -1.136 35.316 9.561 809 2HG GLU 98 2HG GLU 98 -1.857 36.701 8.720 810 H TYR 99 H TYR 99 -4.058 33.165 11.498 811 HA TYR 99 HA TYR 99 -1.935 31.657 10.471 812 1HB TYR 99 1HB TYR 99 -3.129 31.214 12.873 813 2HB TYR 99 2HB TYR 99 -4.025 30.048 11.962 814 HD1 TYR 99 HD1 TYR 99 -0.409 30.354 10.746 815 HD2 TYR 99 HD2 TYR 99 -3.008 28.351 13.603 816 HE1 TYR 99 HE1 TYR 99 1.328 28.673 11.193 817 HE2 TYR 99 HE2 TYR 99 -1.172 26.688 13.988 818 HH TYR 99 HH TYR 99 0.766 25.934 13.241 819 H CYS 100 H CYS 100 -5.352 31.439 9.691 820 HA CYS 100 HA CYS 100 -5.106 28.957 8.278 821 1HB CYS 100 1HB CYS 100 -7.336 30.063 8.821 822 2HB CYS 100 2HB CYS 100 -6.963 31.326 7.625 823 HG CYS 100 HG CYS 100 -8.692 29.669 6.631 824 H SER 101 H SER 101 -4.763 32.339 7.204 825 HA SER 101 HA SER 101 -4.023 31.620 4.531 826 1HB SER 101 1HB SER 101 -3.245 34.132 6.118 827 2HB SER 101 2HB SER 101 -3.403 33.990 4.357 828 HG SER 101 HG SER 101 -5.412 34.072 6.344 829 H THR 102 H THR 102 -2.139 31.958 7.443 830 HA THR 102 HA THR 102 0.401 31.814 6.041 831 HB THR 102 HB THR 102 -0.234 32.252 8.971 832 HG1 THR 102 HG1 THR 102 0.190 34.395 8.356 833 1HG2 THR 102 1HG2 THR 102 2.000 31.592 9.039 834 2HG2 THR 102 2HG2 THR 102 2.379 32.358 7.460 835 3HG2 THR 102 3HG2 THR 102 2.086 33.356 8.873 836 H LEU 103 H LEU 103 -1.598 29.589 7.781 837 HA LEU 103 HA LEU 103 0.452 27.580 8.130 838 1HB LEU 103 1HB LEU 103 -2.431 27.788 8.486 839 2HB LEU 103 2HB LEU 103 -2.235 26.421 7.746 840 HG LEU 103 HG LEU 103 -0.895 26.885 10.401 841 1HD1 LEU 103 1HD1 LEU 103 -3.523 27.086 10.269 842 2HD1 LEU 103 2HD1 LEU 103 -3.387 25.325 10.396 843 3HD1 LEU 103 3HD1 LEU 103 -2.629 26.393 11.574 844 1HD2 LEU 103 1HD2 LEU 103 -0.832 24.536 10.748 845 2HD2 LEU 103 2HD2 LEU 103 -1.920 24.200 9.442 846 3HD2 LEU 103 3HD2 LEU 103 -0.253 24.662 9.084 847 H MET 104 H MET 104 -1.565 28.726 5.470 848 HA MET 104 HA MET 104 -0.451 26.679 3.646 849 1HB MET 104 1HB MET 104 -2.983 27.835 3.726 850 2HB MET 104 2HB MET 104 -2.141 28.977 2.685 851 1HG MET 104 1HG MET 104 -2.825 27.516 1.073 852 2HG MET 104 2HG MET 104 -1.330 26.687 1.486 853 1HE MET 104 1HE MET 104 -3.117 24.056 4.113 854 2HE MET 104 2HE MET 104 -1.511 24.658 3.657 855 3HE MET 104 3HE MET 104 -2.646 25.700 4.554 856 H SER 105 H SER 105 0.492 29.649 4.741 857 HA SER 105 HA SER 105 1.848 30.294 2.190 858 1HB SER 105 1HB SER 105 0.805 32.221 3.879 859 2HB SER 105 2HB SER 105 2.273 31.854 4.790 860 HG SER 105 HG SER 105 3.450 32.282 2.840 861 H LEU 106 H LEU 106 2.638 29.205 5.537 862 HA LEU 106 HA LEU 106 5.021 29.528 5.673 863 1HB LEU 106 1HB LEU 106 3.537 27.006 6.385 864 2HB LEU 106 2HB LEU 106 5.182 27.349 6.848 865 HG LEU 106 HG LEU 106 2.723 28.517 8.019 866 1HD1 LEU 106 1HD1 LEU 106 4.047 26.721 9.008 867 2HD1 LEU 106 2HD1 LEU 106 5.433 27.837 9.122 868 3HD1 LEU 106 3HD1 LEU 106 3.935 28.174 10.031 869 1HD2 LEU 106 1HD2 LEU 106 3.782 30.608 7.296 870 2HD2 LEU 106 2HD2 LEU 106 3.914 30.367 9.042 871 3HD2 LEU 106 3HD2 LEU 106 5.326 30.080 8.013 872 HA PRO 107 HA PRO 107 7.273 27.608 2.477 873 1HB PRO 107 1HB PRO 107 9.834 28.093 3.118 874 2HB PRO 107 2HB PRO 107 8.706 29.420 2.666 875 1HG PRO 107 1HG PRO 107 9.553 28.529 5.446 876 2HG PRO 107 2HG PRO 107 9.427 30.203 4.838 877 1HD PRO 107 1HD PRO 107 7.490 28.825 6.299 878 2HD PRO 107 2HD PRO 107 7.154 30.248 5.262 879 H THR 108 H THR 108 7.261 26.666 5.639 880 HA THR 108 HA THR 108 8.894 24.197 5.377 881 HB THR 108 HB THR 108 7.661 23.957 7.673 882 HG1 THR 108 HG1 THR 108 6.054 25.439 7.346 883 1HG2 THR 108 1HG2 THR 108 9.526 26.299 7.329 884 2HG2 THR 108 2HG2 THR 108 9.074 25.536 8.869 885 3HG2 THR 108 3HG2 THR 108 9.975 24.592 7.669 886 H LYS 109 H LYS 109 7.098 24.533 3.346 887 HA LYS 109 HA LYS 109 4.653 23.257 4.240 888 1HB LYS 109 1HB LYS 109 5.089 24.798 1.968 889 2HB LYS 109 2HB LYS 109 5.669 23.310 1.267 890 1HG LYS 109 1HG LYS 109 3.403 23.601 0.563 891 2HG LYS 109 2HG LYS 109 3.455 22.246 1.672 892 1HD LYS 109 1HD LYS 109 1.618 23.287 2.487 893 2HD LYS 109 2HD LYS 109 2.792 24.111 3.501 894 1HE LYS 109 1HE LYS 109 1.536 25.163 0.916 895 2HE LYS 109 2HE LYS 109 1.120 25.611 2.569 896 1HZ LYS 109 1HZ LYS 109 3.424 26.482 2.783 897 2HZ LYS 109 2HZ LYS 109 3.620 26.218 1.175 898 3HZ LYS 109 3HZ LYS 109 2.454 27.263 1.703 899 H ILE 110 H ILE 110 7.616 21.993 3.706 900 HA ILE 110 HA ILE 110 6.557 19.266 3.235 901 HB ILE 110 HB ILE 110 9.431 20.267 3.576 902 1HG1 ILE 110 1HG1 ILE 110 9.611 19.509 1.151 903 2HG1 ILE 110 2HG1 ILE 110 7.847 19.466 1.085 904 1HG2 ILE 110 1HG2 ILE 110 8.353 17.516 2.850 905 2HG2 ILE 110 2HG2 ILE 110 10.060 18.000 2.779 906 3HG2 ILE 110 3HG2 ILE 110 9.236 17.950 4.332 907 1HD1 ILE 110 1HD1 ILE 110 9.473 21.951 1.815 908 2HD1 ILE 110 2HD1 ILE 110 9.014 21.528 0.156 909 3HD1 ILE 110 3HD1 ILE 110 7.758 21.890 1.335 910 H SER 111 H SER 111 7.974 21.288 5.758 911 HA SER 111 HA SER 111 8.079 19.114 7.656 912 1HB SER 111 1HB SER 111 8.443 22.039 8.252 913 2HB SER 111 2HB SER 111 9.040 20.653 9.172 914 HG SER 111 HG SER 111 10.337 20.138 7.341 915 H ARG 112 H ARG 112 6.067 21.984 7.215 916 HA ARG 112 HA ARG 112 4.341 21.265 9.470 917 1HB ARG 112 1HB ARG 112 4.467 23.582 7.615 918 2HB ARG 112 2HB ARG 112 2.839 23.026 7.905 919 1HG ARG 112 1HG ARG 112 3.218 24.663 9.485 920 2HG ARG 112 2HG ARG 112 3.244 23.148 10.387 921 1HD ARG 112 1HD ARG 112 5.629 23.227 10.633 922 2HD ARG 112 2HD ARG 112 5.785 24.394 9.318 923 HE ARG 112 HE ARG 112 4.262 25.300 11.662 924 1HH1 ARG 112 1HH1 ARG 112 7.484 25.178 10.201 925 2HH1 ARG 112 2HH1 ARG 112 7.975 26.739 10.804 926 1HH2 ARG 112 1HH2 ARG 112 5.037 27.199 12.709 927 2HH2 ARG 112 2HH2 ARG 112 6.639 27.801 12.363 928 H CYS 113 H CYS 113 4.526 20.159 6.219 929 HA CYS 113 HA CYS 113 1.885 19.825 5.555 930 1HB CYS 113 1HB CYS 113 4.251 18.869 4.441 931 2HB CYS 113 2HB CYS 113 3.392 17.391 4.830 932 HG CYS 113 HG CYS 113 2.914 17.975 2.394 933 HA PRO 114 HA PRO 114 1.276 15.665 7.778 934 1HB PRO 114 1HB PRO 114 3.087 14.816 9.706 935 2HB PRO 114 2HB PRO 114 3.246 14.378 7.980 936 1HG PRO 114 1HG PRO 114 4.590 16.693 9.419 937 2HG PRO 114 2HG PRO 114 5.364 15.454 8.386 938 1HD PRO 114 1HD PRO 114 4.724 17.837 7.350 939 2HD PRO 114 2HD PRO 114 4.374 16.354 6.428 940 H HIS 115 H HIS 115 2.676 18.330 9.535 941 HA HIS 115 HA HIS 115 1.013 17.777 11.784 942 1HB HIS 115 1HB HIS 115 3.113 19.283 11.653 943 2HB HIS 115 2HB HIS 115 1.994 20.567 11.225 944 HD1 HIS 115 HD1 HIS 115 1.321 17.765 13.802 945 HD2 HIS 115 HD2 HIS 115 2.132 21.874 13.695 946 HE1 HIS 115 HE1 HIS 115 1.038 18.655 16.164 947 H LEU 116 H LEU 116 0.549 20.094 8.969 948 HA LEU 116 HA LEU 116 -1.804 20.798 9.803 949 1HB LEU 116 1HB LEU 116 -0.567 21.710 7.716 950 2HB LEU 116 2HB LEU 116 -1.353 20.437 6.785 951 HG LEU 116 HG LEU 116 -2.371 22.967 7.864 952 1HD1 LEU 116 1HD1 LEU 116 -2.599 22.117 5.284 953 2HD1 LEU 116 2HD1 LEU 116 -3.811 21.008 5.924 954 3HD1 LEU 116 3HD1 LEU 116 -4.109 22.723 5.995 955 1HD2 LEU 116 1HD2 LEU 116 -3.537 21.755 9.398 956 2HD2 LEU 116 2HD2 LEU 116 -4.501 22.637 8.274 957 3HD2 LEU 116 3HD2 LEU 116 -4.395 20.874 8.086 958 H LEU 117 H LEU 117 -1.036 18.143 7.612 959 HA LEU 117 HA LEU 117 -3.631 16.977 7.173 960 1HB LEU 117 1HB LEU 117 -0.926 15.616 7.423 961 2HB LEU 117 2HB LEU 117 -2.448 14.832 7.079 962 HG LEU 117 HG LEU 117 -2.449 16.524 4.880 963 1HD1 LEU 117 1HD1 LEU 117 -0.417 17.617 5.110 964 2HD1 LEU 117 2HD1 LEU 117 0.458 16.098 5.523 965 3HD1 LEU 117 3HD1 LEU 117 -0.207 16.367 3.904 966 1HD2 LEU 117 1HD2 LEU 117 -2.840 14.177 4.937 967 2HD2 LEU 117 2HD2 LEU 117 -1.585 14.628 3.783 968 3HD2 LEU 117 3HD2 LEU 117 -1.112 13.862 5.305 969 H ASP 118 H ASP 118 -1.456 16.622 9.957 970 HA ASP 118 HA ASP 118 -3.432 14.965 11.321 971 1HB ASP 118 1HB ASP 118 -0.873 16.486 12.103 972 2HB ASP 118 2HB ASP 118 -1.813 15.721 13.346 973 H PHE 119 H PHE 119 -3.496 18.232 10.738 974 HA PHE 119 HA PHE 119 -4.673 19.210 13.262 975 1HB PHE 119 1HB PHE 119 -3.246 20.346 11.161 976 2HB PHE 119 2HB PHE 119 -4.876 20.637 10.565 977 HD1 PHE 119 HD1 PHE 119 -2.243 22.667 11.162 978 HD2 PHE 119 HD2 PHE 119 -5.912 21.585 13.169 979 HE1 PHE 119 HE1 PHE 119 -2.225 24.666 12.417 980 HE2 PHE 119 HE2 PHE 119 -5.879 23.743 14.429 981 HZ PHE 119 HZ PHE 119 -3.975 25.300 14.035 982 H PHE 120 H PHE 120 -5.389 18.269 10.042 983 HA PHE 120 HA PHE 120 -8.327 18.566 10.344 984 1HB PHE 120 1HB PHE 120 -6.297 17.884 8.096 985 2HB PHE 120 2HB PHE 120 -8.030 18.051 7.840 986 HD1 PHE 120 HD1 PHE 120 -6.505 19.517 6.116 987 HD2 PHE 120 HD2 PHE 120 -7.453 20.620 10.168 988 HE1 PHE 120 HE1 PHE 120 -6.383 21.914 5.504 989 HE2 PHE 120 HE2 PHE 120 -7.324 22.976 9.576 990 HZ PHE 120 HZ PHE 120 -6.806 23.651 7.252 991 H LYS 121 H LYS 121 -6.107 15.973 9.324 992 HA LYS 121 HA LYS 121 -8.166 14.068 9.064 993 1HB LYS 121 1HB LYS 121 -6.727 12.590 8.331 994 2HB LYS 121 2HB LYS 121 -5.791 14.062 8.086 995 1HG LYS 121 1HG LYS 121 -4.853 13.460 10.495 996 2HG LYS 121 2HG LYS 121 -5.469 11.846 10.114 997 1HD LYS 121 1HD LYS 121 -3.351 13.487 8.689 998 2HD LYS 121 2HD LYS 121 -3.121 11.945 9.497 999 1HE LYS 121 1HE LYS 121 -4.335 10.765 7.717 1000 2HE LYS 121 2HE LYS 121 -4.828 12.295 6.974 1001 1HZ LYS 121 1HZ LYS 121 -2.113 11.199 7.021 1002 2HZ LYS 121 2HZ LYS 121 -3.072 11.560 5.741 1003 3HZ LYS 121 3HZ LYS 121 -2.446 12.764 6.656 1004 H VAL 122 H VAL 122 -6.602 15.215 11.892 1005 HA VAL 122 HA VAL 122 -7.647 12.979 13.510 1006 HB VAL 122 HB VAL 122 -5.977 15.334 14.403 1007 1HG1 VAL 122 1HG1 VAL 122 -7.233 14.233 16.230 1008 2HG1 VAL 122 2HG1 VAL 122 -6.619 12.650 15.706 1009 3HG1 VAL 122 3HG1 VAL 122 -5.502 13.875 16.341 1010 1HG2 VAL 122 1HG2 VAL 122 -4.124 13.593 14.297 1011 2HG2 VAL 122 2HG2 VAL 122 -5.273 12.495 13.487 1012 3HG2 VAL 122 3HG2 VAL 122 -4.779 13.999 12.715 1013 H ARG 123 H ARG 123 -7.998 16.572 13.189 1014 HA ARG 123 HA ARG 123 -9.657 17.906 14.168 1015 1HB ARG 123 1HB ARG 123 -11.848 17.433 13.214 1016 2HB ARG 123 2HB ARG 123 -10.509 17.528 12.076 1017 1HG ARG 123 1HG ARG 123 -10.418 14.984 12.035 1018 2HG ARG 123 2HG ARG 123 -11.850 14.965 13.054 1019 1HD ARG 123 1HD ARG 123 -12.981 16.355 11.206 1020 2HD ARG 123 2HD ARG 123 -11.572 16.035 10.201 1021 HE ARG 123 HE ARG 123 -13.724 14.240 11.006 1022 1HH1 ARG 123 1HH1 ARG 123 -10.348 14.331 9.986 1023 2HH1 ARG 123 2HH1 ARG 123 -10.278 12.653 9.519 1024 1HH2 ARG 123 1HH2 ARG 123 -13.707 12.076 10.295 1025 2HH2 ARG 123 2HH2 ARG 123 -12.267 11.357 9.614 1026 HA PRO 124 HA PRO 124 -10.976 15.581 17.751 1027 1HB PRO 124 1HB PRO 124 -9.561 16.828 19.784 1028 2HB PRO 124 2HB PRO 124 -8.776 15.651 18.698 1029 1HG PRO 124 1HG PRO 124 -8.833 18.670 18.382 1030 2HG PRO 124 2HG PRO 124 -7.391 17.613 18.401 1031 1HD PRO 124 1HD PRO 124 -8.556 18.393 16.067 1032 2HD PRO 124 2HD PRO 124 -7.888 16.752 16.254 1033 H ASP 125 H ASP 125 -12.286 17.573 16.314 1034 HA ASP 125 HA ASP 125 -14.146 18.113 18.383 1035 1HB ASP 125 1HB ASP 125 -12.589 20.224 18.302 1036 2HB ASP 125 2HB ASP 125 -13.392 20.590 16.781 1037 H ASP 126 H ASP 126 -13.562 16.859 15.539 1038 HA ASP 126 HA ASP 126 -16.217 17.517 14.429 1039 1HB ASP 126 1HB ASP 126 -14.486 17.575 12.722 1040 2HB ASP 126 2HB ASP 126 -13.727 16.133 13.409 1041 H LEU 127 H LEU 127 -14.048 14.730 15.349 1042 HA LEU 127 HA LEU 127 -16.420 13.255 16.286 1043 1HB LEU 127 1HB LEU 127 -14.470 12.554 14.009 1044 2HB LEU 127 2HB LEU 127 -15.186 11.220 14.807 1045 HG LEU 127 HG LEU 127 -17.087 13.253 13.394 1046 1HD1 LEU 127 1HD1 LEU 127 -17.371 11.467 11.831 1047 2HD1 LEU 127 2HD1 LEU 127 -15.658 11.937 11.855 1048 3HD1 LEU 127 3HD1 LEU 127 -16.184 10.447 12.678 1049 1HD2 LEU 127 1HD2 LEU 127 -18.134 12.134 15.340 1050 2HD2 LEU 127 2HD2 LEU 127 -18.712 11.480 13.807 1051 3HD2 LEU 127 3HD2 LEU 127 -17.536 10.562 14.762 1052 H LYS 128 H LYS 128 -13.944 14.557 17.372 1053 HA LYS 128 HA LYS 128 -13.273 12.436 19.212 1054 1HB LYS 128 1HB LYS 128 -11.387 13.632 17.111 1055 2HB LYS 128 2HB LYS 128 -10.682 13.430 18.713 1056 1HG LYS 128 1HG LYS 128 -11.233 11.009 18.634 1057 2HG LYS 128 2HG LYS 128 -11.947 11.237 17.023 1058 1HD LYS 128 1HD LYS 128 -9.785 12.128 16.187 1059 2HD LYS 128 2HD LYS 128 -9.049 11.794 17.769 1060 1HE LYS 128 1HE LYS 128 -9.552 9.380 17.494 1061 2HE LYS 128 2HE LYS 128 -10.359 9.711 15.949 1062 1HZ LYS 128 1HZ LYS 128 -8.269 10.504 15.096 1063 2HZ LYS 128 2HZ LYS 128 -7.514 10.168 16.523 1064 3HZ LYS 128 3HZ LYS 128 -8.141 8.947 15.614 1065 H LEU 129 H LEU 129 -14.900 14.541 19.250 1066 HA LEU 129 HA LEU 129 -14.102 16.975 20.208 1067 1HB LEU 129 1HB LEU 129 -16.509 15.205 20.866 1068 2HB LEU 129 2HB LEU 129 -16.552 16.889 21.231 1069 HG LEU 129 HG LEU 129 -16.183 16.236 18.213 1070 1HD1 LEU 129 1HD1 LEU 129 -18.575 15.850 18.114 1071 2HD1 LEU 129 2HD1 LEU 129 -17.768 14.577 19.066 1072 3HD1 LEU 129 3HD1 LEU 129 -18.677 15.867 19.897 1073 1HD2 LEU 129 1HD2 LEU 129 -17.916 18.205 19.774 1074 2HD2 LEU 129 2HD2 LEU 129 -16.353 18.582 19.029 1075 3HD2 LEU 129 3HD2 LEU 129 -17.719 18.080 18.019 1076 HA PRO 130 HA PRO 130 -12.981 16.454 24.414 1077 1HB PRO 130 1HB PRO 130 -14.790 18.567 25.420 1078 2HB PRO 130 2HB PRO 130 -13.006 18.560 25.381 1079 1HG PRO 130 1HG PRO 130 -14.390 20.183 23.660 1080 2HG PRO 130 2HG PRO 130 -12.973 19.255 23.086 1081 1HD PRO 130 1HD PRO 130 -15.884 18.389 22.986 1082 2HD PRO 130 2HD PRO 130 -14.794 18.608 21.601 Start of MODEL 19 1 1H GLY 1 1H GLY 1 1.486 -1.642 -0.601 2 2H GLY 1 2H GLY 1 1.117 -1.597 0.996 3 3H GLY 1 3H GLY 1 0.145 -2.444 -0.048 4 1HA GLY 1 1HA GLY 1 -0.441 -0.389 -1.167 5 2HA GLY 1 2HA GLY 1 -0.905 -0.389 0.550 6 H SER 2 H SER 2 -0.503 2.010 -0.925 7 HA SER 2 HA SER 2 1.658 3.270 0.633 8 1HB SER 2 1HB SER 2 1.390 3.556 -2.399 9 2HB SER 2 2HB SER 2 2.575 4.374 -1.361 10 HG SER 2 HG SER 2 3.459 2.537 -2.377 11 H MET 3 H MET 3 1.493 5.746 0.151 12 HA MET 3 HA MET 3 0.370 7.635 0.438 13 1HB MET 3 1HB MET 3 0.064 7.091 -1.987 14 2HB MET 3 2HB MET 3 -1.504 6.422 -1.606 15 1HG MET 3 1HG MET 3 -1.675 8.988 -0.510 16 2HG MET 3 2HG MET 3 -0.566 9.231 -1.845 17 1HE MET 3 1HE MET 3 -4.113 8.027 -0.739 18 2HE MET 3 2HE MET 3 -4.895 7.674 -2.291 19 3HE MET 3 3HE MET 3 -3.603 6.626 -1.695 20 H GLY 4 H GLY 4 -0.291 5.515 2.342 21 1HA GLY 4 1HA GLY 4 -3.160 5.770 2.973 22 2HA GLY 4 2HA GLY 4 -1.916 4.922 3.919 23 H ASP 5 H ASP 5 -2.596 8.167 2.778 24 HA ASP 5 HA ASP 5 -3.189 9.322 5.198 25 1HB ASP 5 1HB ASP 5 -0.440 8.924 5.403 26 2HB ASP 5 2HB ASP 5 -0.372 10.342 4.393 27 H THR 6 H THR 6 -1.855 9.647 2.002 28 HA THR 6 HA THR 6 -1.864 11.132 0.324 29 HB THR 6 HB THR 6 -4.137 10.035 0.388 30 HG1 THR 6 HG1 THR 6 -4.689 11.097 -1.371 31 1HG2 THR 6 1HG2 THR 6 -4.988 11.384 2.202 32 2HG2 THR 6 2HG2 THR 6 -4.832 12.870 1.239 33 3HG2 THR 6 3HG2 THR 6 -5.926 11.581 0.699 34 H PHE 7 H PHE 7 -3.267 13.520 -0.155 35 HA PHE 7 HA PHE 7 -2.035 15.324 1.867 36 1HB PHE 7 1HB PHE 7 -1.397 15.454 -1.059 37 2HB PHE 7 2HB PHE 7 -0.623 16.315 0.234 38 HD1 PHE 7 HD1 PHE 7 -0.770 12.932 -1.527 39 HD2 PHE 7 HD2 PHE 7 0.706 14.810 2.128 40 HE1 PHE 7 HE1 PHE 7 0.716 11.085 -1.129 41 HE2 PHE 7 HE2 PHE 7 2.166 12.924 2.465 42 HZ PHE 7 HZ PHE 7 2.209 11.039 0.852 43 H ILE 8 H ILE 8 -2.212 17.689 1.231 44 HA ILE 8 HA ILE 8 -5.059 18.031 0.672 45 HB ILE 8 HB ILE 8 -3.258 19.405 2.693 46 1HG1 ILE 8 1HG1 ILE 8 -5.775 17.631 2.625 47 2HG1 ILE 8 2HG1 ILE 8 -4.187 17.216 3.281 48 1HG2 ILE 8 1HG2 ILE 8 -5.068 20.828 3.363 49 2HG2 ILE 8 2HG2 ILE 8 -4.581 21.205 1.734 50 3HG2 ILE 8 3HG2 ILE 8 -6.080 20.266 2.015 51 1HD1 ILE 8 1HD1 ILE 8 -6.236 19.171 4.294 52 2HD1 ILE 8 2HD1 ILE 8 -5.701 17.666 5.066 53 3HD1 ILE 8 3HD1 ILE 8 -4.578 19.051 4.979 54 H ARG 9 H ARG 9 -5.916 20.026 -0.008 55 HA ARG 9 HA ARG 9 -4.301 21.168 -2.227 56 1HB ARG 9 1HB ARG 9 -6.703 19.911 -2.519 57 2HB ARG 9 2HB ARG 9 -7.385 21.373 -1.866 58 1HG ARG 9 1HG ARG 9 -5.653 21.136 -4.366 59 2HG ARG 9 2HG ARG 9 -7.406 21.377 -4.288 60 1HD ARG 9 1HD ARG 9 -6.974 23.562 -3.075 61 2HD ARG 9 2HD ARG 9 -5.239 23.334 -3.438 62 HE ARG 9 HE ARG 9 -6.716 23.089 -5.841 63 1HH1 ARG 9 1HH1 ARG 9 -5.737 25.527 -3.468 64 2HH1 ARG 9 2HH1 ARG 9 -5.761 26.852 -4.598 65 1HH2 ARG 9 1HH2 ARG 9 -6.736 24.833 -7.354 66 2HH2 ARG 9 2HH2 ARG 9 -6.325 26.444 -6.838 67 H HIS 10 H HIS 10 -6.882 22.090 0.106 68 HA HIS 10 HA HIS 10 -5.356 24.149 1.308 69 1HB HIS 10 1HB HIS 10 -6.028 26.066 0.140 70 2HB HIS 10 2HB HIS 10 -6.038 25.003 -1.222 71 HD1 HIS 10 HD1 HIS 10 -8.730 23.562 -1.004 72 HD2 HIS 10 HD2 HIS 10 -8.264 27.668 -0.283 73 HE1 HIS 10 HE1 HIS 10 -10.998 24.690 -1.336 74 H ILE 11 H ILE 11 -6.891 25.878 2.340 75 HA ILE 11 HA ILE 11 -9.123 24.481 3.580 76 HB ILE 11 HB ILE 11 -7.834 26.866 4.874 77 1HG1 ILE 11 1HG1 ILE 11 -6.514 25.274 6.315 78 2HG1 ILE 11 2HG1 ILE 11 -6.681 24.062 5.017 79 1HG2 ILE 11 1HG2 ILE 11 -8.649 25.766 6.898 80 2HG2 ILE 11 2HG2 ILE 11 -9.970 25.939 5.748 81 3HG2 ILE 11 3HG2 ILE 11 -9.193 24.359 5.960 82 1HD1 ILE 11 1HD1 ILE 11 -5.335 25.540 3.576 83 2HD1 ILE 11 2HD1 ILE 11 -5.461 26.851 4.777 84 3HD1 ILE 11 3HD1 ILE 11 -4.558 25.369 5.153 85 H ALA 12 H ALA 12 -11.108 25.701 3.865 86 HA ALA 12 HA ALA 12 -11.254 28.391 2.657 87 1HB ALA 12 1HB ALA 12 -13.150 26.046 2.235 88 2HB ALA 12 2HB ALA 12 -13.487 27.748 1.832 89 3HB ALA 12 3HB ALA 12 -12.178 26.884 0.989 90 H LEU 13 H LEU 13 -11.924 29.520 4.563 91 HA LEU 13 HA LEU 13 -12.853 27.883 6.723 92 1HB LEU 13 1HB LEU 13 -11.076 29.564 6.892 93 2HB LEU 13 2HB LEU 13 -12.274 30.844 6.801 94 HG LEU 13 HG LEU 13 -11.660 28.754 9.062 95 1HD1 LEU 13 1HD1 LEU 13 -10.912 31.575 8.547 96 2HD1 LEU 13 2HD1 LEU 13 -11.176 31.020 10.184 97 3HD1 LEU 13 3HD1 LEU 13 -9.966 30.195 9.160 98 1HD2 LEU 13 1HD2 LEU 13 -12.920 29.856 10.619 99 2HD2 LEU 13 2HD2 LEU 13 -13.453 31.107 9.486 100 3HD2 LEU 13 3HD2 LEU 13 -14.025 29.402 9.331 101 H LEU 14 H LEU 14 -14.978 28.091 7.646 102 HA LEU 14 HA LEU 14 -16.896 29.422 5.759 103 1HB LEU 14 1HB LEU 14 -17.041 26.915 7.243 104 2HB LEU 14 2HB LEU 14 -18.017 27.971 8.161 105 HG LEU 14 HG LEU 14 -19.226 28.677 6.011 106 1HD1 LEU 14 1HD1 LEU 14 -17.556 27.897 4.299 107 2HD1 LEU 14 2HD1 LEU 14 -17.793 26.248 4.852 108 3HD1 LEU 14 3HD1 LEU 14 -19.114 27.105 4.071 109 1HD2 LEU 14 1HD2 LEU 14 -20.221 27.147 7.622 110 2HD2 LEU 14 2HD2 LEU 14 -20.625 26.635 5.974 111 3HD2 LEU 14 3HD2 LEU 14 -19.375 25.770 6.893 112 H GLY 15 H GLY 15 -16.122 29.200 9.184 113 1HA GLY 15 1HA GLY 15 -15.788 31.838 9.736 114 2HA GLY 15 2HA GLY 15 -17.529 31.876 9.511 115 H PHE 16 H PHE 16 -18.855 31.407 11.143 116 HA PHE 16 HA PHE 16 -17.616 31.192 13.772 117 1HB PHE 16 1HB PHE 16 -20.528 31.425 13.070 118 2HB PHE 16 2HB PHE 16 -19.791 31.791 14.589 119 HD1 PHE 16 HD1 PHE 16 -20.827 33.353 11.390 120 HD2 PHE 16 HD2 PHE 16 -17.779 33.812 14.497 121 HE1 PHE 16 HE1 PHE 16 -20.395 35.601 10.693 122 HE2 PHE 16 HE2 PHE 16 -17.406 36.051 13.739 123 HZ PHE 16 HZ PHE 16 -18.691 36.995 11.838 124 H GLU 17 H GLU 17 -19.065 29.908 15.402 125 HA GLU 17 HA GLU 17 -20.509 27.637 14.719 126 1HB GLU 17 1HB GLU 17 -17.787 27.093 14.370 127 2HB GLU 17 2HB GLU 17 -18.117 26.551 16.008 128 1HG GLU 17 1HG GLU 17 -19.743 25.706 13.581 129 2HG GLU 17 2HG GLU 17 -18.396 24.790 14.259 130 H LYS 18 H LYS 18 -21.122 26.476 16.837 131 HA LYS 18 HA LYS 18 -20.777 28.213 19.182 132 1HB LYS 18 1HB LYS 18 -23.397 26.904 18.932 133 2HB LYS 18 2HB LYS 18 -22.909 28.467 19.548 134 1HG LYS 18 1HG LYS 18 -24.219 28.973 17.700 135 2HG LYS 18 2HG LYS 18 -22.594 29.071 17.014 136 1HD LYS 18 1HD LYS 18 -23.143 26.384 16.688 137 2HD LYS 18 2HD LYS 18 -24.786 26.993 16.676 138 1HE LYS 18 1HE LYS 18 -24.448 28.216 14.670 139 2HE LYS 18 2HE LYS 18 -22.692 28.258 14.878 140 1HZ LYS 18 1HZ LYS 18 -22.621 25.904 14.517 141 2HZ LYS 18 2HZ LYS 18 -24.242 25.857 14.228 142 3HZ LYS 18 3HZ LYS 18 -23.251 26.691 13.211 143 H ARG 19 H ARG 19 -19.276 26.807 20.294 144 HA ARG 19 HA ARG 19 -20.376 24.221 21.279 145 1HB ARG 19 1HB ARG 19 -17.729 24.941 20.207 146 2HB ARG 19 2HB ARG 19 -17.617 24.469 21.904 147 1HG ARG 19 1HG ARG 19 -17.282 22.513 20.621 148 2HG ARG 19 2HG ARG 19 -18.873 22.374 21.382 149 1HD ARG 19 1HD ARG 19 -19.910 23.111 19.193 150 2HD ARG 19 2HD ARG 19 -18.286 23.148 18.484 151 HE ARG 19 HE ARG 19 -18.720 20.615 19.714 152 1HH1 ARG 19 1HH1 ARG 19 -19.747 22.452 16.839 153 2HH1 ARG 19 2HH1 ARG 19 -20.170 21.023 15.938 154 1HH2 ARG 19 1HH2 ARG 19 -19.273 18.755 18.501 155 2HH2 ARG 19 2HH2 ARG 19 -19.867 18.914 16.873 156 H PHE 20 H PHE 20 -21.584 24.912 22.985 157 HA PHE 20 HA PHE 20 -20.672 27.140 24.505 158 1HB PHE 20 1HB PHE 20 -22.908 25.132 25.221 159 2HB PHE 20 2HB PHE 20 -23.120 26.804 25.458 160 HD1 PHE 20 HD1 PHE 20 -23.688 23.908 23.017 161 HD2 PHE 20 HD2 PHE 20 -23.609 28.306 23.054 162 HE1 PHE 20 HE1 PHE 20 -24.896 24.000 21.004 163 HE2 PHE 20 HE2 PHE 20 -24.835 28.283 21.030 164 HZ PHE 20 HZ PHE 20 -25.516 26.154 19.954 165 H VAL 21 H VAL 21 -20.204 23.774 24.572 166 HA VAL 21 HA VAL 21 -19.650 23.754 27.387 167 HB VAL 21 HB VAL 21 -20.543 21.110 26.755 168 1HG1 VAL 21 1HG1 VAL 21 -22.744 21.802 27.570 169 2HG1 VAL 21 2HG1 VAL 21 -21.508 22.657 28.523 170 3HG1 VAL 21 3HG1 VAL 21 -22.376 23.506 27.226 171 1HG2 VAL 21 1HG2 VAL 21 -22.108 22.684 24.871 172 2HG2 VAL 21 2HG2 VAL 21 -20.700 21.632 24.483 173 3HG2 VAL 21 3HG2 VAL 21 -22.132 20.953 25.297 174 HA PRO 22 HA PRO 22 -18.773 21.483 28.450 175 1HB PRO 22 1HB PRO 22 -16.493 20.888 29.802 176 2HB PRO 22 2HB PRO 22 -17.204 19.806 28.570 177 1HG PRO 22 1HG PRO 22 -14.981 21.819 28.191 178 2HG PRO 22 2HG PRO 22 -15.009 20.107 27.673 179 1HD PRO 22 1HD PRO 22 -15.653 22.221 26.053 180 2HD PRO 22 2HD PRO 22 -16.428 20.620 25.834 181 H SER 23 H SER 23 -17.005 24.083 27.402 182 HA SER 23 HA SER 23 -17.651 25.680 29.747 183 1HB SER 23 1HB SER 23 -15.040 24.995 29.703 184 2HB SER 23 2HB SER 23 -14.925 25.962 28.248 185 HG SER 23 HG SER 23 -15.750 26.830 30.824 186 H GLN 24 H GLN 24 -17.556 28.129 29.116 187 HA GLN 24 HA GLN 24 -19.148 28.313 26.767 188 1HB GLN 24 1HB GLN 24 -18.186 30.670 28.327 189 2HB GLN 24 2HB GLN 24 -19.646 30.381 27.417 190 1HG GLN 24 1HG GLN 24 -19.103 28.933 30.184 191 2HG GLN 24 2HG GLN 24 -20.334 30.121 29.946 192 1HE2 GLN 24 1HE2 GLN 24 -21.725 29.478 27.731 193 2HE2 GLN 24 2HE2 GLN 24 -22.313 27.828 27.860 194 H HIS 25 H HIS 25 -18.033 28.478 24.654 195 HA HIS 25 HA HIS 25 -16.296 30.678 24.281 196 1HB HIS 25 1HB HIS 25 -14.602 28.711 23.343 197 2HB HIS 25 2HB HIS 25 -14.427 29.322 25.013 198 HD1 HIS 25 HD1 HIS 25 -16.831 26.751 23.437 199 HD2 HIS 25 HD2 HIS 25 -13.642 26.879 26.151 200 HE1 HIS 25 HE1 HIS 25 -16.574 24.457 24.340 201 H TYR 26 H TYR 26 -17.316 31.298 22.142 202 HA TYR 26 HA TYR 26 -18.266 29.103 20.543 203 1HB TYR 26 1HB TYR 26 -17.870 32.056 20.020 204 2HB TYR 26 2HB TYR 26 -18.005 31.014 18.658 205 HD1 TYR 26 HD1 TYR 26 -20.124 30.412 21.857 206 HD2 TYR 26 HD2 TYR 26 -20.285 31.817 17.704 207 HE1 TYR 26 HE1 TYR 26 -22.494 30.452 21.916 208 HE2 TYR 26 HE2 TYR 26 -22.654 31.827 17.853 209 HH TYR 26 HH TYR 26 -24.458 30.944 20.806 210 H VAL 27 H VAL 27 -17.437 28.438 18.436 211 HA VAL 27 HA VAL 27 -14.467 28.621 18.206 212 HB VAL 27 HB VAL 27 -14.354 26.240 17.898 213 1HG1 VAL 27 1HG1 VAL 27 -14.904 25.409 20.051 214 2HG1 VAL 27 2HG1 VAL 27 -14.441 27.110 20.251 215 3HG1 VAL 27 3HG1 VAL 27 -16.150 26.640 20.291 216 1HG2 VAL 27 1HG2 VAL 27 -16.256 24.724 18.149 217 2HG2 VAL 27 2HG2 VAL 27 -17.358 26.112 18.045 218 3HG2 VAL 27 3HG2 VAL 27 -16.282 25.679 16.671 219 H TYR 28 H TYR 28 -13.773 27.969 15.795 220 HA TYR 28 HA TYR 28 -15.714 29.259 14.127 221 1HB TYR 28 1HB TYR 28 -13.370 29.098 12.644 222 2HB TYR 28 2HB TYR 28 -14.125 30.477 13.443 223 HD1 TYR 28 HD1 TYR 28 -11.782 27.726 14.457 224 HD2 TYR 28 HD2 TYR 28 -12.772 31.914 14.487 225 HE1 TYR 28 HE1 TYR 28 -9.838 28.193 15.789 226 HE2 TYR 28 HE2 TYR 28 -10.785 32.411 15.817 227 HH TYR 28 HH TYR 28 -8.929 31.515 16.877 228 H MET 29 H MET 29 -16.627 28.297 12.391 229 HA MET 29 HA MET 29 -16.235 25.462 12.109 230 1HB MET 29 1HB MET 29 -18.393 26.401 11.908 231 2HB MET 29 2HB MET 29 -17.952 27.399 10.493 232 1HG MET 29 1HG MET 29 -19.278 25.500 9.836 233 2HG MET 29 2HG MET 29 -17.638 25.293 9.231 234 1HE MET 29 1HE MET 29 -17.850 22.845 8.782 235 2HE MET 29 2HE MET 29 -16.346 23.409 9.537 236 3HE MET 29 3HE MET 29 -17.040 21.849 10.040 237 H PHE 30 H PHE 30 -14.574 24.478 10.739 238 HA PHE 30 HA PHE 30 -13.452 26.123 8.661 239 1HB PHE 30 1HB PHE 30 -12.387 24.041 10.600 240 2HB PHE 30 2HB PHE 30 -11.731 24.023 9.001 241 HD1 PHE 30 HD1 PHE 30 -12.530 27.132 11.503 242 HD2 PHE 30 HD2 PHE 30 -9.569 25.222 8.848 243 HE1 PHE 30 HE1 PHE 30 -11.020 28.790 11.871 244 HE2 PHE 30 HE2 PHE 30 -8.089 26.979 9.295 245 HZ PHE 30 HZ PHE 30 -8.716 28.789 10.780 246 H LEU 31 H LEU 31 -13.422 25.450 6.409 247 HA LEU 31 HA LEU 31 -14.434 22.767 5.981 248 1HB LEU 31 1HB LEU 31 -14.865 25.367 4.625 249 2HB LEU 31 2HB LEU 31 -14.537 24.018 3.540 250 HG LEU 31 HG LEU 31 -16.911 24.492 3.975 251 1HD1 LEU 31 1HD1 LEU 31 -17.598 22.206 4.280 252 2HD1 LEU 31 2HD1 LEU 31 -16.173 22.340 3.215 253 3HD1 LEU 31 3HD1 LEU 31 -15.980 21.772 4.887 254 1HD2 LEU 31 1HD2 LEU 31 -16.548 23.347 6.788 255 2HD2 LEU 31 2HD2 LEU 31 -16.529 25.073 6.461 256 3HD2 LEU 31 3HD2 LEU 31 -17.977 24.124 6.090 257 H VAL 32 H VAL 32 -12.937 21.167 5.449 258 HA VAL 32 HA VAL 32 -10.387 22.181 4.413 259 HB VAL 32 HB VAL 32 -9.853 21.058 6.186 260 1HG1 VAL 32 1HG1 VAL 32 -10.596 18.761 6.792 261 2HG1 VAL 32 2HG1 VAL 32 -11.955 19.891 6.749 262 3HG1 VAL 32 3HG1 VAL 32 -11.687 18.771 5.388 263 1HG2 VAL 32 1HG2 VAL 32 -8.462 20.453 4.328 264 2HG2 VAL 32 2HG2 VAL 32 -8.641 19.050 5.405 265 3HG2 VAL 32 3HG2 VAL 32 -9.535 19.115 3.888 266 H LYS 33 H LYS 33 -9.739 21.641 2.282 267 HA LYS 33 HA LYS 33 -11.625 19.886 0.853 268 1HB LYS 33 1HB LYS 33 -10.647 22.583 0.131 269 2HB LYS 33 2HB LYS 33 -10.909 21.389 -1.167 270 1HG LYS 33 1HG LYS 33 -13.172 20.909 -0.313 271 2HG LYS 33 2HG LYS 33 -12.961 22.083 0.995 272 1HD LYS 33 1HD LYS 33 -12.982 23.918 -0.573 273 2HD LYS 33 2HD LYS 33 -12.905 22.802 -1.966 274 1HE LYS 33 1HE LYS 33 -15.108 21.837 -1.299 275 2HE LYS 33 2HE LYS 33 -15.180 22.949 0.079 276 1HZ LYS 33 1HZ LYS 33 -15.227 24.765 -1.478 277 2HZ LYS 33 2HZ LYS 33 -15.145 23.727 -2.757 278 3HZ LYS 33 3HZ LYS 33 -16.458 23.712 -1.770 279 H TRP 34 H TRP 34 -10.723 17.906 0.390 280 HA TRP 34 HA TRP 34 -7.831 17.897 0.246 281 1HB TRP 34 1HB TRP 34 -9.828 15.636 0.423 282 2HB TRP 34 2HB TRP 34 -8.089 15.476 0.390 283 HD1 TRP 34 HD1 TRP 34 -10.690 17.084 2.753 284 HE1 TRP 34 HE1 TRP 34 -9.883 16.662 5.179 285 HE3 TRP 34 HE3 TRP 34 -6.275 14.783 1.724 286 HZ2 TRP 34 HZ2 TRP 34 -7.595 15.444 6.486 287 HZ3 TRP 34 HZ3 TRP 34 -4.811 13.991 3.558 288 HH2 TRP 34 HH2 TRP 34 -5.479 14.280 5.926 289 H GLN 35 H GLN 35 -6.762 16.677 -1.515 290 HA GLN 35 HA GLN 35 -8.245 16.900 -4.075 291 1HB GLN 35 1HB GLN 35 -5.735 16.526 -5.032 292 2HB GLN 35 2HB GLN 35 -5.864 17.955 -4.037 293 1HG GLN 35 1HG GLN 35 -3.906 16.859 -3.502 294 2HG GLN 35 2HG GLN 35 -4.954 16.722 -2.105 295 1HE2 GLN 35 1HE2 GLN 35 -4.980 14.691 -1.193 296 2HE2 GLN 35 2HE2 GLN 35 -4.549 13.208 -2.024 297 H ASP 36 H ASP 36 -8.302 14.733 -1.866 298 HA ASP 36 HA ASP 36 -8.597 12.495 -3.711 299 1HB ASP 36 1HB ASP 36 -6.334 12.318 -2.491 300 2HB ASP 36 2HB ASP 36 -7.126 12.519 -0.944 301 H LEU 37 H LEU 37 -8.976 13.056 -0.197 302 HA LEU 37 HA LEU 37 -11.455 11.688 -0.030 303 1HB LEU 37 1HB LEU 37 -10.207 13.808 1.740 304 2HB LEU 37 2HB LEU 37 -11.632 12.882 2.166 305 HG LEU 37 HG LEU 37 -9.773 12.059 3.339 306 1HD1 LEU 37 1HD1 LEU 37 -9.811 9.696 2.868 307 2HD1 LEU 37 2HD1 LEU 37 -11.435 10.375 2.650 308 3HD1 LEU 37 3HD1 LEU 37 -10.429 9.979 1.231 309 1HD2 LEU 37 1HD2 LEU 37 -7.769 11.148 2.474 310 2HD2 LEU 37 2HD2 LEU 37 -8.347 11.230 0.806 311 3HD2 LEU 37 3HD2 LEU 37 -7.979 12.728 1.699 312 H SER 38 H SER 38 -10.907 14.690 -1.479 313 HA SER 38 HA SER 38 -12.361 16.392 -2.223 314 1HB SER 38 1HB SER 38 -13.834 14.186 -2.751 315 2HB SER 38 2HB SER 38 -14.748 14.618 -1.321 316 HG SER 38 HG SER 38 -14.309 16.229 -3.612 317 H GLU 39 H GLU 39 -14.943 16.983 -1.064 318 HA GLU 39 HA GLU 39 -13.918 18.695 0.894 319 1HB GLU 39 1HB GLU 39 -16.488 19.474 1.101 320 2HB GLU 39 2HB GLU 39 -15.901 19.470 -0.553 321 1HG GLU 39 1HG GLU 39 -16.959 17.272 -0.929 322 2HG GLU 39 2HG GLU 39 -17.516 17.271 0.754 323 H LYS 40 H LYS 40 -14.091 18.828 3.158 324 HA LYS 40 HA LYS 40 -15.568 16.781 4.582 325 1HB LYS 40 1HB LYS 40 -12.776 16.342 4.007 326 2HB LYS 40 2HB LYS 40 -12.881 16.857 5.693 327 1HG LYS 40 1HG LYS 40 -12.928 14.506 5.630 328 2HG LYS 40 2HG LYS 40 -14.515 15.073 6.167 329 1HD LYS 40 1HD LYS 40 -15.499 14.603 3.999 330 2HD LYS 40 2HD LYS 40 -13.922 14.271 3.268 331 1HE LYS 40 1HE LYS 40 -15.209 12.645 5.521 332 2HE LYS 40 2HE LYS 40 -15.324 12.249 3.798 333 1HZ LYS 40 1HZ LYS 40 -12.823 12.376 5.334 334 2HZ LYS 40 2HZ LYS 40 -13.601 11.012 4.847 335 3HZ LYS 40 3HZ LYS 40 -12.956 12.029 3.726 336 H VAL 41 H VAL 41 -15.798 17.497 6.907 337 HA VAL 41 HA VAL 41 -15.233 20.359 7.115 338 HB VAL 41 HB VAL 41 -17.258 20.711 7.953 339 1HG1 VAL 41 1HG1 VAL 41 -17.844 18.400 6.058 340 2HG1 VAL 41 2HG1 VAL 41 -18.823 19.848 6.344 341 3HG1 VAL 41 3HG1 VAL 41 -17.258 19.984 5.537 342 1HG2 VAL 41 1HG2 VAL 41 -18.825 18.972 8.789 343 2HG2 VAL 41 2HG2 VAL 41 -17.518 17.768 8.615 344 3HG2 VAL 41 3HG2 VAL 41 -17.355 19.123 9.756 345 H VAL 42 H VAL 42 -14.598 21.272 9.190 346 HA VAL 42 HA VAL 42 -14.150 19.424 11.359 347 HB VAL 42 HB VAL 42 -11.742 20.000 11.560 348 1HG1 VAL 42 1HG1 VAL 42 -10.781 18.566 9.913 349 2HG1 VAL 42 2HG1 VAL 42 -12.332 17.889 10.425 350 3HG1 VAL 42 3HG1 VAL 42 -12.190 18.725 8.858 351 1HG2 VAL 42 1HG2 VAL 42 -11.506 22.062 10.542 352 2HG2 VAL 42 2HG2 VAL 42 -10.480 20.938 9.661 353 3HG2 VAL 42 3HG2 VAL 42 -12.025 21.450 8.945 354 H TYR 43 H TYR 43 -13.543 20.673 13.388 355 HA TYR 43 HA TYR 43 -14.619 23.388 13.258 356 1HB TYR 43 1HB TYR 43 -14.553 21.547 15.586 357 2HB TYR 43 2HB TYR 43 -15.500 22.966 15.348 358 HD1 TYR 43 HD1 TYR 43 -15.150 19.435 13.440 359 HD2 TYR 43 HD2 TYR 43 -17.982 22.554 14.647 360 HE1 TYR 43 HE1 TYR 43 -16.889 18.265 12.498 361 HE2 TYR 43 HE2 TYR 43 -19.695 21.301 13.668 362 HH TYR 43 HH TYR 43 -20.301 19.407 12.467 363 H ARG 44 H ARG 44 -13.374 24.988 14.477 364 HA ARG 44 HA ARG 44 -10.912 23.922 15.831 365 1HB ARG 44 1HB ARG 44 -11.021 25.897 13.537 366 2HB ARG 44 2HB ARG 44 -9.780 25.999 14.788 367 1HG ARG 44 1HG ARG 44 -9.178 23.561 14.196 368 2HG ARG 44 2HG ARG 44 -10.174 23.820 12.737 369 1HD ARG 44 1HD ARG 44 -8.865 25.980 12.386 370 2HD ARG 44 2HD ARG 44 -7.795 25.472 13.715 371 HE ARG 44 HE ARG 44 -7.750 23.391 11.873 372 1HH1 ARG 44 1HH1 ARG 44 -6.905 26.826 12.040 373 2HH1 ARG 44 2HH1 ARG 44 -5.535 26.705 10.972 374 1HH2 ARG 44 1HH2 ARG 44 -5.879 23.226 10.449 375 2HH2 ARG 44 2HH2 ARG 44 -4.998 24.657 10.013 376 H ARG 45 H ARG 45 -9.938 25.494 17.319 377 HA ARG 45 HA ARG 45 -11.535 27.807 18.070 378 1HB ARG 45 1HB ARG 45 -11.750 27.114 20.402 379 2HB ARG 45 2HB ARG 45 -12.556 25.947 19.340 380 1HG ARG 45 1HG ARG 45 -10.646 24.407 19.525 381 2HG ARG 45 2HG ARG 45 -9.809 25.578 20.567 382 1HD ARG 45 1HD ARG 45 -10.682 24.137 22.119 383 2HD ARG 45 2HD ARG 45 -11.913 25.412 22.079 384 HE ARG 45 HE ARG 45 -12.264 23.022 20.313 385 1HH1 ARG 45 1HH1 ARG 45 -13.104 24.471 23.453 386 2HH1 ARG 45 2HH1 ARG 45 -14.366 23.321 23.768 387 1HH2 ARG 45 1HH2 ARG 45 -13.803 21.562 20.727 388 2HH2 ARG 45 2HH2 ARG 45 -14.824 21.616 22.157 389 H PHE 46 H PHE 46 -10.361 29.156 19.703 390 HA PHE 46 HA PHE 46 -7.814 29.759 18.921 391 1HB PHE 46 1HB PHE 46 -7.681 31.117 20.987 392 2HB PHE 46 2HB PHE 46 -9.128 31.352 20.024 393 HD1 PHE 46 HD1 PHE 46 -11.360 30.550 20.815 394 HD2 PHE 46 HD2 PHE 46 -7.825 30.288 23.286 395 HE1 PHE 46 HE1 PHE 46 -12.772 30.208 22.812 396 HE2 PHE 46 HE2 PHE 46 -9.254 29.951 25.277 397 HZ PHE 46 HZ PHE 46 -11.728 29.909 25.049 398 H THR 47 H THR 47 -8.513 28.103 22.000 399 HA THR 47 HA THR 47 -5.799 27.568 22.660 400 HB THR 47 HB THR 47 -7.664 27.472 24.272 401 HG1 THR 47 HG1 THR 47 -6.191 25.047 24.152 402 1HG2 THR 47 1HG2 THR 47 -9.024 25.446 24.482 403 2HG2 THR 47 2HG2 THR 47 -9.338 26.234 22.925 404 3HG2 THR 47 3HG2 THR 47 -8.318 24.774 23.003 405 H GLU 48 H GLU 48 -7.781 25.917 20.332 406 HA GLU 48 HA GLU 48 -6.045 23.573 20.267 407 1HB GLU 48 1HB GLU 48 -8.533 24.479 18.780 408 2HB GLU 48 2HB GLU 48 -7.453 23.374 18.063 409 1HG GLU 48 1HG GLU 48 -8.560 23.084 20.906 410 2HG GLU 48 2HG GLU 48 -9.395 22.407 19.508 411 H ILE 49 H ILE 49 -6.568 26.557 18.324 412 HA ILE 49 HA ILE 49 -4.556 25.843 16.370 413 HB ILE 49 HB ILE 49 -5.678 28.549 17.224 414 1HG1 ILE 49 1HG1 ILE 49 -5.972 28.593 14.649 415 2HG1 ILE 49 2HG1 ILE 49 -5.634 26.865 14.669 416 1HG2 ILE 49 1HG2 ILE 49 -4.154 29.547 15.460 417 2HG2 ILE 49 2HG2 ILE 49 -3.424 29.146 17.006 418 3HG2 ILE 49 3HG2 ILE 49 -3.181 28.064 15.634 419 1HD1 ILE 49 1HD1 ILE 49 -8.068 27.459 14.692 420 2HD1 ILE 49 2HD1 ILE 49 -7.656 26.527 16.119 421 3HD1 ILE 49 3HD1 ILE 49 -7.811 28.295 16.239 422 H TYR 50 H TYR 50 -4.439 27.409 19.564 423 HA TYR 50 HA TYR 50 -1.571 27.798 19.592 424 1HB TYR 50 1HB TYR 50 -3.392 27.308 21.989 425 2HB TYR 50 2HB TYR 50 -1.874 28.129 21.983 426 HD1 TYR 50 HD1 TYR 50 -4.613 29.423 23.046 427 HD2 TYR 50 HD2 TYR 50 -2.730 29.732 19.118 428 HE1 TYR 50 HE1 TYR 50 -5.734 31.504 22.625 429 HE2 TYR 50 HE2 TYR 50 -3.872 31.783 18.766 430 HH TYR 50 HH TYR 50 -5.192 33.442 19.654 431 H GLU 51 H GLU 51 -3.537 25.186 21.001 432 HA GLU 51 HA GLU 51 -1.288 23.740 21.937 433 1HB GLU 51 1HB GLU 51 -4.086 22.862 21.220 434 2HB GLU 51 2HB GLU 51 -2.870 21.712 21.791 435 1HG GLU 51 1HG GLU 51 -2.558 22.848 23.862 436 2HG GLU 51 2HG GLU 51 -3.456 24.268 23.341 437 H PHE 52 H PHE 52 -2.786 23.730 18.731 438 HA PHE 52 HA PHE 52 -1.248 21.583 17.552 439 1HB PHE 52 1HB PHE 52 -3.059 22.568 16.277 440 2HB PHE 52 2HB PHE 52 -2.430 24.154 16.376 441 HD1 PHE 52 HD1 PHE 52 -2.153 20.940 14.647 442 HD2 PHE 52 HD2 PHE 52 -0.131 24.815 14.693 443 HE1 PHE 52 HE1 PHE 52 -1.109 20.438 12.579 444 HE2 PHE 52 HE2 PHE 52 0.870 24.202 12.596 445 HZ PHE 52 HZ PHE 52 0.418 22.096 11.497 446 H HIS 53 H HIS 53 -0.844 25.072 17.334 447 HA HIS 53 HA HIS 53 1.621 25.021 16.129 448 1HB HIS 53 1HB HIS 53 -0.027 26.899 16.380 449 2HB HIS 53 2HB HIS 53 0.598 27.198 18.022 450 HD1 HIS 53 HD1 HIS 53 1.886 26.467 14.594 451 HD2 HIS 53 HD2 HIS 53 2.694 29.252 17.590 452 HE1 HIS 53 HE1 HIS 53 3.582 27.869 13.664 453 H LYS 54 H LYS 54 0.815 25.034 19.440 454 HA LYS 54 HA LYS 54 3.498 25.284 20.450 455 1HB LYS 54 1HB LYS 54 2.623 25.293 22.468 456 2HB LYS 54 2HB LYS 54 1.035 25.140 21.753 457 1HG LYS 54 1HG LYS 54 1.194 22.656 21.971 458 2HG LYS 54 2HG LYS 54 2.804 22.856 22.694 459 1HD LYS 54 1HD LYS 54 1.920 23.939 24.622 460 2HD LYS 54 2HD LYS 54 0.318 24.115 23.881 461 1HE LYS 54 1HE LYS 54 0.378 22.264 25.528 462 2HE LYS 54 2HE LYS 54 -0.055 21.713 23.903 463 1HZ LYS 54 1HZ LYS 54 1.544 20.274 25.009 464 2HZ LYS 54 2HZ LYS 54 2.188 20.886 23.628 465 3HZ LYS 54 3HZ LYS 54 2.666 21.483 25.045 466 H THR 55 H THR 55 1.560 22.505 19.477 467 HA THR 55 HA THR 55 3.603 20.557 20.285 468 HB THR 55 HB THR 55 1.294 20.290 18.313 469 HG1 THR 55 HG1 THR 55 0.558 20.764 20.378 470 1HG2 THR 55 1HG2 THR 55 2.774 18.520 17.896 471 2HG2 THR 55 2HG2 THR 55 3.020 18.201 19.630 472 3HG2 THR 55 3HG2 THR 55 1.444 17.875 18.849 473 H LEU 56 H LEU 56 2.947 22.285 17.300 474 HA LEU 56 HA LEU 56 5.008 20.954 15.908 475 1HB LEU 56 1HB LEU 56 3.245 22.737 15.000 476 2HB LEU 56 2HB LEU 56 4.335 23.949 15.603 477 HG LEU 56 HG LEU 56 4.396 23.782 13.300 478 1HD1 LEU 56 1HD1 LEU 56 6.366 24.558 14.574 479 2HD1 LEU 56 2HD1 LEU 56 7.041 22.919 14.431 480 3HD1 LEU 56 3HD1 LEU 56 6.740 23.867 12.975 481 1HD2 LEU 56 1HD2 LEU 56 5.005 20.859 13.734 482 2HD2 LEU 56 2HD2 LEU 56 4.380 21.637 12.298 483 3HD2 LEU 56 3HD2 LEU 56 6.117 21.630 12.608 484 H LYS 57 H LYS 57 5.090 23.905 17.867 485 HA LYS 57 HA LYS 57 7.883 24.144 17.567 486 1HB LYS 57 1HB LYS 57 5.990 25.058 19.812 487 2HB LYS 57 2HB LYS 57 7.648 25.640 19.686 488 1HG LYS 57 1HG LYS 57 7.117 26.845 17.604 489 2HG LYS 57 2HG LYS 57 5.523 26.149 17.539 490 1HD LYS 57 1HD LYS 57 4.701 27.428 19.271 491 2HD LYS 57 2HD LYS 57 6.264 27.626 20.063 492 1HE LYS 57 1HE LYS 57 5.618 28.949 17.393 493 2HE LYS 57 2HE LYS 57 5.269 29.708 18.954 494 1HZ LYS 57 1HZ LYS 57 7.579 29.593 19.501 495 2HZ LYS 57 2HZ LYS 57 7.940 28.870 18.069 496 3HZ LYS 57 3HZ LYS 57 7.399 30.414 18.090 497 H GLU 58 H GLU 58 6.155 22.090 19.740 498 HA GLU 58 HA GLU 58 8.464 21.695 21.444 499 1HB GLU 58 1HB GLU 58 5.711 20.231 21.132 500 2HB GLU 58 2HB GLU 58 6.835 19.695 22.304 501 1HG GLU 58 1HG GLU 58 6.678 21.910 23.592 502 2HG GLU 58 2HG GLU 58 5.686 22.617 22.384 503 H MET 59 H MET 59 6.721 19.673 18.984 504 HA MET 59 HA MET 59 8.704 17.653 19.124 505 1HB MET 59 1HB MET 59 7.072 18.478 16.746 506 2HB MET 59 2HB MET 59 7.794 16.921 16.986 507 1HG MET 59 1HG MET 59 6.199 16.367 18.773 508 2HG MET 59 2HG MET 59 5.455 17.952 18.663 509 1HE MET 59 1HE MET 59 3.803 17.785 15.050 510 2HE MET 59 2HE MET 59 4.207 18.870 16.394 511 3HE MET 59 3HE MET 59 5.470 18.262 15.354 512 H PHE 60 H PHE 60 8.297 20.438 16.877 513 HA PHE 60 HA PHE 60 10.947 19.990 15.738 514 1HB PHE 60 1HB PHE 60 8.769 21.854 14.976 515 2HB PHE 60 2HB PHE 60 10.288 21.595 14.234 516 HD1 PHE 60 HD1 PHE 60 6.751 20.018 14.592 517 HD2 PHE 60 HD2 PHE 60 10.716 19.271 12.911 518 HE1 PHE 60 HE1 PHE 60 5.921 18.237 13.235 519 HE2 PHE 60 HE2 PHE 60 9.803 17.505 11.616 520 HZ PHE 60 HZ PHE 60 7.389 16.951 11.741 521 HA PRO 61 HA PRO 61 11.367 23.811 18.563 522 1HB PRO 61 1HB PRO 61 13.902 23.687 19.485 523 2HB PRO 61 2HB PRO 61 12.588 22.670 20.149 524 1HG PRO 61 1HG PRO 61 14.671 21.895 18.110 525 2HG PRO 61 2HG PRO 61 14.144 20.976 19.547 526 1HD PRO 61 1HD PRO 61 13.268 20.583 17.010 527 2HD PRO 61 2HD PRO 61 12.218 20.208 18.448 528 H ILE 62 H ILE 62 13.312 22.719 15.910 529 HA ILE 62 HA ILE 62 14.652 25.197 15.287 530 HB ILE 62 HB ILE 62 13.788 22.946 13.502 531 1HG1 ILE 62 1HG1 ILE 62 15.159 21.899 15.240 532 2HG1 ILE 62 2HG1 ILE 62 16.073 21.956 13.736 533 1HG2 ILE 62 1HG2 ILE 62 15.524 23.519 12.001 534 2HG2 ILE 62 2HG2 ILE 62 14.300 24.772 12.202 535 3HG2 ILE 62 3HG2 ILE 62 15.882 24.948 13.023 536 1HD1 ILE 62 1HD1 ILE 62 17.494 22.556 15.625 537 2HD1 ILE 62 2HD1 ILE 62 17.305 23.966 14.570 538 3HD1 ILE 62 3HD1 ILE 62 16.399 23.863 16.099 539 H GLU 63 H GLU 63 11.577 23.622 14.286 540 HA GLU 63 HA GLU 63 10.931 25.732 12.496 541 1HB GLU 63 1HB GLU 63 9.181 23.688 13.846 542 2HB GLU 63 2HB GLU 63 8.682 24.811 12.586 543 1HG GLU 63 1HG GLU 63 10.672 23.887 11.188 544 2HG GLU 63 2HG GLU 63 10.685 22.538 12.304 545 H ALA 64 H ALA 64 11.365 25.792 15.824 546 HA ALA 64 HA ALA 64 9.699 28.149 16.144 547 1HB ALA 64 1HB ALA 64 9.293 27.420 18.484 548 2HB ALA 64 2HB ALA 64 9.026 25.970 17.466 549 3HB ALA 64 3HB ALA 64 10.534 26.172 18.347 550 H GLY 65 H GLY 65 12.513 27.790 15.244 551 1HA GLY 65 1HA GLY 65 13.579 29.736 17.105 552 2HA GLY 65 2HA GLY 65 14.440 28.153 17.064 553 H ALA 66 H ALA 66 14.445 27.449 14.437 554 HA ALA 66 HA ALA 66 16.050 29.614 13.324 555 1HB ALA 66 1HB ALA 66 15.545 26.900 12.080 556 2HB ALA 66 2HB ALA 66 16.855 28.025 11.697 557 3HB ALA 66 3HB ALA 66 16.861 27.181 13.260 558 H ILE 67 H ILE 67 12.932 28.367 13.224 559 HA ILE 67 HA ILE 67 12.371 29.988 10.733 560 HB ILE 67 HB ILE 67 10.796 27.665 11.780 561 1HG1 ILE 67 1HG1 ILE 67 13.114 27.864 9.797 562 2HG1 ILE 67 2HG1 ILE 67 12.949 26.766 11.177 563 1HG2 ILE 67 1HG2 ILE 67 9.846 27.644 9.440 564 2HG2 ILE 67 2HG2 ILE 67 9.439 29.087 10.317 565 3HG2 ILE 67 3HG2 ILE 67 10.745 29.143 9.114 566 1HD1 ILE 67 1HD1 ILE 67 11.097 25.623 9.907 567 2HD1 ILE 67 2HD1 ILE 67 11.614 26.570 8.484 568 3HD1 ILE 67 3HD1 ILE 67 12.737 25.443 9.256 569 H ASN 68 H ASN 68 12.391 30.444 13.820 570 HA ASN 68 HA ASN 68 9.745 31.796 13.915 571 1HB ASN 68 1HB ASN 68 11.462 30.736 15.990 572 2HB ASN 68 2HB ASN 68 11.029 32.411 16.325 573 1HD2 ASN 68 1HD2 ASN 68 9.111 29.911 14.593 574 2HD2 ASN 68 2HD2 ASN 68 7.726 30.000 15.657 575 HA PRO 69 HA PRO 69 11.997 35.786 14.222 576 1HB PRO 69 1HB PRO 69 14.710 36.050 13.791 577 2HB PRO 69 2HB PRO 69 14.018 35.621 15.388 578 1HG PRO 69 1HG PRO 69 15.206 33.768 13.322 579 2HG PRO 69 2HG PRO 69 15.456 33.762 15.087 580 1HD PRO 69 1HD PRO 69 13.659 32.131 13.764 581 2HD PRO 69 2HD PRO 69 13.390 32.669 15.458 582 H GLU 70 H GLU 70 13.672 33.837 11.872 583 HA GLU 70 HA GLU 70 13.614 35.870 9.854 584 1HB GLU 70 1HB GLU 70 14.533 34.038 8.370 585 2HB GLU 70 2HB GLU 70 15.038 33.516 9.922 586 1HG GLU 70 1HG GLU 70 14.051 31.485 9.069 587 2HG GLU 70 2HG GLU 70 12.707 32.075 9.971 588 H ASN 71 H ASN 71 11.414 33.367 10.789 589 HA ASN 71 HA ASN 71 9.383 34.405 8.872 590 1HB ASN 71 1HB ASN 71 10.161 31.676 9.478 591 2HB ASN 71 2HB ASN 71 8.669 31.907 10.342 592 1HD2 ASN 71 1HD2 ASN 71 9.996 31.182 7.372 593 2HD2 ASN 71 2HD2 ASN 71 8.513 31.327 6.425 594 H ARG 72 H ARG 72 10.000 35.970 11.047 595 HA ARG 72 HA ARG 72 8.076 35.637 13.171 596 1HB ARG 72 1HB ARG 72 8.639 37.946 13.782 597 2HB ARG 72 2HB ARG 72 10.087 37.029 13.379 598 1HG ARG 72 1HG ARG 72 9.821 38.014 10.980 599 2HG ARG 72 2HG ARG 72 8.661 39.134 11.689 600 1HD ARG 72 1HD ARG 72 10.325 40.055 13.175 601 2HD ARG 72 2HD ARG 72 11.517 38.836 12.735 602 HE ARG 72 HE ARG 72 10.883 41.260 11.318 603 1HH1 ARG 72 1HH1 ARG 72 12.027 37.925 10.808 604 2HH1 ARG 72 2HH1 ARG 72 12.649 38.245 9.214 605 1HH2 ARG 72 1HH2 ARG 72 11.792 41.689 9.261 606 2HH2 ARG 72 2HH2 ARG 72 12.591 40.428 8.364 607 H ILE 73 H ILE 73 6.867 35.341 10.532 608 HA ILE 73 HA ILE 73 4.727 37.349 10.423 609 HB ILE 73 HB ILE 73 5.649 35.163 8.477 610 1HG1 ILE 73 1HG1 ILE 73 5.954 37.313 6.995 611 2HG1 ILE 73 2HG1 ILE 73 6.057 38.178 8.528 612 1HG2 ILE 73 1HG2 ILE 73 4.003 36.181 6.917 613 2HG2 ILE 73 2HG2 ILE 73 3.224 35.478 8.326 614 3HG2 ILE 73 3HG2 ILE 73 3.437 37.241 8.226 615 1HD1 ILE 73 1HD1 ILE 73 7.824 35.822 7.691 616 2HD1 ILE 73 2HD1 ILE 73 8.256 37.528 7.487 617 3HD1 ILE 73 3HD1 ILE 73 8.082 36.866 9.109 618 H ILE 74 H ILE 74 5.771 34.119 11.371 619 HA ILE 74 HA ILE 74 3.417 32.624 11.409 620 HB ILE 74 HB ILE 74 5.721 32.761 13.399 621 1HG1 ILE 74 1HG1 ILE 74 5.232 30.558 11.369 622 2HG1 ILE 74 2HG1 ILE 74 6.118 31.995 10.898 623 1HG2 ILE 74 1HG2 ILE 74 3.573 30.610 13.023 624 2HG2 ILE 74 2HG2 ILE 74 4.968 30.514 14.114 625 3HG2 ILE 74 3HG2 ILE 74 3.697 31.694 14.425 626 1HD1 ILE 74 1HD1 ILE 74 7.784 31.596 12.693 627 2HD1 ILE 74 2HD1 ILE 74 6.936 30.131 13.200 628 3HD1 ILE 74 3HD1 ILE 74 7.654 30.207 11.597 629 HA PRO 75 HA PRO 75 1.245 35.436 14.028 630 1HB PRO 75 1HB PRO 75 -1.124 34.209 14.521 631 2HB PRO 75 2HB PRO 75 -0.609 34.722 12.897 632 1HG PRO 75 1HG PRO 75 -0.201 31.958 14.109 633 2HG PRO 75 2HG PRO 75 -1.040 32.405 12.597 634 1HD PRO 75 1HD PRO 75 1.575 31.692 12.551 635 2HD PRO 75 2HD PRO 75 0.980 33.043 11.535 636 H HIS 76 H HIS 76 3.121 34.807 15.615 637 HA HIS 76 HA HIS 76 2.433 33.109 17.917 638 1HB HIS 76 1HB HIS 76 4.675 33.940 18.737 639 2HB HIS 76 2HB HIS 76 4.658 32.987 17.257 640 HD1 HIS 76 HD1 HIS 76 4.259 36.769 17.787 641 HD2 HIS 76 HD2 HIS 76 6.564 34.024 15.622 642 HE1 HIS 76 HE1 HIS 76 5.835 38.110 16.290 643 H LEU 77 H LEU 77 0.393 34.561 17.930 644 HA LEU 77 HA LEU 77 0.722 37.045 19.521 645 1HB LEU 77 1HB LEU 77 -1.347 35.897 17.651 646 2HB LEU 77 2HB LEU 77 -1.898 36.973 18.922 647 HG LEU 77 HG LEU 77 -0.356 38.744 18.163 648 1HD1 LEU 77 1HD1 LEU 77 1.452 37.491 17.107 649 2HD1 LEU 77 2HD1 LEU 77 0.323 36.788 15.923 650 3HD1 LEU 77 3HD1 LEU 77 0.697 38.522 15.891 651 1HD2 LEU 77 1HD2 LEU 77 -2.130 37.632 15.949 652 2HD2 LEU 77 2HD2 LEU 77 -2.682 38.621 17.320 653 3HD2 LEU 77 3HD2 LEU 77 -1.582 39.312 16.115 654 HA PRO 78 HA PRO 78 -0.708 35.105 23.201 655 1HB PRO 78 1HB PRO 78 -2.171 37.062 24.457 656 2HB PRO 78 2HB PRO 78 -0.411 37.190 24.181 657 1HG PRO 78 1HG PRO 78 -2.647 38.317 22.476 658 2HG PRO 78 2HG PRO 78 -1.240 39.195 23.146 659 1HD PRO 78 1HD PRO 78 -1.211 38.250 20.622 660 2HD PRO 78 2HD PRO 78 0.252 38.118 21.636 661 H ALA 79 H ALA 79 -2.822 34.932 24.636 662 HA ALA 79 HA ALA 79 -4.871 33.696 22.951 663 1HB ALA 79 1HB ALA 79 -3.906 32.430 24.793 664 2HB ALA 79 2HB ALA 79 -4.387 33.688 25.952 665 3HB ALA 79 3HB ALA 79 -5.618 32.714 25.127 666 HA PRO 80 HA PRO 80 -7.723 37.024 23.468 667 1HB PRO 80 1HB PRO 80 -10.111 35.911 22.994 668 2HB PRO 80 2HB PRO 80 -8.804 35.791 21.797 669 1HG PRO 80 1HG PRO 80 -9.513 33.714 23.903 670 2HG PRO 80 2HG PRO 80 -9.418 33.464 22.136 671 1HD PRO 80 1HD PRO 80 -7.304 32.960 23.742 672 2HD PRO 80 2HD PRO 80 -7.081 33.707 22.135 673 H LYS 81 H LYS 81 -6.831 36.708 25.954 674 HA LYS 81 HA LYS 81 -9.152 37.318 27.578 675 1HB LYS 81 1HB LYS 81 -8.705 35.611 29.300 676 2HB LYS 81 2HB LYS 81 -9.203 34.929 27.751 677 1HG LYS 81 1HG LYS 81 -7.574 33.488 28.557 678 2HG LYS 81 2HG LYS 81 -6.782 34.377 27.255 679 1HD LYS 81 1HD LYS 81 -5.553 35.735 28.886 680 2HD LYS 81 2HD LYS 81 -6.534 35.085 30.217 681 1HE LYS 81 1HE LYS 81 -5.592 32.818 29.771 682 2HE LYS 81 2HE LYS 81 -4.598 33.499 28.469 683 1HZ LYS 81 1HZ LYS 81 -4.454 34.230 31.314 684 2HZ LYS 81 2HZ LYS 81 -3.372 33.299 30.495 685 3HZ LYS 81 3HZ LYS 81 -3.537 34.893 30.118 686 H TRP 82 H TRP 82 -6.771 38.592 26.570 687 HA TRP 82 HA TRP 82 -5.238 39.289 29.021 688 1HB TRP 82 1HB TRP 82 -4.920 39.910 26.068 689 2HB TRP 82 2HB TRP 82 -4.054 40.786 27.326 690 HD1 TRP 82 HD1 TRP 82 -4.568 36.948 27.024 691 HE1 TRP 82 HE1 TRP 82 -2.260 35.806 27.095 692 HE3 TRP 82 HE3 TRP 82 -1.578 41.108 27.211 693 HZ2 TRP 82 HZ2 TRP 82 0.481 36.575 27.213 694 HZ3 TRP 82 HZ3 TRP 82 0.881 40.859 27.301 695 HH2 TRP 82 HH2 TRP 82 1.921 38.605 27.306 696 H PHE 83 H PHE 83 -7.551 40.573 26.646 697 HA PHE 83 HA PHE 83 -8.401 42.620 28.588 698 1HB PHE 83 1HB PHE 83 -6.684 43.614 27.006 699 2HB PHE 83 2HB PHE 83 -7.818 43.331 25.695 700 HD1 PHE 83 HD1 PHE 83 -7.313 45.079 28.965 701 HD2 PHE 83 HD2 PHE 83 -9.622 44.934 25.325 702 HE1 PHE 83 HE1 PHE 83 -8.362 47.253 29.535 703 HE2 PHE 83 HE2 PHE 83 -10.665 47.104 25.900 704 HZ PHE 83 HZ PHE 83 -10.038 48.268 28.005 705 H ASP 84 H ASP 84 -9.614 40.421 28.443 706 HA ASP 84 HA ASP 84 -11.350 39.370 26.838 707 1HB ASP 84 1HB ASP 84 -11.149 38.918 29.370 708 2HB ASP 84 2HB ASP 84 -12.166 40.310 29.675 709 H GLY 85 H GLY 85 -12.173 40.743 25.168 710 1HA GLY 85 1HA GLY 85 -14.759 41.693 25.357 711 2HA GLY 85 2HA GLY 85 -13.707 43.100 25.623 712 H GLN 86 H GLN 86 -13.777 44.191 23.520 713 HA GLN 86 HA GLN 86 -14.046 42.776 21.067 714 1HB GLN 86 1HB GLN 86 -13.007 45.581 21.684 715 2HB GLN 86 2HB GLN 86 -13.391 44.985 20.058 716 1HG GLN 86 1HG GLN 86 -15.730 44.595 20.708 717 2HG GLN 86 2HG GLN 86 -15.400 45.174 22.351 718 1HE2 GLN 86 1HE2 GLN 86 -17.429 46.384 20.985 719 2HE2 GLN 86 2HE2 GLN 86 -16.939 47.996 20.501 720 H ARG 87 H ARG 87 -11.261 43.326 23.006 721 HA ARG 87 HA ARG 87 -9.488 42.671 20.733 722 1HB ARG 87 1HB ARG 87 -9.150 44.211 23.118 723 2HB ARG 87 2HB ARG 87 -8.336 42.723 23.531 724 1HG ARG 87 1HG ARG 87 -7.790 44.478 21.081 725 2HG ARG 87 2HG ARG 87 -6.816 44.405 22.558 726 1HD ARG 87 1HD ARG 87 -6.334 41.994 22.089 727 2HD ARG 87 2HD ARG 87 -7.197 42.156 20.536 728 HE ARG 87 HE ARG 87 -5.301 44.191 20.568 729 1HH1 ARG 87 1HH1 ARG 87 -5.322 40.654 20.627 730 2HH1 ARG 87 2HH1 ARG 87 -3.833 40.469 19.753 731 1HH2 ARG 87 1HH2 ARG 87 -3.336 43.978 19.381 732 2HH2 ARG 87 2HH2 ARG 87 -2.699 42.400 19.016 733 H ALA 88 H ALA 88 -11.420 40.945 22.796 734 HA ALA 88 HA ALA 88 -9.656 38.571 22.873 735 1HB ALA 88 1HB ALA 88 -10.961 38.927 24.842 736 2HB ALA 88 2HB ALA 88 -12.488 38.952 23.919 737 3HB ALA 88 3HB ALA 88 -11.539 37.469 24.029 738 H ALA 89 H ALA 89 -12.356 40.026 21.297 739 HA ALA 89 HA ALA 89 -13.068 37.798 19.580 740 1HB ALA 89 1HB ALA 89 -14.417 39.475 18.376 741 2HB ALA 89 2HB ALA 89 -14.708 39.544 20.126 742 3HB ALA 89 3HB ALA 89 -13.694 40.774 19.347 743 H GLU 90 H GLU 90 -11.529 40.945 18.975 744 HA GLU 90 HA GLU 90 -10.457 40.163 16.407 745 1HB GLU 90 1HB GLU 90 -9.746 42.506 18.223 746 2HB GLU 90 2HB GLU 90 -9.223 42.324 16.544 747 1HG GLU 90 1HG GLU 90 -11.559 42.321 15.772 748 2HG GLU 90 2HG GLU 90 -12.136 42.523 17.433 749 H ASN 91 H ASN 91 -9.262 39.193 19.443 750 HA ASN 91 HA ASN 91 -6.452 39.131 18.451 751 1HB ASN 91 1HB ASN 91 -6.723 39.261 20.983 752 2HB ASN 91 2HB ASN 91 -7.781 37.861 20.996 753 1HD2 ASN 91 1HD2 ASN 91 -6.775 35.765 20.860 754 2HD2 ASN 91 2HD2 ASN 91 -5.029 35.606 20.929 755 H ARG 92 H ARG 92 -8.974 36.709 19.423 756 HA ARG 92 HA ARG 92 -7.607 34.656 17.990 757 1HB ARG 92 1HB ARG 92 -9.475 33.252 18.506 758 2HB ARG 92 2HB ARG 92 -9.252 34.313 19.902 759 1HG ARG 92 1HG ARG 92 -11.102 35.798 18.901 760 2HG ARG 92 2HG ARG 92 -11.346 34.527 17.696 761 1HD ARG 92 1HD ARG 92 -12.969 34.093 19.288 762 2HD ARG 92 2HD ARG 92 -11.691 32.919 19.661 763 HE ARG 92 HE ARG 92 -11.385 35.387 21.159 764 1HH1 ARG 92 1HH1 ARG 92 -13.440 32.495 20.987 765 2HH1 ARG 92 2HH1 ARG 92 -13.895 32.549 22.667 766 1HH2 ARG 92 1HH2 ARG 92 -11.973 35.419 23.421 767 2HH2 ARG 92 2HH2 ARG 92 -13.054 34.220 24.055 768 H GLN 93 H GLN 93 -10.007 36.976 17.014 769 HA GLN 93 HA GLN 93 -10.503 35.572 14.484 770 1HB GLN 93 1HB GLN 93 -12.200 36.879 15.712 771 2HB GLN 93 2HB GLN 93 -11.407 38.371 15.191 772 1HG GLN 93 1HG GLN 93 -12.442 36.212 13.284 773 2HG GLN 93 2HG GLN 93 -13.480 37.482 13.931 774 1HE2 GLN 93 1HE2 GLN 93 -12.099 39.812 13.780 775 2HE2 GLN 93 2HE2 GLN 93 -11.657 40.136 12.117 776 H GLY 94 H GLY 94 -7.856 37.335 15.545 777 1HA GLY 94 1HA GLY 94 -7.178 38.302 12.764 778 2HA GLY 94 2HA GLY 94 -6.469 38.889 14.268 779 H THR 95 H THR 95 -6.019 36.619 15.669 780 HA THR 95 HA THR 95 -3.608 35.584 14.560 781 HB THR 95 HB THR 95 -5.418 34.630 16.865 782 HG1 THR 95 HG1 THR 95 -4.766 36.690 17.228 783 1HG2 THR 95 1HG2 THR 95 -3.276 33.731 17.875 784 2HG2 THR 95 2HG2 THR 95 -3.781 32.844 16.421 785 3HG2 THR 95 3HG2 THR 95 -2.458 34.028 16.343 786 H LEU 96 H LEU 96 -6.866 34.178 14.807 787 HA LEU 96 HA LEU 96 -6.071 31.686 13.537 788 1HB LEU 96 1HB LEU 96 -8.078 31.982 14.939 789 2HB LEU 96 2HB LEU 96 -8.731 33.120 13.758 790 HG LEU 96 HG LEU 96 -9.934 31.232 13.425 791 1HD1 LEU 96 1HD1 LEU 96 -7.974 30.998 11.271 792 2HD1 LEU 96 2HD1 LEU 96 -9.686 30.590 11.428 793 3HD1 LEU 96 3HD1 LEU 96 -9.220 32.324 11.485 794 1HD2 LEU 96 1HD2 LEU 96 -8.212 29.523 14.336 795 2HD2 LEU 96 2HD2 LEU 96 -9.410 29.047 13.141 796 3HD2 LEU 96 3HD2 LEU 96 -7.760 29.325 12.625 797 H THR 97 H THR 97 -7.756 34.563 12.416 798 HA THR 97 HA THR 97 -7.902 34.095 9.656 799 HB THR 97 HB THR 97 -7.601 36.614 11.329 800 HG1 THR 97 HG1 THR 97 -9.717 36.707 10.999 801 1HG2 THR 97 1HG2 THR 97 -8.072 38.069 9.492 802 2HG2 THR 97 2HG2 THR 97 -6.459 37.365 9.441 803 3HG2 THR 97 3HG2 THR 97 -7.729 36.743 8.348 804 H GLU 98 H GLU 98 -5.085 35.148 11.441 805 HA GLU 98 HA GLU 98 -3.613 35.338 8.889 806 1HB GLU 98 1HB GLU 98 -3.303 37.031 10.796 807 2HB GLU 98 2HB GLU 98 -2.600 35.716 11.756 808 1HG GLU 98 1HG GLU 98 -0.826 35.458 10.036 809 2HG GLU 98 2HG GLU 98 -1.586 36.739 9.070 810 H TYR 99 H TYR 99 -3.800 33.191 11.716 811 HA TYR 99 HA TYR 99 -1.670 31.724 10.648 812 1HB TYR 99 1HB TYR 99 -2.939 31.195 13.007 813 2HB TYR 99 2HB TYR 99 -3.796 30.066 12.024 814 HD1 TYR 99 HD1 TYR 99 -0.114 30.470 11.012 815 HD2 TYR 99 HD2 TYR 99 -2.843 28.233 13.559 816 HE1 TYR 99 HE1 TYR 99 1.608 28.772 11.422 817 HE2 TYR 99 HE2 TYR 99 -1.026 26.572 13.918 818 HH TYR 99 HH TYR 99 0.991 25.899 13.266 819 H CYS 100 H CYS 100 -5.119 31.455 9.869 820 HA CYS 100 HA CYS 100 -4.741 29.031 8.386 821 1HB CYS 100 1HB CYS 100 -7.031 30.116 8.923 822 2HB CYS 100 2HB CYS 100 -6.681 31.307 7.647 823 HG CYS 100 HG CYS 100 -6.280 29.517 5.759 824 H SER 101 H SER 101 -4.426 32.436 7.441 825 HA SER 101 HA SER 101 -3.654 31.781 4.739 826 1HB SER 101 1HB SER 101 -2.937 34.275 6.392 827 2HB SER 101 2HB SER 101 -3.058 34.167 4.626 828 HG SER 101 HG SER 101 -5.104 34.189 6.575 829 H THR 102 H THR 102 -1.820 32.125 7.676 830 HA THR 102 HA THR 102 0.759 32.060 6.365 831 HB THR 102 HB THR 102 -0.018 32.216 9.302 832 HG1 THR 102 HG1 THR 102 0.858 34.181 7.449 833 1HG2 THR 102 1HG2 THR 102 2.206 33.230 9.617 834 2HG2 THR 102 2HG2 THR 102 2.216 31.481 9.342 835 3HG2 THR 102 3HG2 THR 102 2.691 32.618 8.035 836 H LEU 103 H LEU 103 -1.204 29.725 7.997 837 HA LEU 103 HA LEU 103 0.869 27.787 8.277 838 1HB LEU 103 1HB LEU 103 -2.012 27.917 8.545 839 2HB LEU 103 2HB LEU 103 -1.830 26.582 7.736 840 HG LEU 103 HG LEU 103 -0.572 26.846 10.456 841 1HD1 LEU 103 1HD1 LEU 103 -2.421 26.497 11.487 842 2HD1 LEU 103 2HD1 LEU 103 -3.258 27.064 10.079 843 3HD1 LEU 103 3HD1 LEU 103 -3.056 25.330 10.337 844 1HD2 LEU 103 1HD2 LEU 103 -0.811 24.469 10.734 845 2HD2 LEU 103 2HD2 LEU 103 -1.641 24.254 9.228 846 3HD2 LEU 103 3HD2 LEU 103 0.088 24.626 9.235 847 H MET 104 H MET 104 -1.218 28.821 5.590 848 HA MET 104 HA MET 104 -0.063 26.843 3.672 849 1HB MET 104 1HB MET 104 -2.172 29.030 3.519 850 2HB MET 104 2HB MET 104 -1.667 28.029 2.144 851 1HG MET 104 1HG MET 104 -2.998 27.034 4.681 852 2HG MET 104 2HG MET 104 -3.716 27.251 3.080 853 1HE MET 104 1HE MET 104 -1.352 23.600 4.486 854 2HE MET 104 2HE MET 104 -0.637 25.170 4.792 855 3HE MET 104 3HE MET 104 -2.214 24.789 5.494 856 H SER 105 H SER 105 0.825 29.749 4.899 857 HA SER 105 HA SER 105 2.105 30.606 2.367 858 1HB SER 105 1HB SER 105 1.094 32.417 4.193 859 2HB SER 105 2HB SER 105 2.563 31.971 5.071 860 HG SER 105 HG SER 105 2.820 33.765 3.686 861 H LEU 106 H LEU 106 3.020 29.496 5.697 862 HA LEU 106 HA LEU 106 5.431 29.734 5.643 863 1HB LEU 106 1HB LEU 106 4.001 27.242 6.579 864 2HB LEU 106 2HB LEU 106 5.634 27.722 7.000 865 HG LEU 106 HG LEU 106 3.129 28.803 8.106 866 1HD1 LEU 106 1HD1 LEU 106 4.369 27.255 9.307 867 2HD1 LEU 106 2HD1 LEU 106 5.853 28.253 9.214 868 3HD1 LEU 106 3HD1 LEU 106 4.421 28.818 10.115 869 1HD2 LEU 106 1HD2 LEU 106 5.706 30.430 7.924 870 2HD2 LEU 106 2HD2 LEU 106 4.135 30.923 7.231 871 3HD2 LEU 106 3HD2 LEU 106 4.340 30.796 8.982 872 HA PRO 107 HA PRO 107 7.404 27.517 2.464 873 1HB PRO 107 1HB PRO 107 10.019 27.800 3.013 874 2HB PRO 107 2HB PRO 107 8.992 29.206 2.565 875 1HG PRO 107 1HG PRO 107 9.866 28.314 5.338 876 2HG PRO 107 2HG PRO 107 9.848 29.977 4.697 877 1HD PRO 107 1HD PRO 107 7.857 28.787 6.258 878 2HD PRO 107 2HD PRO 107 7.586 30.208 5.190 879 H THR 108 H THR 108 7.273 26.569 5.594 880 HA THR 108 HA THR 108 8.818 24.043 5.324 881 HB THR 108 HB THR 108 7.538 23.827 7.616 882 HG1 THR 108 HG1 THR 108 7.586 26.629 7.552 883 1HG2 THR 108 1HG2 THR 108 9.869 24.056 7.729 884 2HG2 THR 108 2HG2 THR 108 9.780 25.789 7.280 885 3HG2 THR 108 3HG2 THR 108 9.154 25.231 8.852 886 H LYS 109 H LYS 109 7.125 24.399 3.316 887 HA LYS 109 HA LYS 109 4.608 23.176 4.086 888 1HB LYS 109 1HB LYS 109 5.686 24.461 1.653 889 2HB LYS 109 2HB LYS 109 5.453 22.811 1.171 890 1HG LYS 109 1HG LYS 109 3.396 23.661 0.570 891 2HG LYS 109 2HG LYS 109 3.030 23.078 2.197 892 1HD LYS 109 1HD LYS 109 2.103 25.272 2.094 893 2HD LYS 109 2HD LYS 109 3.609 25.458 3.004 894 1HE LYS 109 1HE LYS 109 4.708 26.124 0.731 895 2HE LYS 109 2HE LYS 109 3.075 26.117 0.055 896 1HZ LYS 109 1HZ LYS 109 2.516 27.837 1.639 897 2HZ LYS 109 2HZ LYS 109 4.042 27.780 2.280 898 3HZ LYS 109 3HZ LYS 109 3.813 28.291 0.736 899 H ILE 110 H ILE 110 7.615 21.879 3.533 900 HA ILE 110 HA ILE 110 6.521 19.177 3.030 901 HB ILE 110 HB ILE 110 9.404 20.110 3.370 902 1HG1 ILE 110 1HG1 ILE 110 7.771 19.529 0.852 903 2HG1 ILE 110 2HG1 ILE 110 8.358 21.113 1.375 904 1HG2 ILE 110 1HG2 ILE 110 8.288 17.462 2.341 905 2HG2 ILE 110 2HG2 ILE 110 10.007 17.903 2.435 906 3HG2 ILE 110 3HG2 ILE 110 9.087 17.702 3.910 907 1HD1 ILE 110 1HD1 ILE 110 10.048 18.794 0.394 908 2HD1 ILE 110 2HD1 ILE 110 9.817 20.383 -0.341 909 3HD1 ILE 110 3HD1 ILE 110 10.718 20.245 1.183 910 H SER 111 H SER 111 7.863 21.157 5.634 911 HA SER 111 HA SER 111 8.059 18.886 7.414 912 1HB SER 111 1HB SER 111 8.265 21.767 8.268 913 2HB SER 111 2HB SER 111 9.012 20.322 8.961 914 HG SER 111 HG SER 111 10.524 21.453 7.745 915 H ARG 112 H ARG 112 6.000 21.729 7.008 916 HA ARG 112 HA ARG 112 4.234 20.797 9.193 917 1HB ARG 112 1HB ARG 112 4.141 23.333 7.562 918 2HB ARG 112 2HB ARG 112 3.067 22.921 8.912 919 1HG ARG 112 1HG ARG 112 5.047 22.632 10.414 920 2HG ARG 112 2HG ARG 112 6.096 23.074 9.074 921 1HD ARG 112 1HD ARG 112 4.773 25.218 8.912 922 2HD ARG 112 2HD ARG 112 4.082 24.819 10.508 923 HE ARG 112 HE ARG 112 7.029 24.706 10.161 924 1HH1 ARG 112 1HH1 ARG 112 4.375 26.472 11.702 925 2HH1 ARG 112 2HH1 ARG 112 5.428 27.671 12.407 926 1HH2 ARG 112 1HH2 ARG 112 8.364 26.273 11.004 927 2HH2 ARG 112 2HH2 ARG 112 7.772 27.479 12.114 928 H CYS 113 H CYS 113 4.338 19.980 5.913 929 HA CYS 113 HA CYS 113 1.576 20.086 5.288 930 1HB CYS 113 1HB CYS 113 3.874 18.749 4.110 931 2HB CYS 113 2HB CYS 113 2.573 17.582 4.273 932 HG CYS 113 HG CYS 113 2.513 18.569 1.903 933 HA PRO 114 HA PRO 114 0.997 15.788 7.370 934 1HB PRO 114 1HB PRO 114 2.938 14.900 9.155 935 2HB PRO 114 2HB PRO 114 2.874 14.428 7.432 936 1HG PRO 114 1HG PRO 114 4.494 16.669 8.676 937 2HG PRO 114 2HG PRO 114 5.065 15.404 7.546 938 1HD PRO 114 1HD PRO 114 4.454 17.811 6.616 939 2HD PRO 114 2HD PRO 114 3.863 16.382 5.730 940 H HIS 115 H HIS 115 2.538 18.422 9.094 941 HA HIS 115 HA HIS 115 1.028 17.800 11.423 942 1HB HIS 115 1HB HIS 115 3.101 19.273 11.308 943 2HB HIS 115 2HB HIS 115 2.005 20.596 10.923 944 HD1 HIS 115 HD1 HIS 115 1.230 17.764 13.428 945 HD2 HIS 115 HD2 HIS 115 2.237 21.835 13.471 946 HE1 HIS 115 HE1 HIS 115 0.981 18.588 15.816 947 H LEU 116 H LEU 116 0.377 20.248 8.758 948 HA LEU 116 HA LEU 116 -1.916 20.942 9.705 949 1HB LEU 116 1HB LEU 116 -0.823 21.838 7.558 950 2HB LEU 116 2HB LEU 116 -1.655 20.554 6.681 951 HG LEU 116 HG LEU 116 -2.622 23.095 7.781 952 1HD1 LEU 116 1HD1 LEU 116 -4.190 21.078 6.007 953 2HD1 LEU 116 2HD1 LEU 116 -4.454 22.815 6.041 954 3HD1 LEU 116 3HD1 LEU 116 -3.012 22.148 5.251 955 1HD2 LEU 116 1HD2 LEU 116 -4.604 20.979 8.187 956 2HD2 LEU 116 2HD2 LEU 116 -3.695 21.931 9.412 957 3HD2 LEU 116 3HD2 LEU 116 -4.773 22.728 8.303 958 H LEU 117 H LEU 117 -1.306 18.248 7.506 959 HA LEU 117 HA LEU 117 -3.913 17.059 7.236 960 1HB LEU 117 1HB LEU 117 -1.215 15.704 7.424 961 2HB LEU 117 2HB LEU 117 -2.760 14.911 7.210 962 HG LEU 117 HG LEU 117 -2.986 16.466 4.991 963 1HD1 LEU 117 1HD1 LEU 117 -0.866 16.704 3.867 964 2HD1 LEU 117 2HD1 LEU 117 -1.095 17.852 5.182 965 3HD1 LEU 117 3HD1 LEU 117 -0.016 16.427 5.392 966 1HD2 LEU 117 1HD2 LEU 117 -1.094 14.186 5.024 967 2HD2 LEU 117 2HD2 LEU 117 -2.856 13.979 5.304 968 3HD2 LEU 117 3HD2 LEU 117 -2.307 14.752 3.832 969 H ASP 118 H ASP 118 -1.546 16.489 9.824 970 HA ASP 118 HA ASP 118 -3.507 15.068 11.453 971 1HB ASP 118 1HB ASP 118 -0.780 16.363 11.831 972 2HB ASP 118 2HB ASP 118 -1.655 15.892 13.257 973 H PHE 119 H PHE 119 -3.578 18.262 10.726 974 HA PHE 119 HA PHE 119 -4.470 19.361 13.321 975 1HB PHE 119 1HB PHE 119 -3.237 20.434 11.124 976 2HB PHE 119 2HB PHE 119 -4.911 20.716 10.626 977 HD1 PHE 119 HD1 PHE 119 -2.219 22.787 11.108 978 HD2 PHE 119 HD2 PHE 119 -5.806 21.668 13.222 979 HE1 PHE 119 HE1 PHE 119 -2.172 24.779 12.406 980 HE2 PHE 119 HE2 PHE 119 -5.751 23.806 14.520 981 HZ PHE 119 HZ PHE 119 -3.859 25.378 14.079 982 H PHE 120 H PHE 120 -5.456 18.321 10.201 983 HA PHE 120 HA PHE 120 -8.367 18.590 10.680 984 1HB PHE 120 1HB PHE 120 -6.448 17.929 8.328 985 2HB PHE 120 2HB PHE 120 -8.196 18.026 8.163 986 HD1 PHE 120 HD1 PHE 120 -6.540 19.539 6.389 987 HD2 PHE 120 HD2 PHE 120 -7.904 20.625 10.320 988 HE1 PHE 120 HE1 PHE 120 -6.570 21.916 5.732 989 HE2 PHE 120 HE2 PHE 120 -7.941 22.985 9.669 990 HZ PHE 120 HZ PHE 120 -7.294 23.652 7.400 991 H LYS 121 H LYS 121 -6.303 15.970 9.426 992 HA LYS 121 HA LYS 121 -8.430 14.139 9.286 993 1HB LYS 121 1HB LYS 121 -6.996 12.461 8.697 994 2HB LYS 121 2HB LYS 121 -6.269 13.955 8.088 995 1HG LYS 121 1HG LYS 121 -4.925 13.992 10.221 996 2HG LYS 121 2HG LYS 121 -5.474 12.342 10.544 997 1HD LYS 121 1HD LYS 121 -4.300 11.462 8.634 998 2HD LYS 121 2HD LYS 121 -4.047 13.083 7.952 999 1HE LYS 121 1HE LYS 121 -2.684 13.720 9.876 1000 2HE LYS 121 2HE LYS 121 -2.870 12.118 10.609 1001 1HZ LYS 121 1HZ LYS 121 -1.598 11.250 8.767 1002 2HZ LYS 121 2HZ LYS 121 -1.527 12.688 8.030 1003 3HZ LYS 121 3HZ LYS 121 -0.799 12.519 9.507 1004 H VAL 122 H VAL 122 -6.642 15.222 12.010 1005 HA VAL 122 HA VAL 122 -7.620 13.010 13.723 1006 HB VAL 122 HB VAL 122 -5.578 15.158 14.314 1007 1HG1 VAL 122 1HG1 VAL 122 -6.374 12.641 15.841 1008 2HG1 VAL 122 2HG1 VAL 122 -5.002 13.698 16.233 1009 3HG1 VAL 122 3HG1 VAL 122 -6.653 14.317 16.365 1010 1HG2 VAL 122 1HG2 VAL 122 -5.321 12.222 13.498 1011 2HG2 VAL 122 2HG2 VAL 122 -4.802 13.617 12.548 1012 3HG2 VAL 122 3HG2 VAL 122 -3.970 13.241 14.054 1013 H ARG 123 H ARG 123 -7.655 16.611 13.486 1014 HA ARG 123 HA ARG 123 -8.796 18.072 14.955 1015 1HB ARG 123 1HB ARG 123 -9.768 17.843 12.665 1016 2HB ARG 123 2HB ARG 123 -11.025 16.875 13.417 1017 1HG ARG 123 1HG ARG 123 -11.884 19.074 13.402 1018 2HG ARG 123 2HG ARG 123 -11.357 18.885 15.039 1019 1HD ARG 123 1HD ARG 123 -9.175 19.895 13.309 1020 2HD ARG 123 2HD ARG 123 -10.572 20.924 13.275 1021 HE ARG 123 HE ARG 123 -10.575 21.084 15.682 1022 1HH1 ARG 123 1HH1 ARG 123 -7.417 20.112 14.259 1023 2HH1 ARG 123 2HH1 ARG 123 -6.553 20.612 15.687 1024 1HH2 ARG 123 1HH2 ARG 123 -9.441 21.367 17.544 1025 2HH2 ARG 123 2HH2 ARG 123 -7.702 21.291 17.598 1026 HA PRO 124 HA PRO 124 -10.751 15.665 18.183 1027 1HB PRO 124 1HB PRO 124 -9.686 16.843 20.442 1028 2HB PRO 124 2HB PRO 124 -8.705 15.734 19.443 1029 1HG PRO 124 1HG PRO 124 -8.826 18.759 19.232 1030 2HG PRO 124 2HG PRO 124 -7.362 17.753 19.436 1031 1HD PRO 124 1HD PRO 124 -8.192 18.592 17.001 1032 2HD PRO 124 2HD PRO 124 -7.504 16.962 17.194 1033 H ASP 125 H ASP 125 -11.805 17.755 16.604 1034 HA ASP 125 HA ASP 125 -13.927 18.346 18.417 1035 1HB ASP 125 1HB ASP 125 -12.864 20.458 16.446 1036 2HB ASP 125 2HB ASP 125 -14.170 20.722 17.624 1037 H ASP 126 H ASP 126 -12.917 17.075 15.591 1038 HA ASP 126 HA ASP 126 -15.495 17.543 14.218 1039 1HB ASP 126 1HB ASP 126 -13.498 17.577 12.766 1040 2HB ASP 126 2HB ASP 126 -12.964 16.027 13.454 1041 H LEU 127 H LEU 127 -13.405 14.802 15.357 1042 HA LEU 127 HA LEU 127 -15.845 13.313 16.094 1043 1HB LEU 127 1HB LEU 127 -13.584 12.586 14.131 1044 2HB LEU 127 2HB LEU 127 -14.484 11.278 14.782 1045 HG LEU 127 HG LEU 127 -16.033 13.422 13.119 1046 1HD1 LEU 127 1HD1 LEU 127 -15.120 10.605 12.469 1047 2HD1 LEU 127 2HD1 LEU 127 -16.122 11.688 11.476 1048 3HD1 LEU 127 3HD1 LEU 127 -14.423 12.102 11.794 1049 1HD2 LEU 127 1HD2 LEU 127 -17.422 12.295 14.837 1050 2HD2 LEU 127 2HD2 LEU 127 -17.775 11.721 13.206 1051 3HD2 LEU 127 3HD2 LEU 127 -16.807 10.717 14.299 1052 H LYS 128 H LYS 128 -13.584 14.720 17.506 1053 HA LYS 128 HA LYS 128 -13.047 12.538 19.318 1054 1HB LYS 128 1HB LYS 128 -10.978 13.756 17.456 1055 2HB LYS 128 2HB LYS 128 -10.439 13.661 19.134 1056 1HG LYS 128 1HG LYS 128 -10.938 11.200 19.082 1057 2HG LYS 128 2HG LYS 128 -11.410 11.384 17.380 1058 1HD LYS 128 1HD LYS 128 -9.098 12.406 16.954 1059 2HD LYS 128 2HD LYS 128 -8.679 11.935 18.606 1060 1HE LYS 128 1HE LYS 128 -7.846 10.246 17.100 1061 2HE LYS 128 2HE LYS 128 -9.191 9.542 18.013 1062 1HZ LYS 128 1HZ LYS 128 -9.363 10.633 15.278 1063 2HZ LYS 128 2HZ LYS 128 -9.275 9.035 15.662 1064 3HZ LYS 128 3HZ LYS 128 -10.591 9.915 16.106 1065 H LEU 129 H LEU 129 -14.687 14.743 19.206 1066 HA LEU 129 HA LEU 129 -14.039 16.977 20.688 1067 1HB LEU 129 1HB LEU 129 -16.525 15.196 20.401 1068 2HB LEU 129 2HB LEU 129 -16.677 16.714 21.185 1069 HG LEU 129 HG LEU 129 -15.667 16.756 18.232 1070 1HD1 LEU 129 1HD1 LEU 129 -17.605 15.284 18.315 1071 2HD1 LEU 129 2HD1 LEU 129 -18.506 16.496 19.258 1072 3HD1 LEU 129 3HD1 LEU 129 -17.985 16.860 17.590 1073 1HD2 LEU 129 1HD2 LEU 129 -16.853 18.908 18.352 1074 2HD2 LEU 129 2HD2 LEU 129 -17.400 18.573 19.995 1075 3HD2 LEU 129 3HD2 LEU 129 -15.675 18.846 19.679 1076 HA PRO 130 HA PRO 130 -14.028 15.288 24.850 1077 1HB PRO 130 1HB PRO 130 -14.854 17.229 26.492 1078 2HB PRO 130 2HB PRO 130 -13.461 17.483 25.400 1079 1HG PRO 130 1HG PRO 130 -16.292 18.435 25.062 1080 2HG PRO 130 2HG PRO 130 -14.770 19.312 24.703 1081 1HD PRO 130 1HD PRO 130 -16.418 17.865 22.950 1082 2HD PRO 130 2HD PRO 130 -14.768 18.423 22.557 Start of MODEL 20 1 1H GLY 1 1H GLY 1 4.843 4.025 -1.896 2 2H GLY 1 2H GLY 1 4.283 5.284 -1.008 3 3H GLY 1 3H GLY 1 5.597 4.426 -0.478 4 1HA GLY 1 1HA GLY 1 4.236 2.461 -0.217 5 2HA GLY 1 2HA GLY 1 3.665 3.817 0.782 6 H SER 2 H SER 2 1.805 1.937 0.321 7 HA SER 2 HA SER 2 0.270 2.397 -2.108 8 1HB SER 2 1HB SER 2 0.467 0.203 -0.928 9 2HB SER 2 2HB SER 2 -0.510 0.865 0.397 10 HG SER 2 HG SER 2 -1.265 0.663 -2.344 11 H MET 3 H MET 3 0.394 4.799 -1.500 12 HA MET 3 HA MET 3 -0.338 6.646 -0.223 13 1HB MET 3 1HB MET 3 -0.775 6.533 -2.671 14 2HB MET 3 2HB MET 3 -2.417 6.018 -2.311 15 1HG MET 3 1HG MET 3 -2.221 8.281 -0.723 16 2HG MET 3 2HG MET 3 -1.065 8.675 -1.985 17 1HE MET 3 1HE MET 3 -4.718 7.968 -0.969 18 2HE MET 3 2HE MET 3 -5.609 8.059 -2.502 19 3HE MET 3 3HE MET 3 -4.539 6.682 -2.179 20 H GLY 4 H GLY 4 -0.913 5.650 1.931 21 1HA GLY 4 1HA GLY 4 -3.869 5.679 2.491 22 2HA GLY 4 2HA GLY 4 -2.667 4.705 3.377 23 H ASP 5 H ASP 5 -2.704 8.034 2.166 24 HA ASP 5 HA ASP 5 -3.057 9.180 4.744 25 1HB ASP 5 1HB ASP 5 -0.409 8.378 4.474 26 2HB ASP 5 2HB ASP 5 -0.268 9.827 3.513 27 H THR 6 H THR 6 -1.684 9.597 1.536 28 HA THR 6 HA THR 6 -1.674 11.146 -0.061 29 HB THR 6 HB THR 6 -3.886 10.058 -0.255 30 HG1 THR 6 HG1 THR 6 -4.245 11.392 -1.953 31 1HG2 THR 6 1HG2 THR 6 -4.662 12.642 1.166 32 2HG2 THR 6 2HG2 THR 6 -5.749 11.716 0.125 33 3HG2 THR 6 3HG2 THR 6 -5.025 10.966 1.589 34 H PHE 7 H PHE 7 -3.225 13.484 -0.423 35 HA PHE 7 HA PHE 7 -2.024 15.273 1.619 36 1HB PHE 7 1HB PHE 7 -1.522 15.543 -1.316 37 2HB PHE 7 2HB PHE 7 -0.723 16.376 -0.019 38 HD1 PHE 7 HD1 PHE 7 -0.817 13.081 -1.937 39 HD2 PHE 7 HD2 PHE 7 0.736 14.813 1.762 40 HE1 PHE 7 HE1 PHE 7 0.744 11.270 -1.698 41 HE2 PHE 7 HE2 PHE 7 2.267 12.968 1.938 42 HZ PHE 7 HZ PHE 7 2.315 11.175 0.224 43 H ILE 8 H ILE 8 -2.346 17.596 1.156 44 HA ILE 8 HA ILE 8 -5.193 17.922 1.135 45 HB ILE 8 HB ILE 8 -2.983 19.961 1.712 46 1HG1 ILE 8 1HG1 ILE 8 -2.758 17.966 3.218 47 2HG1 ILE 8 2HG1 ILE 8 -3.124 19.473 4.026 48 1HG2 ILE 8 1HG2 ILE 8 -4.917 21.177 1.461 49 2HG2 ILE 8 2HG2 ILE 8 -5.949 19.962 2.251 50 3HG2 ILE 8 3HG2 ILE 8 -4.800 20.938 3.203 51 1HD1 ILE 8 1HD1 ILE 8 -5.553 18.818 4.126 52 2HD1 ILE 8 2HD1 ILE 8 -5.113 17.240 3.447 53 3HD1 ILE 8 3HD1 ILE 8 -4.485 17.752 5.029 54 H ARG 9 H ARG 9 -6.364 19.574 -0.157 55 HA ARG 9 HA ARG 9 -4.951 20.364 -2.653 56 1HB ARG 9 1HB ARG 9 -7.505 19.399 -2.479 57 2HB ARG 9 2HB ARG 9 -7.906 20.999 -1.934 58 1HG ARG 9 1HG ARG 9 -6.599 20.277 -4.584 59 2HG ARG 9 2HG ARG 9 -8.273 20.774 -4.300 60 1HD ARG 9 1HD ARG 9 -7.397 22.990 -3.441 61 2HD ARG 9 2HD ARG 9 -5.770 22.466 -3.955 62 HE ARG 9 HE ARG 9 -7.604 22.189 -6.117 63 1HH1 ARG 9 1HH1 ARG 9 -5.828 24.648 -4.286 64 2HH1 ARG 9 2HH1 ARG 9 -5.744 25.778 -5.608 65 1HH2 ARG 9 1HH2 ARG 9 -7.504 23.681 -7.866 66 2HH2 ARG 9 2HH2 ARG 9 -6.713 25.218 -7.669 67 H HIS 10 H HIS 10 -7.090 21.741 -0.122 68 HA HIS 10 HA HIS 10 -5.295 23.597 0.917 69 1HB HIS 10 1HB HIS 10 -5.662 25.538 -0.287 70 2HB HIS 10 2HB HIS 10 -6.050 24.514 -1.624 71 HD1 HIS 10 HD1 HIS 10 -7.169 27.505 -0.737 72 HD2 HIS 10 HD2 HIS 10 -9.248 23.877 -0.906 73 HE1 HIS 10 HE1 HIS 10 -9.641 28.044 -1.002 74 H ILE 11 H ILE 11 -6.681 25.500 1.948 75 HA ILE 11 HA ILE 11 -8.841 24.175 3.405 76 HB ILE 11 HB ILE 11 -7.299 26.480 4.558 77 1HG1 ILE 11 1HG1 ILE 11 -6.318 23.602 4.722 78 2HG1 ILE 11 2HG1 ILE 11 -5.531 24.898 3.833 79 1HG2 ILE 11 1HG2 ILE 11 -8.762 24.060 5.716 80 2HG2 ILE 11 2HG2 ILE 11 -7.951 25.309 6.685 81 3HG2 ILE 11 3HG2 ILE 11 -9.339 25.728 5.687 82 1HD1 ILE 11 1HD1 ILE 11 -4.325 24.712 5.823 83 2HD1 ILE 11 2HD1 ILE 11 -5.255 26.217 5.914 84 3HD1 ILE 11 3HD1 ILE 11 -5.760 24.800 6.845 85 H ALA 12 H ALA 12 -10.739 25.500 3.921 86 HA ALA 12 HA ALA 12 -10.865 28.200 2.754 87 1HB ALA 12 1HB ALA 12 -11.813 26.781 1.011 88 2HB ALA 12 2HB ALA 12 -12.823 25.928 2.209 89 3HB ALA 12 3HB ALA 12 -13.106 27.652 1.868 90 H LEU 13 H LEU 13 -11.629 29.340 4.633 91 HA LEU 13 HA LEU 13 -12.613 27.674 6.736 92 1HB LEU 13 1HB LEU 13 -10.891 29.249 7.033 93 2HB LEU 13 2HB LEU 13 -11.956 30.631 6.831 94 HG LEU 13 HG LEU 13 -11.898 28.574 9.248 95 1HD1 LEU 13 1HD1 LEU 13 -10.577 30.008 10.326 96 2HD1 LEU 13 2HD1 LEU 13 -9.789 29.881 8.781 97 3HD1 LEU 13 3HD1 LEU 13 -10.730 31.343 9.175 98 1HD2 LEU 13 1HD2 LEU 13 -12.786 30.304 10.588 99 2HD2 LEU 13 2HD2 LEU 13 -13.055 31.354 9.188 100 3HD2 LEU 13 3HD2 LEU 13 -13.970 29.813 9.373 101 H LEU 14 H LEU 14 -14.816 27.806 7.519 102 HA LEU 14 HA LEU 14 -16.607 29.137 5.513 103 1HB LEU 14 1HB LEU 14 -16.855 26.634 6.957 104 2HB LEU 14 2HB LEU 14 -17.858 27.679 7.857 105 HG LEU 14 HG LEU 14 -18.936 28.494 5.684 106 1HD1 LEU 14 1HD1 LEU 14 -17.154 27.490 4.108 107 2HD1 LEU 14 2HD1 LEU 14 -17.829 25.916 4.528 108 3HD1 LEU 14 3HD1 LEU 14 -18.831 27.101 3.706 109 1HD2 LEU 14 1HD2 LEU 14 -19.299 25.600 6.550 110 2HD2 LEU 14 2HD2 LEU 14 -20.083 27.029 7.252 111 3HD2 LEU 14 3HD2 LEU 14 -20.457 26.544 5.588 112 H GLY 15 H GLY 15 -16.081 28.877 9.005 113 1HA GLY 15 1HA GLY 15 -15.917 31.642 9.389 114 2HA GLY 15 2HA GLY 15 -17.657 31.450 9.246 115 H PHE 16 H PHE 16 -18.780 31.277 10.978 116 HA PHE 16 HA PHE 16 -17.456 31.296 13.555 117 1HB PHE 16 1HB PHE 16 -20.366 31.555 12.861 118 2HB PHE 16 2HB PHE 16 -19.619 32.036 14.344 119 HD1 PHE 16 HD1 PHE 16 -17.359 33.839 13.918 120 HD2 PHE 16 HD2 PHE 16 -20.737 33.442 11.160 121 HE1 PHE 16 HE1 PHE 16 -16.886 35.978 12.959 122 HE2 PHE 16 HE2 PHE 16 -20.197 35.588 10.259 123 HZ PHE 16 HZ PHE 16 -18.278 36.900 11.125 124 H GLU 17 H GLU 17 -19.103 30.236 15.312 125 HA GLU 17 HA GLU 17 -20.650 28.081 14.919 126 1HB GLU 17 1HB GLU 17 -17.867 27.193 14.797 127 2HB GLU 17 2HB GLU 17 -18.699 26.491 16.191 128 1HG GLU 17 1HG GLU 17 -19.695 26.327 13.343 129 2HG GLU 17 2HG GLU 17 -18.943 25.026 14.274 130 H LYS 18 H LYS 18 -20.953 26.820 17.097 131 HA LYS 18 HA LYS 18 -20.777 28.683 19.351 132 1HB LYS 18 1HB LYS 18 -23.076 28.159 19.858 133 2HB LYS 18 2HB LYS 18 -22.836 29.155 18.427 134 1HG LYS 18 1HG LYS 18 -23.363 26.166 18.185 135 2HG LYS 18 2HG LYS 18 -24.662 27.331 18.405 136 1HD LYS 18 1HD LYS 18 -24.134 28.449 16.323 137 2HD LYS 18 2HD LYS 18 -22.707 27.432 16.084 138 1HE LYS 18 1HE LYS 18 -24.220 25.394 16.177 139 2HE LYS 18 2HE LYS 18 -25.600 26.510 16.104 140 1HZ LYS 18 1HZ LYS 18 -24.995 25.692 13.954 141 2HZ LYS 18 2HZ LYS 18 -24.647 27.307 13.998 142 3HZ LYS 18 3HZ LYS 18 -23.440 26.185 14.135 143 H ARG 19 H ARG 19 -19.288 27.386 20.594 144 HA ARG 19 HA ARG 19 -20.372 24.817 21.634 145 1HB ARG 19 1HB ARG 19 -17.492 25.690 21.200 146 2HB ARG 19 2HB ARG 19 -18.016 24.372 22.240 147 1HG ARG 19 1HG ARG 19 -19.269 23.446 20.136 148 2HG ARG 19 2HG ARG 19 -18.309 24.603 19.206 149 1HD ARG 19 1HD ARG 19 -17.249 22.352 19.262 150 2HD ARG 19 2HD ARG 19 -16.232 23.551 20.086 151 HE ARG 19 HE ARG 19 -18.105 22.248 21.873 152 1HH1 ARG 19 1HH1 ARG 19 -14.984 21.632 20.276 153 2HH1 ARG 19 2HH1 ARG 19 -14.286 20.863 21.648 154 1HH2 ARG 19 1HH2 ARG 19 -17.128 21.466 23.751 155 2HH2 ARG 19 2HH2 ARG 19 -15.596 20.641 23.664 156 H PHE 20 H PHE 20 -21.468 25.438 23.422 157 HA PHE 20 HA PHE 20 -20.493 27.635 24.941 158 1HB PHE 20 1HB PHE 20 -22.648 25.554 25.711 159 2HB PHE 20 2HB PHE 20 -22.861 27.202 26.073 160 HD1 PHE 20 HD1 PHE 20 -23.627 24.484 23.523 161 HD2 PHE 20 HD2 PHE 20 -23.367 28.864 23.752 162 HE1 PHE 20 HE1 PHE 20 -24.904 24.715 21.557 163 HE2 PHE 20 HE2 PHE 20 -24.662 28.989 21.772 164 HZ PHE 20 HZ PHE 20 -25.469 26.941 20.628 165 H VAL 21 H VAL 21 -19.968 24.260 24.883 166 HA VAL 21 HA VAL 21 -19.150 24.206 27.619 167 HB VAL 21 HB VAL 21 -20.197 21.593 27.096 168 1HG1 VAL 21 1HG1 VAL 21 -20.915 23.195 28.948 169 2HG1 VAL 21 2HG1 VAL 21 -21.903 24.044 27.741 170 3HG1 VAL 21 3HG1 VAL 21 -22.268 22.356 28.149 171 1HG2 VAL 21 1HG2 VAL 21 -21.903 23.217 25.386 172 2HG2 VAL 21 2HG2 VAL 21 -20.583 22.116 24.857 173 3HG2 VAL 21 3HG2 VAL 21 -21.942 21.491 25.825 174 HA PRO 22 HA PRO 22 -18.277 21.905 28.625 175 1HB PRO 22 1HB PRO 22 -15.876 21.360 29.806 176 2HB PRO 22 2HB PRO 22 -16.691 20.227 28.687 177 1HG PRO 22 1HG PRO 22 -14.535 22.246 28.014 178 2HG PRO 22 2HG PRO 22 -14.574 20.504 27.598 179 1HD PRO 22 1HD PRO 22 -15.401 22.468 25.894 180 2HD PRO 22 2HD PRO 22 -16.208 20.858 25.923 181 H SER 23 H SER 23 -16.482 24.424 27.407 182 HA SER 23 HA SER 23 -16.890 26.081 29.783 183 1HB SER 23 1HB SER 23 -14.306 25.835 28.049 184 2HB SER 23 2HB SER 23 -14.574 27.258 29.037 185 HG SER 23 HG SER 23 -14.712 24.612 30.052 186 H GLN 24 H GLN 24 -16.877 28.525 29.156 187 HA GLN 24 HA GLN 24 -18.716 28.733 26.998 188 1HB GLN 24 1HB GLN 24 -17.593 31.069 28.482 189 2HB GLN 24 2HB GLN 24 -19.141 30.792 27.728 190 1HG GLN 24 1HG GLN 24 -18.312 29.291 30.396 191 2HG GLN 24 2HG GLN 24 -19.543 30.501 30.319 192 1HE2 GLN 24 1HE2 GLN 24 -21.174 29.924 28.248 193 2HE2 GLN 24 2HE2 GLN 24 -21.777 28.284 28.419 194 H HIS 25 H HIS 25 -17.828 28.953 24.769 195 HA HIS 25 HA HIS 25 -16.133 31.155 24.276 196 1HB HIS 25 1HB HIS 25 -14.505 29.203 23.188 197 2HB HIS 25 2HB HIS 25 -14.192 29.831 24.830 198 HD1 HIS 25 HD1 HIS 25 -16.654 27.195 23.458 199 HD2 HIS 25 HD2 HIS 25 -13.306 27.441 25.964 200 HE1 HIS 25 HE1 HIS 25 -16.274 24.901 24.398 201 H TYR 26 H TYR 26 -17.172 31.798 22.161 202 HA TYR 26 HA TYR 26 -18.214 29.598 20.599 203 1HB TYR 26 1HB TYR 26 -17.927 32.567 20.102 204 2HB TYR 26 2HB TYR 26 -18.112 31.530 18.739 205 HD1 TYR 26 HD1 TYR 26 -19.993 30.696 22.010 206 HD2 TYR 26 HD2 TYR 26 -20.480 32.381 17.989 207 HE1 TYR 26 HE1 TYR 26 -22.353 30.632 22.222 208 HE2 TYR 26 HE2 TYR 26 -22.833 32.283 18.288 209 HH TYR 26 HH TYR 26 -24.596 31.748 19.676 210 H VAL 27 H VAL 27 -17.474 28.985 18.444 211 HA VAL 27 HA VAL 27 -14.494 29.164 18.156 212 HB VAL 27 HB VAL 27 -14.425 26.789 17.871 213 1HG1 VAL 27 1HG1 VAL 27 -16.254 27.253 20.224 214 2HG1 VAL 27 2HG1 VAL 27 -15.127 25.921 19.989 215 3HG1 VAL 27 3HG1 VAL 27 -14.509 27.574 20.219 216 1HG2 VAL 27 1HG2 VAL 27 -16.452 26.417 16.585 217 2HG2 VAL 27 2HG2 VAL 27 -16.367 25.323 17.965 218 3HG2 VAL 27 3HG2 VAL 27 -17.443 26.735 18.041 219 H TYR 28 H TYR 28 -13.953 28.108 15.775 220 HA TYR 28 HA TYR 28 -15.845 29.323 14.012 221 1HB TYR 28 1HB TYR 28 -13.496 29.574 12.643 222 2HB TYR 28 2HB TYR 28 -14.333 30.818 13.615 223 HD1 TYR 28 HD1 TYR 28 -12.236 28.045 14.531 224 HD2 TYR 28 HD2 TYR 28 -12.722 32.245 14.531 225 HE1 TYR 28 HE1 TYR 28 -10.217 28.216 16.048 226 HE2 TYR 28 HE2 TYR 28 -10.727 32.487 16.015 227 HH TYR 28 HH TYR 28 -9.044 31.479 17.100 228 H MET 29 H MET 29 -16.501 28.361 12.195 229 HA MET 29 HA MET 29 -15.989 25.552 12.093 230 1HB MET 29 1HB MET 29 -18.178 26.466 11.724 231 2HB MET 29 2HB MET 29 -17.659 27.339 10.261 232 1HG MET 29 1HG MET 29 -18.860 25.281 9.704 233 2HG MET 29 2HG MET 29 -17.166 25.145 9.234 234 1HE MET 29 1HE MET 29 -17.217 21.611 10.117 235 2HE MET 29 2HE MET 29 -18.185 22.658 9.016 236 3HE MET 29 3HE MET 29 -16.445 22.962 9.245 237 H PHE 30 H PHE 30 -14.439 24.367 10.682 238 HA PHE 30 HA PHE 30 -13.202 25.926 8.622 239 1HB PHE 30 1HB PHE 30 -12.269 23.848 10.634 240 2HB PHE 30 2HB PHE 30 -11.622 23.697 9.035 241 HD1 PHE 30 HD1 PHE 30 -12.016 26.686 11.764 242 HD2 PHE 30 HD2 PHE 30 -9.629 25.101 8.383 243 HE1 PHE 30 HE1 PHE 30 -10.499 28.314 11.970 244 HE2 PHE 30 HE2 PHE 30 -8.112 26.840 8.700 245 HZ PHE 30 HZ PHE 30 -8.444 28.466 10.424 246 H LEU 31 H LEU 31 -13.191 25.260 6.358 247 HA LEU 31 HA LEU 31 -14.313 22.646 5.946 248 1HB LEU 31 1HB LEU 31 -14.712 25.275 4.726 249 2HB LEU 31 2HB LEU 31 -14.225 24.081 3.526 250 HG LEU 31 HG LEU 31 -16.633 24.329 3.761 251 1HD1 LEU 31 1HD1 LEU 31 -15.669 22.294 2.943 252 2HD1 LEU 31 2HD1 LEU 31 -15.611 21.610 4.578 253 3HD1 LEU 31 3HD1 LEU 31 -17.185 21.983 3.828 254 1HD2 LEU 31 1HD2 LEU 31 -16.535 23.019 6.527 255 2HD2 LEU 31 2HD2 LEU 31 -16.497 24.753 6.324 256 3HD2 LEU 31 3HD2 LEU 31 -17.888 23.848 5.736 257 H VAL 32 H VAL 32 -12.843 20.993 5.411 258 HA VAL 32 HA VAL 32 -10.247 21.928 4.428 259 HB VAL 32 HB VAL 32 -9.670 20.742 6.126 260 1HG1 VAL 32 1HG1 VAL 32 -10.553 18.659 6.949 261 2HG1 VAL 32 2HG1 VAL 32 -11.836 19.876 6.873 262 3HG1 VAL 32 3HG1 VAL 32 -11.735 18.599 5.621 263 1HG2 VAL 32 1HG2 VAL 32 -8.524 19.853 4.157 264 2HG2 VAL 32 2HG2 VAL 32 -8.777 18.556 5.347 265 3HG2 VAL 32 3HG2 VAL 32 -9.803 18.645 3.925 266 H LYS 33 H LYS 33 -9.616 21.401 2.296 267 HA LYS 33 HA LYS 33 -11.638 19.929 0.710 268 1HB LYS 33 1HB LYS 33 -10.544 22.535 0.436 269 2HB LYS 33 2HB LYS 33 -9.889 21.570 -0.893 270 1HG LYS 33 1HG LYS 33 -12.145 20.926 -1.585 271 2HG LYS 33 2HG LYS 33 -12.842 21.771 -0.181 272 1HD LYS 33 1HD LYS 33 -11.924 23.911 -0.973 273 2HD LYS 33 2HD LYS 33 -11.192 23.102 -2.378 274 1HE LYS 33 1HE LYS 33 -13.436 22.469 -3.201 275 2HE LYS 33 2HE LYS 33 -14.186 23.202 -1.770 276 1HZ LYS 33 1HZ LYS 33 -14.257 24.663 -3.648 277 2HZ LYS 33 2HZ LYS 33 -13.313 25.315 -2.467 278 3HZ LYS 33 3HZ LYS 33 -12.617 24.643 -3.797 279 H TRP 34 H TRP 34 -10.803 17.726 0.417 280 HA TRP 34 HA TRP 34 -7.887 17.551 0.371 281 1HB TRP 34 1HB TRP 34 -9.964 15.407 0.332 282 2HB TRP 34 2HB TRP 34 -8.251 15.164 0.251 283 HD1 TRP 34 HD1 TRP 34 -10.779 16.564 2.789 284 HE1 TRP 34 HE1 TRP 34 -9.863 16.069 5.164 285 HE3 TRP 34 HE3 TRP 34 -6.268 14.545 1.518 286 HZ2 TRP 34 HZ2 TRP 34 -7.486 14.927 6.328 287 HZ3 TRP 34 HZ3 TRP 34 -4.712 13.756 3.257 288 HH2 TRP 34 HH2 TRP 34 -5.328 13.869 5.644 289 H GLN 35 H GLN 35 -6.765 16.542 -1.475 290 HA GLN 35 HA GLN 35 -8.202 17.141 -4.002 291 1HB GLN 35 1HB GLN 35 -5.740 16.812 -5.036 292 2HB GLN 35 2HB GLN 35 -5.828 18.122 -3.885 293 1HG GLN 35 1HG GLN 35 -3.867 16.931 -3.555 294 2HG GLN 35 2HG GLN 35 -4.881 16.722 -2.141 295 1HE2 GLN 35 1HE2 GLN 35 -5.106 14.571 -1.439 296 2HE2 GLN 35 2HE2 GLN 35 -4.821 13.171 -2.487 297 H ASP 36 H ASP 36 -8.096 14.529 -2.088 298 HA ASP 36 HA ASP 36 -8.712 12.774 -4.349 299 1HB ASP 36 1HB ASP 36 -6.871 12.370 -1.891 300 2HB ASP 36 2HB ASP 36 -7.801 10.985 -2.425 301 H LEU 37 H LEU 37 -8.902 12.938 -0.767 302 HA LEU 37 HA LEU 37 -11.331 11.503 -0.569 303 1HB LEU 37 1HB LEU 37 -9.999 13.373 1.281 304 2HB LEU 37 2HB LEU 37 -11.421 12.428 1.655 305 HG LEU 37 HG LEU 37 -10.248 10.605 2.143 306 1HD1 LEU 37 1HD1 LEU 37 -9.855 9.851 -0.246 307 2HD1 LEU 37 2HD1 LEU 37 -8.321 10.762 -0.204 308 3HD1 LEU 37 3HD1 LEU 37 -8.585 9.420 0.891 309 1HD2 LEU 37 1HD2 LEU 37 -8.781 12.327 3.067 310 2HD2 LEU 37 2HD2 LEU 37 -7.869 10.864 2.598 311 3HD2 LEU 37 3HD2 LEU 37 -7.830 12.307 1.550 312 H SER 38 H SER 38 -10.819 14.685 -1.736 313 HA SER 38 HA SER 38 -12.259 16.442 -2.263 314 1HB SER 38 1HB SER 38 -13.659 14.299 -3.113 315 2HB SER 38 2HB SER 38 -14.649 14.548 -1.695 316 HG SER 38 HG SER 38 -14.103 16.421 -3.757 317 H GLU 39 H GLU 39 -14.871 16.833 -1.162 318 HA GLU 39 HA GLU 39 -14.085 18.568 0.762 319 1HB GLU 39 1HB GLU 39 -16.930 18.505 1.157 320 2HB GLU 39 2HB GLU 39 -16.277 19.188 -0.312 321 1HG GLU 39 1HG GLU 39 -18.109 17.725 -0.716 322 2HG GLU 39 2HG GLU 39 -16.691 17.120 -1.535 323 H LYS 40 H LYS 40 -13.996 18.690 3.056 324 HA LYS 40 HA LYS 40 -15.544 16.781 4.573 325 1HB LYS 40 1HB LYS 40 -12.534 16.433 4.361 326 2HB LYS 40 2HB LYS 40 -13.317 16.256 5.931 327 1HG LYS 40 1HG LYS 40 -13.625 14.125 5.383 328 2HG LYS 40 2HG LYS 40 -15.022 14.714 4.507 329 1HD LYS 40 1HD LYS 40 -13.215 14.900 2.493 330 2HD LYS 40 2HD LYS 40 -12.351 13.760 3.520 331 1HE LYS 40 1HE LYS 40 -13.603 12.212 2.336 332 2HE LYS 40 2HE LYS 40 -14.785 12.559 3.593 333 1HZ LYS 40 1HZ LYS 40 -15.645 14.292 1.970 334 2HZ LYS 40 2HZ LYS 40 -14.655 13.623 0.859 335 3HZ LYS 40 3HZ LYS 40 -15.863 12.722 1.512 336 H VAL 41 H VAL 41 -15.700 17.433 6.892 337 HA VAL 41 HA VAL 41 -15.007 20.257 7.110 338 HB VAL 41 HB VAL 41 -17.041 20.723 7.898 339 1HG1 VAL 41 1HG1 VAL 41 -17.051 20.054 5.482 340 2HG1 VAL 41 2HG1 VAL 41 -17.714 18.482 5.955 341 3HG1 VAL 41 3HG1 VAL 41 -18.633 19.964 6.265 342 1HG2 VAL 41 1HG2 VAL 41 -17.506 17.791 8.498 343 2HG2 VAL 41 2HG2 VAL 41 -17.294 19.110 9.674 344 3HG2 VAL 41 3HG2 VAL 41 -18.739 19.071 8.659 345 H VAL 42 H VAL 42 -14.443 21.163 9.178 346 HA VAL 42 HA VAL 42 -14.163 19.352 11.415 347 HB VAL 42 HB VAL 42 -11.787 19.724 11.690 348 1HG1 VAL 42 1HG1 VAL 42 -12.138 18.586 8.925 349 2HG1 VAL 42 2HG1 VAL 42 -10.790 18.329 10.041 350 3HG1 VAL 42 3HG1 VAL 42 -12.391 17.713 10.458 351 1HG2 VAL 42 1HG2 VAL 42 -10.347 20.690 9.917 352 2HG2 VAL 42 2HG2 VAL 42 -11.823 21.298 9.128 353 3HG2 VAL 42 3HG2 VAL 42 -11.374 21.837 10.772 354 H TYR 43 H TYR 43 -13.362 20.651 13.396 355 HA TYR 43 HA TYR 43 -14.527 23.343 13.295 356 1HB TYR 43 1HB TYR 43 -14.169 21.468 15.623 357 2HB TYR 43 2HB TYR 43 -15.104 22.926 15.540 358 HD1 TYR 43 HD1 TYR 43 -14.994 19.396 13.698 359 HD2 TYR 43 HD2 TYR 43 -17.664 22.672 14.863 360 HE1 TYR 43 HE1 TYR 43 -16.811 18.240 12.882 361 HE2 TYR 43 HE2 TYR 43 -19.455 21.433 14.019 362 HH TYR 43 HH TYR 43 -20.190 19.490 13.014 363 H ARG 44 H ARG 44 -13.448 25.025 14.710 364 HA ARG 44 HA ARG 44 -10.846 24.118 15.804 365 1HB ARG 44 1HB ARG 44 -10.586 25.111 13.400 366 2HB ARG 44 2HB ARG 44 -10.935 26.630 14.127 367 1HG ARG 44 1HG ARG 44 -8.721 26.718 14.233 368 2HG ARG 44 2HG ARG 44 -9.066 26.073 15.841 369 1HD ARG 44 1HD ARG 44 -7.508 24.550 15.287 370 2HD ARG 44 2HD ARG 44 -8.808 23.751 14.408 371 HE ARG 44 HE ARG 44 -6.517 25.355 13.398 372 1HH1 ARG 44 1HH1 ARG 44 -9.549 23.790 12.430 373 2HH1 ARG 44 2HH1 ARG 44 -9.210 23.919 10.731 374 1HH2 ARG 44 1HH2 ARG 44 -6.030 25.413 11.188 375 2HH2 ARG 44 2HH2 ARG 44 -7.189 24.851 10.020 376 H ARG 45 H ARG 45 -10.360 25.234 17.729 377 HA ARG 45 HA ARG 45 -11.930 27.571 18.510 378 1HB ARG 45 1HB ARG 45 -11.767 26.691 20.881 379 2HB ARG 45 2HB ARG 45 -12.870 25.823 19.805 380 1HG ARG 45 1HG ARG 45 -11.328 24.029 19.486 381 2HG ARG 45 2HG ARG 45 -10.088 24.864 20.451 382 1HD ARG 45 1HD ARG 45 -11.375 24.492 22.503 383 2HD ARG 45 2HD ARG 45 -12.813 24.116 21.564 384 HE ARG 45 HE ARG 45 -12.172 21.988 21.182 385 1HH1 ARG 45 1HH1 ARG 45 -9.356 23.475 22.761 386 2HH1 ARG 45 2HH1 ARG 45 -8.299 22.151 22.396 387 1HH2 ARG 45 1HH2 ARG 45 -10.937 20.246 20.885 388 2HH2 ARG 45 2HH2 ARG 45 -9.206 20.333 21.163 389 H PHE 46 H PHE 46 -10.638 28.890 20.111 390 HA PHE 46 HA PHE 46 -8.180 29.563 19.040 391 1HB PHE 46 1HB PHE 46 -8.125 30.206 21.850 392 2HB PHE 46 2HB PHE 46 -8.297 31.273 20.468 393 HD1 PHE 46 HD1 PHE 46 -9.726 30.301 23.525 394 HD2 PHE 46 HD2 PHE 46 -10.802 31.310 19.475 395 HE1 PHE 46 HE1 PHE 46 -11.992 30.914 24.280 396 HE2 PHE 46 HE2 PHE 46 -13.091 31.931 20.250 397 HZ PHE 46 HZ PHE 46 -13.681 31.731 22.647 398 H THR 47 H THR 47 -8.759 27.618 21.906 399 HA THR 47 HA THR 47 -6.036 27.048 22.482 400 HB THR 47 HB THR 47 -7.437 26.846 24.271 401 HG1 THR 47 HG1 THR 47 -6.811 24.214 23.404 402 1HG2 THR 47 1HG2 THR 47 -9.614 26.732 23.517 403 2HG2 THR 47 2HG2 THR 47 -9.282 25.343 22.475 404 3HG2 THR 47 3HG2 THR 47 -9.390 25.137 24.247 405 H GLU 48 H GLU 48 -8.039 25.668 19.937 406 HA GLU 48 HA GLU 48 -6.437 23.235 19.719 407 1HB GLU 48 1HB GLU 48 -8.398 24.638 17.861 408 2HB GLU 48 2HB GLU 48 -7.430 23.338 17.388 409 1HG GLU 48 1HG GLU 48 -9.192 23.033 19.770 410 2HG GLU 48 2HG GLU 48 -9.825 22.756 18.137 411 H ILE 49 H ILE 49 -6.758 26.478 18.178 412 HA ILE 49 HA ILE 49 -4.626 26.041 16.277 413 HB ILE 49 HB ILE 49 -5.810 28.584 17.481 414 1HG1 ILE 49 1HG1 ILE 49 -5.759 28.158 14.575 415 2HG1 ILE 49 2HG1 ILE 49 -6.585 26.844 15.428 416 1HG2 ILE 49 1HG2 ILE 49 -3.342 28.335 15.786 417 2HG2 ILE 49 2HG2 ILE 49 -4.409 29.762 15.699 418 3HG2 ILE 49 3HG2 ILE 49 -3.623 29.322 17.217 419 1HD1 ILE 49 1HD1 ILE 49 -7.938 28.416 16.699 420 2HD1 ILE 49 2HD1 ILE 49 -7.102 29.778 15.917 421 3HD1 ILE 49 3HD1 ILE 49 -8.163 28.707 14.977 422 H TYR 50 H TYR 50 -4.648 27.245 19.629 423 HA TYR 50 HA TYR 50 -1.805 27.633 19.747 424 1HB TYR 50 1HB TYR 50 -3.640 26.956 22.082 425 2HB TYR 50 2HB TYR 50 -2.153 27.834 22.143 426 HD1 TYR 50 HD1 TYR 50 -5.036 28.939 23.173 427 HD2 TYR 50 HD2 TYR 50 -2.948 29.580 19.393 428 HE1 TYR 50 HE1 TYR 50 -6.220 31.004 22.811 429 HE2 TYR 50 HE2 TYR 50 -4.157 31.610 19.093 430 HH TYR 50 HH TYR 50 -5.494 33.242 20.165 431 H GLU 51 H GLU 51 -3.828 24.883 20.745 432 HA GLU 51 HA GLU 51 -1.692 23.318 21.772 433 1HB GLU 51 1HB GLU 51 -4.380 22.581 20.533 434 2HB GLU 51 2HB GLU 51 -3.262 21.333 21.074 435 1HG GLU 51 1HG GLU 51 -3.392 21.962 23.334 436 2HG GLU 51 2HG GLU 51 -4.162 23.500 23.003 437 H PHE 52 H PHE 52 -3.039 23.463 18.509 438 HA PHE 52 HA PHE 52 -1.354 21.564 17.230 439 1HB PHE 52 1HB PHE 52 -3.186 22.560 16.019 440 2HB PHE 52 2HB PHE 52 -2.588 24.159 16.192 441 HD1 PHE 52 HD1 PHE 52 -2.117 20.953 14.419 442 HD2 PHE 52 HD2 PHE 52 -0.379 24.961 14.533 443 HE1 PHE 52 HE1 PHE 52 -0.987 20.546 12.351 444 HE2 PHE 52 HE2 PHE 52 0.711 24.452 12.469 445 HZ PHE 52 HZ PHE 52 0.443 22.319 11.325 446 H HIS 53 H HIS 53 -1.082 25.080 17.255 447 HA HIS 53 HA HIS 53 1.371 25.160 16.024 448 1HB HIS 53 1HB HIS 53 -0.374 26.939 16.339 449 2HB HIS 53 2HB HIS 53 0.321 27.290 17.943 450 HD1 HIS 53 HD1 HIS 53 1.460 26.492 14.470 451 HD2 HIS 53 HD2 HIS 53 2.256 29.457 17.306 452 HE1 HIS 53 HE1 HIS 53 3.035 27.927 13.407 453 H LYS 54 H LYS 54 0.563 24.948 19.366 454 HA LYS 54 HA LYS 54 3.243 25.297 20.413 455 1HB LYS 54 1HB LYS 54 0.727 24.037 21.533 456 2HB LYS 54 2HB LYS 54 2.256 23.952 22.401 457 1HG LYS 54 1HG LYS 54 2.472 26.320 22.586 458 2HG LYS 54 2HG LYS 54 1.115 26.617 21.490 459 1HD LYS 54 1HD LYS 54 -0.429 25.515 23.102 460 2HD LYS 54 2HD LYS 54 0.933 25.230 24.206 461 1HE LYS 54 1HE LYS 54 1.300 27.668 24.413 462 2HE LYS 54 2HE LYS 54 -0.002 27.982 23.253 463 1HZ LYS 54 1HZ LYS 54 -0.318 26.707 25.884 464 2HZ LYS 54 2HZ LYS 54 -0.752 28.244 25.487 465 3HZ LYS 54 3HZ LYS 54 -1.532 26.968 24.800 466 H THR 55 H THR 55 1.364 22.540 19.269 467 HA THR 55 HA THR 55 3.412 20.590 20.046 468 HB THR 55 HB THR 55 1.129 20.354 18.071 469 HG1 THR 55 HG1 THR 55 0.437 20.728 20.196 470 1HG2 THR 55 1HG2 THR 55 2.698 18.659 17.578 471 2HG2 THR 55 2HG2 THR 55 2.868 18.219 19.295 472 3HG2 THR 55 3HG2 THR 55 1.335 17.928 18.425 473 H LEU 56 H LEU 56 2.753 22.411 17.108 474 HA LEU 56 HA LEU 56 4.773 21.103 15.633 475 1HB LEU 56 1HB LEU 56 3.008 22.927 14.815 476 2HB LEU 56 2HB LEU 56 4.105 24.110 15.429 477 HG LEU 56 HG LEU 56 4.114 23.946 13.097 478 1HD1 LEU 56 1HD1 LEU 56 6.807 23.214 14.251 479 2HD1 LEU 56 2HD1 LEU 56 6.475 24.082 12.748 480 3HD1 LEU 56 3HD1 LEU 56 6.067 24.822 14.312 481 1HD2 LEU 56 1HD2 LEU 56 4.586 21.071 13.375 482 2HD2 LEU 56 2HD2 LEU 56 4.342 22.008 11.894 483 3HD2 LEU 56 3HD2 LEU 56 5.959 21.800 12.534 484 H LYS 57 H LYS 57 4.896 24.027 17.660 485 HA LYS 57 HA LYS 57 7.744 24.222 17.387 486 1HB LYS 57 1HB LYS 57 5.839 25.109 19.634 487 2HB LYS 57 2HB LYS 57 7.500 25.650 19.515 488 1HG LYS 57 1HG LYS 57 5.171 26.901 18.498 489 2HG LYS 57 2HG LYS 57 6.840 27.435 18.442 490 1HD LYS 57 1HD LYS 57 6.863 25.847 16.231 491 2HD LYS 57 2HD LYS 57 5.139 26.216 16.286 492 1HE LYS 57 1HE LYS 57 7.484 28.176 16.197 493 2HE LYS 57 2HE LYS 57 6.380 27.807 14.870 494 1HZ LYS 57 1HZ LYS 57 5.881 29.870 16.009 495 2HZ LYS 57 2HZ LYS 57 4.626 28.824 16.079 496 3HZ LYS 57 3HZ LYS 57 5.578 29.057 17.411 497 H GLU 58 H GLU 58 5.912 22.147 19.452 498 HA GLU 58 HA GLU 58 8.132 21.752 21.249 499 1HB GLU 58 1HB GLU 58 5.465 20.225 20.851 500 2HB GLU 58 2HB GLU 58 6.626 19.669 21.980 501 1HG GLU 58 1HG GLU 58 5.924 22.685 22.221 502 2HG GLU 58 2HG GLU 58 4.745 21.553 22.818 503 H MET 59 H MET 59 6.498 19.732 18.709 504 HA MET 59 HA MET 59 8.485 17.712 18.824 505 1HB MET 59 1HB MET 59 6.787 18.544 16.508 506 2HB MET 59 2HB MET 59 7.518 16.979 16.701 507 1HG MET 59 1HG MET 59 5.975 16.460 18.594 508 2HG MET 59 2HG MET 59 5.203 18.022 18.400 509 1HE MET 59 1HE MET 59 4.125 18.802 15.961 510 2HE MET 59 2HE MET 59 5.347 17.974 14.999 511 3HE MET 59 3HE MET 59 3.646 17.595 14.746 512 H PHE 60 H PHE 60 8.015 20.498 16.575 513 HA PHE 60 HA PHE 60 10.631 20.031 15.380 514 1HB PHE 60 1HB PHE 60 8.455 21.947 14.678 515 2HB PHE 60 2HB PHE 60 9.963 21.691 13.924 516 HD1 PHE 60 HD1 PHE 60 6.406 20.178 14.227 517 HD2 PHE 60 HD2 PHE 60 10.389 19.303 12.640 518 HE1 PHE 60 HE1 PHE 60 5.551 18.431 12.862 519 HE2 PHE 60 HE2 PHE 60 9.446 17.565 11.333 520 HZ PHE 60 HZ PHE 60 7.013 17.087 11.400 521 HA PRO 61 HA PRO 61 11.151 23.717 18.365 522 1HB PRO 61 1HB PRO 61 13.665 23.477 19.285 523 2HB PRO 61 2HB PRO 61 12.332 22.442 19.886 524 1HG PRO 61 1HG PRO 61 14.400 21.766 17.792 525 2HG PRO 61 2HG PRO 61 13.882 20.773 19.184 526 1HD PRO 61 1HD PRO 61 12.960 20.528 16.643 527 2HD PRO 61 2HD PRO 61 11.936 20.098 18.088 528 H ILE 62 H ILE 62 12.928 22.643 15.615 529 HA ILE 62 HA ILE 62 14.503 24.971 15.076 530 HB ILE 62 HB ILE 62 13.331 22.934 13.199 531 1HG1 ILE 62 1HG1 ILE 62 14.603 21.645 14.822 532 2HG1 ILE 62 2HG1 ILE 62 15.493 21.698 13.305 533 1HG2 ILE 62 1HG2 ILE 62 15.656 24.686 12.742 534 2HG2 ILE 62 2HG2 ILE 62 15.043 23.399 11.659 535 3HG2 ILE 62 3HG2 ILE 62 14.031 24.802 12.004 536 1HD1 ILE 62 1HD1 ILE 62 16.955 23.502 14.239 537 2HD1 ILE 62 2HD1 ILE 62 16.067 23.394 15.779 538 3HD1 ILE 62 3HD1 ILE 62 17.003 22.012 15.195 539 H GLU 63 H GLU 63 11.273 23.767 14.113 540 HA GLU 63 HA GLU 63 10.632 26.007 12.456 541 1HB GLU 63 1HB GLU 63 9.002 23.933 13.899 542 2HB GLU 63 2HB GLU 63 8.269 25.276 13.015 543 1HG GLU 63 1HG GLU 63 8.350 23.233 11.645 544 2HG GLU 63 2HG GLU 63 9.169 24.615 10.940 545 H ALA 64 H ALA 64 11.225 25.853 15.786 546 HA ALA 64 HA ALA 64 9.874 28.395 16.228 547 1HB ALA 64 1HB ALA 64 8.713 26.402 17.366 548 2HB ALA 64 2HB ALA 64 10.198 26.141 18.281 549 3HB ALA 64 3HB ALA 64 9.276 27.647 18.510 550 H GLY 65 H GLY 65 12.552 27.754 15.346 551 1HA GLY 65 1HA GLY 65 13.930 29.368 17.316 552 2HA GLY 65 2HA GLY 65 14.565 27.697 17.088 553 H ALA 66 H ALA 66 14.478 27.243 14.443 554 HA ALA 66 HA ALA 66 16.321 29.280 13.475 555 1HB ALA 66 1HB ALA 66 16.878 27.742 11.694 556 2HB ALA 66 2HB ALA 66 16.809 26.789 13.192 557 3HB ALA 66 3HB ALA 66 15.443 26.766 12.035 558 H ILE 67 H ILE 67 13.077 28.404 13.290 559 HA ILE 67 HA ILE 67 12.665 30.212 10.922 560 HB ILE 67 HB ILE 67 10.758 28.144 12.004 561 1HG1 ILE 67 1HG1 ILE 67 13.047 27.972 9.964 562 2HG1 ILE 67 2HG1 ILE 67 12.744 26.901 11.337 563 1HG2 ILE 67 1HG2 ILE 67 9.768 28.281 9.711 564 2HG2 ILE 67 2HG2 ILE 67 9.690 29.809 10.534 565 3HG2 ILE 67 3HG2 ILE 67 10.944 29.555 9.302 566 1HD1 ILE 67 1HD1 ILE 67 11.303 26.942 8.687 567 2HD1 ILE 67 2HD1 ILE 67 12.285 25.659 9.405 568 3HD1 ILE 67 3HD1 ILE 67 10.715 26.058 10.123 569 H ASN 68 H ASN 68 12.812 30.491 14.070 570 HA ASN 68 HA ASN 68 10.378 32.132 14.320 571 1HB ASN 68 1HB ASN 68 11.946 30.680 16.217 572 2HB ASN 68 2HB ASN 68 11.936 32.373 16.699 573 1HD2 ASN 68 1HD2 ASN 68 9.445 30.343 15.024 574 2HD2 ASN 68 2HD2 ASN 68 8.187 30.670 16.199 575 HA PRO 69 HA PRO 69 13.029 35.828 14.731 576 1HB PRO 69 1HB PRO 69 15.741 35.905 14.236 577 2HB PRO 69 2HB PRO 69 15.077 35.369 15.807 578 1HG PRO 69 1HG PRO 69 16.030 33.645 13.518 579 2HG PRO 69 2HG PRO 69 16.321 33.433 15.260 580 1HD PRO 69 1HD PRO 69 14.324 32.112 13.828 581 2HD PRO 69 2HD PRO 69 14.199 32.461 15.589 582 H GLU 70 H GLU 70 14.608 34.077 12.145 583 HA GLU 70 HA GLU 70 14.399 36.290 10.328 584 1HB GLU 70 1HB GLU 70 15.129 33.299 10.138 585 2HB GLU 70 2HB GLU 70 14.613 34.010 8.650 586 1HG GLU 70 1HG GLU 70 16.224 35.937 8.869 587 2HG GLU 70 2HG GLU 70 16.668 35.455 10.483 588 H ASN 71 H ASN 71 12.250 33.653 11.161 589 HA ASN 71 HA ASN 71 10.261 34.870 9.301 590 1HB ASN 71 1HB ASN 71 11.154 32.120 9.380 591 2HB ASN 71 2HB ASN 71 9.616 32.127 10.209 592 1HD2 ASN 71 1HD2 ASN 71 8.132 31.353 8.846 593 2HD2 ASN 71 2HD2 ASN 71 7.923 31.904 7.191 594 H ARG 72 H ARG 72 10.839 36.107 11.633 595 HA ARG 72 HA ARG 72 8.829 35.426 13.649 596 1HB ARG 72 1HB ARG 72 11.013 36.738 14.038 597 2HB ARG 72 2HB ARG 72 10.210 38.114 13.285 598 1HG ARG 72 1HG ARG 72 8.494 38.037 15.099 599 2HG ARG 72 2HG ARG 72 9.238 36.558 15.728 600 1HD ARG 72 1HD ARG 72 9.935 38.455 17.055 601 2HD ARG 72 2HD ARG 72 11.332 37.786 16.225 602 HE ARG 72 HE ARG 72 9.960 40.374 15.784 603 1HH1 ARG 72 1HH1 ARG 72 12.455 38.175 14.502 604 2HH1 ARG 72 2HH1 ARG 72 13.299 39.433 13.657 605 1HH2 ARG 72 1HH2 ARG 72 11.054 41.994 14.624 606 2HH2 ARG 72 2HH2 ARG 72 12.483 41.613 13.705 607 H ILE 73 H ILE 73 7.453 35.252 11.482 608 HA ILE 73 HA ILE 73 5.471 37.367 11.512 609 HB ILE 73 HB ILE 73 5.395 37.076 8.922 610 1HG1 ILE 73 1HG1 ILE 73 7.473 35.432 9.017 611 2HG1 ILE 73 2HG1 ILE 73 7.166 36.530 7.681 612 1HG2 ILE 73 1HG2 ILE 73 5.653 39.182 10.051 613 2HG2 ILE 73 2HG2 ILE 73 7.400 38.934 10.211 614 3HG2 ILE 73 3HG2 ILE 73 6.663 39.107 8.603 615 1HD1 ILE 73 1HD1 ILE 73 9.531 36.556 8.188 616 2HD1 ILE 73 2HD1 ILE 73 8.868 38.137 8.514 617 3HD1 ILE 73 3HD1 ILE 73 9.238 37.053 9.858 618 H ILE 74 H ILE 74 5.918 34.654 12.577 619 HA ILE 74 HA ILE 74 3.881 32.992 11.207 620 HB ILE 74 HB ILE 74 5.557 32.516 13.717 621 1HG1 ILE 74 1HG1 ILE 74 5.964 30.842 11.270 622 2HG1 ILE 74 2HG1 ILE 74 6.662 32.447 11.252 623 1HG2 ILE 74 1HG2 ILE 74 3.407 31.260 13.735 624 2HG2 ILE 74 2HG2 ILE 74 3.777 30.598 12.130 625 3HG2 ILE 74 3HG2 ILE 74 4.773 30.159 13.515 626 1HD1 ILE 74 1HD1 ILE 74 8.226 30.661 12.085 627 2HD1 ILE 74 2HD1 ILE 74 8.024 31.969 13.249 628 3HD1 ILE 74 3HD1 ILE 74 7.213 30.415 13.496 629 HA PRO 75 HA PRO 75 1.093 35.111 13.870 630 1HB PRO 75 1HB PRO 75 -1.243 33.734 13.823 631 2HB PRO 75 2HB PRO 75 -0.515 34.508 12.391 632 1HG PRO 75 1HG PRO 75 -0.191 31.612 13.234 633 2HG PRO 75 2HG PRO 75 -0.710 32.277 11.653 634 1HD PRO 75 1HD PRO 75 1.852 31.581 12.076 635 2HD PRO 75 2HD PRO 75 1.417 33.025 11.117 636 H HIS 76 H HIS 76 2.844 34.104 15.532 637 HA HIS 76 HA HIS 76 1.752 32.251 17.554 638 1HB HIS 76 1HB HIS 76 3.998 32.719 18.649 639 2HB HIS 76 2HB HIS 76 3.985 31.882 17.097 640 HD1 HIS 76 HD1 HIS 76 3.907 35.668 17.674 641 HD2 HIS 76 HD2 HIS 76 6.294 32.709 15.929 642 HE1 HIS 76 HE1 HIS 76 5.823 36.850 16.465 643 H LEU 77 H LEU 77 -0.110 33.904 17.654 644 HA LEU 77 HA LEU 77 0.449 36.211 19.429 645 1HB LEU 77 1HB LEU 77 -1.722 35.407 17.519 646 2HB LEU 77 2HB LEU 77 -2.139 36.483 18.851 647 HG LEU 77 HG LEU 77 -0.397 38.086 18.141 648 1HD1 LEU 77 1HD1 LEU 77 1.222 36.673 16.978 649 2HD1 LEU 77 2HD1 LEU 77 -0.015 36.164 15.805 650 3HD1 LEU 77 3HD1 LEU 77 0.571 37.837 15.826 651 1HD2 LEU 77 1HD2 LEU 77 -1.585 38.898 16.152 652 2HD2 LEU 77 2HD2 LEU 77 -2.329 37.305 15.919 653 3HD2 LEU 77 3HD2 LEU 77 -2.739 38.283 17.344 654 HA PRO 78 HA PRO 78 -1.140 34.192 22.995 655 1HB PRO 78 1HB PRO 78 -2.212 36.241 24.474 656 2HB PRO 78 2HB PRO 78 -0.478 36.135 24.074 657 1HG PRO 78 1HG PRO 78 -2.612 37.689 22.582 658 2HG PRO 78 2HG PRO 78 -1.066 38.312 23.231 659 1HD PRO 78 1HD PRO 78 -1.290 37.548 20.650 660 2HD PRO 78 2HD PRO 78 0.185 37.154 21.579 661 H ALA 79 H ALA 79 -3.167 34.272 24.540 662 HA ALA 79 HA ALA 79 -5.444 33.302 23.026 663 1HB ALA 79 1HB ALA 79 -6.189 32.556 25.292 664 2HB ALA 79 2HB ALA 79 -4.532 32.056 24.917 665 3HB ALA 79 3HB ALA 79 -4.819 33.437 25.997 666 HA PRO 80 HA PRO 80 -7.866 36.989 23.500 667 1HB PRO 80 1HB PRO 80 -10.415 36.112 23.223 668 2HB PRO 80 2HB PRO 80 -9.191 35.821 21.958 669 1HG PRO 80 1HG PRO 80 -10.015 33.897 24.148 670 2HG PRO 80 2HG PRO 80 -10.021 33.616 22.382 671 1HD PRO 80 1HD PRO 80 -7.905 32.901 23.932 672 2HD PRO 80 2HD PRO 80 -7.679 33.555 22.287 673 H LYS 81 H LYS 81 -6.926 36.993 25.937 674 HA LYS 81 HA LYS 81 -9.200 37.595 27.648 675 1HB LYS 81 1HB LYS 81 -8.604 35.879 29.367 676 2HB LYS 81 2HB LYS 81 -9.178 35.195 27.862 677 1HG LYS 81 1HG LYS 81 -7.380 33.816 28.578 678 2HG LYS 81 2HG LYS 81 -6.895 34.661 27.120 679 1HD LYS 81 1HD LYS 81 -5.033 34.554 28.626 680 2HD LYS 81 2HD LYS 81 -5.525 36.229 28.479 681 1HE LYS 81 1HE LYS 81 -6.926 35.700 30.709 682 2HE LYS 81 2HE LYS 81 -5.867 34.294 30.804 683 1HZ LYS 81 1HZ LYS 81 -5.030 36.156 32.022 684 2HZ LYS 81 2HZ LYS 81 -4.009 35.853 30.763 685 3HZ LYS 81 3HZ LYS 81 -5.068 37.120 30.691 686 H TRP 82 H TRP 82 -6.631 38.868 26.708 687 HA TRP 82 HA TRP 82 -5.370 39.553 29.292 688 1HB TRP 82 1HB TRP 82 -3.991 41.007 27.659 689 2HB TRP 82 2HB TRP 82 -3.746 39.252 27.770 690 HD1 TRP 82 HD1 TRP 82 -4.516 37.734 25.857 691 HE1 TRP 82 HE1 TRP 82 -4.780 38.092 23.323 692 HE3 TRP 82 HE3 TRP 82 -4.619 42.835 25.810 693 HZ2 TRP 82 HZ2 TRP 82 -4.987 40.356 21.511 694 HZ3 TRP 82 HZ3 TRP 82 -4.840 44.068 23.673 695 HH2 TRP 82 HH2 TRP 82 -5.029 42.838 21.525 696 H PHE 83 H PHE 83 -7.441 40.844 26.712 697 HA PHE 83 HA PHE 83 -8.281 43.015 28.543 698 1HB PHE 83 1HB PHE 83 -6.497 43.685 26.783 699 2HB PHE 83 2HB PHE 83 -7.797 43.586 25.621 700 HD1 PHE 83 HD1 PHE 83 -9.840 45.222 26.007 701 HD2 PHE 83 HD2 PHE 83 -6.151 45.479 28.241 702 HE1 PHE 83 HE1 PHE 83 -10.403 47.526 26.683 703 HE2 PHE 83 HE2 PHE 83 -6.730 47.789 28.909 704 HZ PHE 83 HZ PHE 83 -8.855 48.820 28.132 705 H ASP 84 H ASP 84 -9.527 40.768 28.482 706 HA ASP 84 HA ASP 84 -11.329 39.723 26.964 707 1HB ASP 84 1HB ASP 84 -11.105 39.367 29.505 708 2HB ASP 84 2HB ASP 84 -12.034 40.824 29.776 709 H GLY 85 H GLY 85 -12.171 41.036 25.259 710 1HA GLY 85 1HA GLY 85 -14.708 42.086 25.431 711 2HA GLY 85 2HA GLY 85 -13.616 43.470 25.648 712 H GLN 86 H GLN 86 -13.657 44.495 23.505 713 HA GLN 86 HA GLN 86 -13.938 42.986 21.098 714 1HB GLN 86 1HB GLN 86 -12.840 45.797 21.582 715 2HB GLN 86 2HB GLN 86 -13.246 45.117 19.997 716 1HG GLN 86 1HG GLN 86 -15.598 44.781 20.739 717 2HG GLN 86 2HG GLN 86 -15.224 45.579 22.276 718 1HE2 GLN 86 1HE2 GLN 86 -14.212 47.858 22.052 719 2HE2 GLN 86 2HE2 GLN 86 -14.874 48.861 20.777 720 H ARG 87 H ARG 87 -11.216 43.489 23.095 721 HA ARG 87 HA ARG 87 -9.335 42.772 20.939 722 1HB ARG 87 1HB ARG 87 -9.188 43.663 23.894 723 2HB ARG 87 2HB ARG 87 -7.756 42.920 23.209 724 1HG ARG 87 1HG ARG 87 -7.507 44.638 21.553 725 2HG ARG 87 2HG ARG 87 -9.121 45.305 21.885 726 1HD ARG 87 1HD ARG 87 -8.494 45.989 24.093 727 2HD ARG 87 2HD ARG 87 -6.910 45.183 23.977 728 HE ARG 87 HE ARG 87 -7.059 47.040 21.876 729 1HH1 ARG 87 1HH1 ARG 87 -7.093 47.065 25.429 730 2HH1 ARG 87 2HH1 ARG 87 -6.315 48.611 25.568 731 1HH2 ARG 87 1HH2 ARG 87 -6.038 49.110 22.065 732 2HH2 ARG 87 2HH2 ARG 87 -5.715 49.792 23.633 733 H ALA 88 H ALA 88 -11.398 41.137 22.930 734 HA ALA 88 HA ALA 88 -9.729 38.714 23.124 735 1HB ALA 88 1HB ALA 88 -11.717 37.696 24.163 736 2HB ALA 88 2HB ALA 88 -11.139 39.136 24.998 737 3HB ALA 88 3HB ALA 88 -12.601 39.212 23.983 738 H ALA 89 H ALA 89 -12.381 40.245 21.504 739 HA ALA 89 HA ALA 89 -13.150 38.087 19.757 740 1HB ALA 89 1HB ALA 89 -14.664 39.959 20.223 741 2HB ALA 89 2HB ALA 89 -13.552 41.092 19.430 742 3HB ALA 89 3HB ALA 89 -14.346 39.819 18.483 743 H GLU 90 H GLU 90 -11.443 41.101 19.043 744 HA GLU 90 HA GLU 90 -10.341 40.294 16.539 745 1HB GLU 90 1HB GLU 90 -10.697 42.639 17.356 746 2HB GLU 90 2HB GLU 90 -9.405 42.408 18.540 747 1HG GLU 90 1HG GLU 90 -7.753 42.192 16.713 748 2HG GLU 90 2HG GLU 90 -9.055 42.353 15.515 749 H ASN 91 H ASN 91 -9.231 39.304 19.656 750 HA ASN 91 HA ASN 91 -6.450 38.928 18.752 751 1HB ASN 91 1HB ASN 91 -6.806 38.984 21.267 752 2HB ASN 91 2HB ASN 91 -8.097 37.807 21.163 753 1HD2 ASN 91 1HD2 ASN 91 -4.550 38.254 20.797 754 2HD2 ASN 91 2HD2 ASN 91 -4.192 36.546 21.045 755 H ARG 92 H ARG 92 -9.118 36.610 19.588 756 HA ARG 92 HA ARG 92 -7.819 34.601 18.035 757 1HB ARG 92 1HB ARG 92 -9.662 33.178 18.517 758 2HB ARG 92 2HB ARG 92 -9.258 34.106 19.953 759 1HG ARG 92 1HG ARG 92 -11.497 34.358 20.095 760 2HG ARG 92 2HG ARG 92 -11.219 35.714 19.004 761 1HD ARG 92 1HD ARG 92 -11.714 34.154 17.071 762 2HD ARG 92 2HD ARG 92 -12.022 32.867 18.242 763 HE ARG 92 HE ARG 92 -13.561 35.399 18.419 764 1HH1 ARG 92 1HH1 ARG 92 -13.676 31.923 17.606 765 2HH1 ARG 92 2HH1 ARG 92 -15.380 31.952 17.265 766 1HH2 ARG 92 1HH2 ARG 92 -15.704 35.443 17.772 767 2HH2 ARG 92 2HH2 ARG 92 -16.577 33.962 17.459 768 H GLN 93 H GLN 93 -10.084 37.092 17.197 769 HA GLN 93 HA GLN 93 -10.692 35.822 14.596 770 1HB GLN 93 1HB GLN 93 -11.535 38.506 15.687 771 2HB GLN 93 2HB GLN 93 -12.057 37.808 14.148 772 1HG GLN 93 1HG GLN 93 -13.145 35.945 15.184 773 2HG GLN 93 2HG GLN 93 -12.413 36.307 16.747 774 1HE2 GLN 93 1HE2 GLN 93 -13.713 39.044 14.975 775 2HE2 GLN 93 2HE2 GLN 93 -15.129 39.228 15.989 776 H GLY 94 H GLY 94 -7.990 37.249 15.630 777 1HA GLY 94 1HA GLY 94 -7.294 38.411 12.936 778 2HA GLY 94 2HA GLY 94 -6.579 38.932 14.466 779 H THR 95 H THR 95 -6.185 36.573 15.799 780 HA THR 95 HA THR 95 -3.828 35.477 14.614 781 HB THR 95 HB THR 95 -5.659 34.467 16.892 782 HG1 THR 95 HG1 THR 95 -4.946 36.469 17.393 783 1HG2 THR 95 1HG2 THR 95 -2.767 33.706 16.248 784 2HG2 THR 95 2HG2 THR 95 -3.532 33.415 17.817 785 3HG2 THR 95 3HG2 THR 95 -4.169 32.628 16.370 786 H LEU 96 H LEU 96 -7.109 34.109 14.956 787 HA LEU 96 HA LEU 96 -6.227 31.743 13.548 788 1HB LEU 96 1HB LEU 96 -7.984 31.521 15.040 789 2HB LEU 96 2HB LEU 96 -8.953 32.736 14.237 790 HG LEU 96 HG LEU 96 -9.657 30.413 13.759 791 1HD1 LEU 96 1HD1 LEU 96 -9.664 32.637 12.241 792 2HD1 LEU 96 2HD1 LEU 96 -9.003 31.448 11.111 793 3HD1 LEU 96 3HD1 LEU 96 -10.549 31.133 11.993 794 1HD2 LEU 96 1HD2 LEU 96 -7.737 29.921 11.594 795 2HD2 LEU 96 2HD2 LEU 96 -7.174 29.506 13.203 796 3HD2 LEU 96 3HD2 LEU 96 -8.665 28.835 12.635 797 H THR 97 H THR 97 -7.944 34.656 12.689 798 HA THR 97 HA THR 97 -8.356 34.202 9.904 799 HB THR 97 HB THR 97 -7.938 36.701 11.614 800 HG1 THR 97 HG1 THR 97 -10.080 36.828 11.457 801 1HG2 THR 97 1HG2 THR 97 -8.429 36.816 8.670 802 2HG2 THR 97 2HG2 THR 97 -8.643 38.149 9.842 803 3HG2 THR 97 3HG2 THR 97 -7.040 37.457 9.594 804 H GLU 98 H GLU 98 -5.415 35.178 11.542 805 HA GLU 98 HA GLU 98 -4.125 35.403 8.887 806 1HB GLU 98 1HB GLU 98 -3.630 37.010 10.906 807 2HB GLU 98 2HB GLU 98 -2.803 35.619 11.637 808 1HG GLU 98 1HG GLU 98 -1.392 35.499 9.538 809 2HG GLU 98 2HG GLU 98 -2.201 36.971 8.971 810 H TYR 99 H TYR 99 -4.305 33.203 11.655 811 HA TYR 99 HA TYR 99 -2.295 31.686 10.473 812 1HB TYR 99 1HB TYR 99 -3.710 31.075 12.795 813 2HB TYR 99 2HB TYR 99 -4.427 29.950 11.706 814 HD1 TYR 99 HD1 TYR 99 -0.904 30.247 10.544 815 HD2 TYR 99 HD2 TYR 99 -3.316 28.419 13.663 816 HE1 TYR 99 HE1 TYR 99 0.893 28.635 11.025 817 HE2 TYR 99 HE2 TYR 99 -1.398 26.802 14.073 818 HH TYR 99 HH TYR 99 1.480 26.837 12.004 819 H CYS 100 H CYS 100 -5.763 31.551 9.756 820 HA CYS 100 HA CYS 100 -5.454 29.210 8.145 821 1HB CYS 100 1HB CYS 100 -7.676 30.314 8.719 822 2HB CYS 100 2HB CYS 100 -7.335 31.537 7.469 823 HG CYS 100 HG CYS 100 -8.990 29.825 6.465 824 H SER 101 H SER 101 -5.074 32.639 7.301 825 HA SER 101 HA SER 101 -4.280 32.052 4.589 826 1HB SER 101 1HB SER 101 -3.578 34.449 6.358 827 2HB SER 101 2HB SER 101 -3.487 34.408 4.584 828 HG SER 101 HG SER 101 -5.463 35.323 5.514 829 H THR 102 H THR 102 -2.424 32.135 7.541 830 HA THR 102 HA THR 102 0.121 31.948 6.130 831 HB THR 102 HB THR 102 -0.509 32.261 9.092 832 HG1 THR 102 HG1 THR 102 0.241 34.091 7.057 833 1HG2 THR 102 1HG2 THR 102 1.814 33.322 9.067 834 2HG2 THR 102 2HG2 THR 102 1.703 31.551 9.101 835 3HG2 THR 102 3HG2 THR 102 2.097 32.425 7.580 836 H LEU 103 H LEU 103 -1.895 29.723 7.810 837 HA LEU 103 HA LEU 103 0.051 27.575 7.999 838 1HB LEU 103 1HB LEU 103 -2.771 27.961 8.539 839 2HB LEU 103 2HB LEU 103 -2.694 26.610 7.616 840 HG LEU 103 HG LEU 103 -1.284 26.844 10.287 841 1HD1 LEU 103 1HD1 LEU 103 -3.059 26.388 11.402 842 2HD1 LEU 103 2HD1 LEU 103 -3.989 26.892 10.017 843 3HD1 LEU 103 3HD1 LEU 103 -3.666 25.184 10.241 844 1HD2 LEU 103 1HD2 LEU 103 -1.061 24.475 10.339 845 2HD2 LEU 103 2HD2 LEU 103 -2.225 24.239 9.057 846 3HD2 LEU 103 3HD2 LEU 103 -0.601 24.819 8.677 847 H MET 104 H MET 104 -2.024 29.008 5.517 848 HA MET 104 HA MET 104 -1.414 26.972 3.635 849 1HB MET 104 1HB MET 104 -3.032 29.564 3.789 850 2HB MET 104 2HB MET 104 -2.750 28.903 2.195 851 1HG MET 104 1HG MET 104 -3.820 26.978 4.203 852 2HG MET 104 2HG MET 104 -4.898 28.278 3.683 853 1HE MET 104 1HE MET 104 -2.584 25.381 2.431 854 2HE MET 104 2HE MET 104 -2.968 25.339 0.692 855 3HE MET 104 3HE MET 104 -2.090 26.721 1.363 856 H SER 105 H SER 105 0.333 29.552 4.681 857 HA SER 105 HA SER 105 1.610 29.843 2.023 858 1HB SER 105 1HB SER 105 2.119 32.372 2.690 859 2HB SER 105 2HB SER 105 0.454 32.109 3.252 860 HG SER 105 HG SER 105 1.900 32.976 4.761 861 H LEU 106 H LEU 106 2.263 29.239 5.475 862 HA LEU 106 HA LEU 106 4.593 29.669 5.791 863 1HB LEU 106 1HB LEU 106 3.122 27.092 6.353 864 2HB LEU 106 2HB LEU 106 4.737 27.372 6.889 865 HG LEU 106 HG LEU 106 2.280 28.514 8.048 866 1HD1 LEU 106 1HD1 LEU 106 4.956 27.759 9.210 867 2HD1 LEU 106 2HD1 LEU 106 3.423 28.001 10.071 868 3HD1 LEU 106 3HD1 LEU 106 3.609 26.615 8.965 869 1HD2 LEU 106 1HD2 LEU 106 3.499 30.243 9.245 870 2HD2 LEU 106 2HD2 LEU 106 4.921 29.999 8.218 871 3HD2 LEU 106 3HD2 LEU 106 3.401 30.612 7.514 872 HA PRO 107 HA PRO 107 7.256 27.799 2.840 873 1HB PRO 107 1HB PRO 107 9.711 28.465 3.680 874 2HB PRO 107 2HB PRO 107 8.539 29.721 3.152 875 1HG PRO 107 1HG PRO 107 9.191 28.834 5.991 876 2HG PRO 107 2HG PRO 107 9.057 30.509 5.387 877 1HD PRO 107 1HD PRO 107 7.040 29.069 6.654 878 2HD PRO 107 2HD PRO 107 6.754 30.456 5.553 879 H THR 108 H THR 108 6.895 26.820 5.936 880 HA THR 108 HA THR 108 8.775 24.501 5.956 881 HB THR 108 HB THR 108 7.138 24.177 8.052 882 HG1 THR 108 HG1 THR 108 6.207 26.074 8.746 883 1HG2 THR 108 1HG2 THR 108 8.319 25.865 9.412 884 2HG2 THR 108 2HG2 THR 108 9.393 24.795 8.466 885 3HG2 THR 108 3HG2 THR 108 9.078 26.474 7.924 886 H LYS 109 H LYS 109 7.357 24.679 3.655 887 HA LYS 109 HA LYS 109 4.906 23.229 4.082 888 1HB LYS 109 1HB LYS 109 5.659 24.676 1.903 889 2HB LYS 109 2HB LYS 109 6.539 23.265 1.377 890 1HG LYS 109 1HG LYS 109 3.617 22.913 2.053 891 2HG LYS 109 2HG LYS 109 4.029 23.879 0.631 892 1HD LYS 109 1HD LYS 109 5.364 22.033 -0.309 893 2HD LYS 109 2HD LYS 109 4.953 21.010 1.071 894 1HE LYS 109 1HE LYS 109 2.487 21.389 0.475 895 2HE LYS 109 2HE LYS 109 3.054 22.155 -1.017 896 1HZ LYS 109 1HZ LYS 109 3.604 19.392 -0.163 897 2HZ LYS 109 2HZ LYS 109 2.552 19.853 -1.344 898 3HZ LYS 109 3HZ LYS 109 4.170 20.084 -1.548 899 H ILE 110 H ILE 110 8.007 22.129 4.184 900 HA ILE 110 HA ILE 110 7.170 19.322 3.697 901 HB ILE 110 HB ILE 110 9.874 20.476 4.521 902 1HG1 ILE 110 1HG1 ILE 110 8.875 19.517 1.794 903 2HG1 ILE 110 2HG1 ILE 110 9.136 21.205 2.254 904 1HG2 ILE 110 1HG2 ILE 110 9.136 17.671 3.577 905 2HG2 ILE 110 2HG2 ILE 110 10.781 18.251 3.911 906 3HG2 ILE 110 3HG2 ILE 110 9.631 18.116 5.224 907 1HD1 ILE 110 1HD1 ILE 110 11.015 20.554 0.974 908 2HD1 ILE 110 2HD1 ILE 110 11.559 20.689 2.658 909 3HD1 ILE 110 3HD1 ILE 110 11.280 19.089 1.924 910 H SER 111 H SER 111 7.849 21.485 6.387 911 HA SER 111 HA SER 111 7.663 19.299 8.308 912 1HB SER 111 1HB SER 111 9.275 21.047 8.729 913 2HB SER 111 2HB SER 111 7.986 22.264 8.796 914 HG SER 111 HG SER 111 8.784 21.190 10.832 915 H ARG 112 H ARG 112 5.790 22.117 7.337 916 HA ARG 112 HA ARG 112 3.621 21.453 9.140 917 1HB ARG 112 1HB ARG 112 2.580 23.425 8.594 918 2HB ARG 112 2HB ARG 112 4.303 23.789 8.572 919 1HG ARG 112 1HG ARG 112 4.025 24.709 6.569 920 2HG ARG 112 2HG ARG 112 3.686 23.110 5.895 921 1HD ARG 112 1HD ARG 112 1.536 24.905 7.089 922 2HD ARG 112 2HD ARG 112 2.051 24.941 5.397 923 HE ARG 112 HE ARG 112 1.195 22.349 6.568 924 1HH1 ARG 112 1HH1 ARG 112 0.101 25.080 4.624 925 2HH1 ARG 112 2HH1 ARG 112 -0.766 24.099 3.467 926 1HH2 ARG 112 1HH2 ARG 112 -0.024 21.058 5.145 927 2HH2 ARG 112 2HH2 ARG 112 -0.920 21.785 3.838 928 H CYS 113 H CYS 113 4.408 20.165 6.066 929 HA CYS 113 HA CYS 113 1.711 19.916 5.106 930 1HB CYS 113 1HB CYS 113 4.299 18.699 4.327 931 2HB CYS 113 2HB CYS 113 2.907 17.619 4.156 932 HG CYS 113 HG CYS 113 3.185 20.663 3.006 933 HA PRO 114 HA PRO 114 1.331 15.729 7.330 934 1HB PRO 114 1HB PRO 114 3.281 14.918 9.128 935 2HB PRO 114 2HB PRO 114 3.325 14.492 7.392 936 1HG PRO 114 1HG PRO 114 4.734 16.802 8.759 937 2HG PRO 114 2HG PRO 114 5.441 15.604 7.636 938 1HD PRO 114 1HD PRO 114 4.681 18.009 6.750 939 2HD PRO 114 2HD PRO 114 4.295 16.563 5.774 940 H HIS 115 H HIS 115 2.735 18.454 9.033 941 HA HIS 115 HA HIS 115 1.273 17.779 11.339 942 1HB HIS 115 1HB HIS 115 3.188 19.411 11.242 943 2HB HIS 115 2HB HIS 115 1.979 20.632 10.835 944 HD1 HIS 115 HD1 HIS 115 1.321 17.751 13.306 945 HD2 HIS 115 HD2 HIS 115 2.089 21.863 13.372 946 HE1 HIS 115 HE1 HIS 115 0.938 18.537 15.670 947 H LEU 116 H LEU 116 0.463 20.107 8.635 948 HA LEU 116 HA LEU 116 -1.867 20.715 9.555 949 1HB LEU 116 1HB LEU 116 -0.795 21.627 7.416 950 2HB LEU 116 2HB LEU 116 -1.550 20.291 6.537 951 HG LEU 116 HG LEU 116 -2.627 22.807 7.587 952 1HD1 LEU 116 1HD1 LEU 116 -4.467 22.397 5.817 953 2HD1 LEU 116 2HD1 LEU 116 -2.946 21.975 5.032 954 3HD1 LEU 116 3HD1 LEU 116 -3.998 20.721 5.709 955 1HD2 LEU 116 1HD2 LEU 116 -4.554 20.628 7.917 956 2HD2 LEU 116 2HD2 LEU 116 -3.682 21.553 9.184 957 3HD2 LEU 116 3HD2 LEU 116 -4.736 22.391 8.102 958 H LEU 117 H LEU 117 -1.105 18.039 7.394 959 HA LEU 117 HA LEU 117 -3.685 16.771 7.099 960 1HB LEU 117 1HB LEU 117 -0.900 15.544 7.197 961 2HB LEU 117 2HB LEU 117 -2.384 14.652 6.970 962 HG LEU 117 HG LEU 117 -2.671 16.369 4.801 963 1HD1 LEU 117 1HD1 LEU 117 0.299 16.148 5.217 964 2HD1 LEU 117 2HD1 LEU 117 -0.504 16.399 3.658 965 3HD1 LEU 117 3HD1 LEU 117 -0.708 17.608 4.918 966 1HD2 LEU 117 1HD2 LEU 117 -0.992 13.943 4.688 967 2HD2 LEU 117 2HD2 LEU 117 -2.765 13.897 4.990 968 3HD2 LEU 117 3HD2 LEU 117 -2.159 14.683 3.555 969 H ASP 118 H ASP 118 -1.326 16.426 9.697 970 HA ASP 118 HA ASP 118 -3.164 14.775 11.288 971 1HB ASP 118 1HB ASP 118 -0.508 15.218 11.491 972 2HB ASP 118 2HB ASP 118 -1.029 16.552 12.531 973 H PHE 119 H PHE 119 -3.389 18.005 10.585 974 HA PHE 119 HA PHE 119 -4.391 19.062 13.149 975 1HB PHE 119 1HB PHE 119 -3.172 20.159 10.969 976 2HB PHE 119 2HB PHE 119 -4.846 20.394 10.453 977 HD1 PHE 119 HD1 PHE 119 -2.399 22.640 10.715 978 HD2 PHE 119 HD2 PHE 119 -5.553 21.214 13.260 979 HE1 PHE 119 HE1 PHE 119 -2.348 24.634 12.006 980 HE2 PHE 119 HE2 PHE 119 -5.506 23.386 14.565 981 HZ PHE 119 HZ PHE 119 -3.851 25.100 13.889 982 H PHE 120 H PHE 120 -5.310 17.970 10.037 983 HA PHE 120 HA PHE 120 -8.230 18.218 10.463 984 1HB PHE 120 1HB PHE 120 -6.314 17.442 8.130 985 2HB PHE 120 2HB PHE 120 -8.065 17.564 7.980 986 HD1 PHE 120 HD1 PHE 120 -6.571 18.880 6.065 987 HD2 PHE 120 HD2 PHE 120 -7.524 20.292 10.026 988 HE1 PHE 120 HE1 PHE 120 -6.574 21.225 5.243 989 HE2 PHE 120 HE2 PHE 120 -7.518 22.612 9.204 990 HZ PHE 120 HZ PHE 120 -7.064 23.078 6.826 991 H LYS 121 H LYS 121 -6.058 15.639 9.307 992 HA LYS 121 HA LYS 121 -8.067 13.683 9.172 993 1HB LYS 121 1HB LYS 121 -6.489 12.095 8.688 994 2HB LYS 121 2HB LYS 121 -5.752 13.608 8.136 995 1HG LYS 121 1HG LYS 121 -4.721 13.694 10.480 996 2HG LYS 121 2HG LYS 121 -5.153 11.993 10.652 997 1HD LYS 121 1HD LYS 121 -3.381 13.152 8.448 998 2HD LYS 121 2HD LYS 121 -2.790 12.409 9.942 999 1HE LYS 121 1HE LYS 121 -3.968 10.283 9.319 1000 2HE LYS 121 2HE LYS 121 -4.426 11.019 7.768 1001 1HZ LYS 121 1HZ LYS 121 -2.109 11.211 7.219 1002 2HZ LYS 121 2HZ LYS 121 -1.649 10.656 8.694 1003 3HZ LYS 121 3HZ LYS 121 -2.415 9.671 7.638 1004 H VAL 122 H VAL 122 -6.358 14.848 11.939 1005 HA VAL 122 HA VAL 122 -7.442 12.653 13.628 1006 HB VAL 122 HB VAL 122 -5.394 14.768 14.342 1007 1HG1 VAL 122 1HG1 VAL 122 -6.580 13.905 16.321 1008 2HG1 VAL 122 2HG1 VAL 122 -6.304 12.235 15.776 1009 3HG1 VAL 122 3HG1 VAL 122 -4.937 13.261 16.255 1010 1HG2 VAL 122 1HG2 VAL 122 -5.179 11.886 13.362 1011 2HG2 VAL 122 2HG2 VAL 122 -4.446 13.339 12.657 1012 3HG2 VAL 122 3HG2 VAL 122 -3.855 12.727 14.201 1013 H ARG 123 H ARG 123 -7.490 16.243 13.317 1014 HA ARG 123 HA ARG 123 -8.610 17.741 14.695 1015 1HB ARG 123 1HB ARG 123 -9.824 17.308 12.555 1016 2HB ARG 123 2HB ARG 123 -10.934 16.344 13.522 1017 1HG ARG 123 1HG ARG 123 -11.876 18.509 13.433 1018 2HG ARG 123 2HG ARG 123 -11.182 18.485 15.035 1019 1HD ARG 123 1HD ARG 123 -9.571 19.501 12.689 1020 2HD ARG 123 2HD ARG 123 -10.807 20.522 13.423 1021 HE ARG 123 HE ARG 123 -9.378 19.818 15.622 1022 1HH1 ARG 123 1HH1 ARG 123 -8.646 21.264 12.493 1023 2HH1 ARG 123 2HH1 ARG 123 -7.302 22.207 13.077 1024 1HH2 ARG 123 1HH2 ARG 123 -7.564 20.934 16.381 1025 2HH2 ARG 123 2HH2 ARG 123 -6.532 21.854 15.315 1026 HA PRO 124 HA PRO 124 -10.170 15.518 18.201 1027 1HB PRO 124 1HB PRO 124 -8.657 16.578 20.256 1028 2HB PRO 124 2HB PRO 124 -7.943 15.400 19.118 1029 1HG PRO 124 1HG PRO 124 -7.782 18.415 18.983 1030 2HG PRO 124 2HG PRO 124 -6.434 17.252 18.859 1031 1HD PRO 124 1HD PRO 124 -7.717 18.350 16.668 1032 2HD PRO 124 2HD PRO 124 -6.998 16.715 16.632 1033 H ASP 125 H ASP 125 -11.370 17.434 16.765 1034 HA ASP 125 HA ASP 125 -13.090 18.368 18.755 1035 1HB ASP 125 1HB ASP 125 -11.191 20.281 18.113 1036 2HB ASP 125 2HB ASP 125 -12.452 20.698 16.951 1037 H ASP 126 H ASP 126 -12.658 16.983 15.883 1038 HA ASP 126 HA ASP 126 -15.386 17.660 14.905 1039 1HB ASP 126 1HB ASP 126 -13.809 17.606 13.066 1040 2HB ASP 126 2HB ASP 126 -12.993 16.192 13.762 1041 H LEU 127 H LEU 127 -13.206 14.875 15.774 1042 HA LEU 127 HA LEU 127 -15.570 13.436 16.822 1043 1HB LEU 127 1HB LEU 127 -13.516 12.630 14.672 1044 2HB LEU 127 2HB LEU 127 -14.357 11.351 15.442 1045 HG LEU 127 HG LEU 127 -16.051 13.470 13.891 1046 1HD1 LEU 127 1HD1 LEU 127 -14.578 12.104 12.443 1047 2HD1 LEU 127 2HD1 LEU 127 -15.228 10.631 13.209 1048 3HD1 LEU 127 3HD1 LEU 127 -16.304 11.712 12.293 1049 1HD2 LEU 127 1HD2 LEU 127 -16.716 10.794 15.195 1050 2HD2 LEU 127 2HD2 LEU 127 -17.268 12.388 15.756 1051 3HD2 LEU 127 3HD2 LEU 127 -17.779 11.782 14.180 1052 H LYS 128 H LYS 128 -12.980 14.756 17.903 1053 HA LYS 128 HA LYS 128 -12.531 12.669 19.844 1054 1HB LYS 128 1HB LYS 128 -10.576 13.193 17.642 1055 2HB LYS 128 2HB LYS 128 -9.859 13.700 19.142 1056 1HG LYS 128 1HG LYS 128 -9.119 11.601 18.960 1057 2HG LYS 128 2HG LYS 128 -10.396 11.484 20.181 1058 1HD LYS 128 1HD LYS 128 -11.862 10.364 18.643 1059 2HD LYS 128 2HD LYS 128 -10.870 10.825 17.235 1060 1HE LYS 128 1HE LYS 128 -9.044 9.361 18.082 1061 2HE LYS 128 2HE LYS 128 -10.048 8.922 19.478 1062 1HZ LYS 128 1HZ LYS 128 -10.162 7.278 17.759 1063 2HZ LYS 128 2HZ LYS 128 -11.638 7.987 17.943 1064 3HZ LYS 128 3HZ LYS 128 -10.686 8.384 16.657 1065 H LEU 129 H LEU 129 -13.926 14.875 19.801 1066 HA LEU 129 HA LEU 129 -12.983 17.255 20.699 1067 1HB LEU 129 1HB LEU 129 -15.483 15.620 21.396 1068 2HB LEU 129 2HB LEU 129 -15.441 17.294 21.795 1069 HG LEU 129 HG LEU 129 -15.115 16.683 18.760 1070 1HD1 LEU 129 1HD1 LEU 129 -17.503 16.442 18.623 1071 2HD1 LEU 129 2HD1 LEU 129 -16.786 15.098 19.543 1072 3HD1 LEU 129 3HD1 LEU 129 -17.641 16.406 20.402 1073 1HD2 LEU 129 1HD2 LEU 129 -16.560 18.647 18.683 1074 2HD2 LEU 129 2HD2 LEU 129 -16.667 18.708 20.445 1075 3HD2 LEU 129 3HD2 LEU 129 -15.109 19.009 19.645 1076 HA PRO 130 HA PRO 130 -12.159 16.645 25.081 1077 1HB PRO 130 1HB PRO 130 -12.416 19.178 26.057 1078 2HB PRO 130 2HB PRO 130 -11.164 18.713 24.878 1079 1HG PRO 130 1HG PRO 130 -13.502 20.448 24.419 1080 2HG PRO 130 2HG PRO 130 -12.052 20.184 23.412 1081 1HD PRO 130 1HD PRO 130 -14.708 18.873 23.298 1082 2HD PRO 130 2HD PRO 130 -13.490 19.008 22.018
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