NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
22801 | 2jr5 | 15320 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1HT MET 1 1.293 20.860 4.205 2 2H MET 1 2HT MET 1 1.183 20.612 5.879 3 3H MET 1 3HT MET 1 -0.137 21.252 5.033 4 HA MET 1 HA MET 1 -0.559 18.973 5.538 5 1HB MET 1 2HB MET 1 0.090 19.471 2.629 6 2HB MET 1 1HB MET 1 -0.823 18.085 3.203 7 1HG MET 1 2HG MET 1 -2.550 19.548 4.072 8 2HG MET 1 1HG MET 1 -1.629 20.964 3.560 9 1HE MET 1 1HE MET 1 -4.683 20.470 2.792 10 2HE MET 1 2HE MET 1 -4.680 20.924 1.086 11 3HE MET 1 3HE MET 1 -3.774 21.881 2.258 12 H TYR 2 H TYR 2 0.533 17.458 6.499 13 HA TYR 2 HA TYR 2 1.806 15.620 6.804 14 1HB TYR 2 2HB TYR 2 1.312 15.589 4.117 15 2HB TYR 2 1HB TYR 2 3.072 15.551 4.155 16 HD1 TYR 2 1HD TYR 2 0.118 13.901 5.705 17 HD2 TYR 2 2HD TYR 2 4.141 13.497 4.398 18 HE1 TYR 2 1HE TYR 2 0.029 11.497 6.202 19 HE2 TYR 2 2HE TYR 2 4.065 11.088 4.889 20 HH TYR 2 HH TYR 2 1.197 9.430 5.460 21 H THR 3 H THR 3 4.021 14.882 7.041 22 HA THR 3 HA THR 3 6.053 16.972 6.727 23 HB THR 3 HB THR 3 6.931 16.422 9.001 24 HG1 THR 3 1HG THR 3 5.387 15.360 10.431 25 1HG2 THR 3 1HG2 THR 3 4.107 17.495 8.942 26 2HG2 THR 3 2HG2 THR 3 5.582 18.429 8.696 27 3HG2 THR 3 3HG2 THR 3 5.253 17.701 10.267 28 H ALA 4 H ALA 4 8.220 16.170 6.642 29 HA ALA 4 HA ALA 4 8.620 13.583 5.577 30 1HB ALA 4 1HB ALA 4 10.178 15.432 5.197 31 2HB ALA 4 2HB ALA 4 11.010 14.036 5.882 32 3HB ALA 4 3HB ALA 4 10.617 15.419 6.904 33 H GLU 5 H GLU 5 8.514 14.836 8.790 34 HA GLU 5 HA GLU 5 9.698 12.775 10.256 35 1HB GLU 5 2HB GLU 5 9.109 14.991 11.128 36 2HB GLU 5 1HB GLU 5 7.406 14.609 10.962 37 1HG GLU 5 2HG GLU 5 9.009 12.758 12.593 38 2HG GLU 5 1HG GLU 5 8.767 14.378 13.233 39 H GLN 6 H GLN 6 6.351 13.270 9.221 40 HA GLN 6 HA GLN 6 5.298 10.896 10.323 41 1HB GLN 6 2HB GLN 6 3.946 12.848 9.584 42 2HB GLN 6 1HB GLN 6 4.320 12.443 7.915 43 1HG GLN 6 2HG GLN 6 2.114 11.659 8.480 44 2HG GLN 6 1HG GLN 6 3.186 10.289 8.193 45 1HE2 GLN 6 1HE2 GLN 6 1.431 12.097 10.588 46 2HE2 GLN 6 2HE2 GLN 6 1.525 10.911 11.839 47 H LYS 7 H LYS 7 6.763 11.644 7.204 48 HA LYS 7 HA LYS 7 6.217 9.240 5.875 49 1HB LYS 7 2HB LYS 7 8.550 11.132 5.603 50 2HB LYS 7 1HB LYS 7 8.269 9.776 4.521 51 1HG LYS 7 2HG LYS 7 6.082 10.759 3.923 52 2HG LYS 7 1HG LYS 7 6.469 12.152 4.936 53 1HD LYS 7 2HD LYS 7 6.949 12.569 2.556 54 2HD LYS 7 1HD LYS 7 8.399 12.659 3.557 55 1HE LYS 7 2HE LYS 7 8.999 10.381 2.901 56 2HE LYS 7 1HE LYS 7 7.546 10.279 1.908 57 1HZ LYS 7 1HZ LYS 7 8.383 11.949 0.459 58 2HZ LYS 7 2HZ LYS 7 9.620 10.806 0.671 59 3HZ LYS 7 3HZ LYS 7 9.690 12.289 1.485 60 H ALA 8 H ALA 8 8.720 10.079 8.182 61 HA ALA 8 HA ALA 8 10.363 7.818 7.840 62 1HB ALA 8 1HB ALA 8 11.097 9.825 9.029 63 2HB ALA 8 2HB ALA 8 11.280 8.387 10.035 64 3HB ALA 8 3HB ALA 8 9.936 9.493 10.313 65 H ARG 9 H ARG 9 7.490 8.379 9.805 66 HA ARG 9 HA ARG 9 7.600 6.000 11.321 67 1HB ARG 9 2HB ARG 9 5.125 7.504 10.452 68 2HB ARG 9 1HB ARG 9 5.240 6.367 11.786 69 1HG ARG 9 2HG ARG 9 6.855 7.914 12.882 70 2HG ARG 9 1HG ARG 9 6.532 9.080 11.595 71 1HD ARG 9 2HD ARG 9 4.093 8.905 12.212 72 2HD ARG 9 1HD ARG 9 4.595 7.986 13.629 73 HE ARG 9 HE ARG 9 5.894 10.551 13.341 74 1HH1 ARG 9 1HH1 ARG 9 3.141 8.821 14.685 75 2HH1 ARG 9 2HH1 ARG 9 2.811 10.048 15.871 76 1HH2 ARG 9 1HH2 ARG 9 5.447 12.141 14.872 77 2HH2 ARG 9 2HH2 ARG 9 4.116 11.936 15.984 78 H ILE 10 H ILE 10 6.281 6.765 8.155 79 HA ILE 10 HA ILE 10 4.970 4.311 7.653 80 HB ILE 10 HB ILE 10 6.260 6.176 5.652 81 1HG1 ILE 10 2HG1 ILE 10 3.418 6.109 6.687 82 2HG1 ILE 10 1HG1 ILE 10 4.627 7.322 7.098 83 1HG2 ILE 10 1HG2 ILE 10 5.777 4.018 4.672 84 2HG2 ILE 10 2HG2 ILE 10 4.636 5.218 4.064 85 3HG2 ILE 10 3HG2 ILE 10 4.130 4.068 5.302 86 1HD1 ILE 10 1HD1 ILE 10 4.709 8.052 4.795 87 2HD1 ILE 10 2HD1 ILE 10 3.058 8.118 5.411 88 3HD1 ILE 10 3HD1 ILE 10 3.549 6.805 4.339 89 H LYS 11 H LYS 11 8.227 5.472 6.985 90 HA LYS 11 HA LYS 11 9.200 3.360 5.468 91 1HB LYS 11 2HB LYS 11 10.357 5.519 5.802 92 2HB LYS 11 1HB LYS 11 10.715 5.059 7.459 93 1HG LYS 11 2HG LYS 11 12.662 4.734 6.107 94 2HG LYS 11 1HG LYS 11 12.042 3.163 6.613 95 1HD LYS 11 2HD LYS 11 11.050 2.798 4.452 96 2HD LYS 11 1HD LYS 11 11.473 4.433 3.940 97 1HE LYS 11 2HE LYS 11 13.413 2.228 4.631 98 2HE LYS 11 1HE LYS 11 13.022 2.796 3.007 99 1HZ LYS 11 1HZ LYS 11 13.873 5.000 3.667 100 2HZ LYS 11 2HZ LYS 11 15.063 3.793 3.713 101 3HZ LYS 11 3HZ LYS 11 14.365 4.349 5.156 102 H TRP 12 H TRP 12 9.083 3.723 8.992 103 HA TRP 12 HA TRP 12 10.473 1.280 9.507 104 1HB TRP 12 2HB TRP 12 8.833 3.115 11.229 105 2HB TRP 12 1HB TRP 12 9.451 1.594 11.844 106 HD1 TRP 12 HD TRP 12 10.858 4.876 10.286 107 HE1 TRP 12 1HE TRP 12 13.197 5.269 11.311 108 HE3 TRP 12 3HE TRP 12 11.209 0.643 13.062 109 HZ2 TRP 12 2HZ TRP 12 14.950 3.934 13.087 110 HZ3 TRP 12 3HZ TRP 12 13.239 0.252 14.407 111 HH2 TRP 12 HH TRP 12 15.070 1.869 14.417 112 H ALA 13 H ALA 13 7.153 2.077 8.886 113 HA ALA 13 HA ALA 13 6.116 -0.272 10.206 114 1HB ALA 13 1HB ALA 13 3.939 0.570 9.589 115 2HB ALA 13 2HB ALA 13 4.676 1.764 8.521 116 3HB ALA 13 3HB ALA 13 4.921 1.871 10.264 117 H CYS 14 H CYS 14 6.741 0.726 6.878 118 HA CYS 14 HA CYS 14 5.168 -1.283 5.646 119 1HB CYS 14 2HB CYS 14 6.327 -0.707 3.589 120 2HB CYS 14 1HB CYS 14 5.919 0.759 4.475 121 HG CYS 14 HG CYS 14 8.952 -0.582 3.815 122 H ARG 15 H ARG 15 8.277 -1.323 7.085 123 HA ARG 15 HA ARG 15 9.429 -3.512 5.722 124 1HB ARG 15 2HB ARG 15 9.927 -2.437 8.498 125 2HB ARG 15 1HB ARG 15 10.943 -3.619 7.691 126 1HG ARG 15 2HG ARG 15 10.468 -1.125 6.206 127 2HG ARG 15 1HG ARG 15 11.407 -0.977 7.692 128 1HD ARG 15 2HD ARG 15 13.005 -1.361 6.031 129 2HD ARG 15 1HD ARG 15 12.796 -2.921 6.818 130 HE ARG 15 HE ARG 15 11.350 -2.335 4.322 131 1HH1 ARG 15 1HH1 ARG 15 13.653 -4.245 6.146 132 2HH1 ARG 15 2HH1 ARG 15 13.933 -5.384 4.864 133 1HH2 ARG 15 1HH2 ARG 15 11.768 -3.789 2.592 134 2HH2 ARG 15 2HH2 ARG 15 12.859 -5.120 2.843 135 H ARG 16 H ARG 16 7.879 -5.161 5.594 136 HA ARG 16 HA ARG 16 7.309 -6.556 8.119 137 1HB ARG 16 2HB ARG 16 6.033 -6.619 5.410 138 2HB ARG 16 1HB ARG 16 5.929 -8.045 6.430 139 1HG ARG 16 2HG ARG 16 3.952 -6.829 6.801 140 2HG ARG 16 1HG ARG 16 4.960 -6.546 8.218 141 1HD ARG 16 2HD ARG 16 5.620 -4.382 7.349 142 2HD ARG 16 1HD ARG 16 4.706 -4.674 5.870 143 HE ARG 16 HE ARG 16 3.621 -4.034 8.508 144 1HH1 ARG 16 1HH1 ARG 16 3.026 -4.912 5.174 145 2HH1 ARG 16 2HH1 ARG 16 1.366 -4.378 5.185 146 1HH2 ARG 16 1HH2 ARG 16 1.422 -3.304 8.510 147 2HH2 ARG 16 2HH2 ARG 16 0.483 -3.459 7.053 148 H GLY 17 H GLY 17 7.146 -9.134 7.446 149 1HA GLY 17 2HA GLY 17 9.903 -9.860 6.962 150 2HA GLY 17 1HA GLY 17 8.582 -10.954 7.348 151 H MET 18 H MET 18 7.347 -9.223 4.948 152 HA MET 18 HA MET 18 8.532 -10.893 2.842 153 1HB MET 18 2HB MET 18 6.342 -10.840 1.691 154 2HB MET 18 1HB MET 18 6.268 -11.643 3.251 155 1HG MET 18 2HG MET 18 5.312 -9.614 4.238 156 2HG MET 18 1HG MET 18 5.357 -8.839 2.655 157 1HE MET 18 1HE MET 18 3.743 -11.675 4.842 158 2HE MET 18 2HE MET 18 4.483 -12.590 3.528 159 3HE MET 18 3HE MET 18 2.727 -12.499 3.659 160 H LEU 19 H LEU 19 9.205 -9.905 1.030 161 HA LEU 19 HA LEU 19 9.718 -7.104 1.244 162 1HB LEU 19 2HB LEU 19 10.303 -9.107 -0.928 163 2HB LEU 19 1HB LEU 19 10.899 -7.465 -0.915 164 HG LEU 19 HG LEU 19 11.542 -9.548 1.170 165 1HD1 LEU 19 1HD1 LEU 19 12.555 -10.124 -0.948 166 2HD1 LEU 19 2HD1 LEU 19 13.787 -9.530 0.165 167 3HD1 LEU 19 3HD1 LEU 19 13.185 -8.485 -1.122 168 1HD2 LEU 19 1HD2 LEU 19 13.227 -7.932 1.921 169 2HD2 LEU 19 2HD2 LEU 19 11.592 -7.288 2.067 170 3HD2 LEU 19 3HD2 LEU 19 12.628 -6.766 0.739 171 H GLU 20 H GLU 20 7.385 -9.031 -0.394 172 HA GLU 20 HA GLU 20 6.778 -7.488 -2.610 173 1HB GLU 20 2HB GLU 20 4.975 -9.207 -0.916 174 2HB GLU 20 1HB GLU 20 4.476 -8.487 -2.439 175 1HG GLU 20 2HG GLU 20 5.094 -10.727 -2.876 176 2HG GLU 20 1HG GLU 20 6.358 -9.700 -3.541 177 H LEU 21 H LEU 21 5.557 -7.166 0.700 178 HA LEU 21 HA LEU 21 3.724 -5.084 0.024 179 1HB LEU 21 2HB LEU 21 4.839 -5.911 2.703 180 2HB LEU 21 1HB LEU 21 3.515 -4.787 2.471 181 HG LEU 21 HG LEU 21 3.491 -7.708 1.705 182 1HD1 LEU 21 1HD1 LEU 21 3.433 -7.374 4.114 183 2HD1 LEU 21 2HD1 LEU 21 1.867 -7.928 3.521 184 3HD1 LEU 21 3HD1 LEU 21 2.103 -6.230 3.935 185 1HD2 LEU 21 1HD2 LEU 21 2.135 -6.307 0.210 186 2HD2 LEU 21 2HD2 LEU 21 1.282 -5.659 1.612 187 3HD2 LEU 21 3HD2 LEU 21 1.143 -7.370 1.209 188 H ASP 22 H ASP 22 6.936 -5.171 1.498 189 HA ASP 22 HA ASP 22 7.132 -2.434 2.094 190 1HB ASP 22 2HB ASP 22 8.622 -4.022 3.122 191 2HB ASP 22 1HB ASP 22 9.256 -4.512 1.556 192 H VAL 23 H VAL 23 7.937 -4.270 -0.813 193 HA VAL 23 HA VAL 23 9.308 -2.095 -2.060 194 HB VAL 23 HB VAL 23 9.721 -4.531 -2.552 195 1HG1 VAL 23 1HG1 VAL 23 7.452 -5.311 -2.794 196 2HG1 VAL 23 2HG1 VAL 23 8.337 -5.580 -4.296 197 3HG1 VAL 23 3HG1 VAL 23 7.199 -4.239 -4.172 198 1HG2 VAL 23 1HG2 VAL 23 10.217 -4.148 -4.920 199 2HG2 VAL 23 2HG2 VAL 23 10.653 -2.754 -3.933 200 3HG2 VAL 23 3HG2 VAL 23 9.181 -2.721 -4.904 201 H VAL 24 H VAL 24 5.962 -2.950 -1.804 202 HA VAL 24 HA VAL 24 5.318 -1.226 -4.094 203 HB VAL 24 HB VAL 24 3.011 -2.017 -3.915 204 1HG1 VAL 24 1HG1 VAL 24 3.374 -4.353 -4.575 205 2HG1 VAL 24 2HG1 VAL 24 5.020 -4.271 -3.946 206 3HG1 VAL 24 3HG1 VAL 24 4.550 -3.269 -5.318 207 1HG2 VAL 24 1HG2 VAL 24 3.994 -3.732 -1.632 208 2HG2 VAL 24 2HG2 VAL 24 2.391 -3.805 -2.363 209 3HG2 VAL 24 3HG2 VAL 24 2.900 -2.354 -1.500 210 H ILE 25 H ILE 25 6.094 -0.681 -1.079 211 HA ILE 25 HA ILE 25 4.084 1.451 -0.787 212 HB ILE 25 HB ILE 25 5.596 0.026 1.406 213 1HG1 ILE 25 2HG1 ILE 25 2.630 0.167 0.815 214 2HG1 ILE 25 1HG1 ILE 25 3.664 -1.211 0.453 215 1HG2 ILE 25 1HG2 ILE 25 3.658 2.327 1.594 216 2HG2 ILE 25 2HG2 ILE 25 5.391 2.398 1.909 217 3HG2 ILE 25 3HG2 ILE 25 4.342 1.444 2.959 218 1HD1 ILE 25 1HD1 ILE 25 3.056 -0.126 3.194 219 2HD1 ILE 25 2HD1 ILE 25 4.105 -1.498 2.839 220 3HD1 ILE 25 3HD1 ILE 25 2.382 -1.587 2.472 221 H MET 26 H MET 26 7.493 0.594 -0.200 222 HA MET 26 HA MET 26 8.366 3.029 0.777 223 1HB MET 26 2HB MET 26 9.719 1.000 0.835 224 2HB MET 26 1HB MET 26 9.915 1.061 -0.912 225 1HG MET 26 2HG MET 26 10.979 3.339 -0.552 226 2HG MET 26 1HG MET 26 11.050 2.911 1.157 227 1HE MET 26 1HE MET 26 12.316 0.683 2.029 228 2HE MET 26 2HE MET 26 13.279 -0.356 0.977 229 3HE MET 26 3HE MET 26 11.524 -0.308 0.804 230 HA PRO 27 HA PRO 27 9.318 4.774 -3.492 231 1HB PRO 27 2HB PRO 27 9.203 3.326 -5.743 232 2HB PRO 27 1HB PRO 27 10.566 3.200 -4.626 233 1HG PRO 27 2HG PRO 27 8.320 1.322 -5.092 234 2HG PRO 27 1HG PRO 27 9.984 0.986 -4.592 235 1HD PRO 27 2HD PRO 27 7.700 1.132 -2.924 236 2HD PRO 27 1HD PRO 27 9.392 1.010 -2.408 237 H PHE 28 H PHE 28 6.534 2.713 -3.384 238 HA PHE 28 HA PHE 28 5.083 3.961 -5.479 239 1HB PHE 28 2HB PHE 28 4.523 1.704 -4.720 240 2HB PHE 28 1HB PHE 28 4.074 2.335 -3.139 241 HD1 PHE 28 1HD PHE 28 3.238 2.682 -6.746 242 HD2 PHE 28 2HD PHE 28 1.870 2.895 -2.722 243 HE1 PHE 28 1HE PHE 28 0.937 3.031 -7.546 244 HE2 PHE 28 2HE PHE 28 -0.426 3.253 -3.517 245 HZ PHE 28 HZ PHE 28 -0.897 3.319 -5.930 246 H PHE 29 H PHE 29 5.300 4.479 -1.994 247 HA PHE 29 HA PHE 29 3.230 6.332 -1.708 248 1HB PHE 29 2HB PHE 29 4.469 5.349 0.197 249 2HB PHE 29 1HB PHE 29 5.884 6.296 -0.252 250 HD1 PHE 29 2HD PHE 29 2.318 6.660 0.725 251 HD2 PHE 29 1HD PHE 29 6.193 8.412 0.645 252 HE1 PHE 29 2HE PHE 29 1.501 8.524 2.109 253 HE2 PHE 29 1HE PHE 29 5.388 10.277 2.032 254 HZ PHE 29 HZ PHE 29 3.038 10.334 2.767 255 H GLU 30 H GLU 30 6.492 6.715 -2.908 256 HA GLU 30 HA GLU 30 6.718 9.495 -2.894 257 1HB GLU 30 2HB GLU 30 7.809 7.595 -4.980 258 2HB GLU 30 1HB GLU 30 8.444 9.184 -4.575 259 1HG GLU 30 2HG GLU 30 8.851 8.321 -2.274 260 2HG GLU 30 1HG GLU 30 8.446 6.719 -2.870 261 H GLU 31 H GLU 31 5.262 7.307 -5.181 262 HA GLU 31 HA GLU 31 4.509 9.417 -7.020 263 1HB GLU 31 2HB GLU 31 3.742 6.493 -6.980 264 2HB GLU 31 1HB GLU 31 3.400 7.621 -8.283 265 1HG GLU 31 2HG GLU 31 5.778 7.898 -8.694 266 2HG GLU 31 1HG GLU 31 6.144 6.804 -7.360 267 H CYS 32 H CYS 32 2.862 7.234 -4.768 268 HA CYS 32 HA CYS 32 0.250 8.025 -5.564 269 1HB CYS 32 2HB CYS 32 0.947 5.793 -4.567 270 2HB CYS 32 1HB CYS 32 0.985 6.605 -3.007 271 HG CYS 32 HG CYS 32 -1.389 4.998 -3.533 272 H PHE 33 H PHE 33 2.505 9.247 -3.239 273 HA PHE 33 HA PHE 33 0.855 10.497 -1.394 274 1HB PHE 33 2HB PHE 33 3.254 10.399 -1.119 275 2HB PHE 33 1HB PHE 33 3.502 11.390 -2.547 276 HD1 PHE 33 1HD PHE 33 1.840 11.502 0.784 277 HD2 PHE 33 2HD PHE 33 3.869 13.647 -2.279 278 HE1 PHE 33 1HE PHE 33 1.862 13.502 2.209 279 HE2 PHE 33 2HE PHE 33 3.888 15.657 -0.859 280 HZ PHE 33 HZ PHE 33 2.885 15.585 1.387 281 H ASP 34 H ASP 34 1.734 11.481 -4.637 282 HA ASP 34 HA ASP 34 0.674 14.095 -4.586 283 1HB ASP 34 2HB ASP 34 2.222 13.280 -6.316 284 2HB ASP 34 1HB ASP 34 0.981 12.184 -6.912 285 H SER 35 H SER 35 -0.792 10.972 -4.896 286 HA SER 35 HA SER 35 -3.324 12.135 -5.814 287 1HB SER 35 2HB SER 35 -2.429 10.262 -7.140 288 2HB SER 35 1HB SER 35 -2.408 9.245 -5.702 289 HG SER 35 HG SER 35 -4.820 10.467 -6.504 290 H LEU 36 H LEU 36 -1.821 11.325 -2.966 291 HA LEU 36 HA LEU 36 -4.290 10.375 -1.696 292 1HB LEU 36 2HB LEU 36 -1.421 10.294 -0.790 293 2HB LEU 36 1HB LEU 36 -2.766 9.896 0.261 294 HG LEU 36 HG LEU 36 -2.030 8.443 -2.280 295 1HD1 LEU 36 1HD1 LEU 36 -1.446 6.605 -0.754 296 2HD1 LEU 36 2HD1 LEU 36 -1.746 7.669 0.620 297 3HD1 LEU 36 3HD1 LEU 36 -0.435 8.028 -0.503 298 1HD2 LEU 36 1HD2 LEU 36 -4.172 7.872 -0.232 299 2HD2 LEU 36 2HD2 LEU 36 -3.737 6.825 -1.583 300 3HD2 LEU 36 3HD2 LEU 36 -4.435 8.417 -1.888 301 H THR 37 H THR 37 -5.451 11.680 -0.500 302 HA THR 37 HA THR 37 -4.387 14.270 0.314 303 HB THR 37 HB THR 37 -6.755 14.611 1.171 304 HG1 THR 37 1HG THR 37 -7.154 12.151 -0.249 305 1HG2 THR 37 1HG2 THR 37 -6.383 13.940 -1.752 306 2HG2 THR 37 2HG2 THR 37 -6.054 15.496 -0.988 307 3HG2 THR 37 3HG2 THR 37 -7.709 14.893 -1.087 308 H GLU 38 H GLU 38 -4.897 15.006 2.584 309 HA GLU 38 HA GLU 38 -3.478 13.444 4.421 310 1HB GLU 38 2HB GLU 38 -5.548 15.540 5.121 311 2HB GLU 38 1HB GLU 38 -4.186 15.029 6.100 312 1HG GLU 38 2HG GLU 38 -4.042 16.514 3.489 313 2HG GLU 38 1HG GLU 38 -3.778 17.191 5.093 314 H SER 39 H SER 39 -6.980 13.839 4.011 315 HA SER 39 HA SER 39 -7.845 12.322 6.174 316 1HB SER 39 2HB SER 39 -9.284 13.742 4.693 317 2HB SER 39 1HB SER 39 -9.193 12.480 3.467 318 HG SER 39 HG SER 39 -10.656 11.392 4.509 319 H GLU 40 H GLU 40 -6.986 11.268 2.890 320 HA GLU 40 HA GLU 40 -7.563 8.509 3.323 321 1HB GLU 40 2HB GLU 40 -5.684 9.786 1.322 322 2HB GLU 40 1HB GLU 40 -6.284 8.137 1.257 323 1HG GLU 40 2HG GLU 40 -8.518 8.901 0.860 324 2HG GLU 40 1HG GLU 40 -8.031 10.578 1.114 325 H GLN 41 H GLN 41 -4.722 10.538 3.558 326 HA GLN 41 HA GLN 41 -2.825 8.503 3.971 327 1HB GLN 41 2HB GLN 41 -2.841 11.451 4.567 328 2HB GLN 41 1HB GLN 41 -1.446 10.445 4.903 329 1HG GLN 41 2HG GLN 41 -1.621 9.732 2.444 330 2HG GLN 41 1HG GLN 41 -2.675 11.134 2.267 331 1HE2 GLN 41 1HE2 GLN 41 -1.801 13.210 2.535 332 2HE2 GLN 41 2HE2 GLN 41 -0.102 13.490 2.458 333 H ASP 42 H ASP 42 -4.855 10.319 6.217 334 HA ASP 42 HA ASP 42 -3.593 9.566 8.614 335 1HB ASP 42 2HB ASP 42 -5.247 11.289 8.685 336 2HB ASP 42 1HB ASP 42 -6.475 10.232 8.002 337 H ASP 43 H ASP 43 -6.217 8.043 6.816 338 HA ASP 43 HA ASP 43 -6.591 5.915 8.662 339 1HB ASP 43 2HB ASP 43 -8.172 6.842 6.800 340 2HB ASP 43 1HB ASP 43 -7.324 5.703 5.759 341 H PHE 44 H PHE 44 -4.608 6.415 5.840 342 HA PHE 44 HA PHE 44 -3.681 3.766 5.501 343 1HB PHE 44 2HB PHE 44 -3.450 5.462 3.754 344 2HB PHE 44 1HB PHE 44 -2.399 6.418 4.791 345 HD1 PHE 44 1HD PHE 44 -2.626 3.055 3.203 346 HD2 PHE 44 2HD PHE 44 -0.110 6.192 4.597 347 HE1 PHE 44 1HE PHE 44 -0.669 1.901 2.257 348 HE2 PHE 44 2HE PHE 44 1.852 5.044 3.655 349 HZ PHE 44 HZ PHE 44 1.572 2.895 2.479 350 H VAL 45 H VAL 45 -2.289 6.563 7.220 351 HA VAL 45 HA VAL 45 -0.019 5.185 8.190 352 HB VAL 45 HB VAL 45 -1.385 7.640 9.307 353 1HG1 VAL 45 1HG1 VAL 45 1.366 6.532 9.869 354 2HG1 VAL 45 2HG1 VAL 45 0.019 6.611 11.004 355 3HG1 VAL 45 3HG1 VAL 45 0.765 8.097 10.417 356 1HG2 VAL 45 1HG2 VAL 45 -0.630 7.973 7.035 357 2HG2 VAL 45 2HG2 VAL 45 0.962 7.332 7.439 358 3HG2 VAL 45 3HG2 VAL 45 0.419 8.854 8.146 359 H ALA 46 H ALA 46 -3.256 5.678 9.497 360 HA ALA 46 HA ALA 46 -2.884 4.610 12.053 361 1HB ALA 46 1HB ALA 46 -5.338 4.420 10.308 362 2HB ALA 46 2HB ALA 46 -4.923 5.772 11.362 363 3HB ALA 46 3HB ALA 46 -5.289 4.192 12.056 364 H LEU 47 H LEU 47 -3.520 3.035 8.973 365 HA LEU 47 HA LEU 47 -3.864 0.412 9.964 366 1HB LEU 47 2HB LEU 47 -4.619 1.010 7.758 367 2HB LEU 47 1HB LEU 47 -2.992 1.449 7.274 368 HG LEU 47 HG LEU 47 -2.380 -0.999 7.704 369 1HD1 LEU 47 1HD1 LEU 47 -5.378 -1.280 7.539 370 2HD1 LEU 47 2HD1 LEU 47 -4.385 -1.593 8.963 371 3HD1 LEU 47 3HD1 LEU 47 -4.207 -2.599 7.526 372 1HD2 LEU 47 1HD2 LEU 47 -3.144 -1.657 5.483 373 2HD2 LEU 47 2HD2 LEU 47 -2.518 -0.009 5.491 374 3HD2 LEU 47 3HD2 LEU 47 -4.259 -0.290 5.459 375 H LEU 48 H LEU 48 -1.047 2.264 9.027 376 HA LEU 48 HA LEU 48 0.676 0.153 8.423 377 1HB LEU 48 2HB LEU 48 1.298 2.943 9.369 378 2HB LEU 48 1HB LEU 48 2.490 1.829 8.728 379 HG LEU 48 HG LEU 48 0.112 2.895 7.203 380 1HD1 LEU 48 1HD1 LEU 48 1.753 4.193 5.957 381 2HD1 LEU 48 2HD1 LEU 48 3.040 3.589 7.001 382 3HD1 LEU 48 3HD1 LEU 48 1.776 4.625 7.667 383 1HD2 LEU 48 1HD2 LEU 48 1.174 1.870 5.264 384 2HD2 LEU 48 2HD2 LEU 48 0.806 0.654 6.488 385 3HD2 LEU 48 3HD2 LEU 48 2.460 1.233 6.289 386 H GLU 49 H GLU 49 -0.244 1.399 11.525 387 HA GLU 49 HA GLU 49 2.063 0.463 12.926 388 1HB GLU 49 2HB GLU 49 -0.687 1.210 13.912 389 2HB GLU 49 1HB GLU 49 0.670 0.822 14.962 390 1HG GLU 49 2HG GLU 49 1.929 2.697 14.000 391 2HG GLU 49 1HG GLU 49 0.534 3.099 13.000 392 H SER 50 H SER 50 -0.645 -1.065 11.606 393 HA SER 50 HA SER 50 -0.091 -3.493 13.181 394 1HB SER 50 2HB SER 50 -2.649 -2.684 11.762 395 2HB SER 50 1HB SER 50 -2.394 -4.210 12.609 396 HG SER 50 HG SER 50 -2.478 -1.589 13.697 397 H ASP 51 H ASP 51 -1.406 -5.274 11.423 398 HA ASP 51 HA ASP 51 0.245 -5.034 9.016 399 1HB ASP 51 2HB ASP 51 -0.906 -7.482 10.362 400 2HB ASP 51 1HB ASP 51 -0.149 -7.513 8.774 401 H ASP 52 H ASP 52 -0.884 -6.420 7.161 402 HA ASP 52 HA ASP 52 -3.670 -5.478 6.977 403 1HB ASP 52 2HB ASP 52 -3.043 -5.323 4.430 404 2HB ASP 52 1HB ASP 52 -2.652 -4.008 5.530 405 HA PRO 53 HA PRO 53 -3.247 -10.115 6.176 406 1HB PRO 53 2HB PRO 53 -5.623 -10.218 7.926 407 2HB PRO 53 1HB PRO 53 -4.142 -11.176 7.988 408 1HG PRO 53 2HG PRO 53 -4.657 -9.280 9.808 409 2HG PRO 53 1HG PRO 53 -3.010 -9.591 9.230 410 1HD PRO 53 2HD PRO 53 -4.904 -7.398 8.474 411 2HD PRO 53 1HD PRO 53 -3.151 -7.328 8.755 412 H ASP 54 H ASP 54 -6.351 -8.414 6.689 413 HA ASP 54 HA ASP 54 -7.724 -9.930 4.704 414 1HB ASP 54 2HB ASP 54 -8.464 -7.245 5.891 415 2HB ASP 54 1HB ASP 54 -9.538 -8.290 4.970 416 H LEU 55 H LEU 55 -5.977 -6.928 4.734 417 HA LEU 55 HA LEU 55 -6.859 -5.977 2.208 418 1HB LEU 55 2HB LEU 55 -4.501 -5.278 3.942 419 2HB LEU 55 1HB LEU 55 -4.874 -4.440 2.455 420 HG LEU 55 HG LEU 55 -6.606 -4.559 4.918 421 1HD1 LEU 55 1HD1 LEU 55 -4.695 -3.089 5.159 422 2HD1 LEU 55 2HD1 LEU 55 -6.181 -2.150 5.012 423 3HD1 LEU 55 3HD1 LEU 55 -5.090 -2.297 3.634 424 1HD2 LEU 55 1HD2 LEU 55 -7.094 -3.213 2.266 425 2HD2 LEU 55 2HD2 LEU 55 -8.062 -2.975 3.720 426 3HD2 LEU 55 3HD2 LEU 55 -8.007 -4.559 2.946 427 H PHE 56 H PHE 56 -4.038 -7.799 3.298 428 HA PHE 56 HA PHE 56 -2.648 -8.011 0.897 429 1HB PHE 56 2HB PHE 56 -1.767 -8.805 3.042 430 2HB PHE 56 1HB PHE 56 -2.996 -10.060 3.104 431 HD1 PHE 56 1HD PHE 56 0.029 -8.927 1.323 432 HD2 PHE 56 2HD PHE 56 -2.707 -12.121 1.990 433 HE1 PHE 56 1HE PHE 56 1.557 -10.476 0.176 434 HE2 PHE 56 2HE PHE 56 -1.180 -13.669 0.844 435 HZ PHE 56 HZ PHE 56 0.953 -12.848 -0.062 436 H ALA 57 H ALA 57 -5.432 -9.766 2.112 437 HA ALA 57 HA ALA 57 -5.568 -11.666 0.010 438 1HB ALA 57 1HB ALA 57 -6.619 -12.007 2.195 439 2HB ALA 57 2HB ALA 57 -7.773 -12.183 0.872 440 3HB ALA 57 3HB ALA 57 -7.759 -10.710 1.841 441 H TRP 58 H TRP 58 -6.715 -8.361 0.332 442 HA TRP 58 HA TRP 58 -8.469 -8.402 -1.905 443 1HB TRP 58 2HB TRP 58 -7.042 -6.223 -0.423 444 2HB TRP 58 1HB TRP 58 -7.805 -5.860 -1.966 445 HD1 TRP 58 HD TRP 58 -8.885 -7.607 1.330 446 HE1 TRP 58 1HE TRP 58 -11.284 -6.866 1.860 447 HE3 TRP 58 3HE TRP 58 -9.744 -4.595 -2.726 448 HZ2 TRP 58 2HZ TRP 58 -13.280 -5.240 0.730 449 HZ3 TRP 58 3HZ TRP 58 -11.939 -3.480 -2.913 450 HH2 TRP 58 HH TRP 58 -13.665 -3.802 -1.220 451 H VAL 59 H VAL 59 -5.023 -7.896 -1.513 452 HA VAL 59 HA VAL 59 -4.459 -7.140 -4.185 453 HB VAL 59 HB VAL 59 -2.618 -8.553 -2.243 454 1HG1 VAL 59 1HG1 VAL 59 -0.823 -7.454 -3.523 455 2HG1 VAL 59 2HG1 VAL 59 -2.028 -6.832 -4.650 456 3HG1 VAL 59 3HG1 VAL 59 -1.760 -8.570 -4.517 457 1HG2 VAL 59 1HG2 VAL 59 -3.083 -5.603 -2.653 458 2HG2 VAL 59 2HG2 VAL 59 -1.841 -6.315 -1.623 459 3HG2 VAL 59 3HG2 VAL 59 -3.547 -6.543 -1.234 460 H MET 60 H MET 60 -4.881 -10.212 -2.587 461 HA MET 60 HA MET 60 -4.005 -11.719 -4.913 462 1HB MET 60 2HB MET 60 -5.102 -12.610 -2.242 463 2HB MET 60 1HB MET 60 -4.594 -13.707 -3.519 464 1HG MET 60 2HG MET 60 -2.822 -11.706 -2.133 465 2HG MET 60 1HG MET 60 -2.891 -13.433 -1.782 466 1HE MET 60 1HE MET 60 -1.601 -14.959 -5.173 467 2HE MET 60 2HE MET 60 -3.273 -14.600 -4.743 468 3HE MET 60 3HE MET 60 -2.193 -15.318 -3.549 469 H GLY 61 H GLY 61 -6.841 -10.280 -3.819 470 1HA GLY 61 2HA GLY 61 -8.859 -10.141 -4.961 471 2HA GLY 61 1HA GLY 61 -8.321 -11.441 -6.012 472 H HIS 62 H HIS 62 -8.690 -11.322 -2.478 473 HA HIS 62 HA HIS 62 -11.076 -12.889 -2.447 474 1HB HIS 62 2HB HIS 62 -9.061 -14.483 -3.072 475 2HB HIS 62 1HB HIS 62 -8.725 -14.393 -1.350 476 HD1 HIS 62 1HD HIS 62 -10.030 -16.750 -3.385 477 HD2 HIS 62 2HD HIS 62 -11.703 -14.769 -0.130 478 HE1 HIS 62 1HE HIS 62 -11.874 -18.245 -2.550 479 HE2 HIS 62 2HE HIS 62 -12.702 -17.134 -0.441 480 H GLY 63 H GLY 63 -10.571 -10.517 -1.229 481 1HA GLY 63 2HA GLY 63 -10.011 -11.257 1.581 482 2HA GLY 63 1HA GLY 63 -9.509 -9.728 0.882 483 H ARG 64 H ARG 64 -10.774 -9.340 3.060 484 HA ARG 64 HA ARG 64 -13.387 -8.348 2.213 485 1HB ARG 64 2HB ARG 64 -14.349 -8.999 4.436 486 2HB ARG 64 1HB ARG 64 -13.994 -10.346 3.368 487 1HG ARG 64 2HG ARG 64 -12.005 -10.876 4.613 488 2HG ARG 64 1HG ARG 64 -12.214 -9.444 5.622 489 1HD ARG 64 2HD ARG 64 -14.256 -10.343 6.544 490 2HD ARG 64 1HD ARG 64 -14.181 -11.723 5.449 491 HE ARG 64 HE ARG 64 -11.938 -12.130 6.687 492 1HH1 ARG 64 1HH1 ARG 64 -14.895 -10.922 8.118 493 2HH1 ARG 64 2HH1 ARG 64 -14.558 -11.578 9.687 494 1HH2 ARG 64 1HH2 ARG 64 -11.506 -13.027 8.740 495 2HH2 ARG 64 2HH2 ARG 64 -12.638 -12.796 10.039 496 H CYS 65 H CYS 65 -13.525 -6.257 2.610 497 HA CYS 65 HA CYS 65 -12.324 -5.154 5.030 498 1HB CYS 65 2HB CYS 65 -10.618 -4.849 3.264 499 2HB CYS 65 1HB CYS 65 -11.804 -4.014 2.269 500 HG CYS 65 HG CYS 65 -11.459 -2.630 5.289 501 H GLU 66 H GLU 66 -14.019 -4.306 6.000 502 HA GLU 66 HA GLU 66 -16.355 -3.600 4.477 503 1HB GLU 66 2HB GLU 66 -15.794 -3.585 7.436 504 2HB GLU 66 1HB GLU 66 -17.352 -3.167 6.730 505 1HG GLU 66 2HG GLU 66 -15.932 -5.814 6.543 506 2HG GLU 66 1HG GLU 66 -17.403 -5.453 7.448 507 H ASN 67 H ASN 67 -13.831 -1.869 6.201 508 HA ASN 67 HA ASN 67 -15.229 0.641 5.814 509 1HB ASN 67 2HB ASN 67 -13.214 1.656 6.899 510 2HB ASN 67 1HB ASN 67 -14.060 0.487 7.900 511 1HD2 ASN 67 1HD2 ASN 67 -11.325 1.470 8.031 512 2HD2 ASN 67 2HD2 ASN 67 -10.313 0.071 7.931 513 H LEU 68 H LEU 68 -15.328 1.106 3.735 514 HA LEU 68 HA LEU 68 -13.350 0.371 1.864 515 1HB LEU 68 2HB LEU 68 -15.704 2.224 1.658 516 2HB LEU 68 1HB LEU 68 -14.641 1.881 0.312 517 HG LEU 68 HG LEU 68 -16.512 -0.002 1.729 518 1HD1 LEU 68 1HD1 LEU 68 -16.173 0.737 -1.172 519 2HD1 LEU 68 2HD1 LEU 68 -17.426 1.349 -0.090 520 3HD1 LEU 68 3HD1 LEU 68 -17.382 -0.364 -0.511 521 1HD2 LEU 68 1HD2 LEU 68 -14.326 -0.738 -0.216 522 2HD2 LEU 68 2HD2 LEU 68 -15.591 -1.818 0.369 523 3HD2 LEU 68 3HD2 LEU 68 -14.392 -1.176 1.491 524 H GLY 69 H GLY 69 -13.410 2.923 4.026 525 1HA GLY 69 2HA GLY 69 -11.900 4.863 2.673 526 2HA GLY 69 1HA GLY 69 -11.835 4.559 4.406 527 H LEU 70 H LEU 70 -10.909 1.951 4.429 528 HA LEU 70 HA LEU 70 -8.135 2.237 3.842 529 1HB LEU 70 2HB LEU 70 -9.861 -0.001 4.858 530 2HB LEU 70 1HB LEU 70 -8.217 -0.338 4.334 531 HG LEU 70 HG LEU 70 -9.071 1.466 6.596 532 1HD1 LEU 70 1HD1 LEU 70 -7.843 -0.102 7.972 533 2HD1 LEU 70 2HD1 LEU 70 -7.376 -1.029 6.547 534 3HD1 LEU 70 3HD1 LEU 70 -9.068 -0.960 7.038 535 1HD2 LEU 70 1HD2 LEU 70 -6.297 0.990 5.505 536 2HD2 LEU 70 2HD2 LEU 70 -6.694 1.886 6.971 537 3HD2 LEU 70 3HD2 LEU 70 -7.208 2.498 5.399 538 H ALA 71 H ALA 71 -10.748 0.288 2.453 539 HA ALA 71 HA ALA 71 -9.223 -1.036 0.518 540 1HB ALA 71 1HB ALA 71 -11.465 -1.741 1.192 541 2HB ALA 71 2HB ALA 71 -11.344 -1.565 -0.558 542 3HB ALA 71 3HB ALA 71 -12.155 -0.324 0.401 543 H ALA 72 H ALA 72 -10.556 2.180 0.556 544 HA ALA 72 HA ALA 72 -10.607 2.766 -2.176 545 1HB ALA 72 1HB ALA 72 -10.496 5.107 -1.514 546 2HB ALA 72 2HB ALA 72 -9.981 4.637 0.107 547 3HB ALA 72 3HB ALA 72 -11.594 4.211 -0.464 548 H MET 73 H MET 73 -7.973 3.236 0.192 549 HA MET 73 HA MET 73 -6.224 4.258 -1.821 550 1HB MET 73 2HB MET 73 -4.481 4.200 -0.109 551 2HB MET 73 1HB MET 73 -5.945 4.960 0.486 552 1HG MET 73 2HG MET 73 -5.267 3.676 2.270 553 2HG MET 73 1HG MET 73 -6.462 2.641 1.490 554 1HE MET 73 1HE MET 73 -5.475 0.601 2.912 555 2HE MET 73 2HE MET 73 -4.259 1.667 3.621 556 3HE MET 73 3HE MET 73 -3.774 0.137 2.890 557 H VAL 74 H VAL 74 -6.907 1.098 -0.507 558 HA VAL 74 HA VAL 74 -4.698 -0.293 -1.589 559 HB VAL 74 HB VAL 74 -7.515 -1.304 -1.115 560 1HG1 VAL 74 1HG1 VAL 74 -6.504 -3.536 -1.080 561 2HG1 VAL 74 2HG1 VAL 74 -4.941 -2.836 -1.502 562 3HG1 VAL 74 3HG1 VAL 74 -6.282 -2.752 -2.644 563 1HG2 VAL 74 1HG2 VAL 74 -5.063 -1.441 0.633 564 2HG2 VAL 74 2HG2 VAL 74 -6.632 -2.163 0.989 565 3HG2 VAL 74 3HG2 VAL 74 -6.469 -0.410 0.897 566 H ASP 75 H ASP 75 -7.934 0.394 -2.855 567 HA ASP 75 HA ASP 75 -7.734 -0.853 -5.344 568 1HB ASP 75 2HB ASP 75 -9.848 0.008 -4.500 569 2HB ASP 75 1HB ASP 75 -9.236 1.655 -4.544 570 H LYS 76 H LYS 76 -6.771 2.377 -4.322 571 HA LYS 76 HA LYS 76 -5.945 3.309 -6.853 572 1HB LYS 76 2HB LYS 76 -5.097 4.183 -4.079 573 2HB LYS 76 1HB LYS 76 -4.790 5.083 -5.563 574 1HG LYS 76 2HG LYS 76 -7.131 5.414 -5.930 575 2HG LYS 76 1HG LYS 76 -7.537 4.341 -4.600 576 1HD LYS 76 2HD LYS 76 -7.851 6.603 -3.887 577 2HD LYS 76 1HD LYS 76 -6.456 5.931 -3.043 578 1HE LYS 76 2HE LYS 76 -4.948 7.155 -4.338 579 2HE LYS 76 1HE LYS 76 -6.157 7.530 -5.565 580 1HZ LYS 76 1HZ LYS 76 -6.393 8.522 -2.774 581 2HZ LYS 76 2HZ LYS 76 -7.200 9.073 -4.159 582 3HZ LYS 76 3HZ LYS 76 -5.548 9.381 -3.966 583 H ILE 77 H ILE 77 -4.288 1.516 -4.315 584 HA ILE 77 HA ILE 77 -1.707 1.577 -5.510 585 HB ILE 77 HB ILE 77 -2.903 -0.496 -3.659 586 1HG1 ILE 77 2HG1 ILE 77 -1.127 1.876 -3.046 587 2HG1 ILE 77 1HG1 ILE 77 -2.848 1.786 -2.709 588 1HG2 ILE 77 1HG2 ILE 77 -0.024 0.025 -4.388 589 2HG2 ILE 77 2HG2 ILE 77 -0.983 -1.382 -4.851 590 3HG2 ILE 77 3HG2 ILE 77 -0.581 -1.107 -3.156 591 1HD1 ILE 77 1HD1 ILE 77 -0.724 0.043 -1.491 592 2HD1 ILE 77 2HD1 ILE 77 -2.453 -0.069 -1.166 593 3HD1 ILE 77 3HD1 ILE 77 -1.559 1.381 -0.702 594 H VAL 78 H VAL 78 -4.381 -0.757 -5.598 595 HA VAL 78 HA VAL 78 -3.130 -2.728 -7.144 596 HB VAL 78 HB VAL 78 -6.073 -2.048 -6.959 597 1HG1 VAL 78 1HG1 VAL 78 -4.747 -4.554 -8.006 598 2HG1 VAL 78 2HG1 VAL 78 -5.627 -3.368 -8.969 599 3HG1 VAL 78 3HG1 VAL 78 -6.478 -4.332 -7.761 600 1HG2 VAL 78 1HG2 VAL 78 -5.067 -2.623 -4.815 601 2HG2 VAL 78 2HG2 VAL 78 -4.393 -4.096 -5.509 602 3HG2 VAL 78 3HG2 VAL 78 -6.141 -3.912 -5.359 603 H ALA 79 H ALA 79 -4.974 0.123 -8.135 604 HA ALA 79 HA ALA 79 -5.215 -0.416 -10.855 605 1HB ALA 79 1HB ALA 79 -4.796 2.274 -9.557 606 2HB ALA 79 2HB ALA 79 -6.344 1.446 -9.737 607 3HB ALA 79 3HB ALA 79 -5.459 1.985 -11.164 608 H HIS 80 H HIS 80 -2.507 0.980 -9.072 609 HA HIS 80 HA HIS 80 -0.933 1.533 -11.389 610 1HB HIS 80 2HB HIS 80 -0.693 2.619 -9.098 611 2HB HIS 80 1HB HIS 80 0.112 1.143 -8.583 612 HD1 HIS 80 1HD HIS 80 0.615 4.265 -10.520 613 HD2 HIS 80 2HD HIS 80 2.681 0.741 -9.713 614 HE1 HIS 80 1HE HIS 80 2.992 4.692 -11.225 615 HE2 HIS 80 2HE HIS 80 4.260 2.622 -10.543 616 H ASN 81 H ASN 81 -1.246 -1.183 -9.190 617 HA ASN 81 HA ASN 81 1.009 -2.651 -10.119 618 1HB ASN 81 2HB ASN 81 -0.074 -3.070 -7.936 619 2HB ASN 81 1HB ASN 81 -1.507 -3.656 -8.769 620 1HD2 ASN 81 1HD2 ASN 81 -1.386 -5.672 -7.845 621 2HD2 ASN 81 2HD2 ASN 81 -0.176 -6.826 -8.270 622 H LEU 82 H LEU 82 -2.350 -2.484 -11.121 623 HA LEU 82 HA LEU 82 -2.542 -4.772 -12.648 624 1HB LEU 82 2HB LEU 82 -3.820 -2.070 -12.970 625 2HB LEU 82 1HB LEU 82 -4.271 -3.463 -13.919 626 HG LEU 82 HG LEU 82 -4.496 -3.247 -10.920 627 1HD1 LEU 82 1HD1 LEU 82 -6.127 -1.852 -12.041 628 2HD1 LEU 82 2HD1 LEU 82 -6.915 -3.268 -11.346 629 3HD1 LEU 82 3HD1 LEU 82 -6.600 -3.197 -13.079 630 1HD2 LEU 82 1HD2 LEU 82 -5.669 -5.370 -11.042 631 2HD2 LEU 82 2HD2 LEU 82 -4.032 -5.533 -11.679 632 3HD2 LEU 82 3HD2 LEU 82 -5.404 -5.439 -12.784 633 H SER 83 H SER 83 -1.035 -1.693 -13.480 634 HA SER 83 HA SER 83 -0.852 -2.310 -16.263 635 1HB SER 83 2HB SER 83 0.687 -0.348 -16.364 636 2HB SER 83 1HB SER 83 -0.854 0.018 -15.592 637 HG SER 83 HG SER 83 0.197 0.548 -13.867 638 H LYS 84 H LYS 84 1.214 -2.803 -13.475 639 HA LYS 84 HA LYS 84 3.492 -3.683 -14.839 640 1HB LYS 84 2HB LYS 84 3.678 -3.133 -12.531 641 2HB LYS 84 1HB LYS 84 2.344 -4.193 -12.097 642 1HG LYS 84 2HG LYS 84 3.666 -6.124 -12.621 643 2HG LYS 84 1HG LYS 84 4.980 -5.089 -13.163 644 1HD LYS 84 2HD LYS 84 3.873 -5.079 -10.361 645 2HD LYS 84 1HD LYS 84 5.282 -6.018 -10.857 646 1HE LYS 84 2HE LYS 84 5.029 -3.024 -11.096 647 2HE LYS 84 1HE LYS 84 5.868 -3.864 -9.792 648 1HZ LYS 84 1HZ LYS 84 7.396 -3.109 -11.511 649 2HZ LYS 84 2HZ LYS 84 6.573 -4.027 -12.678 650 3HZ LYS 84 3HZ LYS 84 7.389 -4.804 -11.412 651 H VAL 85 H VAL 85 0.575 -5.266 -13.665 652 HA VAL 85 HA VAL 85 1.380 -7.929 -14.220 653 HB VAL 85 HB VAL 85 -1.428 -6.818 -14.023 654 1HG1 VAL 85 1HG1 VAL 85 -0.417 -9.647 -13.762 655 2HG1 VAL 85 2HG1 VAL 85 -1.398 -9.003 -15.077 656 3HG1 VAL 85 3HG1 VAL 85 -2.069 -9.114 -13.450 657 1HG2 VAL 85 1HG2 VAL 85 -1.342 -7.582 -11.691 658 2HG2 VAL 85 2HG2 VAL 85 -0.146 -6.330 -12.024 659 3HG2 VAL 85 3HG2 VAL 85 0.355 -8.016 -11.905 660 H ARG 86 H ARG 86 -0.490 -5.559 -16.069 661 HA ARG 86 HA ARG 86 -1.027 -7.342 -18.235 662 1HB ARG 86 2HB ARG 86 -1.869 -5.374 -19.398 663 2HB ARG 86 1HB ARG 86 -2.447 -5.413 -17.741 664 1HG ARG 86 2HG ARG 86 -0.897 -3.731 -17.077 665 2HG ARG 86 1HG ARG 86 -0.119 -3.767 -18.661 666 1HD ARG 86 2HD ARG 86 -3.017 -3.068 -18.259 667 2HD ARG 86 1HD ARG 86 -1.727 -1.865 -18.275 668 HE ARG 86 HE ARG 86 -1.287 -3.136 -20.584 669 1HH1 ARG 86 1HH1 ARG 86 -4.290 -1.986 -19.183 670 2HH1 ARG 86 2HH1 ARG 86 -4.984 -1.550 -20.720 671 1HH2 ARG 86 1HH2 ARG 86 -2.200 -2.580 -22.592 672 2HH2 ARG 86 2HH2 ARG 86 -3.805 -1.921 -22.658 673 H LEU 87 H LEU 87 1.595 -5.284 -17.387 674 HA LEU 87 HA LEU 87 2.704 -5.049 -20.025 675 1HB LEU 87 2HB LEU 87 3.051 -3.658 -17.738 676 2HB LEU 87 1HB LEU 87 4.457 -4.700 -17.663 677 HG LEU 87 HG LEU 87 3.794 -2.810 -19.923 678 1HD1 LEU 87 1HD1 LEU 87 5.758 -1.570 -19.107 679 2HD1 LEU 87 2HD1 LEU 87 5.842 -2.660 -17.722 680 3HD1 LEU 87 3HD1 LEU 87 4.439 -1.612 -17.938 681 1HD2 LEU 87 1HD2 LEU 87 6.039 -3.337 -20.745 682 2HD2 LEU 87 2HD2 LEU 87 5.007 -4.767 -20.720 683 3HD2 LEU 87 3HD2 LEU 87 6.225 -4.536 -19.466 684 H GLU 88 H GLU 88 4.276 -6.482 -17.154 685 HA GLU 88 HA GLU 88 5.242 -8.644 -18.913 686 1HB GLU 88 2HB GLU 88 6.791 -7.179 -16.772 687 2HB GLU 88 1HB GLU 88 7.356 -8.628 -17.588 688 1HG GLU 88 2HG GLU 88 7.190 -7.375 -19.746 689 2HG GLU 88 1HG GLU 88 6.860 -5.924 -18.798 690 H HIS 89 H HIS 89 3.050 -8.332 -16.830 691 HA HIS 89 HA HIS 89 1.972 -9.700 -15.384 692 1HB HIS 89 2HB HIS 89 4.246 -11.655 -15.828 693 2HB HIS 89 1HB HIS 89 2.712 -12.017 -15.046 694 HD1 HIS 89 1HD HIS 89 0.576 -12.070 -16.615 695 HD2 HIS 89 2HD HIS 89 4.226 -11.725 -18.578 696 HE1 HIS 89 1HE HIS 89 0.105 -12.594 -19.028 697 HE2 HIS 89 2HE HIS 89 2.288 -12.194 -20.222 698 H HIS 90 H HIS 90 3.089 -11.429 -13.383 699 HA HIS 90 HA HIS 90 4.777 -9.649 -11.800 700 1HB HIS 90 2HB HIS 90 3.238 -9.650 -9.898 701 2HB HIS 90 1HB HIS 90 2.450 -8.950 -11.306 702 HD1 HIS 90 1HD HIS 90 0.378 -10.135 -12.202 703 HD2 HIS 90 2HD HIS 90 2.236 -12.209 -9.128 704 HE1 HIS 90 1HE HIS 90 -1.220 -11.955 -11.563 705 HE2 HIS 90 2HE HIS 90 0.074 -13.369 -9.932 706 H HIS 91 H HIS 91 5.411 -10.738 -9.689 707 HA HIS 91 HA HIS 91 5.237 -13.667 -9.919 708 1HB HIS 91 2HB HIS 91 7.672 -11.982 -9.557 709 2HB HIS 91 1HB HIS 91 7.604 -13.546 -8.745 710 HD1 HIS 91 1HD HIS 91 8.365 -15.470 -10.097 711 HD2 HIS 91 2HD HIS 91 7.136 -12.290 -12.474 712 HE1 HIS 91 1HE HIS 91 8.813 -16.180 -12.466 713 HE2 HIS 91 2HE HIS 91 7.806 -14.352 -13.879 714 H HIS 92 H HIS 92 4.333 -14.550 -8.306 715 HA HIS 92 HA HIS 92 4.835 -14.231 -5.601 716 1HB HIS 92 2HB HIS 92 3.672 -11.971 -6.092 717 2HB HIS 92 1HB HIS 92 2.207 -12.915 -6.330 718 HD1 HIS 92 1HD HIS 92 0.808 -12.597 -4.324 719 HD2 HIS 92 2HD HIS 92 4.821 -13.059 -3.353 720 HE1 HIS 92 1HE HIS 92 0.906 -12.513 -1.822 721 HE2 HIS 92 2HE HIS 92 3.363 -12.569 -1.270 722 H HIS 93 H HIS 93 1.792 -14.361 -7.377 723 HA HIS 93 HA HIS 93 1.961 -17.254 -7.587 724 1HB HIS 93 2HB HIS 93 -0.214 -15.779 -6.155 725 2HB HIS 93 1HB HIS 93 -0.687 -17.120 -7.188 726 HD1 HIS 93 1HD HIS 93 2.375 -18.303 -6.020 727 HD2 HIS 93 2HD HIS 93 -1.299 -17.693 -4.162 728 HE1 HIS 93 1HE HIS 93 2.382 -19.789 -3.995 729 HE2 HIS 93 2HE HIS 93 0.121 -19.479 -2.934 730 H HIS 94 H HIS 94 1.499 -17.804 -9.638 731 HA HIS 94 HA HIS 94 1.131 -17.569 -11.858 732 1HB HIS 94 2HB HIS 94 -0.900 -15.591 -10.857 733 2HB HIS 94 1HB HIS 94 -0.571 -15.742 -12.579 734 HD1 HIS 94 1HD HIS 94 -1.480 -17.784 -13.784 735 HD2 HIS 94 2HD HIS 94 -2.178 -17.817 -9.684 736 HE1 HIS 94 1HE HIS 94 -3.100 -19.672 -13.383 737 HE2 HIS 94 2HE HIS 94 -3.355 -19.786 -10.878 Start of MODEL 2 1 1H MET 1 1HT MET 1 0.177 14.769 4.752 2 2H MET 1 2HT MET 1 -0.681 16.098 5.357 3 3H MET 1 3HT MET 1 -0.142 14.882 6.413 4 HA MET 1 HA MET 1 1.637 16.630 4.813 5 1HB MET 1 2HB MET 1 0.952 16.738 7.763 6 2HB MET 1 1HB MET 1 2.190 17.702 6.969 7 1HG MET 1 2HG MET 1 0.471 18.780 5.601 8 2HG MET 1 1HG MET 1 -0.763 17.809 6.404 9 1HE MET 1 1HE MET 1 -1.019 20.927 6.240 10 2HE MET 1 2HE MET 1 -1.487 21.322 7.891 11 3HE MET 1 3HE MET 1 -2.171 19.901 7.099 12 H TYR 2 H TYR 2 3.271 15.294 4.287 13 HA TYR 2 HA TYR 2 4.502 13.767 6.463 14 1HB TYR 2 2HB TYR 2 3.812 12.585 3.760 15 2HB TYR 2 1HB TYR 2 4.745 11.780 5.018 16 HD1 TYR 2 2HD TYR 2 3.557 11.496 7.317 17 HD2 TYR 2 1HD TYR 2 1.514 12.302 3.678 18 HE1 TYR 2 2HE TYR 2 1.470 10.657 8.308 19 HE2 TYR 2 1HE TYR 2 -0.577 11.465 4.659 20 HH TYR 2 HH TYR 2 -1.249 9.899 6.524 21 H THR 3 H THR 3 6.528 14.327 6.591 22 HA THR 3 HA THR 3 7.966 15.295 4.235 23 HB THR 3 HB THR 3 9.687 15.992 5.915 24 HG1 THR 3 1HG THR 3 8.163 15.902 8.116 25 1HG2 THR 3 1HG2 THR 3 8.403 17.845 6.851 26 2HG2 THR 3 2HG2 THR 3 6.897 17.010 6.470 27 3HG2 THR 3 3HG2 THR 3 7.953 17.565 5.170 28 H ALA 4 H ALA 4 10.518 14.699 4.716 29 HA ALA 4 HA ALA 4 10.839 11.966 4.153 30 1HB ALA 4 1HB ALA 4 12.505 13.659 3.553 31 2HB ALA 4 2HB ALA 4 13.229 12.352 4.492 32 3HB ALA 4 3HB ALA 4 12.877 13.899 5.260 33 H GLU 5 H GLU 5 10.758 13.734 7.158 34 HA GLU 5 HA GLU 5 11.777 11.654 8.811 35 1HB GLU 5 2HB GLU 5 10.052 14.043 9.475 36 2HB GLU 5 1HB GLU 5 10.853 13.020 10.655 37 1HG GLU 5 2HG GLU 5 13.014 13.677 9.810 38 2HG GLU 5 1HG GLU 5 12.249 14.635 8.545 39 H GLN 6 H GLN 6 8.550 12.743 7.883 40 HA GLN 6 HA GLN 6 7.138 10.813 9.424 41 1HB GLN 6 2HB GLN 6 6.294 12.360 6.963 42 2HB GLN 6 1HB GLN 6 5.212 11.404 7.966 43 1HG GLN 6 2HG GLN 6 6.809 13.741 8.982 44 2HG GLN 6 1HG GLN 6 5.153 13.857 8.390 45 1HE2 GLN 6 1HE2 GLN 6 4.390 14.561 10.354 46 2HE2 GLN 6 2HE2 GLN 6 4.228 13.516 11.725 47 H LYS 7 H LYS 7 8.507 10.869 6.204 48 HA LYS 7 HA LYS 7 7.345 8.491 5.255 49 1HB LYS 7 2HB LYS 7 8.543 10.310 3.936 50 2HB LYS 7 1HB LYS 7 10.048 9.593 4.489 51 1HG LYS 7 2HG LYS 7 9.559 7.551 3.365 52 2HG LYS 7 1HG LYS 7 7.946 8.115 2.935 53 1HD LYS 7 2HD LYS 7 9.028 9.972 1.656 54 2HD LYS 7 1HD LYS 7 10.583 9.196 1.957 55 1HE LYS 7 2HE LYS 7 9.860 7.213 0.769 56 2HE LYS 7 1HE LYS 7 8.252 7.901 0.548 57 1HZ LYS 7 1HZ LYS 7 9.339 9.729 -0.712 58 2HZ LYS 7 2HZ LYS 7 9.456 8.211 -1.460 59 3HZ LYS 7 3HZ LYS 7 10.795 8.859 -0.640 60 H ALA 8 H ALA 8 10.160 9.201 7.210 61 HA ALA 8 HA ALA 8 11.400 6.675 7.090 62 1HB ALA 8 1HB ALA 8 12.533 8.708 7.885 63 2HB ALA 8 2HB ALA 8 12.661 7.379 9.039 64 3HB ALA 8 3HB ALA 8 11.521 8.693 9.331 65 H ARG 9 H ARG 9 8.943 7.968 9.325 66 HA ARG 9 HA ARG 9 8.969 5.661 10.993 67 1HB ARG 9 2HB ARG 9 6.970 6.523 12.029 68 2HB ARG 9 1HB ARG 9 8.096 7.844 11.771 69 1HG ARG 9 2HG ARG 9 6.823 8.563 9.827 70 2HG ARG 9 1HG ARG 9 5.702 7.221 10.057 71 1HD ARG 9 2HD ARG 9 6.207 9.449 12.027 72 2HD ARG 9 1HD ARG 9 4.816 9.330 10.952 73 HE ARG 9 HE ARG 9 4.925 6.975 12.431 74 1HH1 ARG 9 1HH1 ARG 9 4.412 10.396 12.973 75 2HH1 ARG 9 2HH1 ARG 9 3.439 10.163 14.392 76 1HH2 ARG 9 1HH2 ARG 9 3.638 6.658 14.293 77 2HH2 ARG 9 2HH2 ARG 9 2.980 8.029 15.137 78 H ILE 10 H ILE 10 7.343 6.512 8.044 79 HA ILE 10 HA ILE 10 5.472 4.347 8.083 80 HB ILE 10 HB ILE 10 6.479 6.015 5.768 81 1HG1 ILE 10 2HG1 ILE 10 3.908 6.185 7.361 82 2HG1 ILE 10 1HG1 ILE 10 5.280 7.279 7.522 83 1HG2 ILE 10 1HG2 ILE 10 5.621 3.892 4.958 84 2HG2 ILE 10 2HG2 ILE 10 4.499 5.193 4.557 85 3HG2 ILE 10 3HG2 ILE 10 4.146 4.106 5.900 86 1HD1 ILE 10 1HD1 ILE 10 4.953 8.052 5.252 87 2HD1 ILE 10 2HD1 ILE 10 3.468 8.234 6.187 88 3HD1 ILE 10 3HD1 ILE 10 3.630 6.908 5.034 89 H LYS 11 H LYS 11 8.596 4.896 6.443 90 HA LYS 11 HA LYS 11 8.661 2.439 5.083 91 1HB LYS 11 2HB LYS 11 11.060 2.872 4.763 92 2HB LYS 11 1HB LYS 11 10.094 4.299 4.431 93 1HG LYS 11 2HG LYS 11 10.659 5.117 6.709 94 2HG LYS 11 1HG LYS 11 11.748 3.740 6.874 95 1HD LYS 11 2HD LYS 11 11.934 5.821 4.701 96 2HD LYS 11 1HD LYS 11 12.881 5.838 6.187 97 1HE LYS 11 2HE LYS 11 13.778 3.602 5.559 98 2HE LYS 11 1HE LYS 11 12.938 3.751 4.016 99 1HZ LYS 11 1HZ LYS 11 15.027 5.603 5.033 100 2HZ LYS 11 2HZ LYS 11 14.219 5.744 3.550 101 3HZ LYS 11 3HZ LYS 11 15.247 4.427 3.829 102 H TRP 12 H TRP 12 9.768 3.318 8.324 103 HA TRP 12 HA TRP 12 10.998 0.796 8.814 104 1HB TRP 12 2HB TRP 12 10.255 3.117 10.542 105 2HB TRP 12 1HB TRP 12 10.697 1.589 11.286 106 HD1 TRP 12 HD TRP 12 12.238 3.989 8.631 107 HE1 TRP 12 1HE TRP 12 14.791 3.992 8.985 108 HE3 TRP 12 3HE TRP 12 12.500 0.627 12.437 109 HZ2 TRP 12 2HZ TRP 12 16.664 2.732 10.684 110 HZ3 TRP 12 3HZ TRP 12 14.707 0.069 13.389 111 HH2 TRP 12 HH TRP 12 16.747 1.105 12.525 112 H ALA 13 H ALA 13 7.742 1.877 8.868 113 HA ALA 13 HA ALA 13 6.803 -0.170 10.663 114 1HB ALA 13 1HB ALA 13 5.255 1.647 8.819 115 2HB ALA 13 2HB ALA 13 5.646 1.980 10.507 116 3HB ALA 13 3HB ALA 13 4.574 0.641 10.098 117 H CYS 14 H CYS 14 6.600 0.433 7.154 118 HA CYS 14 HA CYS 14 5.270 -2.045 6.640 119 1HB CYS 14 2HB CYS 14 5.721 -1.491 4.247 120 2HB CYS 14 1HB CYS 14 4.913 -0.203 5.134 121 HG CYS 14 HG CYS 14 8.016 -0.266 3.790 122 H ARG 15 H ARG 15 8.592 -0.883 6.201 123 HA ARG 15 HA ARG 15 9.493 -3.473 5.298 124 1HB ARG 15 2HB ARG 15 10.432 -1.254 4.507 125 2HB ARG 15 1HB ARG 15 11.167 -1.084 6.092 126 1HG ARG 15 2HG ARG 15 12.619 -2.899 5.730 127 2HG ARG 15 1HG ARG 15 11.704 -3.447 4.323 128 1HD ARG 15 2HD ARG 15 13.240 -0.857 4.508 129 2HD ARG 15 1HD ARG 15 13.795 -2.319 3.690 130 HE ARG 15 HE ARG 15 11.243 -1.522 2.717 131 1HH1 ARG 15 1HH1 ARG 15 14.643 -0.638 2.553 132 2HH1 ARG 15 2HH1 ARG 15 14.511 0.013 0.944 133 1HH2 ARG 15 1HH2 ARG 15 11.089 -0.684 0.617 134 2HH2 ARG 15 2HH2 ARG 15 12.500 -0.003 -0.144 135 H ARG 16 H ARG 16 11.534 -4.354 6.502 136 HA ARG 16 HA ARG 16 12.342 -5.442 8.319 137 1HB ARG 16 2HB ARG 16 10.914 -3.273 9.868 138 2HB ARG 16 1HB ARG 16 11.806 -4.569 10.645 139 1HG ARG 16 2HG ARG 16 13.302 -2.798 10.623 140 2HG ARG 16 1HG ARG 16 13.803 -3.775 9.244 141 1HD ARG 16 2HD ARG 16 12.554 -2.279 7.750 142 2HD ARG 16 1HD ARG 16 12.087 -1.299 9.139 143 HE ARG 16 HE ARG 16 14.876 -1.490 9.127 144 1HH1 ARG 16 1HH1 ARG 16 12.328 -0.090 7.156 145 2HH1 ARG 16 2HH1 ARG 16 13.334 1.184 6.546 146 1HH2 ARG 16 1HH2 ARG 16 16.186 0.194 8.331 147 2HH2 ARG 16 2HH2 ARG 16 15.522 1.360 7.224 148 H GLY 17 H GLY 17 9.007 -4.392 9.027 149 1HA GLY 17 2HA GLY 17 8.251 -6.890 10.177 150 2HA GLY 17 1HA GLY 17 7.165 -5.602 9.672 151 H MET 18 H MET 18 7.328 -5.366 7.076 152 HA MET 18 HA MET 18 6.816 -8.085 6.057 153 1HB MET 18 2HB MET 18 5.500 -5.481 5.278 154 2HB MET 18 1HB MET 18 5.254 -7.009 4.447 155 1HG MET 18 2HG MET 18 4.551 -6.401 7.302 156 2HG MET 18 1HG MET 18 3.428 -6.550 5.952 157 1HE MET 18 1HE MET 18 1.999 -8.252 7.348 158 2HE MET 18 2HE MET 18 3.125 -8.153 8.701 159 3HE MET 18 3HE MET 18 2.637 -9.727 8.072 160 H LEU 19 H LEU 19 8.724 -8.562 5.079 161 HA LEU 19 HA LEU 19 10.084 -6.619 3.436 162 1HB LEU 19 2HB LEU 19 10.593 -9.539 3.984 163 2HB LEU 19 1HB LEU 19 11.610 -8.545 2.965 164 HG LEU 19 HG LEU 19 11.129 -8.169 5.918 165 1HD1 LEU 19 1HD1 LEU 19 12.595 -10.045 5.364 166 2HD1 LEU 19 2HD1 LEU 19 13.482 -8.736 6.143 167 3HD1 LEU 19 3HD1 LEU 19 13.606 -8.970 4.398 168 1HD2 LEU 19 1HD2 LEU 19 12.833 -6.562 4.016 169 2HD2 LEU 19 2HD2 LEU 19 12.813 -6.389 5.770 170 3HD2 LEU 19 3HD2 LEU 19 11.369 -6.010 4.831 171 H GLU 20 H GLU 20 7.836 -9.221 3.025 172 HA GLU 20 HA GLU 20 8.197 -9.421 0.171 173 1HB GLU 20 2HB GLU 20 5.981 -10.467 1.946 174 2HB GLU 20 1HB GLU 20 6.196 -10.871 0.248 175 1HG GLU 20 2HG GLU 20 8.371 -11.885 0.793 176 2HG GLU 20 1HG GLU 20 8.088 -11.527 2.496 177 H LEU 21 H LEU 21 6.177 -7.610 2.357 178 HA LEU 21 HA LEU 21 4.363 -6.855 0.202 179 1HB LEU 21 2HB LEU 21 4.254 -6.287 3.159 180 2HB LEU 21 1HB LEU 21 3.044 -5.770 2.008 181 HG LEU 21 HG LEU 21 3.727 -8.631 2.688 182 1HD1 LEU 21 1HD1 LEU 21 2.512 -7.511 4.467 183 2HD1 LEU 21 2HD1 LEU 21 1.472 -8.676 3.648 184 3HD1 LEU 21 3HD1 LEU 21 1.300 -6.954 3.313 185 1HD2 LEU 21 1HD2 LEU 21 1.817 -9.210 1.274 186 2HD2 LEU 21 2HD2 LEU 21 3.083 -8.405 0.348 187 3HD2 LEU 21 3HD2 LEU 21 1.635 -7.516 0.821 188 H ASP 22 H ASP 22 7.183 -5.654 1.581 189 HA ASP 22 HA ASP 22 6.750 -2.905 1.724 190 1HB ASP 22 2HB ASP 22 8.842 -4.045 2.438 191 2HB ASP 22 1HB ASP 22 9.256 -4.294 0.745 192 H VAL 23 H VAL 23 7.397 -4.977 -1.008 193 HA VAL 23 HA VAL 23 7.960 -3.061 -2.969 194 HB VAL 23 HB VAL 23 6.641 -5.748 -3.376 195 1HG1 VAL 23 1HG1 VAL 23 8.312 -4.066 -5.241 196 2HG1 VAL 23 2HG1 VAL 23 6.573 -4.343 -5.359 197 3HG1 VAL 23 3HG1 VAL 23 7.697 -5.682 -5.585 198 1HG2 VAL 23 1HG2 VAL 23 8.903 -6.636 -3.655 199 2HG2 VAL 23 2HG2 VAL 23 8.656 -5.981 -2.036 200 3HG2 VAL 23 3HG2 VAL 23 9.572 -5.062 -3.230 201 H VAL 24 H VAL 24 4.912 -4.099 -1.599 202 HA VAL 24 HA VAL 24 3.478 -2.685 -3.744 203 HB VAL 24 HB VAL 24 1.435 -3.822 -3.016 204 1HG1 VAL 24 1HG1 VAL 24 2.772 -4.831 -4.762 205 2HG1 VAL 24 2HG1 VAL 24 2.041 -6.088 -3.764 206 3HG1 VAL 24 3HG1 VAL 24 3.746 -5.679 -3.563 207 1HG2 VAL 24 1HG2 VAL 24 1.916 -4.112 -0.662 208 2HG2 VAL 24 2HG2 VAL 24 3.227 -5.230 -1.040 209 3HG2 VAL 24 3HG2 VAL 24 1.557 -5.676 -1.394 210 H ILE 25 H ILE 25 4.768 -1.885 -0.931 211 HA ILE 25 HA ILE 25 2.444 -0.277 -0.100 212 HB ILE 25 HB ILE 25 4.817 -1.130 1.567 213 1HG1 ILE 25 2HG1 ILE 25 1.870 -1.789 1.793 214 2HG1 ILE 25 1HG1 ILE 25 3.099 -2.870 1.142 215 1HG2 ILE 25 1HG2 ILE 25 3.674 -0.008 3.434 216 2HG2 ILE 25 2HG2 ILE 25 2.454 0.597 2.313 217 3HG2 ILE 25 3HG2 ILE 25 4.128 1.132 2.166 218 1HD1 ILE 25 1HD1 ILE 25 4.196 -2.942 3.310 219 2HD1 ILE 25 2HD1 ILE 25 2.507 -3.433 3.440 220 3HD1 ILE 25 3HD1 ILE 25 3.000 -1.823 3.965 221 H MET 26 H MET 26 6.029 -0.009 0.012 222 HA MET 26 HA MET 26 5.963 2.743 0.508 223 1HB MET 26 2HB MET 26 8.162 0.989 -0.554 224 2HB MET 26 1HB MET 26 8.390 2.711 -0.278 225 1HG MET 26 2HG MET 26 7.630 2.296 2.093 226 2HG MET 26 1HG MET 26 7.770 0.575 1.735 227 1HE MET 26 1HE MET 26 9.705 3.996 2.031 228 2HE MET 26 2HE MET 26 10.052 3.492 0.376 229 3HE MET 26 3HE MET 26 11.340 3.508 1.580 230 HA PRO 27 HA PRO 27 6.881 3.666 -4.111 231 1HB PRO 27 2HB PRO 27 6.265 1.754 -5.956 232 2HB PRO 27 1HB PRO 27 7.876 1.960 -5.261 233 1HG PRO 27 2HG PRO 27 5.743 -0.004 -4.562 234 2HG PRO 27 1HG PRO 27 7.497 -0.241 -4.667 235 1HD PRO 27 2HD PRO 27 6.180 0.063 -2.310 236 2HD PRO 27 1HD PRO 27 7.858 0.585 -2.552 237 H PHE 28 H PHE 28 4.188 1.468 -3.465 238 HA PHE 28 HA PHE 28 2.390 2.698 -5.282 239 1HB PHE 28 2HB PHE 28 2.031 0.808 -2.976 240 2HB PHE 28 1HB PHE 28 0.644 1.479 -3.832 241 HD1 PHE 28 2HD PHE 28 3.740 -0.514 -4.298 242 HD2 PHE 28 1HD PHE 28 -0.062 0.579 -5.873 243 HE1 PHE 28 2HE PHE 28 3.955 -2.257 -6.019 244 HE2 PHE 28 1HE PHE 28 0.150 -1.164 -7.596 245 HZ PHE 28 HZ PHE 28 2.160 -2.582 -7.672 246 H PHE 29 H PHE 29 3.085 3.172 -1.851 247 HA PHE 29 HA PHE 29 0.984 4.962 -1.304 248 1HB PHE 29 2HB PHE 29 2.336 3.962 0.483 249 2HB PHE 29 1HB PHE 29 3.749 4.855 -0.074 250 HD1 PHE 29 2HD PHE 29 0.245 5.457 1.048 251 HD2 PHE 29 1HD PHE 29 4.266 6.847 0.960 252 HE1 PHE 29 2HE PHE 29 -0.380 7.346 2.501 253 HE2 PHE 29 1HE PHE 29 3.650 8.737 2.409 254 HZ PHE 29 HZ PHE 29 1.328 8.989 3.180 255 H GLU 30 H GLU 30 4.235 5.491 -2.582 256 HA GLU 30 HA GLU 30 4.160 8.299 -2.629 257 1HB GLU 30 2HB GLU 30 5.600 6.460 -4.553 258 2HB GLU 30 1HB GLU 30 5.991 8.144 -4.221 259 1HG GLU 30 2HG GLU 30 6.379 7.497 -1.859 260 2HG GLU 30 1HG GLU 30 6.195 5.819 -2.336 261 H GLU 31 H GLU 31 3.024 5.886 -4.839 262 HA GLU 31 HA GLU 31 2.224 7.669 -6.914 263 1HB GLU 31 2HB GLU 31 1.670 4.797 -6.282 264 2HB GLU 31 1HB GLU 31 0.744 5.606 -7.537 265 1HG GLU 31 2HG GLU 31 3.749 5.453 -7.480 266 2HG GLU 31 1HG GLU 31 2.706 4.346 -8.375 267 H CYS 32 H CYS 32 0.384 5.982 -4.367 268 HA CYS 32 HA CYS 32 -2.091 7.150 -5.191 269 1HB CYS 32 2HB CYS 32 -1.378 5.662 -2.658 270 2HB CYS 32 1HB CYS 32 -3.011 6.064 -3.180 271 HG CYS 32 HG CYS 32 -2.048 3.285 -3.584 272 H PHE 33 H PHE 33 0.397 8.075 -2.973 273 HA PHE 33 HA PHE 33 -0.888 9.759 -1.206 274 1HB PHE 33 2HB PHE 33 1.428 9.277 -0.953 275 2HB PHE 33 1HB PHE 33 1.816 9.911 -2.541 276 HD1 PHE 33 1HD PHE 33 1.973 12.340 -2.890 277 HD2 PHE 33 2HD PHE 33 1.214 10.690 0.956 278 HE1 PHE 33 1HE PHE 33 2.596 14.484 -1.850 279 HE2 PHE 33 2HE PHE 33 1.825 12.829 2.000 280 HZ PHE 33 HZ PHE 33 2.517 14.730 0.599 281 H ASP 34 H ASP 34 0.037 10.372 -4.541 282 HA ASP 34 HA ASP 34 -0.716 13.116 -4.585 283 1HB ASP 34 2HB ASP 34 0.833 12.227 -6.227 284 2HB ASP 34 1HB ASP 34 -0.379 11.091 -6.808 285 H SER 35 H SER 35 -2.447 10.123 -4.973 286 HA SER 35 HA SER 35 -4.765 11.495 -6.131 287 1HB SER 35 2HB SER 35 -3.852 9.459 -7.268 288 2HB SER 35 1HB SER 35 -4.267 8.521 -5.835 289 HG SER 35 HG SER 35 -6.142 10.021 -7.366 290 H LEU 36 H LEU 36 -3.695 10.962 -3.135 291 HA LEU 36 HA LEU 36 -6.384 10.354 -2.086 292 1HB LEU 36 2HB LEU 36 -3.700 9.887 -0.781 293 2HB LEU 36 1HB LEU 36 -5.249 9.622 -0.005 294 HG LEU 36 HG LEU 36 -4.190 8.118 -2.397 295 1HD1 LEU 36 1HD1 LEU 36 -4.605 7.275 0.467 296 2HD1 LEU 36 2HD1 LEU 36 -3.052 7.550 -0.323 297 3HD1 LEU 36 3HD1 LEU 36 -4.090 6.227 -0.855 298 1HD2 LEU 36 1HD2 LEU 36 -6.745 7.757 -0.832 299 2HD2 LEU 36 2HD2 LEU 36 -6.158 6.690 -2.110 300 3HD2 LEU 36 3HD2 LEU 36 -6.617 8.351 -2.488 301 H THR 37 H THR 37 -7.114 11.545 -0.276 302 HA THR 37 HA THR 37 -5.815 14.136 0.071 303 HB THR 37 HB THR 37 -7.888 14.658 1.426 304 HG1 THR 37 1HG THR 37 -9.564 13.210 1.398 305 1HG2 THR 37 1HG2 THR 37 -8.261 13.827 -1.456 306 2HG2 THR 37 2HG2 THR 37 -7.699 15.397 -0.882 307 3HG2 THR 37 3HG2 THR 37 -9.352 14.878 -0.554 308 H GLU 38 H GLU 38 -5.866 14.944 2.439 309 HA GLU 38 HA GLU 38 -4.134 13.396 3.992 310 1HB GLU 38 2HB GLU 38 -6.084 15.465 5.034 311 2HB GLU 38 1HB GLU 38 -4.571 14.976 5.774 312 1HG GLU 38 2HG GLU 38 -4.800 16.347 3.107 313 2HG GLU 38 1HG GLU 38 -4.482 17.166 4.632 314 H SER 39 H SER 39 -7.657 13.714 4.176 315 HA SER 39 HA SER 39 -8.195 12.216 6.430 316 1HB SER 39 2HB SER 39 -9.849 12.175 3.896 317 2HB SER 39 1HB SER 39 -10.408 11.963 5.552 318 HG SER 39 HG SER 39 -10.127 14.088 5.951 319 H GLU 40 H GLU 40 -7.897 11.071 3.075 320 HA GLU 40 HA GLU 40 -8.350 8.333 3.632 321 1HB GLU 40 2HB GLU 40 -6.666 9.387 1.363 322 2HB GLU 40 1HB GLU 40 -7.633 7.921 1.399 323 1HG GLU 40 2HG GLU 40 -8.767 10.703 1.486 324 2HG GLU 40 1HG GLU 40 -8.585 9.743 0.020 325 H GLN 41 H GLN 41 -5.485 10.327 3.436 326 HA GLN 41 HA GLN 41 -3.531 8.329 3.613 327 1HB GLN 41 2HB GLN 41 -3.638 11.258 4.199 328 2HB GLN 41 1HB GLN 41 -2.189 10.354 4.587 329 1HG GLN 41 2HG GLN 41 -1.883 9.728 2.304 330 2HG GLN 41 1HG GLN 41 -3.455 10.391 1.862 331 1HE2 GLN 41 1HE2 GLN 41 -3.701 12.593 1.685 332 2HE2 GLN 41 2HE2 GLN 41 -2.369 13.695 1.647 333 H ASP 42 H ASP 42 -5.237 10.141 6.120 334 HA ASP 42 HA ASP 42 -3.824 9.167 8.364 335 1HB ASP 42 2HB ASP 42 -5.272 11.063 8.600 336 2HB ASP 42 1HB ASP 42 -6.653 10.158 8.003 337 H ASP 43 H ASP 43 -6.620 7.972 6.644 338 HA ASP 43 HA ASP 43 -7.253 5.816 8.350 339 1HB ASP 43 2HB ASP 43 -8.705 6.834 6.565 340 2HB ASP 43 1HB ASP 43 -7.730 5.981 5.375 341 H PHE 44 H PHE 44 -5.223 6.046 5.463 342 HA PHE 44 HA PHE 44 -4.507 3.319 5.305 343 1HB PHE 44 2HB PHE 44 -4.218 4.849 3.422 344 2HB PHE 44 1HB PHE 44 -3.031 5.777 4.332 345 HD1 PHE 44 2HD PHE 44 -3.687 2.496 2.759 346 HD2 PHE 44 1HD PHE 44 -0.759 5.135 4.374 347 HE1 PHE 44 2HE PHE 44 -1.902 1.059 1.865 348 HE2 PHE 44 1HE PHE 44 1.029 3.699 3.483 349 HZ PHE 44 HZ PHE 44 0.457 1.659 2.228 350 H VAL 45 H VAL 45 -2.878 6.091 6.836 351 HA VAL 45 HA VAL 45 -0.592 4.697 7.692 352 HB VAL 45 HB VAL 45 -1.910 7.156 8.858 353 1HG1 VAL 45 1HG1 VAL 45 -0.528 6.070 10.562 354 2HG1 VAL 45 2HG1 VAL 45 0.191 7.584 10.017 355 3HG1 VAL 45 3HG1 VAL 45 0.834 6.046 9.442 356 1HG2 VAL 45 1HG2 VAL 45 0.480 6.808 7.050 357 2HG2 VAL 45 2HG2 VAL 45 -0.117 8.343 7.684 358 3HG2 VAL 45 3HG2 VAL 45 -1.108 7.403 6.568 359 H ALA 46 H ALA 46 -3.748 5.166 9.212 360 HA ALA 46 HA ALA 46 -3.219 3.958 11.680 361 1HB ALA 46 1HB ALA 46 -5.596 3.594 11.862 362 2HB ALA 46 2HB ALA 46 -5.792 3.810 10.123 363 3HB ALA 46 3HB ALA 46 -5.294 5.170 11.130 364 H LEU 47 H LEU 47 -4.099 2.513 8.571 365 HA LEU 47 HA LEU 47 -4.380 -0.138 9.481 366 1HB LEU 47 2HB LEU 47 -3.903 1.114 6.824 367 2HB LEU 47 1HB LEU 47 -3.671 -0.614 6.982 368 HG LEU 47 HG LEU 47 -6.206 0.953 7.377 369 1HD1 LEU 47 1HD1 LEU 47 -7.046 -0.548 5.651 370 2HD1 LEU 47 2HD1 LEU 47 -5.484 -1.364 5.587 371 3HD1 LEU 47 3HD1 LEU 47 -5.620 0.322 5.086 372 1HD2 LEU 47 1HD2 LEU 47 -7.269 -1.141 8.055 373 2HD2 LEU 47 2HD2 LEU 47 -6.024 -0.654 9.206 374 3HD2 LEU 47 3HD2 LEU 47 -5.700 -1.944 8.046 375 H LEU 48 H LEU 48 -1.556 1.701 8.514 376 HA LEU 48 HA LEU 48 0.247 -0.374 8.077 377 1HB LEU 48 2HB LEU 48 0.759 2.368 9.223 378 2HB LEU 48 1HB LEU 48 2.007 1.281 8.645 379 HG LEU 48 HG LEU 48 -0.191 2.472 6.946 380 1HD1 LEU 48 1HD1 LEU 48 1.615 3.782 5.937 381 2HD1 LEU 48 2HD1 LEU 48 2.752 3.117 7.109 382 3HD1 LEU 48 3HD1 LEU 48 1.428 4.148 7.651 383 1HD2 LEU 48 1HD2 LEU 48 0.509 0.276 6.159 384 2HD2 LEU 48 2HD2 LEU 48 2.197 0.783 6.210 385 3HD2 LEU 48 3HD2 LEU 48 1.083 1.540 5.071 386 H GLU 49 H GLU 49 -0.787 1.095 11.110 387 HA GLU 49 HA GLU 49 1.124 -0.478 12.622 388 1HB GLU 49 2HB GLU 49 -1.038 1.414 13.548 389 2HB GLU 49 1HB GLU 49 0.111 0.605 14.610 390 1HG GLU 49 2HG GLU 49 1.924 1.695 13.179 391 2HG GLU 49 1HG GLU 49 0.633 2.718 12.551 392 H SER 50 H SER 50 -1.926 -0.950 11.346 393 HA SER 50 HA SER 50 -2.852 -2.780 13.412 394 1HB SER 50 2HB SER 50 -4.063 -2.153 10.703 395 2HB SER 50 1HB SER 50 -4.854 -2.989 12.040 396 HG SER 50 HG SER 50 -3.984 -0.282 11.978 397 H ASP 51 H ASP 51 -3.951 -4.847 12.037 398 HA ASP 51 HA ASP 51 -1.643 -6.215 10.915 399 1HB ASP 51 2HB ASP 51 -4.386 -7.219 11.696 400 2HB ASP 51 1HB ASP 51 -3.159 -8.232 10.943 401 H ASP 52 H ASP 52 -2.202 -7.725 8.984 402 HA ASP 52 HA ASP 52 -3.682 -6.092 7.021 403 1HB ASP 52 2HB ASP 52 -1.909 -6.611 5.405 404 2HB ASP 52 1HB ASP 52 -1.241 -5.813 6.827 405 HA PRO 53 HA PRO 53 -4.724 -10.656 6.529 406 1HB PRO 53 2HB PRO 53 -7.204 -10.546 7.931 407 2HB PRO 53 1HB PRO 53 -5.734 -11.393 8.414 408 1HG PRO 53 2HG PRO 53 -6.819 -9.214 9.739 409 2HG PRO 53 1HG PRO 53 -5.138 -9.753 9.872 410 1HD PRO 53 2HD PRO 53 -6.294 -7.544 8.219 411 2HD PRO 53 1HD PRO 53 -4.756 -7.603 9.110 412 H ASP 54 H ASP 54 -7.437 -8.364 6.924 413 HA ASP 54 HA ASP 54 -8.757 -9.241 4.561 414 1HB ASP 54 2HB ASP 54 -10.207 -7.246 4.906 415 2HB ASP 54 1HB ASP 54 -10.066 -8.257 6.338 416 H LEU 55 H LEU 55 -6.464 -6.714 5.325 417 HA LEU 55 HA LEU 55 -6.597 -5.216 2.969 418 1HB LEU 55 2HB LEU 55 -5.303 -4.732 5.115 419 2HB LEU 55 1HB LEU 55 -4.067 -5.806 4.499 420 HG LEU 55 HG LEU 55 -4.960 -3.357 2.981 421 1HD1 LEU 55 1HD1 LEU 55 -4.181 -2.681 5.205 422 2HD1 LEU 55 2HD1 LEU 55 -3.056 -2.186 3.940 423 3HD1 LEU 55 3HD1 LEU 55 -2.687 -3.582 4.951 424 1HD2 LEU 55 1HD2 LEU 55 -3.726 -5.035 1.696 425 2HD2 LEU 55 2HD2 LEU 55 -2.428 -5.000 2.889 426 3HD2 LEU 55 3HD2 LEU 55 -2.772 -3.569 1.917 427 H PHE 56 H PHE 56 -4.543 -8.010 3.784 428 HA PHE 56 HA PHE 56 -3.239 -8.295 1.335 429 1HB PHE 56 2HB PHE 56 -2.736 -9.505 3.504 430 2HB PHE 56 1HB PHE 56 -4.103 -10.552 3.153 431 HD1 PHE 56 2HD PHE 56 -0.765 -9.514 1.984 432 HD2 PHE 56 1HD PHE 56 -3.920 -12.347 1.631 433 HE1 PHE 56 2HE PHE 56 0.701 -10.971 0.653 434 HE2 PHE 56 1HE PHE 56 -2.458 -13.811 0.297 435 HZ PHE 56 HZ PHE 56 -0.146 -13.124 -0.194 436 H ALA 57 H ALA 57 -6.364 -9.459 2.439 437 HA ALA 57 HA ALA 57 -6.870 -11.217 0.283 438 1HB ALA 57 1HB ALA 57 -8.842 -9.887 2.132 439 2HB ALA 57 2HB ALA 57 -7.992 -11.398 2.457 440 3HB ALA 57 3HB ALA 57 -9.144 -11.303 1.124 441 H TRP 58 H TRP 58 -7.625 -7.790 0.802 442 HA TRP 58 HA TRP 58 -9.374 -7.564 -1.404 443 1HB TRP 58 2HB TRP 58 -7.902 -5.584 0.270 444 2HB TRP 58 1HB TRP 58 -8.646 -5.051 -1.239 445 HD1 TRP 58 HD TRP 58 -9.594 -6.726 2.066 446 HE1 TRP 58 1HE TRP 58 -12.053 -6.194 2.587 447 HE3 TRP 58 3HE TRP 58 -10.804 -4.317 -2.254 448 HZ2 TRP 58 2HZ TRP 58 -14.238 -4.940 1.305 449 HZ3 TRP 58 3HZ TRP 58 -13.109 -3.494 -2.545 450 HH2 TRP 58 HH TRP 58 -14.787 -3.802 -0.801 451 H VAL 59 H VAL 59 -5.904 -7.039 -1.036 452 HA VAL 59 HA VAL 59 -5.437 -6.041 -3.639 453 HB VAL 59 HB VAL 59 -3.512 -7.544 -1.852 454 1HG1 VAL 59 1HG1 VAL 59 -1.765 -6.345 -3.085 455 2HG1 VAL 59 2HG1 VAL 59 -2.995 -5.629 -4.127 456 3HG1 VAL 59 3HG1 VAL 59 -2.723 -7.370 -4.156 457 1HG2 VAL 59 1HG2 VAL 59 -4.068 -4.586 -2.045 458 2HG2 VAL 59 2HG2 VAL 59 -2.781 -5.330 -1.096 459 3HG2 VAL 59 3HG2 VAL 59 -4.470 -5.637 -0.687 460 H MET 60 H MET 60 -5.688 -9.278 -2.324 461 HA MET 60 HA MET 60 -4.696 -10.551 -4.688 462 1HB MET 60 2HB MET 60 -4.424 -11.427 -2.350 463 2HB MET 60 1HB MET 60 -6.149 -11.772 -2.342 464 1HG MET 60 2HG MET 60 -5.899 -13.304 -4.150 465 2HG MET 60 1HG MET 60 -4.197 -12.892 -4.312 466 1HE MET 60 1HE MET 60 -4.012 -16.543 -2.936 467 2HE MET 60 2HE MET 60 -3.486 -15.431 -4.200 468 3HE MET 60 3HE MET 60 -5.186 -15.891 -4.081 469 H GLY 61 H GLY 61 -7.774 -9.483 -3.493 470 1HA GLY 61 2HA GLY 61 -9.522 -9.055 -5.064 471 2HA GLY 61 1HA GLY 61 -8.959 -10.414 -6.020 472 H HIS 62 H HIS 62 -9.275 -10.831 -2.590 473 HA HIS 62 HA HIS 62 -11.939 -12.011 -2.885 474 1HB HIS 62 2HB HIS 62 -9.477 -13.527 -2.015 475 2HB HIS 62 1HB HIS 62 -11.092 -14.040 -1.550 476 HD1 HIS 62 1HD HIS 62 -8.667 -14.955 -3.849 477 HD2 HIS 62 2HD HIS 62 -12.722 -14.117 -4.219 478 HE1 HIS 62 1HE HIS 62 -9.399 -16.078 -5.978 479 HE2 HIS 62 2HE HIS 62 -11.893 -15.724 -6.072 480 H GLY 63 H GLY 63 -11.407 -9.652 -1.603 481 1HA GLY 63 2HA GLY 63 -11.248 -10.421 1.247 482 2HA GLY 63 1HA GLY 63 -10.543 -8.945 0.613 483 H ARG 64 H ARG 64 -12.584 -9.531 2.701 484 HA ARG 64 HA ARG 64 -14.423 -7.410 1.819 485 1HB ARG 64 2HB ARG 64 -15.041 -9.822 3.525 486 2HB ARG 64 1HB ARG 64 -16.020 -8.370 3.596 487 1HG ARG 64 2HG ARG 64 -17.119 -9.889 2.146 488 2HG ARG 64 1HG ARG 64 -16.432 -8.615 1.142 489 1HD ARG 64 2HD ARG 64 -14.523 -10.097 0.634 490 2HD ARG 64 1HD ARG 64 -15.295 -11.372 1.575 491 HE ARG 64 HE ARG 64 -17.180 -11.156 -0.089 492 1HH1 ARG 64 1HH1 ARG 64 -13.893 -10.282 -0.949 493 2HH1 ARG 64 2HH1 ARG 64 -14.089 -10.691 -2.627 494 1HH2 ARG 64 1HH2 ARG 64 -17.429 -11.708 -2.280 495 2HH2 ARG 64 2HH2 ARG 64 -16.098 -11.512 -3.376 496 H CYS 65 H CYS 65 -14.826 -5.802 3.439 497 HA CYS 65 HA CYS 65 -12.859 -5.877 5.629 498 1HB CYS 65 2HB CYS 65 -12.048 -4.596 3.596 499 2HB CYS 65 1HB CYS 65 -13.350 -3.451 3.896 500 HG CYS 65 HG CYS 65 -10.604 -4.054 5.833 501 H GLU 66 H GLU 66 -13.253 -4.318 7.347 502 HA GLU 66 HA GLU 66 -15.904 -4.217 8.240 503 1HB GLU 66 2HB GLU 66 -13.573 -2.467 9.038 504 2HB GLU 66 1HB GLU 66 -15.084 -2.601 9.924 505 1HG GLU 66 2HG GLU 66 -13.096 -4.813 9.459 506 2HG GLU 66 1HG GLU 66 -13.327 -3.916 10.957 507 H ASN 67 H ASN 67 -13.902 -1.684 6.756 508 HA ASN 67 HA ASN 67 -16.362 -0.146 6.246 509 1HB ASN 67 2HB ASN 67 -15.001 0.804 8.125 510 2HB ASN 67 1HB ASN 67 -13.672 1.028 6.992 511 1HD2 ASN 67 1HD2 ASN 67 -16.827 2.103 7.965 512 2HD2 ASN 67 2HD2 ASN 67 -16.820 3.584 7.063 513 H LEU 68 H LEU 68 -16.582 0.651 4.196 514 HA LEU 68 HA LEU 68 -14.765 -0.380 2.229 515 1HB LEU 68 2HB LEU 68 -17.255 1.289 2.007 516 2HB LEU 68 1HB LEU 68 -16.296 0.830 0.614 517 HG LEU 68 HG LEU 68 -17.836 -0.984 2.465 518 1HD1 LEU 68 1HD1 LEU 68 -18.982 -1.621 0.407 519 2HD1 LEU 68 2HD1 LEU 68 -17.982 -0.491 -0.507 520 3HD1 LEU 68 3HD1 LEU 68 -19.119 0.112 0.700 521 1HD2 LEU 68 1HD2 LEU 68 -16.967 -2.857 1.149 522 2HD2 LEU 68 2HD2 LEU 68 -15.673 -2.015 2.001 523 3HD2 LEU 68 3HD2 LEU 68 -15.908 -1.752 0.273 524 H GLY 69 H GLY 69 -15.077 2.613 3.894 525 1HA GLY 69 2HA GLY 69 -13.762 4.341 2.106 526 2HA GLY 69 1HA GLY 69 -13.705 4.462 3.862 527 H LEU 70 H LEU 70 -12.498 2.092 4.516 528 HA LEU 70 HA LEU 70 -9.759 2.424 4.096 529 1HB LEU 70 2HB LEU 70 -11.441 0.050 4.864 530 2HB LEU 70 1HB LEU 70 -9.699 -0.072 4.734 531 HG LEU 70 HG LEU 70 -10.909 2.014 6.508 532 1HD1 LEU 70 1HD1 LEU 70 -10.853 0.411 8.364 533 2HD1 LEU 70 2HD1 LEU 70 -10.463 -0.884 7.232 534 3HD1 LEU 70 3HD1 LEU 70 -12.023 -0.066 7.135 535 1HD2 LEU 70 1HD2 LEU 70 -8.525 2.088 6.073 536 2HD2 LEU 70 2HD2 LEU 70 -8.363 0.404 6.572 537 3HD2 LEU 70 3HD2 LEU 70 -8.831 1.633 7.749 538 H ALA 71 H ALA 71 -12.069 0.263 2.531 539 HA ALA 71 HA ALA 71 -10.259 -1.021 0.815 540 1HB ALA 71 1HB ALA 71 -13.220 -0.598 0.461 541 2HB ALA 71 2HB ALA 71 -12.465 -1.904 1.374 542 3HB ALA 71 3HB ALA 71 -12.230 -1.800 -0.371 543 H ALA 72 H ALA 72 -11.858 2.055 0.591 544 HA ALA 72 HA ALA 72 -11.831 2.412 -2.186 545 1HB ALA 72 1HB ALA 72 -12.089 4.772 -1.735 546 2HB ALA 72 2HB ALA 72 -11.560 4.540 -0.069 547 3HB ALA 72 3HB ALA 72 -13.083 3.838 -0.616 548 H MET 73 H MET 73 -9.423 3.459 0.248 549 HA MET 73 HA MET 73 -7.682 4.442 -1.791 550 1HB MET 73 2HB MET 73 -6.020 4.681 0.083 551 2HB MET 73 1HB MET 73 -7.523 5.563 0.274 552 1HG MET 73 2HG MET 73 -7.173 4.718 2.372 553 2HG MET 73 1HG MET 73 -8.263 3.527 1.671 554 1HE MET 73 1HE MET 73 -5.868 1.491 4.054 555 2HE MET 73 2HE MET 73 -7.534 1.978 3.736 556 3HE MET 73 3HE MET 73 -6.354 3.171 4.280 557 H VAL 74 H VAL 74 -8.014 1.402 -0.102 558 HA VAL 74 HA VAL 74 -5.573 0.255 -0.996 559 HB VAL 74 HB VAL 74 -8.177 -1.112 -0.267 560 1HG1 VAL 74 1HG1 VAL 74 -6.796 -2.577 -1.624 561 2HG1 VAL 74 2HG1 VAL 74 -6.814 -3.130 0.050 562 3HG1 VAL 74 3HG1 VAL 74 -5.408 -2.270 -0.581 563 1HG2 VAL 74 1HG2 VAL 74 -5.690 -0.600 1.361 564 2HG2 VAL 74 2HG2 VAL 74 -7.083 -1.549 1.884 565 3HG2 VAL 74 3HG2 VAL 74 -7.259 0.178 1.573 566 H ASP 75 H ASP 75 -8.797 0.502 -2.354 567 HA ASP 75 HA ASP 75 -8.552 -1.260 -4.513 568 1HB ASP 75 2HB ASP 75 -10.667 -0.219 -3.701 569 2HB ASP 75 1HB ASP 75 -10.152 1.306 -4.409 570 H LYS 76 H LYS 76 -7.660 2.136 -4.195 571 HA LYS 76 HA LYS 76 -6.923 2.557 -6.890 572 1HB LYS 76 2HB LYS 76 -6.023 3.909 -4.342 573 2HB LYS 76 1HB LYS 76 -5.571 4.463 -5.950 574 1HG LYS 76 2HG LYS 76 -7.912 4.834 -6.498 575 2HG LYS 76 1HG LYS 76 -8.389 4.243 -4.906 576 1HD LYS 76 2HD LYS 76 -7.302 6.092 -3.827 577 2HD LYS 76 1HD LYS 76 -6.596 6.629 -5.355 578 1HE LYS 76 2HE LYS 76 -8.790 7.135 -6.231 579 2HE LYS 76 1HE LYS 76 -9.553 6.484 -4.782 580 1HZ LYS 76 1HZ LYS 76 -9.359 8.959 -4.895 581 2HZ LYS 76 2HZ LYS 76 -7.681 8.782 -4.713 582 3HZ LYS 76 3HZ LYS 76 -8.730 8.249 -3.490 583 H ILE 77 H ILE 77 -5.210 1.277 -4.107 584 HA ILE 77 HA ILE 77 -2.651 1.090 -5.319 585 HB ILE 77 HB ILE 77 -3.837 -0.582 -3.092 586 1HG1 ILE 77 2HG1 ILE 77 -2.089 1.890 -2.969 587 2HG1 ILE 77 1HG1 ILE 77 -3.814 1.837 -2.604 588 1HG2 ILE 77 1HG2 ILE 77 -0.955 -0.188 -3.899 589 2HG2 ILE 77 2HG2 ILE 77 -1.901 -1.659 -4.114 590 3HG2 ILE 77 3HG2 ILE 77 -1.518 -1.088 -2.490 591 1HD1 ILE 77 1HD1 ILE 77 -1.650 0.375 -1.104 592 2HD1 ILE 77 2HD1 ILE 77 -3.373 0.361 -0.725 593 3HD1 ILE 77 3HD1 ILE 77 -2.453 1.857 -0.585 594 H VAL 78 H VAL 78 -5.337 -1.193 -4.940 595 HA VAL 78 HA VAL 78 -4.189 -3.408 -6.194 596 HB VAL 78 HB VAL 78 -7.110 -2.620 -6.172 597 1HG1 VAL 78 1HG1 VAL 78 -7.539 -5.017 -6.454 598 2HG1 VAL 78 2HG1 VAL 78 -5.805 -5.300 -6.613 599 3HG1 VAL 78 3HG1 VAL 78 -6.655 -4.337 -7.821 600 1HG2 VAL 78 1HG2 VAL 78 -7.279 -4.089 -4.215 601 2HG2 VAL 78 2HG2 VAL 78 -6.199 -2.727 -3.920 602 3HG2 VAL 78 3HG2 VAL 78 -5.530 -4.326 -4.247 603 H ALA 79 H ALA 79 -6.156 -0.784 -7.572 604 HA ALA 79 HA ALA 79 -6.252 -1.715 -10.205 605 1HB ALA 79 1HB ALA 79 -6.794 0.563 -10.830 606 2HB ALA 79 2HB ALA 79 -6.185 1.154 -9.285 607 3HB ALA 79 3HB ALA 79 -7.619 0.129 -9.332 608 H HIS 80 H HIS 80 -3.824 0.263 -8.563 609 HA HIS 80 HA HIS 80 -2.253 0.795 -10.867 610 1HB HIS 80 2HB HIS 80 -2.226 1.918 -8.504 611 2HB HIS 80 1HB HIS 80 -1.092 0.635 -8.101 612 HD1 HIS 80 1HD HIS 80 1.279 0.753 -9.204 613 HD2 HIS 80 2HD HIS 80 -1.246 3.910 -10.172 614 HE1 HIS 80 1HE HIS 80 2.750 2.500 -10.246 615 HE2 HIS 80 2HE HIS 80 1.242 4.493 -10.566 616 H ASN 81 H ASN 81 -2.258 -1.744 -8.427 617 HA ASN 81 HA ASN 81 0.125 -3.023 -9.309 618 1HB ASN 81 2HB ASN 81 -0.888 -3.333 -7.040 619 2HB ASN 81 1HB ASN 81 -2.179 -4.264 -7.792 620 1HD2 ASN 81 1HD2 ASN 81 -1.711 -6.137 -6.732 621 2HD2 ASN 81 2HD2 ASN 81 -0.294 -7.075 -7.039 622 H LEU 82 H LEU 82 -3.329 -3.583 -9.964 623 HA LEU 82 HA LEU 82 -3.099 -5.885 -11.488 624 1HB LEU 82 2HB LEU 82 -5.043 -3.594 -11.613 625 2HB LEU 82 1HB LEU 82 -5.220 -5.040 -12.573 626 HG LEU 82 HG LEU 82 -5.228 -4.917 -9.564 627 1HD1 LEU 82 1HD1 LEU 82 -7.589 -5.571 -9.800 628 2HD1 LEU 82 2HD1 LEU 82 -7.445 -5.400 -11.550 629 3HD1 LEU 82 3HD1 LEU 82 -7.254 -3.990 -10.506 630 1HD2 LEU 82 1HD2 LEU 82 -5.814 -7.275 -9.642 631 2HD2 LEU 82 2HD2 LEU 82 -4.254 -7.004 -10.418 632 3HD2 LEU 82 3HD2 LEU 82 -5.694 -7.264 -11.401 633 H SER 83 H SER 83 -2.599 -2.535 -12.370 634 HA SER 83 HA SER 83 -2.521 -2.926 -15.169 635 1HB SER 83 2HB SER 83 -1.171 -0.773 -13.514 636 2HB SER 83 1HB SER 83 -1.508 -0.700 -15.245 637 HG SER 83 HG SER 83 -3.384 -0.758 -13.105 638 H LYS 84 H LYS 84 0.099 -2.749 -12.729 639 HA LYS 84 HA LYS 84 2.145 -3.251 -14.642 640 1HB LYS 84 2HB LYS 84 3.576 -3.738 -12.640 641 2HB LYS 84 1HB LYS 84 2.794 -2.165 -12.624 642 1HG LYS 84 2HG LYS 84 1.112 -2.999 -11.081 643 2HG LYS 84 1HG LYS 84 1.850 -4.600 -11.127 644 1HD LYS 84 2HD LYS 84 3.371 -2.153 -10.266 645 2HD LYS 84 1HD LYS 84 2.419 -3.115 -9.133 646 1HE LYS 84 2HE LYS 84 4.683 -4.133 -10.844 647 2HE LYS 84 1HE LYS 84 4.788 -3.747 -9.127 648 1HZ LYS 84 1HZ LYS 84 3.198 -5.909 -10.396 649 2HZ LYS 84 2HZ LYS 84 3.015 -5.451 -8.777 650 3HZ LYS 84 3HZ LYS 84 4.496 -6.076 -9.316 651 H VAL 85 H VAL 85 -0.032 -5.295 -12.903 652 HA VAL 85 HA VAL 85 1.458 -7.717 -13.308 653 HB VAL 85 HB VAL 85 -1.457 -7.279 -12.614 654 1HG1 VAL 85 1HG1 VAL 85 -1.256 -9.412 -13.744 655 2HG1 VAL 85 2HG1 VAL 85 -1.483 -9.686 -12.017 656 3HG1 VAL 85 3HG1 VAL 85 0.121 -9.854 -12.732 657 1HG2 VAL 85 1HG2 VAL 85 0.916 -8.125 -10.945 658 2HG2 VAL 85 2HG2 VAL 85 -0.751 -8.059 -10.377 659 3HG2 VAL 85 3HG2 VAL 85 0.073 -6.577 -10.863 660 H ARG 86 H ARG 86 -1.204 -6.062 -14.960 661 HA ARG 86 HA ARG 86 -1.648 -8.143 -16.850 662 1HB ARG 86 2HB ARG 86 -3.228 -6.719 -17.852 663 2HB ARG 86 1HB ARG 86 -3.280 -6.320 -16.148 664 1HG ARG 86 2HG ARG 86 -1.931 -4.336 -16.558 665 2HG ARG 86 1HG ARG 86 -1.848 -4.744 -18.273 666 1HD ARG 86 2HD ARG 86 -4.331 -4.084 -16.694 667 2HD ARG 86 1HD ARG 86 -3.554 -3.066 -17.905 668 HE ARG 86 HE ARG 86 -4.459 -5.690 -18.791 669 1HH1 ARG 86 1HH1 ARG 86 -5.055 -2.241 -18.643 670 2HH1 ARG 86 2HH1 ARG 86 -6.245 -2.273 -19.919 671 1HH2 ARG 86 1HH2 ARG 86 -6.046 -5.737 -20.417 672 2HH2 ARG 86 2HH2 ARG 86 -6.808 -4.256 -20.918 673 H LEU 87 H LEU 87 0.603 -5.557 -16.640 674 HA LEU 87 HA LEU 87 1.282 -5.212 -19.331 675 1HB LEU 87 2HB LEU 87 2.937 -4.985 -16.827 676 2HB LEU 87 1HB LEU 87 3.534 -4.546 -18.410 677 HG LEU 87 HG LEU 87 1.201 -3.264 -16.996 678 1HD1 LEU 87 1HD1 LEU 87 3.986 -2.250 -17.550 679 2HD1 LEU 87 2HD1 LEU 87 3.321 -2.686 -15.974 680 3HD1 LEU 87 3HD1 LEU 87 2.666 -1.308 -16.857 681 1HD2 LEU 87 1HD2 LEU 87 2.502 -2.580 -19.632 682 2HD2 LEU 87 2HD2 LEU 87 1.243 -1.642 -18.829 683 3HD2 LEU 87 3HD2 LEU 87 0.893 -3.269 -19.414 684 H GLU 88 H GLU 88 2.486 -7.481 -16.913 685 HA GLU 88 HA GLU 88 3.467 -9.507 -17.049 686 1HB GLU 88 2HB GLU 88 2.685 -9.303 -19.946 687 2HB GLU 88 1HB GLU 88 3.463 -10.719 -19.251 688 1HG GLU 88 2HG GLU 88 1.582 -10.895 -17.647 689 2HG GLU 88 1HG GLU 88 0.783 -9.574 -18.503 690 H HIS 89 H HIS 89 4.546 -7.225 -19.513 691 HA HIS 89 HA HIS 89 7.031 -8.461 -20.038 692 1HB HIS 89 2HB HIS 89 5.935 -6.762 -21.503 693 2HB HIS 89 1HB HIS 89 6.323 -5.529 -20.311 694 HD1 HIS 89 1HD HIS 89 7.731 -7.403 -23.156 695 HD2 HIS 89 2HD HIS 89 9.134 -4.957 -20.097 696 HE1 HIS 89 1HE HIS 89 10.043 -6.709 -23.849 697 HE2 HIS 89 2HE HIS 89 10.798 -5.083 -22.074 698 H HIS 90 H HIS 90 7.901 -9.019 -18.047 699 HA HIS 90 HA HIS 90 9.817 -7.300 -16.965 700 1HB HIS 90 2HB HIS 90 8.909 -7.014 -14.658 701 2HB HIS 90 1HB HIS 90 8.014 -6.102 -15.865 702 HD1 HIS 90 1HD HIS 90 5.770 -5.993 -14.780 703 HD2 HIS 90 2HD HIS 90 7.272 -9.870 -14.904 704 HE1 HIS 90 1HE HIS 90 3.887 -7.483 -14.018 705 HE2 HIS 90 2HE HIS 90 4.772 -9.832 -14.257 706 H HIS 91 H HIS 91 10.739 -8.304 -14.870 707 HA HIS 91 HA HIS 91 10.169 -11.186 -14.806 708 1HB HIS 91 2HB HIS 91 12.777 -9.829 -15.205 709 2HB HIS 91 1HB HIS 91 12.765 -11.232 -14.138 710 HD1 HIS 91 1HD HIS 91 12.084 -10.256 -17.719 711 HD2 HIS 91 2HD HIS 91 12.472 -13.680 -15.390 712 HE1 HIS 91 1HE HIS 91 12.174 -12.172 -19.341 713 HE2 HIS 91 2HE HIS 91 12.159 -14.241 -17.898 714 H HIS 92 H HIS 92 9.538 -11.833 -12.914 715 HA HIS 92 HA HIS 92 9.416 -10.133 -10.671 716 1HB HIS 92 2HB HIS 92 8.468 -11.998 -9.465 717 2HB HIS 92 1HB HIS 92 7.813 -12.000 -11.095 718 HD1 HIS 92 1HD HIS 92 9.141 -14.232 -8.639 719 HD2 HIS 92 2HD HIS 92 9.349 -13.975 -12.792 720 HE1 HIS 92 1HE HIS 92 9.817 -16.518 -9.433 721 HE2 HIS 92 2HE HIS 92 10.010 -16.327 -11.940 722 H HIS 93 H HIS 93 10.686 -9.847 -8.958 723 HA HIS 93 HA HIS 93 13.205 -11.343 -8.836 724 1HB HIS 93 2HB HIS 93 12.342 -8.839 -7.362 725 2HB HIS 93 1HB HIS 93 13.925 -9.597 -7.229 726 HD1 HIS 93 1HD HIS 93 15.599 -9.202 -9.148 727 HD2 HIS 93 2HD HIS 93 11.883 -7.430 -9.772 728 HE1 HIS 93 1HE HIS 93 15.903 -7.648 -11.105 729 HE2 HIS 93 2HE HIS 93 13.676 -6.498 -11.392 730 H HIS 94 H HIS 94 10.145 -11.146 -7.512 731 HA HIS 94 HA HIS 94 10.800 -13.271 -5.628 732 1HB HIS 94 2HB HIS 94 9.764 -10.625 -4.889 733 2HB HIS 94 1HB HIS 94 8.751 -11.947 -4.324 734 HD1 HIS 94 1HD HIS 94 9.433 -12.992 -2.174 735 HD2 HIS 94 2HD HIS 94 12.573 -10.942 -3.985 736 HE1 HIS 94 1HE HIS 94 11.334 -13.064 -0.527 737 HE2 HIS 94 2HE HIS 94 13.275 -11.982 -1.718 Start of MODEL 3 1 1H MET 1 1HT MET 1 -0.161 15.482 6.643 2 2H MET 1 2HT MET 1 -0.180 14.090 5.687 3 3H MET 1 3HT MET 1 -0.882 15.524 5.106 4 HA MET 1 HA MET 1 1.262 15.120 4.069 5 1HB MET 1 2HB MET 1 0.370 17.477 5.176 6 2HB MET 1 1HB MET 1 1.984 17.348 5.858 7 1HG MET 1 2HG MET 1 1.288 17.313 2.928 8 2HG MET 1 1HG MET 1 1.990 18.661 3.816 9 1HE MET 1 1HE MET 1 3.921 18.858 2.011 10 2HE MET 1 2HE MET 1 3.222 17.512 1.110 11 3HE MET 1 3HE MET 1 4.939 17.506 1.511 12 H TYR 2 H TYR 2 3.559 14.839 4.327 13 HA TYR 2 HA TYR 2 4.425 14.070 6.997 14 1HB TYR 2 2HB TYR 2 5.258 11.865 6.104 15 2HB TYR 2 1HB TYR 2 3.511 11.999 6.241 16 HD1 TYR 2 2HD TYR 2 6.339 11.902 3.883 17 HD2 TYR 2 1HD TYR 2 2.106 11.914 4.291 18 HE1 TYR 2 2HE TYR 2 6.114 11.255 1.522 19 HE2 TYR 2 1HE TYR 2 1.873 11.262 1.935 20 HH TYR 2 HH TYR 2 4.524 10.214 0.045 21 H THR 3 H THR 3 6.587 14.235 7.331 22 HA THR 3 HA THR 3 8.229 15.215 5.114 23 HB THR 3 HB THR 3 9.849 15.832 6.923 24 HG1 THR 3 1HG THR 3 8.384 15.863 9.057 25 1HG2 THR 3 1HG2 THR 3 7.061 16.960 7.213 26 2HG2 THR 3 2HG2 THR 3 8.296 17.509 6.080 27 3HG2 THR 3 3HG2 THR 3 8.534 17.717 7.816 28 H ALA 4 H ALA 4 10.698 14.515 5.656 29 HA ALA 4 HA ALA 4 10.938 11.772 5.130 30 1HB ALA 4 1HB ALA 4 13.320 12.063 5.503 31 2HB ALA 4 2HB ALA 4 13.026 13.600 6.316 32 3HB ALA 4 3HB ALA 4 12.678 13.432 4.595 33 H GLU 5 H GLU 5 10.802 13.557 8.116 34 HA GLU 5 HA GLU 5 11.768 11.585 9.874 35 1HB GLU 5 2HB GLU 5 9.733 13.763 10.378 36 2HB GLU 5 1HB GLU 5 10.596 12.864 11.614 37 1HG GLU 5 2HG GLU 5 12.708 13.778 10.798 38 2HG GLU 5 1HG GLU 5 11.827 14.696 9.580 39 H GLN 6 H GLN 6 8.480 12.402 8.818 40 HA GLN 6 HA GLN 6 7.215 10.331 10.300 41 1HB GLN 6 2HB GLN 6 6.184 11.753 7.842 42 2HB GLN 6 1HB GLN 6 5.227 10.869 9.022 43 1HG GLN 6 2HG GLN 6 5.936 12.515 10.741 44 2HG GLN 6 1HG GLN 6 6.729 13.435 9.465 45 1HE2 GLN 6 1HE2 GLN 6 3.689 11.710 9.153 46 2HE2 GLN 6 2HE2 GLN 6 2.710 13.121 8.924 47 H LYS 7 H LYS 7 8.498 10.590 7.032 48 HA LYS 7 HA LYS 7 7.474 8.195 5.996 49 1HB LYS 7 2HB LYS 7 9.943 9.777 5.324 50 2HB LYS 7 1HB LYS 7 9.506 8.312 4.453 51 1HG LYS 7 2HG LYS 7 7.311 9.376 3.931 52 2HG LYS 7 1HG LYS 7 7.931 10.866 4.645 53 1HD LYS 7 2HD LYS 7 8.159 10.870 2.211 54 2HD LYS 7 1HD LYS 7 9.735 10.910 3.004 55 1HE LYS 7 2HE LYS 7 10.044 8.551 2.599 56 2HE LYS 7 1HE LYS 7 8.413 8.414 1.943 57 1HZ LYS 7 1HZ LYS 7 10.297 8.566 0.287 58 2HZ LYS 7 2HZ LYS 7 10.450 10.195 0.744 59 3HZ LYS 7 3HZ LYS 7 9.001 9.640 0.054 60 H ALA 8 H ALA 8 10.288 8.818 8.010 61 HA ALA 8 HA ALA 8 11.535 6.316 7.829 62 1HB ALA 8 1HB ALA 8 11.348 8.119 10.240 63 2HB ALA 8 2HB ALA 8 12.545 8.244 8.952 64 3HB ALA 8 3HB ALA 8 12.522 6.826 10.001 65 H ARG 9 H ARG 9 8.867 7.418 9.871 66 HA ARG 9 HA ARG 9 8.575 5.000 11.333 67 1HB ARG 9 2HB ARG 9 6.495 7.107 10.730 68 2HB ARG 9 1HB ARG 9 6.384 5.881 11.984 69 1HG ARG 9 2HG ARG 9 8.438 8.079 11.869 70 2HG ARG 9 1HG ARG 9 6.990 8.075 12.875 71 1HD ARG 9 2HD ARG 9 7.803 6.070 14.023 72 2HD ARG 9 1HD ARG 9 9.257 6.092 13.025 73 HE ARG 9 HE ARG 9 9.084 8.581 14.240 74 1HH1 ARG 9 1HH1 ARG 9 9.393 5.245 15.287 75 2HH1 ARG 9 2HH1 ARG 9 10.314 5.651 16.705 76 1HH2 ARG 9 1HH2 ARG 9 10.252 9.111 16.104 77 2HH2 ARG 9 2HH2 ARG 9 10.777 7.857 17.191 78 H ILE 10 H ILE 10 7.227 6.224 8.332 79 HA ILE 10 HA ILE 10 5.357 4.170 7.854 80 HB ILE 10 HB ILE 10 6.868 5.889 5.873 81 1HG1 ILE 10 2HG1 ILE 10 4.097 6.191 7.055 82 2HG1 ILE 10 1HG1 ILE 10 5.501 7.154 7.488 83 1HG2 ILE 10 1HG2 ILE 10 5.083 5.329 4.287 84 2HG2 ILE 10 2HG2 ILE 10 4.389 4.222 5.472 85 3HG2 ILE 10 3HG2 ILE 10 5.982 3.896 4.792 86 1HD1 ILE 10 1HD1 ILE 10 4.031 8.358 5.973 87 2HD1 ILE 10 2HD1 ILE 10 4.202 7.072 4.779 88 3HD1 ILE 10 3HD1 ILE 10 5.600 8.049 5.227 89 H LYS 11 H LYS 11 8.753 4.556 6.932 90 HA LYS 11 HA LYS 11 9.052 2.265 5.375 91 1HB LYS 11 2HB LYS 11 10.715 4.116 5.625 92 2HB LYS 11 1HB LYS 11 11.123 3.478 7.211 93 1HG LYS 11 2HG LYS 11 12.765 2.761 5.608 94 2HG LYS 11 1HG LYS 11 11.828 1.362 6.137 95 1HD LYS 11 2HD LYS 11 10.473 1.501 4.106 96 2HD LYS 11 1HD LYS 11 11.394 2.912 3.584 97 1HE LYS 11 2HE LYS 11 13.432 1.547 3.539 98 2HE LYS 11 1HE LYS 11 12.489 0.138 4.024 99 1HZ LYS 11 1HZ LYS 11 12.896 0.233 1.620 100 2HZ LYS 11 2HZ LYS 11 12.049 1.701 1.534 101 3HZ LYS 11 3HZ LYS 11 11.238 0.282 1.989 102 H TRP 12 H TRP 12 9.242 2.682 8.875 103 HA TRP 12 HA TRP 12 10.027 -0.010 9.408 104 1HB TRP 12 2HB TRP 12 8.920 2.204 11.115 105 2HB TRP 12 1HB TRP 12 9.192 0.593 11.766 106 HD1 TRP 12 HD TRP 12 11.450 2.843 9.531 107 HE1 TRP 12 1HE TRP 12 13.765 2.992 10.646 108 HE3 TRP 12 3HE TRP 12 10.502 0.070 13.723 109 HZ2 TRP 12 2HZ TRP 12 15.017 2.050 12.990 110 HZ3 TRP 12 3HZ TRP 12 12.318 -0.256 15.349 111 HH2 TRP 12 HH TRP 12 14.527 0.715 14.989 112 H ALA 13 H ALA 13 6.992 1.589 8.873 113 HA ALA 13 HA ALA 13 5.363 -0.502 9.974 114 1HB ALA 13 1HB ALA 13 4.589 1.810 9.896 115 2HB ALA 13 2HB ALA 13 3.495 0.734 9.028 116 3HB ALA 13 3HB ALA 13 4.614 1.763 8.133 117 H CYS 14 H CYS 14 7.107 -0.167 7.097 118 HA CYS 14 HA CYS 14 5.443 -1.680 5.363 119 1HB CYS 14 2HB CYS 14 8.448 -1.336 5.326 120 2HB CYS 14 1HB CYS 14 7.475 -1.974 4.007 121 HG CYS 14 HG CYS 14 8.207 0.552 3.251 122 H ARG 15 H ARG 15 7.663 -2.500 7.902 123 HA ARG 15 HA ARG 15 7.891 -5.265 7.076 124 1HB ARG 15 2HB ARG 15 9.822 -4.221 8.115 125 2HB ARG 15 1HB ARG 15 8.881 -3.833 9.547 126 1HG ARG 15 2HG ARG 15 8.605 -6.239 9.991 127 2HG ARG 15 1HG ARG 15 9.610 -6.592 8.586 128 1HD ARG 15 2HD ARG 15 10.497 -4.958 10.957 129 2HD ARG 15 1HD ARG 15 10.836 -6.675 10.744 130 HE ARG 15 HE ARG 15 12.053 -6.016 8.678 131 1HH1 ARG 15 1HH1 ARG 15 11.584 -3.693 11.268 132 2HH1 ARG 15 2HH1 ARG 15 12.997 -2.758 10.850 133 1HH2 ARG 15 1HH2 ARG 15 13.898 -4.792 8.139 134 2HH2 ARG 15 2HH2 ARG 15 14.294 -3.369 9.053 135 H ARG 16 H ARG 16 5.627 -5.762 7.111 136 HA ARG 16 HA ARG 16 4.665 -6.321 9.837 137 1HB ARG 16 2HB ARG 16 3.258 -5.510 7.366 138 2HB ARG 16 1HB ARG 16 2.467 -6.761 8.312 139 1HG ARG 16 2HG ARG 16 1.769 -4.395 8.797 140 2HG ARG 16 1HG ARG 16 2.265 -5.355 10.192 141 1HD ARG 16 2HD ARG 16 4.390 -4.280 10.267 142 2HD ARG 16 1HD ARG 16 4.104 -3.480 8.723 143 HE ARG 16 HE ARG 16 2.392 -2.151 9.842 144 1HH1 ARG 16 1HH1 ARG 16 4.594 -3.905 11.942 145 2HH1 ARG 16 2HH1 ARG 16 4.500 -2.732 13.222 146 1HH2 ARG 16 1HH2 ARG 16 2.271 -0.628 11.498 147 2HH2 ARG 16 2HH2 ARG 16 3.154 -0.869 12.974 148 H GLY 17 H GLY 17 3.659 -7.794 6.761 149 1HA GLY 17 2HA GLY 17 4.933 -10.297 7.698 150 2HA GLY 17 1HA GLY 17 3.309 -10.275 7.030 151 H MET 18 H MET 18 4.656 -8.039 5.206 152 HA MET 18 HA MET 18 5.915 -9.906 3.325 153 1HB MET 18 2HB MET 18 3.439 -9.716 2.911 154 2HB MET 18 1HB MET 18 3.688 -8.012 2.563 155 1HG MET 18 2HG MET 18 3.559 -9.146 0.495 156 2HG MET 18 1HG MET 18 5.246 -8.699 0.735 157 1HE MET 18 1HE MET 18 5.179 -12.168 -1.232 158 2HE MET 18 2HE MET 18 5.642 -10.470 -1.335 159 3HE MET 18 3HE MET 18 3.936 -10.916 -1.302 160 H LEU 19 H LEU 19 7.925 -8.936 3.382 161 HA LEU 19 HA LEU 19 8.417 -6.156 3.434 162 1HB LEU 19 2HB LEU 19 10.121 -8.462 2.505 163 2HB LEU 19 1HB LEU 19 10.698 -6.814 2.610 164 HG LEU 19 HG LEU 19 9.743 -8.503 4.921 165 1HD1 LEU 19 1HD1 LEU 19 12.497 -7.536 4.159 166 2HD1 LEU 19 2HD1 LEU 19 11.907 -9.192 4.022 167 3HD1 LEU 19 3HD1 LEU 19 12.080 -8.447 5.611 168 1HD2 LEU 19 1HD2 LEU 19 9.219 -6.136 5.250 169 2HD2 LEU 19 2HD2 LEU 19 10.891 -5.710 4.886 170 3HD2 LEU 19 3HD2 LEU 19 10.516 -6.657 6.325 171 H GLU 20 H GLU 20 7.789 -8.380 0.857 172 HA GLU 20 HA GLU 20 8.794 -6.872 -1.286 173 1HB GLU 20 2HB GLU 20 6.640 -8.980 -1.141 174 2HB GLU 20 1HB GLU 20 7.207 -8.288 -2.657 175 1HG GLU 20 2HG GLU 20 9.376 -9.166 -2.369 176 2HG GLU 20 1HG GLU 20 9.078 -9.553 -0.679 177 H LEU 21 H LEU 21 5.998 -6.404 0.659 178 HA LEU 21 HA LEU 21 4.476 -4.893 -1.232 179 1HB LEU 21 2HB LEU 21 4.376 -5.030 1.778 180 2HB LEU 21 1HB LEU 21 3.265 -4.071 0.816 181 HG LEU 21 HG LEU 21 3.545 -7.081 0.717 182 1HD1 LEU 21 1HD1 LEU 21 2.485 -6.284 2.761 183 2HD1 LEU 21 2HD1 LEU 21 1.313 -7.079 1.712 184 3HD1 LEU 21 3HD1 LEU 21 1.354 -5.319 1.812 185 1HD2 LEU 21 1HD2 LEU 21 2.954 -6.163 -1.461 186 2HD2 LEU 21 2HD2 LEU 21 1.647 -5.232 -0.729 187 3HD2 LEU 21 3HD2 LEU 21 1.576 -6.995 -0.741 188 H ASP 22 H ASP 22 7.072 -4.172 0.977 189 HA ASP 22 HA ASP 22 6.769 -1.468 1.450 190 1HB ASP 22 2HB ASP 22 8.510 -2.556 2.593 191 2HB ASP 22 1HB ASP 22 9.223 -3.185 1.117 192 H VAL 23 H VAL 23 8.040 -3.043 -1.409 193 HA VAL 23 HA VAL 23 9.036 -0.690 -2.652 194 HB VAL 23 HB VAL 23 8.269 -3.295 -3.973 195 1HG1 VAL 23 1HG1 VAL 23 8.617 -1.484 -5.556 196 2HG1 VAL 23 2HG1 VAL 23 9.931 -2.657 -5.660 197 3HG1 VAL 23 3HG1 VAL 23 10.180 -1.125 -4.824 198 1HG2 VAL 23 1HG2 VAL 23 10.628 -3.932 -3.689 199 2HG2 VAL 23 2HG2 VAL 23 9.801 -3.729 -2.144 200 3HG2 VAL 23 3HG2 VAL 23 10.891 -2.474 -2.730 201 H VAL 24 H VAL 24 5.918 -2.316 -2.684 202 HA VAL 24 HA VAL 24 5.050 -0.603 -4.901 203 HB VAL 24 HB VAL 24 3.137 -2.115 -5.152 204 1HG1 VAL 24 1HG1 VAL 24 5.125 -2.557 -6.451 205 2HG1 VAL 24 2HG1 VAL 24 4.383 -4.081 -5.964 206 3HG1 VAL 24 3HG1 VAL 24 5.819 -3.494 -5.126 207 1HG2 VAL 24 1HG2 VAL 24 2.911 -2.847 -2.833 208 2HG2 VAL 24 2HG2 VAL 24 4.431 -3.732 -2.953 209 3HG2 VAL 24 3HG2 VAL 24 3.043 -4.227 -3.922 210 H ILE 25 H ILE 25 5.011 -0.423 -1.646 211 HA ILE 25 HA ILE 25 2.284 0.673 -1.550 212 HB ILE 25 HB ILE 25 4.129 -0.093 0.717 213 1HG1 ILE 25 2HG1 ILE 25 3.122 -2.016 -0.394 214 2HG1 ILE 25 1HG1 ILE 25 2.405 -1.795 1.197 215 1HG2 ILE 25 1HG2 ILE 25 1.329 1.017 0.855 216 2HG2 ILE 25 2HG2 ILE 25 2.800 1.876 1.306 217 3HG2 ILE 25 3HG2 ILE 25 2.292 0.458 2.225 218 1HD1 ILE 25 1HD1 ILE 25 1.170 -0.974 -1.423 219 2HD1 ILE 25 2HD1 ILE 25 0.451 -0.763 0.174 220 3HD1 ILE 25 3HD1 ILE 25 0.734 -2.384 -0.456 221 H MET 26 H MET 26 5.548 1.475 -0.325 222 HA MET 26 HA MET 26 4.792 3.989 0.658 223 1HB MET 26 2HB MET 26 6.823 2.619 1.294 224 2HB MET 26 1HB MET 26 7.591 3.228 -0.163 225 1HG MET 26 2HG MET 26 6.489 5.051 1.951 226 2HG MET 26 1HG MET 26 8.125 4.401 2.021 227 1HE MET 26 1HE MET 26 9.707 5.918 -1.237 228 2HE MET 26 2HE MET 26 8.900 4.359 -1.074 229 3HE MET 26 3HE MET 26 9.991 4.920 0.192 230 HA PRO 27 HA PRO 27 6.789 6.044 -3.253 231 1HB PRO 27 2HB PRO 27 6.666 3.936 -5.311 232 2HB PRO 27 1HB PRO 27 7.987 5.037 -4.910 233 1HG PRO 27 2HG PRO 27 8.114 2.433 -4.313 234 2HG PRO 27 1HG PRO 27 8.801 3.667 -3.242 235 1HD PRO 27 2HD PRO 27 6.213 2.172 -2.994 236 2HD PRO 27 1HD PRO 27 7.404 2.580 -1.740 237 H PHE 28 H PHE 28 4.365 3.547 -3.745 238 HA PHE 28 HA PHE 28 2.875 4.911 -5.745 239 1HB PHE 28 2HB PHE 28 2.129 2.680 -3.844 240 2HB PHE 28 1HB PHE 28 1.065 3.273 -5.112 241 HD1 PHE 28 1HD PHE 28 4.728 2.516 -5.121 242 HD2 PHE 28 2HD PHE 28 0.874 1.627 -6.688 243 HE1 PHE 28 1HE PHE 28 5.743 0.935 -6.707 244 HE2 PHE 28 2HE PHE 28 1.882 0.048 -8.280 245 HZ PHE 28 HZ PHE 28 4.318 -0.301 -8.292 246 H PHE 29 H PHE 29 2.776 4.779 -2.249 247 HA PHE 29 HA PHE 29 0.387 6.226 -1.873 248 1HB PHE 29 2HB PHE 29 1.368 4.942 -0.060 249 2HB PHE 29 1HB PHE 29 2.809 5.953 -0.084 250 HD1 PHE 29 2HD PHE 29 -0.839 6.706 -0.093 251 HD2 PHE 29 1HD PHE 29 2.925 7.207 1.816 252 HE1 PHE 29 2HE PHE 29 -1.877 8.220 1.544 253 HE2 PHE 29 1HE PHE 29 1.900 8.724 3.455 254 HZ PHE 29 HZ PHE 29 -0.506 9.234 3.320 255 H GLU 30 H GLU 30 3.738 7.267 -2.307 256 HA GLU 30 HA GLU 30 3.387 9.975 -1.696 257 1HB GLU 30 2HB GLU 30 5.202 8.826 -3.824 258 2HB GLU 30 1HB GLU 30 5.375 10.388 -3.034 259 1HG GLU 30 2HG GLU 30 5.476 9.000 -0.870 260 2HG GLU 30 1HG GLU 30 5.845 7.655 -1.942 261 H GLU 31 H GLU 31 2.768 8.172 -4.608 262 HA GLU 31 HA GLU 31 2.000 10.438 -6.193 263 1HB GLU 31 2HB GLU 31 1.362 7.517 -6.630 264 2HB GLU 31 1HB GLU 31 1.240 8.799 -7.826 265 1HG GLU 31 2HG GLU 31 3.685 9.139 -7.642 266 2HG GLU 31 1HG GLU 31 3.755 7.753 -6.552 267 H CYS 32 H CYS 32 0.187 7.811 -4.600 268 HA CYS 32 HA CYS 32 -2.364 8.736 -5.377 269 1HB CYS 32 2HB CYS 32 -1.629 7.058 -2.972 270 2HB CYS 32 1HB CYS 32 -3.235 7.201 -3.678 271 HG CYS 32 HG CYS 32 -0.501 5.628 -4.964 272 H PHE 33 H PHE 33 -0.312 9.555 -2.688 273 HA PHE 33 HA PHE 33 -2.087 10.753 -0.935 274 1HB PHE 33 2HB PHE 33 0.166 10.370 -0.263 275 2HB PHE 33 1HB PHE 33 0.800 11.371 -1.559 276 HD1 PHE 33 1HD PHE 33 -1.263 11.512 1.535 277 HD2 PHE 33 2HD PHE 33 1.281 13.615 -1.155 278 HE1 PHE 33 1HE PHE 33 -1.226 13.431 3.073 279 HE2 PHE 33 2HE PHE 33 1.316 15.537 0.379 280 HZ PHE 33 HZ PHE 33 0.062 15.446 2.494 281 H ASP 34 H ASP 34 -0.694 12.024 -3.893 282 HA ASP 34 HA ASP 34 -1.358 14.717 -3.653 283 1HB ASP 34 2HB ASP 34 -0.018 14.097 -5.499 284 2HB ASP 34 1HB ASP 34 -1.167 12.875 -6.032 285 H SER 35 H SER 35 -3.347 11.970 -4.638 286 HA SER 35 HA SER 35 -5.635 13.735 -5.075 287 1HB SER 35 2HB SER 35 -5.433 10.747 -5.486 288 2HB SER 35 1HB SER 35 -6.703 11.817 -6.081 289 HG SER 35 HG SER 35 -4.404 12.812 -6.927 290 H LEU 36 H LEU 36 -4.260 12.184 -2.525 291 HA LEU 36 HA LEU 36 -6.808 11.574 -1.210 292 1HB LEU 36 2HB LEU 36 -3.960 11.100 -0.329 293 2HB LEU 36 1HB LEU 36 -5.372 10.695 0.625 294 HG LEU 36 HG LEU 36 -4.667 9.490 -2.054 295 1HD1 LEU 36 1HD1 LEU 36 -3.151 8.778 -0.285 296 2HD1 LEU 36 2HD1 LEU 36 -4.221 7.461 -0.767 297 3HD1 LEU 36 3HD1 LEU 36 -4.526 8.342 0.731 298 1HD2 LEU 36 1HD2 LEU 36 -7.077 9.589 -1.694 299 2HD2 LEU 36 2HD2 LEU 36 -6.883 8.830 -0.115 300 3HD2 LEU 36 3HD2 LEU 36 -6.493 7.929 -1.581 301 H THR 37 H THR 37 -7.547 12.670 0.541 302 HA THR 37 HA THR 37 -6.363 15.266 1.102 303 HB THR 37 HB THR 37 -8.348 15.465 2.677 304 HG1 THR 37 1HG THR 37 -9.106 13.040 1.349 305 1HG2 THR 37 1HG2 THR 37 -8.378 16.411 0.419 306 2HG2 THR 37 2HG2 THR 37 -9.965 15.787 0.867 307 3HG2 THR 37 3HG2 THR 37 -8.932 14.865 -0.226 308 H GLU 38 H GLU 38 -6.212 15.920 3.505 309 HA GLU 38 HA GLU 38 -4.347 14.365 4.856 310 1HB GLU 38 2HB GLU 38 -6.258 16.456 5.888 311 2HB GLU 38 1HB GLU 38 -5.010 15.727 6.888 312 1HG GLU 38 2HG GLU 38 -4.496 17.228 4.333 313 2HG GLU 38 1HG GLU 38 -4.385 17.920 5.949 314 H SER 39 H SER 39 -7.855 14.425 5.186 315 HA SER 39 HA SER 39 -8.163 12.731 7.371 316 1HB SER 39 2HB SER 39 -9.994 12.666 4.982 317 2HB SER 39 1HB SER 39 -10.404 12.562 6.693 318 HG SER 39 HG SER 39 -10.348 14.678 6.861 319 H GLU 40 H GLU 40 -7.940 11.956 3.914 320 HA GLU 40 HA GLU 40 -8.146 9.136 4.255 321 1HB GLU 40 2HB GLU 40 -7.118 10.798 1.948 322 2HB GLU 40 1HB GLU 40 -7.420 9.066 1.877 323 1HG GLU 40 2HG GLU 40 -9.748 9.364 2.167 324 2HG GLU 40 1HG GLU 40 -9.543 11.060 2.597 325 H GLN 41 H GLN 41 -5.513 11.431 4.036 326 HA GLN 41 HA GLN 41 -3.331 9.709 3.890 327 1HB GLN 41 2HB GLN 41 -2.530 11.795 3.682 328 2HB GLN 41 1HB GLN 41 -3.881 12.491 4.554 329 1HG GLN 41 2HG GLN 41 -2.213 13.110 5.929 330 2HG GLN 41 1HG GLN 41 -2.556 11.535 6.633 331 1HE2 GLN 41 1HE2 GLN 41 -1.321 10.018 4.521 332 2HE2 GLN 41 2HE2 GLN 41 0.384 10.241 4.678 333 H ASP 42 H ASP 42 -5.181 10.851 6.675 334 HA ASP 42 HA ASP 42 -3.653 9.575 8.683 335 1HB ASP 42 2HB ASP 42 -5.234 11.375 9.181 336 2HB ASP 42 1HB ASP 42 -6.574 10.372 8.642 337 H ASP 43 H ASP 43 -6.565 8.592 6.926 338 HA ASP 43 HA ASP 43 -6.993 6.126 8.165 339 1HB ASP 43 2HB ASP 43 -7.804 7.369 5.609 340 2HB ASP 43 1HB ASP 43 -7.864 5.611 5.651 341 H PHE 44 H PHE 44 -4.925 6.952 5.423 342 HA PHE 44 HA PHE 44 -4.210 4.286 4.766 343 1HB PHE 44 2HB PHE 44 -3.961 6.313 3.270 344 2HB PHE 44 1HB PHE 44 -2.561 6.763 4.236 345 HD1 PHE 44 1HD PHE 44 -0.559 5.264 4.267 346 HD2 PHE 44 2HD PHE 44 -3.827 4.661 1.609 347 HE1 PHE 44 1HE PHE 44 0.857 3.836 2.854 348 HE2 PHE 44 2HE PHE 44 -2.413 3.232 0.195 349 HZ PHE 44 HZ PHE 44 -0.069 2.817 0.816 350 H VAL 45 H VAL 45 -2.611 6.777 6.743 351 HA VAL 45 HA VAL 45 -0.326 5.282 7.394 352 HB VAL 45 HB VAL 45 -1.698 7.439 9.017 353 1HG1 VAL 45 1HG1 VAL 45 0.436 7.686 10.190 354 2HG1 VAL 45 2HG1 VAL 45 1.093 6.319 9.293 355 3HG1 VAL 45 3HG1 VAL 45 -0.230 6.072 10.433 356 1HG2 VAL 45 1HG2 VAL 45 -0.961 8.192 6.820 357 2HG2 VAL 45 2HG2 VAL 45 0.650 7.542 7.128 358 3HG2 VAL 45 3HG2 VAL 45 0.046 8.893 8.088 359 H ALA 46 H ALA 46 -3.469 5.548 9.000 360 HA ALA 46 HA ALA 46 -2.986 3.925 11.213 361 1HB ALA 46 1HB ALA 46 -5.396 3.588 11.295 362 2HB ALA 46 2HB ALA 46 -5.546 4.180 9.641 363 3HB ALA 46 3HB ALA 46 -5.012 5.269 10.923 364 H LEU 47 H LEU 47 -3.784 3.051 7.898 365 HA LEU 47 HA LEU 47 -4.251 0.307 8.309 366 1HB LEU 47 2HB LEU 47 -3.274 1.838 5.907 367 2HB LEU 47 1HB LEU 47 -3.600 0.119 5.865 368 HG LEU 47 HG LEU 47 -5.640 2.246 6.512 369 1HD1 LEU 47 1HD1 LEU 47 -6.576 1.687 4.309 370 2HD1 LEU 47 2HD1 LEU 47 -5.198 0.628 4.006 371 3HD1 LEU 47 3HD1 LEU 47 -4.951 2.365 4.185 372 1HD2 LEU 47 1HD2 LEU 47 -7.252 0.427 6.327 373 2HD2 LEU 47 2HD2 LEU 47 -6.077 0.094 7.601 374 3HD2 LEU 47 3HD2 LEU 47 -5.941 -0.718 6.042 375 H LEU 48 H LEU 48 -1.293 2.096 7.534 376 HA LEU 48 HA LEU 48 0.342 -0.221 7.299 377 1HB LEU 48 2HB LEU 48 1.091 2.655 7.811 378 2HB LEU 48 1HB LEU 48 2.226 1.379 7.410 379 HG LEU 48 HG LEU 48 0.002 2.379 5.627 380 1HD1 LEU 48 1HD1 LEU 48 1.849 3.233 4.240 381 2HD1 LEU 48 2HD1 LEU 48 2.987 2.774 5.507 382 3HD1 LEU 48 3HD1 LEU 48 1.767 4.009 5.820 383 1HD2 LEU 48 1HD2 LEU 48 0.459 0.006 5.281 384 2HD2 LEU 48 2HD2 LEU 48 2.178 0.357 5.092 385 3HD2 LEU 48 3HD2 LEU 48 1.017 0.968 3.914 386 H GLU 49 H GLU 49 -0.689 1.736 9.964 387 HA GLU 49 HA GLU 49 1.289 0.825 11.810 388 1HB GLU 49 2HB GLU 49 -1.357 2.224 12.151 389 2HB GLU 49 1HB GLU 49 -0.369 1.738 13.524 390 1HG GLU 49 2HG GLU 49 0.583 3.530 11.302 391 2HG GLU 49 1HG GLU 49 -0.065 4.103 12.840 392 H SER 50 H SER 50 -1.466 -0.589 10.460 393 HA SER 50 HA SER 50 -1.763 -2.499 12.651 394 1HB SER 50 2HB SER 50 -3.765 -1.460 11.446 395 2HB SER 50 1HB SER 50 -3.308 -2.431 10.049 396 HG SER 50 HG SER 50 -4.285 -3.249 12.555 397 H ASP 51 H ASP 51 -2.401 -4.786 11.252 398 HA ASP 51 HA ASP 51 0.195 -5.552 10.163 399 1HB ASP 51 2HB ASP 51 -1.064 -6.856 12.001 400 2HB ASP 51 1HB ASP 51 -2.127 -7.402 10.709 401 H ASP 52 H ASP 52 -0.291 -7.503 8.344 402 HA ASP 52 HA ASP 52 -2.004 -6.134 6.368 403 1HB ASP 52 2HB ASP 52 -0.362 -6.816 4.624 404 2HB ASP 52 1HB ASP 52 0.283 -5.680 5.797 405 HA PRO 53 HA PRO 53 -2.902 -10.751 6.355 406 1HB PRO 53 2HB PRO 53 -5.291 -10.576 7.901 407 2HB PRO 53 1HB PRO 53 -3.765 -11.326 8.366 408 1HG PRO 53 2HG PRO 53 -4.857 -9.052 9.531 409 2HG PRO 53 1HG PRO 53 -3.159 -9.547 9.642 410 1HD PRO 53 2HD PRO 53 -4.431 -7.514 7.861 411 2HD PRO 53 1HD PRO 53 -2.840 -7.488 8.651 412 H ASP 54 H ASP 54 -5.666 -8.518 6.735 413 HA ASP 54 HA ASP 54 -7.124 -9.655 4.579 414 1HB ASP 54 2HB ASP 54 -8.215 -8.431 6.435 415 2HB ASP 54 1HB ASP 54 -7.464 -6.940 5.874 416 H LEU 55 H LEU 55 -4.934 -6.937 4.902 417 HA LEU 55 HA LEU 55 -5.345 -5.708 2.428 418 1HB LEU 55 2HB LEU 55 -3.970 -4.882 4.404 419 2HB LEU 55 1HB LEU 55 -2.687 -5.931 3.842 420 HG LEU 55 HG LEU 55 -3.843 -3.801 2.057 421 1HD1 LEU 55 1HD1 LEU 55 -1.544 -3.490 3.988 422 2HD1 LEU 55 2HD1 LEU 55 -3.129 -2.736 4.156 423 3HD1 LEU 55 3HD1 LEU 55 -2.084 -2.299 2.804 424 1HD2 LEU 55 1HD2 LEU 55 -1.652 -3.932 0.989 425 2HD2 LEU 55 2HD2 LEU 55 -2.434 -5.512 1.013 426 3HD2 LEU 55 3HD2 LEU 55 -1.144 -5.149 2.160 427 H PHE 56 H PHE 56 -3.102 -8.316 3.357 428 HA PHE 56 HA PHE 56 -1.886 -8.721 0.880 429 1HB PHE 56 2HB PHE 56 -1.274 -9.755 3.117 430 2HB PHE 56 1HB PHE 56 -2.593 -10.888 2.863 431 HD1 PHE 56 2HD PHE 56 0.602 -9.698 1.426 432 HD2 PHE 56 1HD PHE 56 -2.277 -12.826 1.590 433 HE1 PHE 56 2HE PHE 56 2.116 -11.151 0.145 434 HE2 PHE 56 1HE PHE 56 -0.762 -14.293 0.317 435 HZ PHE 56 HZ PHE 56 1.434 -13.452 -0.411 436 H ALA 57 H ALA 57 -5.000 -9.743 2.109 437 HA ALA 57 HA ALA 57 -5.540 -11.627 0.030 438 1HB ALA 57 1HB ALA 57 -7.797 -11.690 0.951 439 2HB ALA 57 2HB ALA 57 -7.428 -10.297 1.968 440 3HB ALA 57 3HB ALA 57 -6.584 -11.827 2.222 441 H TRP 58 H TRP 58 -6.099 -8.176 0.421 442 HA TRP 58 HA TRP 58 -7.937 -7.964 -1.729 443 1HB TRP 58 2HB TRP 58 -6.242 -5.952 -0.295 444 2HB TRP 58 1HB TRP 58 -7.119 -5.506 -1.757 445 HD1 TRP 58 HD TRP 58 -7.804 -7.008 1.693 446 HE1 TRP 58 1HE TRP 58 -10.154 -6.314 2.453 447 HE3 TRP 58 3HE TRP 58 -9.309 -4.578 -2.545 448 HZ2 TRP 58 2HZ TRP 58 -12.379 -4.932 1.366 449 HZ3 TRP 58 3HZ TRP 58 -11.576 -3.610 -2.605 450 HH2 TRP 58 HH TRP 58 -13.073 -3.787 -0.689 451 H VAL 59 H VAL 59 -4.455 -7.856 -1.469 452 HA VAL 59 HA VAL 59 -3.934 -7.040 -4.137 453 HB VAL 59 HB VAL 59 -2.164 -8.646 -2.284 454 1HG1 VAL 59 1HG1 VAL 59 -1.459 -6.961 -4.685 455 2HG1 VAL 59 2HG1 VAL 59 -1.429 -8.722 -4.618 456 3HG1 VAL 59 3HG1 VAL 59 -0.314 -7.784 -3.624 457 1HG2 VAL 59 1HG2 VAL 59 -2.872 -6.557 -1.249 458 2HG2 VAL 59 2HG2 VAL 59 -2.365 -5.661 -2.680 459 3HG2 VAL 59 3HG2 VAL 59 -1.165 -6.487 -1.686 460 H MET 60 H MET 60 -4.587 -10.127 -2.632 461 HA MET 60 HA MET 60 -4.047 -11.598 -5.072 462 1HB MET 60 2HB MET 60 -5.275 -12.482 -2.454 463 2HB MET 60 1HB MET 60 -4.930 -13.552 -3.809 464 1HG MET 60 2HG MET 60 -2.535 -12.925 -3.617 465 2HG MET 60 1HG MET 60 -2.940 -12.002 -2.169 466 1HE MET 60 1HE MET 60 -5.220 -13.882 -0.920 467 2HE MET 60 2HE MET 60 -3.954 -13.138 0.057 468 3HE MET 60 3HE MET 60 -4.273 -14.867 0.196 469 H GLY 61 H GLY 61 -6.613 -9.853 -3.711 470 1HA GLY 61 2HA GLY 61 -8.531 -9.205 -4.868 471 2HA GLY 61 1HA GLY 61 -8.252 -10.501 -6.017 472 H HIS 62 H HIS 62 -8.575 -10.668 -2.469 473 HA HIS 62 HA HIS 62 -11.263 -11.700 -2.671 474 1HB HIS 62 2HB HIS 62 -9.453 -13.605 -3.117 475 2HB HIS 62 1HB HIS 62 -9.387 -13.612 -1.357 476 HD1 HIS 62 1HD HIS 62 -10.723 -15.677 -3.637 477 HD2 HIS 62 2HD HIS 62 -12.561 -13.413 -0.671 478 HE1 HIS 62 1HE HIS 62 -12.929 -16.794 -3.201 479 HE2 HIS 62 2HE HIS 62 -14.110 -15.282 -1.569 480 H GLY 63 H GLY 63 -9.939 -9.503 -1.332 481 1HA GLY 63 2HA GLY 63 -10.009 -10.304 1.485 482 2HA GLY 63 1HA GLY 63 -9.344 -8.800 0.861 483 H ARG 64 H ARG 64 -10.909 -8.525 2.966 484 HA ARG 64 HA ARG 64 -13.167 -7.077 1.910 485 1HB ARG 64 2HB ARG 64 -14.773 -8.201 3.497 486 2HB ARG 64 1HB ARG 64 -14.275 -9.168 2.118 487 1HG ARG 64 2HG ARG 64 -12.638 -10.322 3.565 488 2HG ARG 64 1HG ARG 64 -13.250 -9.399 4.939 489 1HD ARG 64 2HD ARG 64 -15.476 -10.370 4.587 490 2HD ARG 64 1HD ARG 64 -14.846 -11.301 3.228 491 HE ARG 64 HE ARG 64 -13.640 -11.666 5.884 492 1HH1 ARG 64 1HH1 ARG 64 -15.551 -12.922 3.216 493 2HH1 ARG 64 2HH1 ARG 64 -15.467 -14.566 3.782 494 1HH2 ARG 64 1HH2 ARG 64 -13.563 -13.835 6.621 495 2HH2 ARG 64 2HH2 ARG 64 -14.383 -15.076 5.719 496 H CYS 65 H CYS 65 -12.265 -5.234 2.740 497 HA CYS 65 HA CYS 65 -11.382 -5.046 5.452 498 1HB CYS 65 2HB CYS 65 -11.893 -2.935 3.353 499 2HB CYS 65 1HB CYS 65 -11.259 -2.582 4.957 500 HG CYS 65 HG CYS 65 -9.351 -4.911 3.849 501 H GLU 66 H GLU 66 -12.275 -3.451 6.972 502 HA GLU 66 HA GLU 66 -14.943 -3.976 7.605 503 1HB GLU 66 2HB GLU 66 -13.217 -1.659 8.497 504 2HB GLU 66 1HB GLU 66 -14.697 -2.195 9.284 505 1HG GLU 66 2HG GLU 66 -12.161 -3.792 9.000 506 2HG GLU 66 1HG GLU 66 -12.734 -2.994 10.466 507 H ASN 67 H ASN 67 -13.502 -1.085 6.127 508 HA ASN 67 HA ASN 67 -16.120 -0.521 4.944 509 1HB ASN 67 2HB ASN 67 -15.852 1.880 5.307 510 2HB ASN 67 1HB ASN 67 -15.854 1.020 6.841 511 1HD2 ASN 67 1HD2 ASN 67 -14.785 3.657 6.053 512 2HD2 ASN 67 2HD2 ASN 67 -13.119 3.635 6.547 513 H LEU 68 H LEU 68 -16.010 0.749 2.980 514 HA LEU 68 HA LEU 68 -13.849 -0.190 1.352 515 1HB LEU 68 2HB LEU 68 -16.237 1.533 0.730 516 2HB LEU 68 1HB LEU 68 -15.058 1.047 -0.471 517 HG LEU 68 HG LEU 68 -16.928 -0.739 1.075 518 1HD1 LEU 68 1HD1 LEU 68 -16.633 -0.191 -1.871 519 2HD1 LEU 68 2HD1 LEU 68 -17.916 0.421 -0.827 520 3HD1 LEU 68 3HD1 LEU 68 -17.777 -1.311 -1.134 521 1HD2 LEU 68 1HD2 LEU 68 -14.727 -1.526 -0.831 522 2HD2 LEU 68 2HD2 LEU 68 -15.933 -2.612 -0.141 523 3HD2 LEU 68 3HD2 LEU 68 -14.750 -1.826 0.907 524 H GLY 69 H GLY 69 -14.495 2.691 3.079 525 1HA GLY 69 2HA GLY 69 -12.993 4.576 1.693 526 2HA GLY 69 1HA GLY 69 -13.154 4.525 3.443 527 H LEU 70 H LEU 70 -11.858 2.226 4.116 528 HA LEU 70 HA LEU 70 -9.113 2.913 3.801 529 1HB LEU 70 2HB LEU 70 -10.465 0.476 4.955 530 2HB LEU 70 1HB LEU 70 -8.732 0.726 4.988 531 HG LEU 70 HG LEU 70 -10.769 2.513 6.322 532 1HD1 LEU 70 1HD1 LEU 70 -8.830 0.528 7.505 533 2HD1 LEU 70 2HD1 LEU 70 -10.575 0.313 7.390 534 3HD1 LEU 70 3HD1 LEU 70 -9.910 1.593 8.405 535 1HD2 LEU 70 1HD2 LEU 70 -8.790 3.729 5.602 536 2HD2 LEU 70 2HD2 LEU 70 -7.756 2.535 6.385 537 3HD2 LEU 70 3HD2 LEU 70 -8.814 3.558 7.357 538 H ALA 71 H ALA 71 -11.290 0.690 2.241 539 HA ALA 71 HA ALA 71 -9.343 -0.942 0.987 540 1HB ALA 71 1HB ALA 71 -11.173 -1.788 -0.351 541 2HB ALA 71 2HB ALA 71 -12.195 -0.442 0.153 542 3HB ALA 71 3HB ALA 71 -11.671 -1.641 1.335 543 H ALA 72 H ALA 72 -10.861 2.087 0.157 544 HA ALA 72 HA ALA 72 -10.257 2.191 -2.574 545 1HB ALA 72 1HB ALA 72 -10.539 4.605 -2.364 546 2HB ALA 72 2HB ALA 72 -10.446 4.471 -0.608 547 3HB ALA 72 3HB ALA 72 -11.793 3.738 -1.480 548 H MET 73 H MET 73 -8.306 2.783 0.255 549 HA MET 73 HA MET 73 -6.160 4.135 -1.003 550 1HB MET 73 2HB MET 73 -5.924 2.298 1.387 551 2HB MET 73 1HB MET 73 -4.899 3.667 0.983 552 1HG MET 73 2HG MET 73 -7.779 3.788 1.835 553 2HG MET 73 1HG MET 73 -6.380 4.200 2.822 554 1HE MET 73 1HE MET 73 -7.772 6.462 3.331 555 2HE MET 73 2HE MET 73 -9.028 6.014 2.176 556 3HE MET 73 3HE MET 73 -8.265 7.600 2.076 557 H VAL 74 H VAL 74 -6.717 0.721 -0.225 558 HA VAL 74 HA VAL 74 -4.354 -0.267 -1.423 559 HB VAL 74 HB VAL 74 -6.968 -1.742 -1.049 560 1HG1 VAL 74 1HG1 VAL 74 -5.393 -2.908 -2.493 561 2HG1 VAL 74 2HG1 VAL 74 -5.558 -3.742 -0.948 562 3HG1 VAL 74 3HG1 VAL 74 -4.134 -2.752 -1.267 563 1HG2 VAL 74 1HG2 VAL 74 -6.054 -2.483 1.107 564 2HG2 VAL 74 2HG2 VAL 74 -6.285 -0.734 1.052 565 3HG2 VAL 74 3HG2 VAL 74 -4.669 -1.417 0.875 566 H ASP 75 H ASP 75 -7.617 0.307 -2.585 567 HA ASP 75 HA ASP 75 -7.562 -0.914 -5.069 568 1HB ASP 75 2HB ASP 75 -9.582 0.073 -4.125 569 2HB ASP 75 1HB ASP 75 -8.881 1.681 -4.246 570 H LYS 76 H LYS 76 -6.520 2.364 -4.203 571 HA LYS 76 HA LYS 76 -5.811 3.133 -6.832 572 1HB LYS 76 2HB LYS 76 -4.893 4.234 -4.173 573 2HB LYS 76 1HB LYS 76 -4.658 5.022 -5.728 574 1HG LYS 76 2HG LYS 76 -7.131 5.039 -6.011 575 2HG LYS 76 1HG LYS 76 -7.268 4.431 -4.361 576 1HD LYS 76 2HD LYS 76 -6.096 6.415 -3.536 577 2HD LYS 76 1HD LYS 76 -5.973 7.026 -5.189 578 1HE LYS 76 2HE LYS 76 -8.493 6.879 -5.291 579 2HE LYS 76 1HE LYS 76 -8.457 6.589 -3.552 580 1HZ LYS 76 1HZ LYS 76 -8.833 8.923 -4.086 581 2HZ LYS 76 2HZ LYS 76 -7.357 8.986 -4.918 582 3HZ LYS 76 3HZ LYS 76 -7.377 8.714 -3.246 583 H ILE 77 H ILE 77 -4.033 1.630 -4.210 584 HA ILE 77 HA ILE 77 -1.468 1.735 -5.412 585 HB ILE 77 HB ILE 77 -2.591 -0.244 -3.420 586 1HG1 ILE 77 2HG1 ILE 77 -0.846 2.195 -3.015 587 2HG1 ILE 77 1HG1 ILE 77 -2.574 2.122 -2.681 588 1HG2 ILE 77 1HG2 ILE 77 -0.669 -1.200 -4.542 589 2HG2 ILE 77 2HG2 ILE 77 -0.238 -0.753 -2.892 590 3HG2 ILE 77 3HG2 ILE 77 0.268 0.264 -4.242 591 1HD1 ILE 77 1HD1 ILE 77 -1.304 1.903 -0.642 592 2HD1 ILE 77 2HD1 ILE 77 -0.423 0.526 -1.308 593 3HD1 ILE 77 3HD1 ILE 77 -2.153 0.398 -0.989 594 H VAL 78 H VAL 78 -3.994 -0.760 -5.354 595 HA VAL 78 HA VAL 78 -2.656 -2.634 -6.967 596 HB VAL 78 HB VAL 78 -5.633 -2.244 -6.570 597 1HG1 VAL 78 1HG1 VAL 78 -4.125 -4.597 -7.712 598 2HG1 VAL 78 2HG1 VAL 78 -5.217 -3.529 -8.594 599 3HG1 VAL 78 3HG1 VAL 78 -5.845 -4.576 -7.321 600 1HG2 VAL 78 1HG2 VAL 78 -3.684 -4.140 -5.252 601 2HG2 VAL 78 2HG2 VAL 78 -5.422 -4.071 -4.960 602 3HG2 VAL 78 3HG2 VAL 78 -4.397 -2.710 -4.504 603 H ALA 79 H ALA 79 -4.768 0.080 -7.791 604 HA ALA 79 HA ALA 79 -5.097 -0.438 -10.515 605 1HB ALA 79 1HB ALA 79 -5.562 1.937 -10.759 606 2HB ALA 79 2HB ALA 79 -4.831 2.258 -9.186 607 3HB ALA 79 3HB ALA 79 -6.313 1.309 -9.293 608 H HIS 80 H HIS 80 -2.491 1.243 -8.808 609 HA HIS 80 HA HIS 80 -0.994 1.873 -11.146 610 1HB HIS 80 2HB HIS 80 -0.421 1.858 -8.205 611 2HB HIS 80 1HB HIS 80 0.883 2.083 -9.353 612 HD1 HIS 80 1HD HIS 80 -2.155 3.786 -7.958 613 HD2 HIS 80 2HD HIS 80 0.958 4.559 -10.611 614 HE1 HIS 80 1HE HIS 80 -2.229 6.267 -8.397 615 HE2 HIS 80 2HE HIS 80 -0.291 6.720 -9.949 616 H ASN 81 H ASN 81 -0.866 -0.693 -8.726 617 HA ASN 81 HA ASN 81 1.485 -1.935 -9.659 618 1HB ASN 81 2HB ASN 81 0.510 -2.300 -7.406 619 2HB ASN 81 1HB ASN 81 -0.817 -3.188 -8.143 620 1HD2 ASN 81 1HD2 ASN 81 -0.355 -5.093 -7.085 621 2HD2 ASN 81 2HD2 ASN 81 1.041 -6.046 -7.436 622 H LEU 82 H LEU 82 -1.903 -2.352 -10.495 623 HA LEU 82 HA LEU 82 -1.836 -4.757 -11.867 624 1HB LEU 82 2HB LEU 82 -3.853 -3.385 -11.314 625 2HB LEU 82 1HB LEU 82 -3.431 -2.312 -12.630 626 HG LEU 82 HG LEU 82 -3.690 -4.196 -14.218 627 1HD1 LEU 82 1HD1 LEU 82 -4.788 -6.244 -13.471 628 2HD1 LEU 82 2HD1 LEU 82 -4.716 -5.681 -11.801 629 3HD1 LEU 82 3HD1 LEU 82 -3.227 -6.029 -12.679 630 1HD2 LEU 82 1HD2 LEU 82 -6.136 -4.276 -14.128 631 2HD2 LEU 82 2HD2 LEU 82 -5.533 -2.646 -13.838 632 3HD2 LEU 82 3HD2 LEU 82 -6.100 -3.630 -12.487 633 H SER 83 H SER 83 -1.003 -1.526 -12.965 634 HA SER 83 HA SER 83 -0.642 -2.225 -15.688 635 1HB SER 83 2HB SER 83 -0.964 0.122 -14.781 636 2HB SER 83 1HB SER 83 0.708 0.062 -14.224 637 HG SER 83 HG SER 83 1.420 0.159 -16.246 638 H LYS 84 H LYS 84 1.538 -2.144 -12.902 639 HA LYS 84 HA LYS 84 3.863 -2.854 -14.390 640 1HB LYS 84 2HB LYS 84 3.236 -3.165 -11.450 641 2HB LYS 84 1HB LYS 84 4.813 -3.467 -12.167 642 1HG LYS 84 2HG LYS 84 4.835 -1.108 -12.956 643 2HG LYS 84 1HG LYS 84 3.345 -0.843 -12.050 644 1HD LYS 84 2HD LYS 84 4.480 -1.444 -9.979 645 2HD LYS 84 1HD LYS 84 5.967 -1.767 -10.872 646 1HE LYS 84 2HE LYS 84 4.568 0.888 -10.581 647 2HE LYS 84 1HE LYS 84 6.093 0.419 -9.837 648 1HZ LYS 84 1HZ LYS 84 6.874 0.081 -12.247 649 2HZ LYS 84 2HZ LYS 84 6.733 1.667 -11.664 650 3HZ LYS 84 3HZ LYS 84 5.530 1.031 -12.671 651 H VAL 85 H VAL 85 1.261 -4.608 -12.897 652 HA VAL 85 HA VAL 85 2.405 -7.202 -13.047 653 HB VAL 85 HB VAL 85 -0.483 -6.304 -12.914 654 1HG1 VAL 85 1HG1 VAL 85 0.616 -9.099 -12.603 655 2HG1 VAL 85 2HG1 VAL 85 -0.374 -8.522 -13.945 656 3HG1 VAL 85 3HG1 VAL 85 -1.052 -8.605 -12.318 657 1HG2 VAL 85 1HG2 VAL 85 0.825 -5.761 -10.939 658 2HG2 VAL 85 2HG2 VAL 85 1.381 -7.431 -10.828 659 3HG2 VAL 85 3HG2 VAL 85 -0.323 -7.050 -10.579 660 H ARG 86 H ARG 86 0.475 -5.259 -15.270 661 HA ARG 86 HA ARG 86 0.340 -7.382 -17.214 662 1HB ARG 86 2HB ARG 86 -0.783 -5.781 -18.647 663 2HB ARG 86 1HB ARG 86 -1.455 -5.709 -17.028 664 1HG ARG 86 2HG ARG 86 -0.289 -3.679 -16.564 665 2HG ARG 86 1HG ARG 86 0.566 -3.772 -18.106 666 1HD ARG 86 2HD ARG 86 -2.426 -3.576 -17.824 667 2HD ARG 86 1HD ARG 86 -1.362 -2.198 -18.103 668 HE ARG 86 HE ARG 86 -0.695 -3.839 -20.123 669 1HH1 ARG 86 1HH1 ARG 86 -3.827 -2.800 -18.941 670 2HH1 ARG 86 2HH1 ARG 86 -4.562 -2.791 -20.520 671 1HH2 ARG 86 1HH2 ARG 86 -1.659 -3.872 -22.181 672 2HH2 ARG 86 2HH2 ARG 86 -3.324 -3.389 -22.364 673 H LEU 87 H LEU 87 2.342 -4.601 -16.583 674 HA LEU 87 HA LEU 87 3.837 -4.495 -18.939 675 1HB LEU 87 2HB LEU 87 3.869 -2.975 -16.837 676 2HB LEU 87 1HB LEU 87 5.033 -4.116 -16.203 677 HG LEU 87 HG LEU 87 5.435 -2.633 -18.798 678 1HD1 LEU 87 1HD1 LEU 87 5.217 -1.041 -16.963 679 2HD1 LEU 87 2HD1 LEU 87 6.878 -1.118 -17.551 680 3HD1 LEU 87 3HD1 LEU 87 6.437 -1.925 -16.046 681 1HD2 LEU 87 1HD2 LEU 87 7.364 -4.082 -16.981 682 2HD2 LEU 87 2HD2 LEU 87 7.789 -3.207 -18.453 683 3HD2 LEU 87 3HD2 LEU 87 6.788 -4.655 -18.546 684 H GLU 88 H GLU 88 4.534 -6.257 -15.919 685 HA GLU 88 HA GLU 88 6.173 -8.131 -17.477 686 1HB GLU 88 2HB GLU 88 6.082 -7.475 -14.543 687 2HB GLU 88 1HB GLU 88 6.801 -8.972 -15.117 688 1HG GLU 88 2HG GLU 88 8.293 -7.567 -16.574 689 2HG GLU 88 1HG GLU 88 7.680 -6.159 -15.703 690 H HIS 89 H HIS 89 4.189 -9.018 -18.376 691 HA HIS 89 HA HIS 89 2.380 -10.363 -16.577 692 1HB HIS 89 2HB HIS 89 1.627 -9.313 -18.722 693 2HB HIS 89 1HB HIS 89 2.520 -10.550 -19.598 694 HD1 HIS 89 1HD HIS 89 -0.578 -10.027 -17.537 695 HD2 HIS 89 2HD HIS 89 1.289 -13.050 -19.709 696 HE1 HIS 89 1HE HIS 89 -2.281 -11.861 -17.757 697 HE2 HIS 89 2HE HIS 89 -1.129 -13.697 -19.045 698 H HIS 90 H HIS 90 4.055 -11.618 -15.558 699 HA HIS 90 HA HIS 90 4.261 -14.220 -16.858 700 1HB HIS 90 2HB HIS 90 6.592 -14.533 -16.168 701 2HB HIS 90 1HB HIS 90 6.446 -13.169 -17.265 702 HD1 HIS 90 1HD HIS 90 7.513 -14.101 -13.836 703 HD2 HIS 90 2HD HIS 90 6.919 -10.637 -16.069 704 HE1 HIS 90 1HE HIS 90 8.633 -12.251 -12.542 705 HE2 HIS 90 2HE HIS 90 8.442 -10.213 -14.020 706 H HIS 91 H HIS 91 5.385 -15.730 -14.978 707 HA HIS 91 HA HIS 91 3.312 -15.999 -13.107 708 1HB HIS 91 2HB HIS 91 6.102 -17.156 -13.074 709 2HB HIS 91 1HB HIS 91 4.821 -17.628 -11.962 710 HD1 HIS 91 1HD HIS 91 6.375 -18.949 -14.738 711 HD2 HIS 91 2HD HIS 91 2.372 -18.288 -13.827 712 HE1 HIS 91 1HE HIS 91 5.077 -20.493 -16.234 713 HE2 HIS 91 2HE HIS 91 2.658 -19.920 -15.815 714 H HIS 92 H HIS 92 2.913 -15.113 -11.210 715 HA HIS 92 HA HIS 92 5.062 -13.556 -9.924 716 1HB HIS 92 2HB HIS 92 2.061 -13.228 -9.711 717 2HB HIS 92 1HB HIS 92 3.240 -12.298 -8.793 718 HD1 HIS 92 1HD HIS 92 1.339 -12.240 -11.859 719 HD2 HIS 92 2HD HIS 92 5.004 -10.718 -10.597 720 HE1 HIS 92 1HE HIS 92 1.926 -10.422 -13.500 721 HE2 HIS 92 2HE HIS 92 4.199 -9.603 -12.790 722 H HIS 93 H HIS 93 2.708 -16.070 -9.574 723 HA HIS 93 HA HIS 93 3.272 -16.493 -6.769 724 1HB HIS 93 2HB HIS 93 1.062 -17.100 -7.669 725 2HB HIS 93 1HB HIS 93 1.817 -18.233 -8.783 726 HD1 HIS 93 1HD HIS 93 2.476 -20.525 -7.876 727 HD2 HIS 93 2HD HIS 93 0.995 -17.948 -4.963 728 HE1 HIS 93 1HE HIS 93 2.124 -21.945 -5.830 729 HE2 HIS 93 2HE HIS 93 1.100 -20.393 -4.121 730 H HIS 94 H HIS 94 5.058 -17.468 -6.069 731 HA HIS 94 HA HIS 94 6.354 -19.420 -7.850 732 1HB HIS 94 2HB HIS 94 7.528 -17.163 -7.740 733 2HB HIS 94 1HB HIS 94 7.873 -17.527 -6.053 734 HD1 HIS 94 1HD HIS 94 9.721 -19.235 -5.556 735 HD2 HIS 94 2HD HIS 94 8.960 -18.711 -9.616 736 HE1 HIS 94 1HE HIS 94 11.601 -20.399 -6.762 737 HE2 HIS 94 2HE HIS 94 11.109 -20.099 -9.218 Start of MODEL 4 1 1H MET 1 1HT MET 1 -0.296 17.376 3.497 2 2H MET 1 2HT MET 1 -0.278 15.937 4.381 3 3H MET 1 3HT MET 1 1.079 16.393 3.465 4 HA MET 1 HA MET 1 1.347 18.364 4.874 5 1HB MET 1 2HB MET 1 -1.056 18.396 5.581 6 2HB MET 1 1HB MET 1 -0.730 17.004 6.602 7 1HG MET 1 2HG MET 1 0.903 18.344 7.862 8 2HG MET 1 1HG MET 1 0.494 19.739 6.867 9 1HE MET 1 1HE MET 1 -2.677 19.240 6.506 10 2HE MET 1 2HE MET 1 -1.969 20.827 6.810 11 3HE MET 1 3HE MET 1 -3.304 20.250 7.808 12 H TYR 2 H TYR 2 1.170 14.950 5.122 13 HA TYR 2 HA TYR 2 2.680 14.508 7.452 14 1HB TYR 2 2HB TYR 2 2.412 12.853 4.929 15 2HB TYR 2 1HB TYR 2 3.207 12.288 6.394 16 HD1 TYR 2 1HD TYR 2 -0.071 13.621 5.187 17 HD2 TYR 2 2HD TYR 2 1.958 11.174 8.017 18 HE1 TYR 2 1HE TYR 2 -2.235 12.845 6.062 19 HE2 TYR 2 2HE TYR 2 -0.200 10.396 8.897 20 HH TYR 2 HH TYR 2 -3.165 10.994 7.286 21 H THR 3 H THR 3 4.737 14.997 7.875 22 HA THR 3 HA THR 3 6.321 16.326 5.932 23 HB THR 3 HB THR 3 8.025 16.411 7.794 24 HG1 THR 3 1HG THR 3 6.837 15.823 9.898 25 1HG2 THR 3 1HG2 THR 3 6.374 18.196 7.434 26 2HG2 THR 3 2HG2 THR 3 6.729 17.979 9.148 27 3HG2 THR 3 3HG2 THR 3 5.231 17.342 8.471 28 H ALA 4 H ALA 4 8.656 15.825 5.691 29 HA ALA 4 HA ALA 4 8.999 13.312 4.450 30 1HB ALA 4 1HB ALA 4 11.116 15.286 5.285 31 2HB ALA 4 2HB ALA 4 10.215 15.326 3.770 32 3HB ALA 4 3HB ALA 4 11.306 13.984 4.112 33 H GLU 5 H GLU 5 10.134 14.591 7.551 34 HA GLU 5 HA GLU 5 11.653 12.364 8.352 35 1HB GLU 5 2HB GLU 5 11.555 14.711 9.355 36 2HB GLU 5 1HB GLU 5 10.097 14.184 10.180 37 1HG GLU 5 2HG GLU 5 12.520 12.515 10.484 38 2HG GLU 5 1HG GLU 5 12.482 14.076 11.294 39 H GLN 6 H GLN 6 8.248 13.179 8.691 40 HA GLN 6 HA GLN 6 7.545 10.948 10.300 41 1HB GLN 6 2HB GLN 6 6.230 13.035 10.171 42 2HB GLN 6 1HB GLN 6 5.810 12.656 8.510 43 1HG GLN 6 2HG GLN 6 4.458 10.844 9.155 44 2HG GLN 6 1HG GLN 6 5.121 10.833 10.790 45 1HE2 GLN 6 1HE2 GLN 6 4.409 12.313 12.284 46 2HE2 GLN 6 2HE2 GLN 6 3.004 13.297 12.028 47 H LYS 7 H LYS 7 7.741 11.490 6.833 48 HA LYS 7 HA LYS 7 6.417 9.168 5.982 49 1HB LYS 7 2HB LYS 7 8.679 10.692 4.687 50 2HB LYS 7 1HB LYS 7 7.849 9.350 3.916 51 1HG LYS 7 2HG LYS 7 5.718 10.645 4.164 52 2HG LYS 7 1HG LYS 7 6.697 12.015 4.695 53 1HD LYS 7 2HD LYS 7 7.939 11.928 2.573 54 2HD LYS 7 1HD LYS 7 6.923 10.587 2.042 55 1HE LYS 7 2HE LYS 7 6.072 12.582 1.044 56 2HE LYS 7 1HE LYS 7 4.943 12.090 2.303 57 1HZ LYS 7 1HZ LYS 7 5.906 13.744 3.772 58 2HZ LYS 7 2HZ LYS 7 5.358 14.473 2.346 59 3HZ LYS 7 3HZ LYS 7 7.016 14.200 2.572 60 H ALA 8 H ALA 8 9.697 9.682 7.113 61 HA ALA 8 HA ALA 8 10.770 7.174 6.400 62 1HB ALA 8 1HB ALA 8 12.131 9.092 7.121 63 2HB ALA 8 2HB ALA 8 12.493 7.631 8.039 64 3HB ALA 8 3HB ALA 8 11.506 8.903 8.760 65 H ARG 9 H ARG 9 8.894 8.264 9.151 66 HA ARG 9 HA ARG 9 9.155 5.915 10.720 67 1HB ARG 9 2HB ARG 9 6.847 7.872 10.728 68 2HB ARG 9 1HB ARG 9 7.339 6.800 12.033 69 1HG ARG 9 2HG ARG 9 9.435 8.048 12.262 70 2HG ARG 9 1HG ARG 9 8.924 9.129 10.966 71 1HD ARG 9 2HD ARG 9 6.948 9.747 12.321 72 2HD ARG 9 1HD ARG 9 7.572 8.743 13.630 73 HE ARG 9 HE ARG 9 9.324 10.850 12.622 74 1HH1 ARG 9 1HH1 ARG 9 7.112 9.736 15.098 75 2HH1 ARG 9 2HH1 ARG 9 7.582 10.939 16.255 76 1HH2 ARG 9 1HH2 ARG 9 9.920 12.473 14.113 77 2HH2 ARG 9 2HH2 ARG 9 9.182 12.504 15.697 78 H ILE 10 H ILE 10 7.017 6.938 8.149 79 HA ILE 10 HA ILE 10 5.176 4.804 8.253 80 HB ILE 10 HB ILE 10 6.098 6.408 5.858 81 1HG1 ILE 10 2HG1 ILE 10 3.691 6.760 7.659 82 2HG1 ILE 10 1HG1 ILE 10 5.129 7.770 7.679 83 1HG2 ILE 10 1HG2 ILE 10 5.037 4.324 5.178 84 2HG2 ILE 10 2HG2 ILE 10 4.003 5.702 4.807 85 3HG2 ILE 10 3HG2 ILE 10 3.643 4.683 6.200 86 1HD1 ILE 10 1HD1 ILE 10 3.330 8.861 6.492 87 2HD1 ILE 10 2HD1 ILE 10 3.200 7.490 5.391 88 3HD1 ILE 10 3HD1 ILE 10 4.655 8.486 5.390 89 H LYS 11 H LYS 11 8.241 5.236 6.512 90 HA LYS 11 HA LYS 11 8.325 2.795 5.163 91 1HB LYS 11 2HB LYS 11 10.601 4.408 6.331 92 2HB LYS 11 1HB LYS 11 10.808 3.057 5.228 93 1HG LYS 11 2HG LYS 11 9.554 4.286 3.507 94 2HG LYS 11 1HG LYS 11 9.404 5.654 4.618 95 1HD LYS 11 2HD LYS 11 11.834 5.865 4.699 96 2HD LYS 11 1HD LYS 11 12.003 4.472 3.633 97 1HE LYS 11 2HE LYS 11 10.821 5.696 1.864 98 2HE LYS 11 1HE LYS 11 10.687 7.094 2.931 99 1HZ LYS 11 1HZ LYS 11 12.549 7.305 1.396 100 2HZ LYS 11 2HZ LYS 11 13.232 5.876 2.002 101 3HZ LYS 11 3HZ LYS 11 13.090 7.240 3.000 102 H TRP 12 H TRP 12 9.338 3.622 8.452 103 HA TRP 12 HA TRP 12 10.407 1.105 9.122 104 1HB TRP 12 2HB TRP 12 9.372 3.413 10.726 105 2HB TRP 12 1HB TRP 12 9.775 1.901 11.528 106 HD1 TRP 12 HD TRP 12 11.641 4.082 8.882 107 HE1 TRP 12 1HE TRP 12 14.088 4.329 9.657 108 HE3 TRP 12 3HE TRP 12 11.375 1.400 13.213 109 HZ2 TRP 12 2HZ TRP 12 15.687 3.488 11.836 110 HZ3 TRP 12 3HZ TRP 12 13.402 1.166 14.589 111 HH2 TRP 12 HH TRP 12 15.514 2.189 13.914 112 H ALA 13 H ALA 13 7.128 2.269 8.976 113 HA ALA 13 HA ALA 13 5.970 0.141 10.502 114 1HB ALA 13 1HB ALA 13 4.841 2.305 10.208 115 2HB ALA 13 2HB ALA 13 3.838 0.958 9.670 116 3HB ALA 13 3HB ALA 13 4.664 1.969 8.486 117 H CYS 14 H CYS 14 6.607 0.724 7.078 118 HA CYS 14 HA CYS 14 5.324 -1.585 6.080 119 1HB CYS 14 2HB CYS 14 7.698 -0.081 4.950 120 2HB CYS 14 1HB CYS 14 6.712 -1.250 4.072 121 HG CYS 14 HG CYS 14 4.356 0.467 4.705 122 H ARG 15 H ARG 15 8.344 -1.069 7.662 123 HA ARG 15 HA ARG 15 9.551 -3.559 6.923 124 1HB ARG 15 2HB ARG 15 10.186 -1.807 9.306 125 2HB ARG 15 1HB ARG 15 11.216 -3.044 8.611 126 1HG ARG 15 2HG ARG 15 10.421 -0.466 7.276 127 2HG ARG 15 1HG ARG 15 11.973 -0.806 8.038 128 1HD ARG 15 2HD ARG 15 11.987 -2.834 6.380 129 2HD ARG 15 1HD ARG 15 10.844 -1.834 5.482 130 HE ARG 15 HE ARG 15 13.426 -0.694 6.298 131 1HH1 ARG 15 1HH1 ARG 15 11.174 -1.614 3.761 132 2HH1 ARG 15 2HH1 ARG 15 12.200 -1.018 2.488 133 1HH2 ARG 15 1HH2 ARG 15 14.751 0.098 4.606 134 2HH2 ARG 15 2HH2 ARG 15 14.212 -0.059 2.961 135 H ARG 16 H ARG 16 6.863 -2.998 8.732 136 HA ARG 16 HA ARG 16 7.549 -4.874 10.879 137 1HB ARG 16 2HB ARG 16 5.034 -3.254 10.577 138 2HB ARG 16 1HB ARG 16 5.552 -4.130 12.002 139 1HG ARG 16 2HG ARG 16 7.030 -1.779 10.837 140 2HG ARG 16 1HG ARG 16 5.848 -1.667 12.141 141 1HD ARG 16 2HD ARG 16 8.065 -1.698 13.079 142 2HD ARG 16 1HD ARG 16 7.247 -3.204 13.484 143 HE ARG 16 HE ARG 16 8.988 -3.203 11.148 144 1HH1 ARG 16 1HH1 ARG 16 8.529 -4.032 14.520 145 2HH1 ARG 16 2HH1 ARG 16 9.783 -5.242 14.517 146 1HH2 ARG 16 1HH2 ARG 16 10.628 -4.778 11.139 147 2HH2 ARG 16 2HH2 ARG 16 10.984 -5.653 12.598 148 H GLY 17 H GLY 17 7.376 -6.874 10.038 149 1HA GLY 17 2HA GLY 17 6.198 -8.842 9.804 150 2HA GLY 17 1HA GLY 17 4.714 -7.915 9.903 151 H MET 18 H MET 18 4.941 -6.259 7.720 152 HA MET 18 HA MET 18 4.191 -8.131 5.663 153 1HB MET 18 2HB MET 18 3.409 -6.177 4.452 154 2HB MET 18 1HB MET 18 2.881 -6.093 6.121 155 1HG MET 18 2HG MET 18 4.510 -4.441 6.643 156 2HG MET 18 1HG MET 18 5.304 -4.646 5.085 157 1HE MET 18 1HE MET 18 2.204 -3.254 7.003 158 2HE MET 18 2HE MET 18 1.469 -4.444 5.929 159 3HE MET 18 3HE MET 18 1.160 -2.726 5.683 160 H LEU 19 H LEU 19 6.769 -8.627 5.992 161 HA LEU 19 HA LEU 19 8.700 -7.051 4.815 162 1HB LEU 19 2HB LEU 19 8.575 -10.059 4.928 163 2HB LEU 19 1HB LEU 19 10.014 -9.117 4.599 164 HG LEU 19 HG LEU 19 8.450 -9.080 7.180 165 1HD1 LEU 19 1HD1 LEU 19 11.144 -10.258 6.512 166 2HD1 LEU 19 2HD1 LEU 19 9.670 -11.158 6.874 167 3HD1 LEU 19 3HD1 LEU 19 10.429 -10.170 8.123 168 1HD2 LEU 19 1HD2 LEU 19 9.474 -6.915 6.686 169 2HD2 LEU 19 2HD2 LEU 19 11.033 -7.705 6.444 170 3HD2 LEU 19 3HD2 LEU 19 10.277 -7.714 8.037 171 H GLU 20 H GLU 20 6.636 -9.478 3.218 172 HA GLU 20 HA GLU 20 7.987 -9.144 0.702 173 1HB GLU 20 2HB GLU 20 5.403 -10.542 1.401 174 2HB GLU 20 1HB GLU 20 6.100 -10.521 -0.213 175 1HG GLU 20 2HG GLU 20 8.186 -11.523 0.853 176 2HG GLU 20 1HG GLU 20 7.174 -11.824 2.265 177 H LEU 21 H LEU 21 5.459 -7.507 2.329 178 HA LEU 21 HA LEU 21 4.313 -6.416 -0.105 179 1HB LEU 21 2HB LEU 21 3.745 -5.785 2.791 180 2HB LEU 21 1HB LEU 21 2.862 -5.128 1.433 181 HG LEU 21 HG LEU 21 2.958 -8.045 2.207 182 1HD1 LEU 21 1HD1 LEU 21 0.636 -7.744 2.844 183 2HD1 LEU 21 2HD1 LEU 21 0.723 -6.034 2.423 184 3HD1 LEU 21 3HD1 LEU 21 1.673 -6.660 3.771 185 1HD2 LEU 21 1HD2 LEU 21 1.214 -8.312 0.503 186 2HD2 LEU 21 2HD2 LEU 21 2.736 -7.758 -0.196 187 3HD2 LEU 21 3HD2 LEU 21 1.413 -6.619 0.046 188 H ASP 22 H ASP 22 6.638 -5.608 2.310 189 HA ASP 22 HA ASP 22 6.866 -2.867 2.142 190 1HB ASP 22 2HB ASP 22 8.166 -4.167 3.706 191 2HB ASP 22 1HB ASP 22 9.008 -4.991 2.400 192 H VAL 23 H VAL 23 8.299 -5.306 0.034 193 HA VAL 23 HA VAL 23 9.700 -3.492 -1.634 194 HB VAL 23 HB VAL 23 8.804 -6.303 -2.286 195 1HG1 VAL 23 1HG1 VAL 23 11.006 -4.587 -3.428 196 2HG1 VAL 23 2HG1 VAL 23 9.535 -5.105 -4.252 197 3HG1 VAL 23 3HG1 VAL 23 10.756 -6.293 -3.800 198 1HG2 VAL 23 1HG2 VAL 23 10.057 -6.269 -0.200 199 2HG2 VAL 23 2HG2 VAL 23 11.351 -5.357 -0.978 200 3HG2 VAL 23 3HG2 VAL 23 11.007 -7.011 -1.486 201 H VAL 24 H VAL 24 6.437 -4.664 -1.588 202 HA VAL 24 HA VAL 24 5.929 -3.952 -4.357 203 HB VAL 24 HB VAL 24 4.001 -4.936 -2.242 204 1HG1 VAL 24 1HG1 VAL 24 2.840 -3.739 -4.008 205 2HG1 VAL 24 2HG1 VAL 24 2.534 -5.471 -4.144 206 3HG1 VAL 24 3HG1 VAL 24 3.680 -4.692 -5.233 207 1HG2 VAL 24 1HG2 VAL 24 5.405 -6.436 -4.453 208 2HG2 VAL 24 2HG2 VAL 24 4.194 -7.108 -3.361 209 3HG2 VAL 24 3HG2 VAL 24 5.750 -6.571 -2.729 210 H ILE 25 H ILE 25 4.937 -2.852 -1.134 211 HA ILE 25 HA ILE 25 3.160 -0.852 -2.084 212 HB ILE 25 HB ILE 25 4.467 -1.193 0.620 213 1HG1 ILE 25 2HG1 ILE 25 1.681 -1.875 -0.354 214 2HG1 ILE 25 1HG1 ILE 25 2.977 -3.037 -0.079 215 1HG2 ILE 25 1HG2 ILE 25 3.793 1.132 0.281 216 2HG2 ILE 25 2HG2 ILE 25 2.779 0.339 1.485 217 3HG2 ILE 25 3HG2 ILE 25 2.165 0.606 -0.146 218 1HD1 ILE 25 1HD1 ILE 25 2.985 -2.460 2.289 219 2HD1 ILE 25 2HD1 ILE 25 1.403 -3.030 1.759 220 3HD1 ILE 25 3HD1 ILE 25 1.680 -1.306 2.015 221 H MET 26 H MET 26 6.580 -0.860 -1.300 222 HA MET 26 HA MET 26 7.033 1.807 -0.813 223 1HB MET 26 2HB MET 26 8.712 0.052 -0.544 224 2HB MET 26 1HB MET 26 8.846 -0.106 -2.288 225 1HG MET 26 2HG MET 26 9.719 2.148 -2.449 226 2HG MET 26 1HG MET 26 9.518 2.369 -0.711 227 1HE MET 26 1HE MET 26 10.351 -0.598 0.275 228 2HE MET 26 2HE MET 26 10.815 0.886 1.106 229 3HE MET 26 3HE MET 26 12.041 -0.312 0.690 230 HA PRO 27 HA PRO 27 7.652 2.843 -5.469 231 1HB PRO 27 2HB PRO 27 6.488 0.628 -6.990 232 2HB PRO 27 1HB PRO 27 8.075 1.383 -7.155 233 1HG PRO 27 2HG PRO 27 7.773 -1.116 -6.192 234 2HG PRO 27 1HG PRO 27 9.055 -0.033 -5.620 235 1HD PRO 27 2HD PRO 27 6.429 -0.702 -4.340 236 2HD PRO 27 1HD PRO 27 8.037 -0.545 -3.597 237 H PHE 28 H PHE 28 4.826 0.958 -4.575 238 HA PHE 28 HA PHE 28 2.994 2.242 -6.331 239 1HB PHE 28 2HB PHE 28 2.581 0.689 -3.770 240 2HB PHE 28 1HB PHE 28 1.252 1.332 -4.722 241 HD1 PHE 28 1HD PHE 28 4.207 0.046 -6.441 242 HD2 PHE 28 2HD PHE 28 0.328 -0.905 -4.966 243 HE1 PHE 28 1HE PHE 28 4.203 -2.010 -7.789 244 HE2 PHE 28 2HE PHE 28 0.319 -2.965 -6.312 245 HZ PHE 28 HZ PHE 28 2.260 -3.519 -7.723 246 H PHE 29 H PHE 29 3.914 2.742 -2.963 247 HA PHE 29 HA PHE 29 2.131 4.770 -2.284 248 1HB PHE 29 2HB PHE 29 3.565 3.623 -0.658 249 2HB PHE 29 1HB PHE 29 4.990 4.363 -1.373 250 HD1 PHE 29 2HD PHE 29 1.857 5.106 0.452 251 HD2 PHE 29 1HD PHE 29 5.722 6.480 -0.685 252 HE1 PHE 29 2HE PHE 29 1.631 7.007 1.996 253 HE2 PHE 29 1HE PHE 29 5.504 8.384 0.860 254 HZ PHE 29 HZ PHE 29 3.456 8.650 2.204 255 H GLU 30 H GLU 30 5.228 4.951 -3.961 256 HA GLU 30 HA GLU 30 5.574 7.726 -3.817 257 1HB GLU 30 2HB GLU 30 6.525 5.857 -5.993 258 2HB GLU 30 1HB GLU 30 7.181 7.447 -5.626 259 1HG GLU 30 2HG GLU 30 7.390 6.267 -3.226 260 2HG GLU 30 1HG GLU 30 7.592 4.875 -4.284 261 H GLU 31 H GLU 31 3.922 5.733 -6.221 262 HA GLU 31 HA GLU 31 3.323 8.064 -7.832 263 1HB GLU 31 2HB GLU 31 2.106 6.421 -9.289 264 2HB GLU 31 1HB GLU 31 3.823 6.113 -9.079 265 1HG GLU 31 2HG GLU 31 3.310 4.393 -7.426 266 2HG GLU 31 1HG GLU 31 1.588 4.699 -7.648 267 H CYS 32 H CYS 32 1.611 5.953 -5.588 268 HA CYS 32 HA CYS 32 -0.970 7.032 -6.282 269 1HB CYS 32 2HB CYS 32 -0.128 5.219 -4.014 270 2HB CYS 32 1HB CYS 32 -1.794 5.633 -4.405 271 HG CYS 32 HG CYS 32 0.027 4.315 -6.916 272 H PHE 33 H PHE 33 1.531 7.861 -4.056 273 HA PHE 33 HA PHE 33 0.118 9.034 -1.977 274 1HB PHE 33 2HB PHE 33 2.495 8.708 -1.808 275 2HB PHE 33 1HB PHE 33 2.790 9.803 -3.150 276 HD1 PHE 33 1HD PHE 33 1.382 9.681 0.288 277 HD2 PHE 33 2HD PHE 33 3.207 12.057 -2.735 278 HE1 PHE 33 1HE PHE 33 1.593 11.542 1.883 279 HE2 PHE 33 2HE PHE 33 3.419 13.924 -1.146 280 HZ PHE 33 HZ PHE 33 2.612 13.664 1.168 281 H ASP 34 H ASP 34 0.845 10.325 -5.155 282 HA ASP 34 HA ASP 34 0.265 13.014 -4.699 283 1HB ASP 34 2HB ASP 34 1.248 12.096 -6.795 284 2HB ASP 34 1HB ASP 34 -0.338 11.460 -7.222 285 H SER 35 H SER 35 -1.894 10.289 -5.309 286 HA SER 35 HA SER 35 -4.212 12.071 -5.216 287 1HB SER 35 2HB SER 35 -4.097 9.094 -5.747 288 2HB SER 35 1HB SER 35 -5.505 10.140 -5.945 289 HG SER 35 HG SER 35 -3.184 9.934 -7.508 290 H LEU 36 H LEU 36 -2.322 10.346 -3.095 291 HA LEU 36 HA LEU 36 -4.388 9.481 -1.296 292 1HB LEU 36 2HB LEU 36 -1.411 9.817 -0.931 293 2HB LEU 36 1HB LEU 36 -2.475 9.264 0.345 294 HG LEU 36 HG LEU 36 -1.988 7.848 -2.277 295 1HD1 LEU 36 1HD1 LEU 36 -0.855 6.179 -0.912 296 2HD1 LEU 36 2HD1 LEU 36 -1.138 7.148 0.533 297 3HD1 LEU 36 3HD1 LEU 36 -0.077 7.753 -0.738 298 1HD2 LEU 36 1HD2 LEU 36 -3.314 6.048 -1.346 299 2HD2 LEU 36 2HD2 LEU 36 -4.269 7.528 -1.418 300 3HD2 LEU 36 3HD2 LEU 36 -3.599 6.986 0.121 301 H THR 37 H THR 37 -5.683 11.080 -0.573 302 HA THR 37 HA THR 37 -4.752 13.641 0.244 303 HB THR 37 HB THR 37 -6.968 13.948 1.234 304 HG1 THR 37 1HG THR 37 -8.372 11.886 0.759 305 1HG2 THR 37 1HG2 THR 37 -6.788 14.205 -1.188 306 2HG2 THR 37 2HG2 THR 37 -8.360 13.535 -0.753 307 3HG2 THR 37 3HG2 THR 37 -7.104 12.484 -1.408 308 H GLU 38 H GLU 38 -5.204 14.350 2.613 309 HA GLU 38 HA GLU 38 -3.467 13.007 4.342 310 1HB GLU 38 2HB GLU 38 -5.794 14.772 5.143 311 2HB GLU 38 1HB GLU 38 -4.368 14.420 6.103 312 1HG GLU 38 2HG GLU 38 -4.558 16.065 3.600 313 2HG GLU 38 1HG GLU 38 -4.093 16.594 5.215 314 H SER 39 H SER 39 -6.939 12.814 3.937 315 HA SER 39 HA SER 39 -7.515 11.052 6.028 316 1HB SER 39 2HB SER 39 -8.947 11.384 3.384 317 2HB SER 39 1HB SER 39 -9.618 10.691 4.857 318 HG SER 39 HG SER 39 -9.881 13.112 4.250 319 H GLU 40 H GLU 40 -6.865 10.365 2.563 320 HA GLU 40 HA GLU 40 -7.063 7.565 2.718 321 1HB GLU 40 2HB GLU 40 -5.089 9.075 0.986 322 2HB GLU 40 1HB GLU 40 -5.765 7.485 0.681 323 1HG GLU 40 2HG GLU 40 -7.386 10.014 0.725 324 2HG GLU 40 1HG GLU 40 -6.674 9.324 -0.729 325 H GLN 41 H GLN 41 -4.354 9.756 3.224 326 HA GLN 41 HA GLN 41 -2.371 7.844 3.755 327 1HB GLN 41 2HB GLN 41 -2.720 10.731 4.012 328 2HB GLN 41 1HB GLN 41 -1.673 10.062 5.250 329 1HG GLN 41 2HG GLN 41 -1.270 9.474 2.335 330 2HG GLN 41 1HG GLN 41 -0.599 10.910 3.103 331 1HE2 GLN 41 1HE2 GLN 41 -0.881 7.840 4.775 332 2HE2 GLN 41 2HE2 GLN 41 0.812 7.513 4.839 333 H ASP 42 H ASP 42 -4.729 9.426 5.849 334 HA ASP 42 HA ASP 42 -3.601 8.656 8.318 335 1HB ASP 42 2HB ASP 42 -5.291 10.446 8.052 336 2HB ASP 42 1HB ASP 42 -6.499 9.225 7.664 337 H ASP 43 H ASP 43 -6.167 7.227 6.350 338 HA ASP 43 HA ASP 43 -6.777 5.047 7.990 339 1HB ASP 43 2HB ASP 43 -7.035 5.573 5.044 340 2HB ASP 43 1HB ASP 43 -7.469 4.002 5.702 341 H PHE 44 H PHE 44 -4.382 5.439 5.454 342 HA PHE 44 HA PHE 44 -3.458 2.767 5.417 343 1HB PHE 44 2HB PHE 44 -3.129 4.494 3.621 344 2HB PHE 44 1HB PHE 44 -1.944 5.275 4.657 345 HD1 PHE 44 2HD PHE 44 -2.552 1.709 3.734 346 HD2 PHE 44 1HD PHE 44 0.139 4.997 3.783 347 HE1 PHE 44 2HE PHE 44 -0.795 0.281 2.772 348 HE2 PHE 44 1HE PHE 44 1.901 3.578 2.818 349 HZ PHE 44 HZ PHE 44 1.434 1.218 2.310 350 H VAL 45 H VAL 45 -2.315 5.675 7.128 351 HA VAL 45 HA VAL 45 -0.047 4.467 8.306 352 HB VAL 45 HB VAL 45 -1.645 6.882 9.170 353 1HG1 VAL 45 1HG1 VAL 45 1.032 5.935 10.188 354 2HG1 VAL 45 2HG1 VAL 45 -0.478 5.946 11.099 355 3HG1 VAL 45 3HG1 VAL 45 0.256 7.467 10.592 356 1HG2 VAL 45 1HG2 VAL 45 0.288 8.116 8.249 357 2HG2 VAL 45 2HG2 VAL 45 -0.557 7.161 7.030 358 3HG2 VAL 45 3HG2 VAL 45 0.970 6.586 7.698 359 H ALA 46 H ALA 46 -3.385 4.830 9.412 360 HA ALA 46 HA ALA 46 -3.057 3.887 12.024 361 1HB ALA 46 1HB ALA 46 -5.454 3.435 11.989 362 2HB ALA 46 2HB ALA 46 -5.462 3.593 10.232 363 3HB ALA 46 3HB ALA 46 -5.087 4.990 11.240 364 H LEU 47 H LEU 47 -3.640 2.144 9.005 365 HA LEU 47 HA LEU 47 -3.862 -0.428 10.160 366 1HB LEU 47 2HB LEU 47 -3.532 0.687 7.455 367 2HB LEU 47 1HB LEU 47 -2.975 -0.959 7.663 368 HG LEU 47 HG LEU 47 -5.760 0.060 8.213 369 1HD1 LEU 47 1HD1 LEU 47 -6.377 -1.387 6.332 370 2HD1 LEU 47 2HD1 LEU 47 -4.672 -1.744 6.060 371 3HD1 LEU 47 3HD1 LEU 47 -5.273 -0.100 5.847 372 1HD2 LEU 47 1HD2 LEU 47 -6.339 -2.274 8.626 373 2HD2 LEU 47 2HD2 LEU 47 -5.123 -1.716 9.775 374 3HD2 LEU 47 3HD2 LEU 47 -4.649 -2.739 8.419 375 H LEU 48 H LEU 48 -1.128 1.291 8.726 376 HA LEU 48 HA LEU 48 0.645 -0.820 8.477 377 1HB LEU 48 2HB LEU 48 1.181 2.107 8.898 378 2HB LEU 48 1HB LEU 48 2.421 0.944 8.472 379 HG LEU 48 HG LEU 48 0.010 1.628 6.788 380 1HD1 LEU 48 1HD1 LEU 48 1.622 2.714 5.321 381 2HD1 LEU 48 2HD1 LEU 48 2.919 2.341 6.456 382 3HD1 LEU 48 3HD1 LEU 48 1.629 3.448 6.924 383 1HD2 LEU 48 1HD2 LEU 48 1.130 0.304 5.060 384 2HD2 LEU 48 2HD2 LEU 48 0.731 -0.679 6.468 385 3HD2 LEU 48 3HD2 LEU 48 2.390 -0.136 6.211 386 H GLU 49 H GLU 49 -0.244 0.710 11.442 387 HA GLU 49 HA GLU 49 2.242 0.576 12.753 388 1HB GLU 49 2HB GLU 49 -0.555 0.577 13.865 389 2HB GLU 49 1HB GLU 49 0.882 0.609 14.879 390 1HG GLU 49 2HG GLU 49 1.528 2.647 13.379 391 2HG GLU 49 1HG GLU 49 -0.207 2.702 13.068 392 H SER 50 H SER 50 -0.466 -1.769 12.826 393 HA SER 50 HA SER 50 1.418 -3.926 12.974 394 1HB SER 50 2HB SER 50 -0.474 -3.474 15.265 395 2HB SER 50 1HB SER 50 0.510 -4.898 15.031 396 HG SER 50 HG SER 50 2.028 -2.669 14.928 397 H ASP 51 H ASP 51 0.649 -5.208 11.544 398 HA ASP 51 HA ASP 51 -0.600 -6.791 10.522 399 1HB ASP 51 2HB ASP 51 -1.179 -7.498 12.817 400 2HB ASP 51 1HB ASP 51 -2.564 -6.411 12.782 401 H ASP 52 H ASP 52 -1.629 -6.579 8.708 402 HA ASP 52 HA ASP 52 -3.712 -4.501 8.448 403 1HB ASP 52 2HB ASP 52 -1.706 -5.458 6.393 404 2HB ASP 52 1HB ASP 52 -3.000 -4.307 6.077 405 HA PRO 53 HA PRO 53 -5.617 -8.592 7.436 406 1HB PRO 53 2HB PRO 53 -7.927 -8.219 8.795 407 2HB PRO 53 1HB PRO 53 -6.455 -8.814 9.567 408 1HG PRO 53 2HG PRO 53 -7.629 -6.065 9.582 409 2HG PRO 53 1HG PRO 53 -6.848 -6.959 10.899 410 1HD PRO 53 2HD PRO 53 -5.605 -5.020 9.420 411 2HD PRO 53 1HD PRO 53 -4.752 -6.343 10.233 412 H ASP 54 H ASP 54 -7.311 -5.467 7.639 413 HA ASP 54 HA ASP 54 -9.293 -5.957 5.727 414 1HB ASP 54 2HB ASP 54 -7.956 -3.295 6.283 415 2HB ASP 54 1HB ASP 54 -9.563 -3.546 5.608 416 H LEU 55 H LEU 55 -6.061 -4.596 5.422 417 HA LEU 55 HA LEU 55 -6.103 -3.987 2.690 418 1HB LEU 55 2HB LEU 55 -4.321 -3.731 4.755 419 2HB LEU 55 1HB LEU 55 -3.554 -4.971 3.788 420 HG LEU 55 HG LEU 55 -4.309 -2.206 2.848 421 1HD1 LEU 55 1HD1 LEU 55 -2.413 -2.223 4.374 422 2HD1 LEU 55 2HD1 LEU 55 -1.909 -1.827 2.732 423 3HD1 LEU 55 3HD1 LEU 55 -1.614 -3.441 3.380 424 1HD2 LEU 55 1HD2 LEU 55 -4.501 -3.797 1.025 425 2HD2 LEU 55 2HD2 LEU 55 -2.902 -4.441 1.391 426 3HD2 LEU 55 3HD2 LEU 55 -3.073 -2.788 0.802 427 H PHE 56 H PHE 56 -4.977 -6.869 4.410 428 HA PHE 56 HA PHE 56 -4.045 -8.316 2.207 429 1HB PHE 56 2HB PHE 56 -3.531 -8.793 4.594 430 2HB PHE 56 1HB PHE 56 -5.174 -9.376 4.811 431 HD1 PHE 56 1HD PHE 56 -2.569 -9.976 2.201 432 HD2 PHE 56 2HD PHE 56 -5.171 -11.628 5.133 433 HE1 PHE 56 1HE PHE 56 -1.819 -12.235 1.586 434 HE2 PHE 56 2HE PHE 56 -4.427 -13.893 4.525 435 HZ PHE 56 HZ PHE 56 -2.747 -14.198 2.746 436 H ALA 57 H ALA 57 -7.251 -8.152 3.674 437 HA ALA 57 HA ALA 57 -8.332 -10.347 2.211 438 1HB ALA 57 1HB ALA 57 -10.463 -9.689 3.135 439 2HB ALA 57 2HB ALA 57 -9.808 -8.122 3.608 440 3HB ALA 57 3HB ALA 57 -9.220 -9.592 4.384 441 H TRP 58 H TRP 58 -8.464 -6.810 1.735 442 HA TRP 58 HA TRP 58 -10.344 -7.024 -0.388 443 1HB TRP 58 2HB TRP 58 -8.635 -4.785 0.628 444 2HB TRP 58 1HB TRP 58 -9.537 -4.611 -0.877 445 HD1 TRP 58 HD TRP 58 -10.262 -5.603 2.789 446 HE1 TRP 58 1HE TRP 58 -12.584 -4.693 3.425 447 HE3 TRP 58 3HE TRP 58 -11.610 -3.623 -1.730 448 HZ2 TRP 58 2HZ TRP 58 -14.716 -3.327 2.160 449 HZ3 TRP 58 3HZ TRP 58 -13.816 -2.542 -1.935 450 HH2 TRP 58 HH TRP 58 -15.333 -2.402 -0.028 451 H VAL 59 H VAL 59 -6.850 -7.100 -0.238 452 HA VAL 59 HA VAL 59 -6.403 -6.683 -3.014 453 HB VAL 59 HB VAL 59 -4.663 -8.043 -0.950 454 1HG1 VAL 59 1HG1 VAL 59 -4.058 -8.848 -3.157 455 2HG1 VAL 59 2HG1 VAL 59 -2.820 -7.749 -2.550 456 3HG1 VAL 59 3HG1 VAL 59 -3.974 -7.195 -3.763 457 1HG2 VAL 59 1HG2 VAL 59 -3.397 -5.951 -1.004 458 2HG2 VAL 59 2HG2 VAL 59 -5.067 -5.685 -0.509 459 3HG2 VAL 59 3HG2 VAL 59 -4.558 -5.276 -2.147 460 H MET 60 H MET 60 -6.882 -9.608 -1.048 461 HA MET 60 HA MET 60 -6.381 -11.359 -3.278 462 1HB MET 60 2HB MET 60 -6.934 -13.172 -1.819 463 2HB MET 60 1HB MET 60 -5.987 -12.017 -0.891 464 1HG MET 60 2HG MET 60 -7.904 -11.236 0.260 465 2HG MET 60 1HG MET 60 -8.989 -12.098 -0.826 466 1HE MET 60 1HE MET 60 -6.264 -14.133 2.293 467 2HE MET 60 2HE MET 60 -6.414 -12.387 2.108 468 3HE MET 60 3HE MET 60 -5.642 -13.345 0.843 469 H GLY 61 H GLY 61 -9.117 -9.692 -2.007 470 1HA GLY 61 2HA GLY 61 -11.044 -9.326 -3.372 471 2HA GLY 61 1HA GLY 61 -10.745 -10.872 -4.154 472 H HIS 62 H HIS 62 -10.635 -10.453 -0.702 473 HA HIS 62 HA HIS 62 -13.272 -11.738 -0.423 474 1HB HIS 62 2HB HIS 62 -11.162 -13.267 -0.114 475 2HB HIS 62 1HB HIS 62 -10.984 -12.415 1.415 476 HD1 HIS 62 1HD HIS 62 -12.688 -12.953 3.285 477 HD2 HIS 62 2HD HIS 62 -13.332 -15.023 -0.266 478 HE1 HIS 62 1HE HIS 62 -14.354 -14.755 3.839 479 HE2 HIS 62 2HE HIS 62 -14.839 -15.900 1.642 480 H GLY 63 H GLY 63 -12.931 -9.069 -0.332 481 1HA GLY 63 2HA GLY 63 -12.019 -8.196 2.267 482 2HA GLY 63 1HA GLY 63 -12.509 -7.175 0.929 483 H ARG 64 H ARG 64 -14.325 -6.122 1.133 484 HA ARG 64 HA ARG 64 -16.083 -5.151 2.142 485 1HB ARG 64 2HB ARG 64 -16.593 -7.918 3.203 486 2HB ARG 64 1HB ARG 64 -17.618 -6.549 3.579 487 1HG ARG 64 2HG ARG 64 -18.070 -6.242 1.188 488 2HG ARG 64 1HG ARG 64 -17.085 -7.665 0.837 489 1HD ARG 64 2HD ARG 64 -18.592 -9.093 1.992 490 2HD ARG 64 1HD ARG 64 -19.471 -7.725 2.673 491 HE ARG 64 HE ARG 64 -20.231 -7.242 0.380 492 1HH1 ARG 64 1HH1 ARG 64 -19.009 -10.440 1.086 493 2HH1 ARG 64 2HH1 ARG 64 -19.943 -11.211 -0.165 494 1HH2 ARG 64 1HH2 ARG 64 -21.464 -8.241 -1.254 495 2HH2 ARG 64 2HH2 ARG 64 -21.318 -9.958 -1.506 496 H CYS 65 H CYS 65 -16.255 -3.887 3.869 497 HA CYS 65 HA CYS 65 -14.958 -4.533 6.364 498 1HB CYS 65 2HB CYS 65 -13.029 -3.895 4.985 499 2HB CYS 65 1HB CYS 65 -13.823 -2.385 4.553 500 HG CYS 65 HG CYS 65 -11.863 -3.033 7.103 501 H GLU 66 H GLU 66 -15.112 -2.695 7.892 502 HA GLU 66 HA GLU 66 -17.714 -1.495 7.734 503 1HB GLU 66 2HB GLU 66 -15.519 -1.152 9.784 504 2HB GLU 66 1HB GLU 66 -17.197 -0.664 9.978 505 1HG GLU 66 2HG GLU 66 -16.205 -3.486 9.633 506 2HG GLU 66 1HG GLU 66 -16.743 -2.747 11.142 507 H ASN 67 H ASN 67 -14.395 -0.469 7.329 508 HA ASN 67 HA ASN 67 -15.322 2.287 6.871 509 1HB ASN 67 2HB ASN 67 -13.822 2.246 8.740 510 2HB ASN 67 1HB ASN 67 -12.677 1.225 7.878 511 1HD2 ASN 67 1HD2 ASN 67 -10.997 2.646 8.161 512 2HD2 ASN 67 2HD2 ASN 67 -10.874 4.136 7.281 513 H LEU 68 H LEU 68 -15.472 2.706 4.768 514 HA LEU 68 HA LEU 68 -14.111 1.114 2.823 515 1HB LEU 68 2HB LEU 68 -15.888 3.526 2.596 516 2HB LEU 68 1HB LEU 68 -15.133 2.781 1.202 517 HG LEU 68 HG LEU 68 -17.177 1.549 3.048 518 1HD1 LEU 68 1HD1 LEU 68 -18.044 3.061 1.329 519 2HD1 LEU 68 2HD1 LEU 68 -18.505 1.388 1.013 520 3HD1 LEU 68 3HD1 LEU 68 -17.199 2.131 0.090 521 1HD2 LEU 68 1HD2 LEU 68 -15.654 0.256 0.786 522 2HD2 LEU 68 2HD2 LEU 68 -16.997 -0.465 1.671 523 3HD2 LEU 68 3HD2 LEU 68 -15.478 -0.121 2.499 524 H GLY 69 H GLY 69 -13.293 3.933 4.531 525 1HA GLY 69 2HA GLY 69 -11.583 5.220 2.721 526 2HA GLY 69 1HA GLY 69 -11.388 5.222 4.470 527 H LEU 70 H LEU 70 -11.051 2.487 4.868 528 HA LEU 70 HA LEU 70 -8.339 2.051 4.343 529 1HB LEU 70 2HB LEU 70 -10.547 0.101 5.017 530 2HB LEU 70 1HB LEU 70 -8.838 -0.299 5.033 531 HG LEU 70 HG LEU 70 -10.177 1.745 6.807 532 1HD1 LEU 70 1HD1 LEU 70 -9.759 0.144 8.605 533 2HD1 LEU 70 2HD1 LEU 70 -9.120 -1.010 7.436 534 3HD1 LEU 70 3HD1 LEU 70 -10.819 -0.541 7.372 535 1HD2 LEU 70 1HD2 LEU 70 -8.035 1.805 7.982 536 2HD2 LEU 70 2HD2 LEU 70 -7.862 2.323 6.304 537 3HD2 LEU 70 3HD2 LEU 70 -7.346 0.707 6.785 538 H ALA 71 H ALA 71 -11.257 0.908 2.730 539 HA ALA 71 HA ALA 71 -9.951 -0.778 0.861 540 1HB ALA 71 1HB ALA 71 -12.671 0.498 0.685 541 2HB ALA 71 2HB ALA 71 -12.307 -1.019 1.505 542 3HB ALA 71 3HB ALA 71 -12.098 -0.890 -0.241 543 H ALA 72 H ALA 72 -10.777 2.604 0.910 544 HA ALA 72 HA ALA 72 -10.719 3.196 -1.807 545 1HB ALA 72 1HB ALA 72 -11.508 4.756 -0.104 546 2HB ALA 72 2HB ALA 72 -10.288 5.499 -1.139 547 3HB ALA 72 3HB ALA 72 -9.857 4.958 0.483 548 H MET 73 H MET 73 -8.039 3.190 0.544 549 HA MET 73 HA MET 73 -6.136 3.956 -1.447 550 1HB MET 73 2HB MET 73 -4.431 3.577 0.268 551 2HB MET 73 1HB MET 73 -5.754 4.558 0.873 552 1HG MET 73 2HG MET 73 -5.370 3.157 2.636 553 2HG MET 73 1HG MET 73 -6.656 2.303 1.786 554 1HE MET 73 1HE MET 73 -4.582 1.103 3.990 555 2HE MET 73 2HE MET 73 -4.290 -0.492 3.298 556 3HE MET 73 3HE MET 73 -5.922 0.180 3.313 557 H VAL 74 H VAL 74 -7.376 0.925 -0.282 558 HA VAL 74 HA VAL 74 -5.312 -0.733 -1.309 559 HB VAL 74 HB VAL 74 -8.207 -1.408 -0.741 560 1HG1 VAL 74 1HG1 VAL 74 -5.858 -3.244 -1.196 561 2HG1 VAL 74 2HG1 VAL 74 -7.204 -2.995 -2.307 562 3HG1 VAL 74 3HG1 VAL 74 -7.486 -3.740 -0.733 563 1HG2 VAL 74 1HG2 VAL 74 -7.343 -2.379 1.325 564 2HG2 VAL 74 2HG2 VAL 74 -6.981 -0.655 1.229 565 3HG2 VAL 74 3HG2 VAL 74 -5.718 -1.842 0.902 566 H ASP 75 H ASP 75 -8.353 0.482 -2.646 567 HA ASP 75 HA ASP 75 -8.445 -1.067 -4.977 568 1HB ASP 75 2HB ASP 75 -10.319 0.341 -4.164 569 2HB ASP 75 1HB ASP 75 -9.423 1.781 -4.637 570 H LYS 76 H LYS 76 -6.714 1.888 -4.245 571 HA LYS 76 HA LYS 76 -5.850 2.539 -6.842 572 1HB LYS 76 2HB LYS 76 -4.193 3.007 -4.368 573 2HB LYS 76 1HB LYS 76 -4.289 3.990 -5.823 574 1HG LYS 76 2HG LYS 76 -6.552 4.664 -5.240 575 2HG LYS 76 1HG LYS 76 -6.493 3.651 -3.797 576 1HD LYS 76 2HD LYS 76 -4.450 5.019 -3.129 577 2HD LYS 76 1HD LYS 76 -4.916 6.133 -4.413 578 1HE LYS 76 2HE LYS 76 -6.611 5.343 -2.045 579 2HE LYS 76 1HE LYS 76 -5.758 6.866 -2.250 580 1HZ LYS 76 1HZ LYS 76 -7.135 7.301 -4.213 581 2HZ LYS 76 2HZ LYS 76 -8.053 7.151 -2.794 582 3HZ LYS 76 3HZ LYS 76 -8.008 5.880 -3.913 583 H ILE 77 H ILE 77 -4.561 0.386 -4.374 584 HA ILE 77 HA ILE 77 -2.164 -0.316 -5.734 585 HB ILE 77 HB ILE 77 -3.729 -1.843 -3.637 586 1HG1 ILE 77 2HG1 ILE 77 -1.333 -0.015 -3.353 587 2HG1 ILE 77 1HG1 ILE 77 -2.985 0.413 -2.933 588 1HG2 ILE 77 1HG2 ILE 77 -1.610 -3.019 -3.195 589 2HG2 ILE 77 2HG2 ILE 77 -0.893 -2.207 -4.588 590 3HG2 ILE 77 3HG2 ILE 77 -2.232 -3.331 -4.817 591 1HD1 ILE 77 1HD1 ILE 77 -1.689 -0.176 -0.959 592 2HD1 ILE 77 2HD1 ILE 77 -1.358 -1.765 -1.650 593 3HD1 ILE 77 3HD1 ILE 77 -3.008 -1.320 -1.219 594 H VAL 78 H VAL 78 -5.436 -1.632 -5.637 595 HA VAL 78 HA VAL 78 -5.019 -3.979 -7.108 596 HB VAL 78 HB VAL 78 -7.504 -2.249 -7.027 597 1HG1 VAL 78 1HG1 VAL 78 -7.215 -5.154 -7.771 598 2HG1 VAL 78 2HG1 VAL 78 -7.520 -3.832 -8.897 599 3HG1 VAL 78 3HG1 VAL 78 -8.724 -4.245 -7.677 600 1HG2 VAL 78 1HG2 VAL 78 -6.784 -2.950 -4.812 601 2HG2 VAL 78 2HG2 VAL 78 -6.720 -4.627 -5.352 602 3HG2 VAL 78 3HG2 VAL 78 -8.268 -3.780 -5.283 603 H ALA 79 H ALA 79 -5.810 -0.690 -8.163 604 HA ALA 79 HA ALA 79 -6.090 -1.138 -10.888 605 1HB ALA 79 1HB ALA 79 -6.631 0.986 -9.790 606 2HB ALA 79 2HB ALA 79 -5.573 1.224 -11.181 607 3HB ALA 79 3HB ALA 79 -4.912 1.296 -9.546 608 H HIS 80 H HIS 80 -3.154 -0.582 -8.979 609 HA HIS 80 HA HIS 80 -1.440 -0.591 -11.260 610 1HB HIS 80 2HB HIS 80 -0.869 0.467 -9.041 611 2HB HIS 80 1HB HIS 80 -0.604 -1.156 -8.413 612 HD1 HIS 80 1HD HIS 80 1.256 1.570 -9.747 613 HD2 HIS 80 2HD HIS 80 1.407 -2.564 -10.256 614 HE1 HIS 80 1HE HIS 80 3.554 1.068 -10.638 615 HE2 HIS 80 2HE HIS 80 3.668 -1.444 -10.808 616 H ASN 81 H ASN 81 -2.485 -3.101 -8.955 617 HA ASN 81 HA ASN 81 -0.651 -5.023 -9.969 618 1HB ASN 81 2HB ASN 81 -1.663 -6.654 -8.613 619 2HB ASN 81 1HB ASN 81 -1.755 -5.163 -7.703 620 1HD2 ASN 81 1HD2 ASN 81 -3.359 -5.814 -6.405 621 2HD2 ASN 81 2HD2 ASN 81 -4.985 -6.101 -6.919 622 H LEU 82 H LEU 82 -3.923 -4.127 -10.837 623 HA LEU 82 HA LEU 82 -4.486 -6.094 -12.719 624 1HB LEU 82 2HB LEU 82 -5.978 -4.207 -11.961 625 2HB LEU 82 1HB LEU 82 -5.077 -3.149 -13.026 626 HG LEU 82 HG LEU 82 -5.763 -4.610 -14.942 627 1HD1 LEU 82 1HD1 LEU 82 -6.242 -6.640 -13.717 628 2HD1 LEU 82 2HD1 LEU 82 -7.682 -6.102 -14.582 629 3HD1 LEU 82 3HD1 LEU 82 -7.544 -5.832 -12.843 630 1HD2 LEU 82 1HD2 LEU 82 -8.043 -3.729 -15.050 631 2HD2 LEU 82 2HD2 LEU 82 -6.906 -2.513 -14.470 632 3HD2 LEU 82 3HD2 LEU 82 -7.972 -3.336 -13.333 633 H SER 83 H SER 83 -2.512 -3.206 -12.946 634 HA SER 83 HA SER 83 -1.861 -3.467 -15.698 635 1HB SER 83 2HB SER 83 -0.358 -2.018 -13.499 636 2HB SER 83 1HB SER 83 -0.146 -1.778 -15.234 637 HG SER 83 HG SER 83 -2.373 -1.121 -13.614 638 H LYS 84 H LYS 84 -0.490 -4.737 -12.725 639 HA LYS 84 HA LYS 84 1.897 -5.771 -13.844 640 1HB LYS 84 2HB LYS 84 0.289 -6.602 -11.428 641 2HB LYS 84 1HB LYS 84 1.785 -7.398 -11.886 642 1HG LYS 84 2HG LYS 84 2.934 -5.190 -11.691 643 2HG LYS 84 1HG LYS 84 1.424 -4.529 -11.058 644 1HD LYS 84 2HD LYS 84 3.009 -5.182 -9.276 645 2HD LYS 84 1HD LYS 84 1.482 -6.063 -9.195 646 1HE LYS 84 2HE LYS 84 2.522 -7.976 -10.308 647 2HE LYS 84 1HE LYS 84 4.044 -7.093 -10.412 648 1HZ LYS 84 1HZ LYS 84 4.247 -7.115 -8.054 649 2HZ LYS 84 2HZ LYS 84 3.923 -8.704 -8.556 650 3HZ LYS 84 3HZ LYS 84 2.693 -7.769 -7.853 651 H VAL 85 H VAL 85 -1.384 -6.971 -13.607 652 HA VAL 85 HA VAL 85 -0.825 -9.618 -14.452 653 HB VAL 85 HB VAL 85 -3.429 -8.089 -14.658 654 1HG1 VAL 85 1HG1 VAL 85 -2.870 -11.050 -14.725 655 2HG1 VAL 85 2HG1 VAL 85 -3.461 -10.058 -16.059 656 3HG1 VAL 85 3HG1 VAL 85 -4.472 -10.320 -14.637 657 1HG2 VAL 85 1HG2 VAL 85 -2.601 -8.147 -12.367 658 2HG2 VAL 85 2HG2 VAL 85 -2.411 -9.898 -12.470 659 3HG2 VAL 85 3HG2 VAL 85 -4.020 -9.179 -12.550 660 H ARG 86 H ARG 86 -1.653 -6.645 -16.170 661 HA ARG 86 HA ARG 86 -1.927 -7.993 -18.700 662 1HB ARG 86 2HB ARG 86 -2.346 -5.843 -19.641 663 2HB ARG 86 1HB ARG 86 -3.142 -5.901 -18.081 664 1HG ARG 86 2HG ARG 86 -1.313 -4.615 -17.096 665 2HG ARG 86 1HG ARG 86 -0.542 -4.524 -18.682 666 1HD ARG 86 2HD ARG 86 -2.486 -3.335 -19.565 667 2HD ARG 86 1HD ARG 86 -3.279 -3.449 -17.995 668 HE ARG 86 HE ARG 86 -0.699 -2.141 -17.959 669 1HH1 ARG 86 1HH1 ARG 86 -4.166 -1.716 -18.312 670 2HH1 ARG 86 2HH1 ARG 86 -4.133 -0.052 -17.807 671 1HH2 ARG 86 1HH2 ARG 86 -0.672 0.073 -17.329 672 2HH2 ARG 86 2HH2 ARG 86 -2.166 0.957 -17.273 673 H LEU 87 H LEU 87 0.638 -6.768 -16.864 674 HA LEU 87 HA LEU 87 2.476 -6.593 -19.107 675 1HB LEU 87 2HB LEU 87 2.753 -4.974 -17.351 676 2HB LEU 87 1HB LEU 87 2.820 -6.233 -16.133 677 HG LEU 87 HG LEU 87 4.945 -7.029 -17.156 678 1HD1 LEU 87 1HD1 LEU 87 4.740 -4.477 -18.746 679 2HD1 LEU 87 2HD1 LEU 87 4.667 -6.116 -19.393 680 3HD1 LEU 87 3HD1 LEU 87 6.157 -5.523 -18.658 681 1HD2 LEU 87 1HD2 LEU 87 4.917 -4.171 -16.204 682 2HD2 LEU 87 2HD2 LEU 87 6.322 -5.237 -16.223 683 3HD2 LEU 87 3HD2 LEU 87 4.947 -5.608 -15.181 684 H GLU 88 H GLU 88 1.997 -8.546 -16.206 685 HA GLU 88 HA GLU 88 2.802 -10.515 -15.488 686 1HB GLU 88 2HB GLU 88 2.220 -11.007 -18.357 687 2HB GLU 88 1HB GLU 88 3.091 -12.249 -17.473 688 1HG GLU 88 2HG GLU 88 1.206 -12.053 -15.744 689 2HG GLU 88 1HG GLU 88 0.324 -11.213 -17.020 690 H HIS 89 H HIS 89 4.447 -11.195 -18.461 691 HA HIS 89 HA HIS 89 7.030 -10.644 -17.251 692 1HB HIS 89 2HB HIS 89 7.715 -13.076 -17.778 693 2HB HIS 89 1HB HIS 89 6.782 -12.775 -16.319 694 HD1 HIS 89 1HD HIS 89 6.477 -14.298 -19.756 695 HD2 HIS 89 2HD HIS 89 4.299 -13.994 -16.224 696 HE1 HIS 89 1HE HIS 89 4.553 -15.897 -20.003 697 HE2 HIS 89 2HE HIS 89 3.136 -15.526 -17.955 698 H HIS 90 H HIS 90 5.865 -9.455 -19.489 699 HA HIS 90 HA HIS 90 6.899 -10.477 -21.913 700 1HB HIS 90 2HB HIS 90 6.260 -7.682 -20.988 701 2HB HIS 90 1HB HIS 90 6.955 -7.981 -22.577 702 HD1 HIS 90 1HD HIS 90 3.793 -8.295 -20.634 703 HD2 HIS 90 2HD HIS 90 5.228 -9.236 -24.419 704 HE1 HIS 90 1HE HIS 90 1.768 -8.857 -22.001 705 HE2 HIS 90 2HE HIS 90 2.641 -9.217 -24.335 706 H HIS 91 H HIS 91 8.272 -8.556 -19.338 707 HA HIS 91 HA HIS 91 10.926 -9.360 -20.302 708 1HB HIS 91 2HB HIS 91 11.898 -7.327 -19.294 709 2HB HIS 91 1HB HIS 91 10.766 -6.929 -20.576 710 HD1 HIS 91 1HD HIS 91 11.010 -6.909 -16.787 711 HD2 HIS 91 2HD HIS 91 8.722 -5.264 -19.847 712 HE1 HIS 91 1HE HIS 91 9.557 -5.180 -15.694 713 HE2 HIS 91 2HE HIS 91 8.371 -4.037 -17.594 714 H HIS 92 H HIS 92 12.294 -10.203 -18.690 715 HA HIS 92 HA HIS 92 11.045 -10.501 -16.051 716 1HB HIS 92 2HB HIS 92 10.326 -12.428 -17.358 717 2HB HIS 92 1HB HIS 92 11.999 -12.809 -17.752 718 HD1 HIS 92 1HD HIS 92 13.154 -14.378 -16.226 719 HD2 HIS 92 2HD HIS 92 9.781 -12.691 -14.469 720 HE1 HIS 92 1HE HIS 92 12.897 -15.531 -14.004 721 HE2 HIS 92 2HE HIS 92 10.942 -14.386 -12.894 722 H HIS 93 H HIS 93 12.402 -10.008 -14.541 723 HA HIS 93 HA HIS 93 14.810 -11.411 -14.141 724 1HB HIS 93 2HB HIS 93 16.400 -9.500 -14.098 725 2HB HIS 93 1HB HIS 93 15.820 -9.855 -15.718 726 HD1 HIS 93 1HD HIS 93 15.353 -7.822 -17.007 727 HD2 HIS 93 2HD HIS 93 14.714 -7.232 -12.936 728 HE1 HIS 93 1HE HIS 93 14.671 -5.408 -16.764 729 HE2 HIS 93 2HE HIS 93 14.430 -5.041 -14.278 730 H HIS 94 H HIS 94 15.746 -10.882 -12.011 731 HA HIS 94 HA HIS 94 13.660 -10.110 -10.196 732 1HB HIS 94 2HB HIS 94 15.111 -10.787 -8.412 733 2HB HIS 94 1HB HIS 94 15.249 -11.977 -9.696 734 HD1 HIS 94 1HD HIS 94 17.188 -9.508 -7.731 735 HD2 HIS 94 2HD HIS 94 17.776 -11.967 -11.041 736 HE1 HIS 94 1HE HIS 94 19.677 -9.598 -8.080 737 HE2 HIS 94 2HE HIS 94 20.021 -11.088 -10.083 Start of MODEL 5 1 1H MET 1 1HT MET 1 0.474 18.044 6.216 2 2H MET 1 2HT MET 1 0.508 19.706 5.872 3 3H MET 1 3HT MET 1 1.522 19.071 7.071 4 HA MET 1 HA MET 1 1.657 18.432 4.182 5 1HB MET 1 2HB MET 1 2.336 20.760 4.786 6 2HB MET 1 1HB MET 1 3.544 20.089 5.873 7 1HG MET 1 2HG MET 1 4.531 20.789 3.768 8 2HG MET 1 1HG MET 1 4.677 19.047 3.992 9 1HE MET 1 1HE MET 1 4.293 19.315 0.130 10 2HE MET 1 2HE MET 1 5.285 18.751 1.476 11 3HE MET 1 3HE MET 1 5.120 20.480 1.165 12 H TYR 2 H TYR 2 2.060 17.246 7.247 13 HA TYR 2 HA TYR 2 3.241 15.586 8.225 14 1HB TYR 2 2HB TYR 2 3.849 14.875 5.364 15 2HB TYR 2 1HB TYR 2 4.360 13.896 6.732 16 HD1 TYR 2 2HD TYR 2 2.592 12.939 8.252 17 HD2 TYR 2 1HD TYR 2 1.669 14.665 4.483 18 HE1 TYR 2 2HE TYR 2 0.426 11.781 8.260 19 HE2 TYR 2 1HE TYR 2 -0.501 13.512 4.483 20 HH TYR 2 HH TYR 2 -1.800 12.054 7.230 21 H THR 3 H THR 3 4.802 16.395 9.403 22 HA THR 3 HA THR 3 6.977 17.890 8.369 23 HB THR 3 HB THR 3 7.828 17.850 10.699 24 HG1 THR 3 1HG THR 3 6.436 16.774 12.274 25 1HG2 THR 3 1HG2 THR 3 5.918 18.998 11.749 26 2HG2 THR 3 2HG2 THR 3 4.871 18.408 10.459 27 3HG2 THR 3 3HG2 THR 3 6.179 19.532 10.090 28 H ALA 4 H ALA 4 9.247 17.323 8.945 29 HA ALA 4 HA ALA 4 10.043 14.844 7.844 30 1HB ALA 4 1HB ALA 4 12.299 15.443 8.592 31 2HB ALA 4 2HB ALA 4 11.630 16.742 9.580 32 3HB ALA 4 3HB ALA 4 11.498 16.813 7.823 33 H GLU 5 H GLU 5 9.470 15.959 11.095 34 HA GLU 5 HA GLU 5 10.446 13.679 12.472 35 1HB GLU 5 2HB GLU 5 9.960 16.058 13.312 36 2HB GLU 5 1HB GLU 5 8.285 15.541 13.425 37 1HG GLU 5 2HG GLU 5 10.422 13.949 14.754 38 2HG GLU 5 1HG GLU 5 9.842 15.437 15.484 39 H GLN 6 H GLN 6 7.289 14.651 11.234 40 HA GLN 6 HA GLN 6 5.834 12.459 12.291 41 1HB GLN 6 2HB GLN 6 4.842 14.626 11.580 42 2HB GLN 6 1HB GLN 6 5.175 14.200 9.909 43 1HG GLN 6 2HG GLN 6 3.606 12.422 9.965 44 2HG GLN 6 1HG GLN 6 3.419 12.559 11.714 45 1HE2 GLN 6 1HE2 GLN 6 1.174 12.855 11.487 46 2HE2 GLN 6 2HE2 GLN 6 0.515 14.357 10.933 47 H LYS 7 H LYS 7 7.673 12.942 9.365 48 HA LYS 7 HA LYS 7 6.835 10.804 7.807 49 1HB LYS 7 2HB LYS 7 9.592 11.978 8.150 50 2HB LYS 7 1HB LYS 7 9.216 10.752 6.952 51 1HG LYS 7 2HG LYS 7 8.098 13.541 7.107 52 2HG LYS 7 1HG LYS 7 9.212 12.898 5.901 53 1HD LYS 7 2HD LYS 7 7.361 11.195 5.385 54 2HD LYS 7 1HD LYS 7 6.302 12.280 6.286 55 1HE LYS 7 2HE LYS 7 7.873 12.902 3.793 56 2HE LYS 7 1HE LYS 7 6.122 12.810 3.961 57 1HZ LYS 7 1HZ LYS 7 6.673 15.077 3.944 58 2HZ LYS 7 2HZ LYS 7 7.950 14.875 5.039 59 3HZ LYS 7 3HZ LYS 7 6.349 14.718 5.567 60 H ALA 8 H ALA 8 8.769 10.791 10.706 61 HA ALA 8 HA ALA 8 10.171 8.409 10.383 62 1HB ALA 8 1HB ALA 8 10.679 10.034 12.124 63 2HB ALA 8 2HB ALA 8 10.453 8.423 12.805 64 3HB ALA 8 3HB ALA 8 9.175 9.629 12.950 65 H ARG 9 H ARG 9 6.972 8.912 11.928 66 HA ARG 9 HA ARG 9 6.676 6.229 12.746 67 1HB ARG 9 2HB ARG 9 4.636 8.379 12.205 68 2HB ARG 9 1HB ARG 9 4.198 6.786 12.809 69 1HG ARG 9 2HG ARG 9 5.568 7.139 14.778 70 2HG ARG 9 1HG ARG 9 6.065 8.716 14.169 71 1HD ARG 9 2HD ARG 9 4.328 9.008 15.808 72 2HD ARG 9 1HD ARG 9 3.713 9.441 14.217 73 HE ARG 9 HE ARG 9 3.070 6.752 14.687 74 1HH1 ARG 9 1HH1 ARG 9 2.273 9.947 15.911 75 2HH1 ARG 9 2HH1 ARG 9 0.689 9.480 16.451 76 1HH2 ARG 9 1HH2 ARG 9 0.976 6.149 15.366 77 2HH2 ARG 9 2HH2 ARG 9 -0.056 7.329 16.132 78 H ILE 10 H ILE 10 6.011 7.833 9.738 79 HA ILE 10 HA ILE 10 4.512 5.737 8.529 80 HB ILE 10 HB ILE 10 6.226 7.802 7.138 81 1HG1 ILE 10 2HG1 ILE 10 3.306 7.999 7.912 82 2HG1 ILE 10 1HG1 ILE 10 4.619 8.828 8.742 83 1HG2 ILE 10 1HG2 ILE 10 5.511 6.000 5.686 84 2HG2 ILE 10 2HG2 ILE 10 4.647 7.483 5.279 85 3HG2 ILE 10 3HG2 ILE 10 3.838 6.215 6.200 86 1HD1 ILE 10 1HD1 ILE 10 3.790 9.237 5.877 87 2HD1 ILE 10 2HD1 ILE 10 5.129 10.052 6.685 88 3HD1 ILE 10 3HD1 ILE 10 3.474 10.326 7.227 89 H LYS 11 H LYS 11 7.912 6.716 8.348 90 HA LYS 11 HA LYS 11 8.688 4.708 6.510 91 1HB LYS 11 2HB LYS 11 9.859 6.862 6.826 92 2HB LYS 11 1HB LYS 11 10.397 6.317 8.408 93 1HG LYS 11 2HG LYS 11 11.772 4.637 7.458 94 2HG LYS 11 1HG LYS 11 11.073 4.881 5.856 95 1HD LYS 11 2HD LYS 11 12.007 7.134 5.781 96 2HD LYS 11 1HD LYS 11 12.682 6.916 7.393 97 1HE LYS 11 2HE LYS 11 14.139 5.173 6.602 98 2HE LYS 11 1HE LYS 11 13.384 5.212 5.011 99 1HZ LYS 11 1HZ LYS 11 15.566 6.428 5.250 100 2HZ LYS 11 2HZ LYS 11 14.726 7.581 6.169 101 3HZ LYS 11 3HZ LYS 11 14.289 7.310 4.555 102 H TRP 12 H TRP 12 8.824 4.907 10.045 103 HA TRP 12 HA TRP 12 10.357 2.558 10.449 104 1HB TRP 12 2HB TRP 12 8.503 4.140 12.218 105 2HB TRP 12 1HB TRP 12 9.230 2.640 12.774 106 HD1 TRP 12 HD TRP 12 10.737 5.728 10.948 107 HE1 TRP 12 1HE TRP 12 12.838 6.460 12.245 108 HE3 TRP 12 3HE TRP 12 10.585 2.277 14.711 109 HZ2 TRP 12 2HZ TRP 12 14.244 5.659 14.574 110 HZ3 TRP 12 3HZ TRP 12 12.343 2.318 16.431 111 HH2 TRP 12 HH TRP 12 14.135 3.975 16.363 112 H ALA 13 H ALA 13 7.054 3.060 9.610 113 HA ALA 13 HA ALA 13 6.378 0.294 10.371 114 1HB ALA 13 1HB ALA 13 4.535 2.648 9.974 115 2HB ALA 13 2HB ALA 13 5.036 1.963 11.524 116 3HB ALA 13 3HB ALA 13 4.050 1.012 10.414 117 H CYS 14 H CYS 14 7.721 1.302 7.894 118 HA CYS 14 HA CYS 14 5.930 1.300 5.728 119 1HB CYS 14 2HB CYS 14 8.204 2.180 5.554 120 2HB CYS 14 1HB CYS 14 8.862 0.563 5.790 121 HG CYS 14 HG CYS 14 7.222 -0.192 3.361 122 H ARG 15 H ARG 15 7.337 -1.271 7.550 123 HA ARG 15 HA ARG 15 6.928 -3.493 7.649 124 1HB ARG 15 2HB ARG 15 4.951 -3.124 5.391 125 2HB ARG 15 1HB ARG 15 5.085 -4.515 6.456 126 1HG ARG 15 2HG ARG 15 4.681 -2.649 8.307 127 2HG ARG 15 1HG ARG 15 3.881 -1.857 6.947 128 1HD ARG 15 2HD ARG 15 2.221 -3.127 8.073 129 2HD ARG 15 1HD ARG 15 2.610 -3.999 6.589 130 HE ARG 15 HE ARG 15 4.247 -4.974 8.643 131 1HH1 ARG 15 1HH1 ARG 15 0.851 -4.996 7.702 132 2HH1 ARG 15 2HH1 ARG 15 0.529 -6.488 8.553 133 1HH2 ARG 15 1HH2 ARG 15 3.778 -6.926 9.743 134 2HH2 ARG 15 2HH2 ARG 15 2.158 -7.552 9.710 135 H ARG 16 H ARG 16 7.159 -5.533 6.366 136 HA ARG 16 HA ARG 16 8.586 -5.264 3.828 137 1HB ARG 16 2HB ARG 16 9.811 -6.338 6.363 138 2HB ARG 16 1HB ARG 16 10.378 -6.832 4.778 139 1HG ARG 16 2HG ARG 16 10.364 -4.027 5.865 140 2HG ARG 16 1HG ARG 16 11.773 -5.075 5.677 141 1HD ARG 16 2HD ARG 16 11.393 -5.123 3.251 142 2HD ARG 16 1HD ARG 16 10.011 -4.046 3.455 143 HE ARG 16 HE ARG 16 12.741 -3.237 4.217 144 1HH1 ARG 16 1HH1 ARG 16 9.714 -2.662 2.553 145 2HH1 ARG 16 2HH1 ARG 16 10.165 -1.054 2.050 146 1HH2 ARG 16 1HH2 ARG 16 13.328 -1.123 3.565 147 2HH2 ARG 16 2HH2 ARG 16 12.204 -0.184 2.625 148 H GLY 17 H GLY 17 6.109 -6.465 5.033 149 1HA GLY 17 2HA GLY 17 6.271 -9.181 5.510 150 2HA GLY 17 1HA GLY 17 4.833 -8.359 4.943 151 H MET 18 H MET 18 5.811 -7.620 2.331 152 HA MET 18 HA MET 18 6.274 -10.197 1.061 153 1HB MET 18 2HB MET 18 3.877 -10.266 1.490 154 2HB MET 18 1HB MET 18 3.671 -8.690 0.743 155 1HG MET 18 2HG MET 18 2.939 -10.360 -0.786 156 2HG MET 18 1HG MET 18 4.431 -9.657 -1.402 157 1HE MET 18 1HE MET 18 4.551 -13.417 -2.580 158 2HE MET 18 2HE MET 18 4.541 -11.734 -3.103 159 3HE MET 18 3HE MET 18 3.094 -12.443 -2.386 160 H LEU 19 H LEU 19 7.431 -9.928 -0.757 161 HA LEU 19 HA LEU 19 8.397 -7.450 -1.561 162 1HB LEU 19 2HB LEU 19 8.239 -10.048 -3.080 163 2HB LEU 19 1HB LEU 19 9.142 -8.655 -3.625 164 HG LEU 19 HG LEU 19 9.672 -10.198 -1.089 165 1HD1 LEU 19 1HD1 LEU 19 10.281 -11.462 -3.067 166 2HD1 LEU 19 2HD1 LEU 19 11.728 -10.892 -2.236 167 3HD1 LEU 19 3HD1 LEU 19 11.174 -10.081 -3.700 168 1HD2 LEU 19 1HD2 LEU 19 11.163 -7.895 -2.340 169 2HD2 LEU 19 2HD2 LEU 19 11.698 -8.829 -0.943 170 3HD2 LEU 19 3HD2 LEU 19 10.239 -7.845 -0.840 171 H GLU 20 H GLU 20 5.789 -9.388 -3.018 172 HA GLU 20 HA GLU 20 5.224 -7.741 -5.191 173 1HB GLU 20 2HB GLU 20 3.534 -9.628 -3.586 174 2HB GLU 20 1HB GLU 20 2.835 -8.688 -4.897 175 1HG GLU 20 2HG GLU 20 5.169 -10.566 -5.169 176 2HG GLU 20 1HG GLU 20 3.499 -10.940 -5.590 177 H LEU 21 H LEU 21 4.354 -7.398 -1.833 178 HA LEU 21 HA LEU 21 2.513 -5.223 -2.283 179 1HB LEU 21 2HB LEU 21 3.718 -6.533 0.134 180 2HB LEU 21 1HB LEU 21 2.960 -4.965 0.296 181 HG LEU 21 HG LEU 21 1.504 -6.890 0.925 182 1HD1 LEU 21 1HD1 LEU 21 -0.483 -6.066 -0.166 183 2HD1 LEU 21 2HD1 LEU 21 0.495 -5.273 -1.405 184 3HD1 LEU 21 3HD1 LEU 21 0.574 -4.720 0.269 185 1HD2 LEU 21 1HD2 LEU 21 0.478 -8.210 -0.874 186 2HD2 LEU 21 2HD2 LEU 21 2.207 -8.511 -0.726 187 3HD2 LEU 21 3HD2 LEU 21 1.599 -7.488 -2.027 188 H ASP 22 H ASP 22 5.732 -5.580 -0.837 189 HA ASP 22 HA ASP 22 6.265 -2.949 -0.237 190 1HB ASP 22 2HB ASP 22 7.958 -5.325 -0.828 191 2HB ASP 22 1HB ASP 22 8.744 -3.755 -0.740 192 H VAL 23 H VAL 23 6.893 -4.612 -3.322 193 HA VAL 23 HA VAL 23 8.397 -2.447 -4.393 194 HB VAL 23 HB VAL 23 8.280 -3.597 -6.548 195 1HG1 VAL 23 1HG1 VAL 23 9.948 -4.297 -4.921 196 2HG1 VAL 23 2HG1 VAL 23 9.398 -5.668 -5.884 197 3HG1 VAL 23 3HG1 VAL 23 8.809 -5.453 -4.234 198 1HG2 VAL 23 1HG2 VAL 23 6.397 -5.490 -5.147 199 2HG2 VAL 23 2HG2 VAL 23 7.109 -5.754 -6.740 200 3HG2 VAL 23 3HG2 VAL 23 5.997 -4.409 -6.481 201 H VAL 24 H VAL 24 4.987 -2.987 -4.183 202 HA VAL 24 HA VAL 24 4.564 -1.007 -6.318 203 HB VAL 24 HB VAL 24 2.257 -1.752 -6.455 204 1HG1 VAL 24 1HG1 VAL 24 4.223 -4.033 -6.607 205 2HG1 VAL 24 2HG1 VAL 24 3.881 -2.855 -7.874 206 3HG1 VAL 24 3HG1 VAL 24 2.632 -3.995 -7.371 207 1HG2 VAL 24 1HG2 VAL 24 2.995 -3.758 -4.328 208 2HG2 VAL 24 2HG2 VAL 24 1.489 -3.745 -5.244 209 3HG2 VAL 24 3HG2 VAL 24 1.870 -2.409 -4.157 210 H ILE 25 H ILE 25 4.921 -1.011 -3.103 211 HA ILE 25 HA ILE 25 2.774 0.938 -2.625 212 HB ILE 25 HB ILE 25 4.537 -0.547 -0.672 213 1HG1 ILE 25 2HG1 ILE 25 1.547 -0.635 -1.157 214 2HG1 ILE 25 1HG1 ILE 25 2.705 -1.866 -1.655 215 1HG2 ILE 25 1HG2 ILE 25 2.438 1.545 -0.113 216 2HG2 ILE 25 2HG2 ILE 25 4.171 1.690 0.175 217 3HG2 ILE 25 3HG2 ILE 25 3.219 0.532 1.105 218 1HD1 ILE 25 1HD1 ILE 25 2.090 -1.078 1.185 219 2HD1 ILE 25 2HD1 ILE 25 3.217 -2.335 0.676 220 3HD1 ILE 25 3HD1 ILE 25 1.493 -2.515 0.355 221 H MET 26 H MET 26 6.295 0.554 -2.088 222 HA MET 26 HA MET 26 6.677 3.012 -0.838 223 1HB MET 26 2HB MET 26 8.299 1.120 -0.849 224 2HB MET 26 1HB MET 26 8.706 1.523 -2.510 225 1HG MET 26 2HG MET 26 8.995 3.505 -0.276 226 2HG MET 26 1HG MET 26 10.262 2.346 -0.677 227 1HE MET 26 1HE MET 26 10.580 5.541 -0.617 228 2HE MET 26 2HE MET 26 11.573 5.805 -2.048 229 3HE MET 26 3HE MET 26 11.917 4.450 -0.972 230 HA PRO 27 HA PRO 27 7.855 5.090 -4.989 231 1HB PRO 27 2HB PRO 27 7.337 3.834 -7.331 232 2HB PRO 27 1HB PRO 27 8.857 3.619 -6.455 233 1HG PRO 27 2HG PRO 27 6.451 1.841 -6.546 234 2HG PRO 27 1HG PRO 27 8.170 1.406 -6.597 235 1HD PRO 27 2HD PRO 27 6.650 1.223 -4.348 236 2HD PRO 27 1HD PRO 27 8.397 1.529 -4.319 237 H PHE 28 H PHE 28 5.000 3.091 -4.847 238 HA PHE 28 HA PHE 28 3.376 4.686 -6.546 239 1HB PHE 28 2HB PHE 28 2.797 2.359 -6.086 240 2HB PHE 28 1HB PHE 28 2.582 2.733 -4.379 241 HD1 PHE 28 1HD PHE 28 1.322 3.750 -7.734 242 HD2 PHE 28 2HD PHE 28 0.478 3.217 -3.593 243 HE1 PHE 28 1HE PHE 28 -1.042 4.286 -8.150 244 HE2 PHE 28 2HE PHE 28 -1.886 3.748 -4.005 245 HZ PHE 28 HZ PHE 28 -2.648 4.282 -6.284 246 H PHE 29 H PHE 29 4.019 4.645 -3.080 247 HA PHE 29 HA PHE 29 2.096 6.502 -2.261 248 1HB PHE 29 2HB PHE 29 3.466 5.206 -0.680 249 2HB PHE 29 1HB PHE 29 4.899 6.094 -1.183 250 HD1 PHE 29 2HD PHE 29 1.575 6.507 0.407 251 HD2 PHE 29 1HD PHE 29 5.483 8.096 -0.137 252 HE1 PHE 29 2HE PHE 29 1.126 8.197 2.141 253 HE2 PHE 29 1HE PHE 29 5.042 9.791 1.589 254 HZ PHE 29 HZ PHE 29 2.860 9.844 2.733 255 H GLU 30 H GLU 30 5.283 6.952 -3.673 256 HA GLU 30 HA GLU 30 5.409 9.759 -3.403 257 1HB GLU 30 2HB GLU 30 6.674 8.062 -5.560 258 2HB GLU 30 1HB GLU 30 7.192 9.658 -5.041 259 1HG GLU 30 2HG GLU 30 7.477 8.541 -2.736 260 2HG GLU 30 1HG GLU 30 7.472 7.039 -3.652 261 H GLU 31 H GLU 31 4.201 7.639 -5.917 262 HA GLU 31 HA GLU 31 3.591 9.681 -7.802 263 1HB GLU 31 2HB GLU 31 2.455 6.893 -7.554 264 2HB GLU 31 1HB GLU 31 2.286 7.939 -8.954 265 1HG GLU 31 2HG GLU 31 4.739 7.890 -9.237 266 2HG GLU 31 1HG GLU 31 4.838 6.750 -7.892 267 H CYS 32 H CYS 32 1.596 7.824 -5.535 268 HA CYS 32 HA CYS 32 -0.828 9.021 -6.459 269 1HB CYS 32 2HB CYS 32 -0.431 6.668 -5.433 270 2HB CYS 32 1HB CYS 32 -0.575 7.494 -3.887 271 HG CYS 32 HG CYS 32 -3.002 7.541 -6.298 272 H PHE 33 H PHE 33 1.494 9.808 -4.031 273 HA PHE 33 HA PHE 33 -0.013 11.315 -2.248 274 1HB PHE 33 2HB PHE 33 2.222 10.981 -1.642 275 2HB PHE 33 1HB PHE 33 2.828 11.489 -3.211 276 HD1 PHE 33 2HD PHE 33 1.199 12.758 -0.122 277 HD2 PHE 33 1HD PHE 33 3.574 13.679 -3.530 278 HE1 PHE 33 2HE PHE 33 1.627 15.004 0.787 279 HE2 PHE 33 1HE PHE 33 4.011 15.923 -2.624 280 HZ PHE 33 HZ PHE 33 3.035 16.589 -0.462 281 H ASP 34 H ASP 34 1.191 12.127 -5.442 282 HA ASP 34 HA ASP 34 0.578 14.875 -5.435 283 1HB ASP 34 2HB ASP 34 2.000 13.986 -7.147 284 2HB ASP 34 1HB ASP 34 0.761 12.853 -7.671 285 H SER 35 H SER 35 -1.416 12.048 -5.924 286 HA SER 35 HA SER 35 -3.641 13.656 -6.907 287 1HB SER 35 2HB SER 35 -3.109 11.497 -8.004 288 2HB SER 35 1HB SER 35 -3.432 10.665 -6.485 289 HG SER 35 HG SER 35 -5.373 12.311 -7.736 290 H LEU 36 H LEU 36 -2.650 11.850 -4.061 291 HA LEU 36 HA LEU 36 -5.281 11.943 -2.867 292 1HB LEU 36 2HB LEU 36 -2.653 11.040 -1.695 293 2HB LEU 36 1HB LEU 36 -4.224 10.826 -0.953 294 HG LEU 36 HG LEU 36 -3.248 9.535 -3.495 295 1HD1 LEU 36 1HD1 LEU 36 -3.426 7.467 -2.221 296 2HD1 LEU 36 2HD1 LEU 36 -3.926 8.378 -0.795 297 3HD1 LEU 36 3HD1 LEU 36 -2.304 8.591 -1.454 298 1HD2 LEU 36 1HD2 LEU 36 -5.380 8.305 -3.459 299 2HD2 LEU 36 2HD2 LEU 36 -5.616 10.037 -3.693 300 3HD2 LEU 36 3HD2 LEU 36 -5.924 9.310 -2.116 301 H THR 37 H THR 37 -5.448 12.644 -0.560 302 HA THR 37 HA THR 37 -3.893 15.083 -0.048 303 HB THR 37 HB THR 37 -5.930 15.756 1.356 304 HG1 THR 37 1HG THR 37 -7.918 14.783 0.502 305 1HG2 THR 37 1HG2 THR 37 -6.239 15.583 -1.641 306 2HG2 THR 37 2HG2 THR 37 -5.349 16.830 -0.769 307 3HG2 THR 37 3HG2 THR 37 -7.097 16.695 -0.574 308 H GLU 38 H GLU 38 -3.890 15.605 2.383 309 HA GLU 38 HA GLU 38 -2.534 13.523 3.695 310 1HB GLU 38 2HB GLU 38 -3.716 16.086 4.751 311 2HB GLU 38 1HB GLU 38 -2.681 15.026 5.694 312 1HG GLU 38 2HG GLU 38 -0.949 15.298 3.949 313 2HG GLU 38 1HG GLU 38 -1.978 16.489 3.168 314 H SER 39 H SER 39 -5.875 14.583 3.902 315 HA SER 39 HA SER 39 -6.762 13.109 6.061 316 1HB SER 39 2HB SER 39 -8.304 13.439 3.482 317 2HB SER 39 1HB SER 39 -8.942 13.334 5.121 318 HG SER 39 HG SER 39 -8.924 15.483 4.398 319 H GLU 40 H GLU 40 -6.383 12.075 2.689 320 HA GLU 40 HA GLU 40 -7.236 9.389 3.128 321 1HB GLU 40 2HB GLU 40 -5.514 10.526 0.916 322 2HB GLU 40 1HB GLU 40 -6.346 8.980 0.883 323 1HG GLU 40 2HG GLU 40 -7.701 11.661 1.057 324 2HG GLU 40 1HG GLU 40 -7.484 10.723 -0.421 325 H GLN 41 H GLN 41 -4.127 11.032 2.985 326 HA GLN 41 HA GLN 41 -2.466 8.771 3.100 327 1HB GLN 41 2HB GLN 41 -2.029 11.633 3.934 328 2HB GLN 41 1HB GLN 41 -0.756 10.428 3.948 329 1HG GLN 41 2HG GLN 41 -1.111 10.075 1.532 330 2HG GLN 41 1HG GLN 41 -2.304 11.374 1.549 331 1HE2 GLN 41 1HE2 GLN 41 -1.598 13.513 1.835 332 2HE2 GLN 41 2HE2 GLN 41 0.054 13.959 1.614 333 H ASP 42 H ASP 42 -3.935 10.732 5.618 334 HA ASP 42 HA ASP 42 -2.580 9.807 7.863 335 1HB ASP 42 2HB ASP 42 -4.054 11.686 8.045 336 2HB ASP 42 1HB ASP 42 -5.431 10.737 7.504 337 H ASP 43 H ASP 43 -5.490 8.548 6.321 338 HA ASP 43 HA ASP 43 -5.986 6.446 8.128 339 1HB ASP 43 2HB ASP 43 -7.551 7.374 6.361 340 2HB ASP 43 1HB ASP 43 -6.646 6.433 5.181 341 H PHE 44 H PHE 44 -4.070 6.629 5.168 342 HA PHE 44 HA PHE 44 -3.286 3.918 5.082 343 1HB PHE 44 2HB PHE 44 -3.053 5.328 3.133 344 2HB PHE 44 1HB PHE 44 -1.964 6.411 3.992 345 HD1 PHE 44 2HD PHE 44 -2.267 2.873 2.863 346 HD2 PHE 44 1HD PHE 44 0.320 6.116 3.816 347 HE1 PHE 44 2HE PHE 44 -0.341 1.569 2.058 348 HE2 PHE 44 1HE PHE 44 2.248 4.820 3.009 349 HZ PHE 44 HZ PHE 44 1.920 2.543 2.128 350 H VAL 45 H VAL 45 -1.775 6.777 6.557 351 HA VAL 45 HA VAL 45 0.596 5.510 7.403 352 HB VAL 45 HB VAL 45 -0.806 7.920 8.565 353 1HG1 VAL 45 1HG1 VAL 45 1.345 8.482 9.588 354 2HG1 VAL 45 2HG1 VAL 45 2.021 6.962 9.003 355 3HG1 VAL 45 3HG1 VAL 45 0.724 6.949 10.199 356 1HG2 VAL 45 1HG2 VAL 45 1.468 7.692 6.600 357 2HG2 VAL 45 2HG2 VAL 45 0.864 9.197 7.288 358 3HG2 VAL 45 3HG2 VAL 45 -0.175 8.226 6.244 359 H ALA 46 H ALA 46 -2.482 6.077 9.083 360 HA ALA 46 HA ALA 46 -1.728 5.013 11.565 361 1HB ALA 46 1HB ALA 46 -3.764 6.346 11.225 362 2HB ALA 46 2HB ALA 46 -4.101 4.816 12.033 363 3HB ALA 46 3HB ALA 46 -4.477 5.007 10.322 364 H LEU 47 H LEU 47 -2.903 3.475 8.638 365 HA LEU 47 HA LEU 47 -3.370 0.903 9.655 366 1HB LEU 47 2HB LEU 47 -4.160 1.517 7.474 367 2HB LEU 47 1HB LEU 47 -2.526 1.834 6.916 368 HG LEU 47 HG LEU 47 -2.050 -0.624 7.318 369 1HD1 LEU 47 1HD1 LEU 47 -3.973 -2.123 7.343 370 2HD1 LEU 47 2HD1 LEU 47 -5.055 -0.735 7.468 371 3HD1 LEU 47 3HD1 LEU 47 -3.930 -1.101 8.777 372 1HD2 LEU 47 1HD2 LEU 47 -3.031 -1.290 5.190 373 2HD2 LEU 47 2HD2 LEU 47 -2.355 0.334 5.096 374 3HD2 LEU 47 3HD2 LEU 47 -4.099 0.112 5.233 375 H LEU 48 H LEU 48 -0.428 2.447 8.476 376 HA LEU 48 HA LEU 48 1.110 0.152 8.087 377 1HB LEU 48 2HB LEU 48 1.964 2.956 8.790 378 2HB LEU 48 1HB LEU 48 3.061 1.692 8.265 379 HG LEU 48 HG LEU 48 0.805 2.859 6.632 380 1HD1 LEU 48 1HD1 LEU 48 3.796 3.144 6.376 381 2HD1 LEU 48 2HD1 LEU 48 2.674 4.397 6.904 382 3HD1 LEU 48 3HD1 LEU 48 2.597 3.784 5.252 383 1HD2 LEU 48 1HD2 LEU 48 2.900 0.825 5.874 384 2HD2 LEU 48 2HD2 LEU 48 1.680 1.518 4.805 385 3HD2 LEU 48 3HD2 LEU 48 1.191 0.485 6.149 386 H GLU 49 H GLU 49 0.511 2.000 11.016 387 HA GLU 49 HA GLU 49 2.543 0.646 12.536 388 1HB GLU 49 2HB GLU 49 0.205 2.304 13.493 389 2HB GLU 49 1HB GLU 49 1.564 1.784 14.478 390 1HG GLU 49 2HG GLU 49 3.063 3.085 12.968 391 2HG GLU 49 1HG GLU 49 1.621 3.707 12.165 392 H SER 50 H SER 50 -0.558 -0.104 11.486 393 HA SER 50 HA SER 50 -1.040 -2.044 13.628 394 1HB SER 50 2HB SER 50 -2.838 -0.415 12.644 395 2HB SER 50 1HB SER 50 -2.879 -1.548 11.291 396 HG SER 50 HG SER 50 -4.102 -1.735 13.641 397 H ASP 51 H ASP 51 -2.550 -3.819 11.831 398 HA ASP 51 HA ASP 51 -0.342 -4.860 10.208 399 1HB ASP 51 2HB ASP 51 -1.188 -6.127 12.434 400 2HB ASP 51 1HB ASP 51 -2.306 -6.814 11.260 401 H ASP 52 H ASP 52 -1.302 -6.604 8.615 402 HA ASP 52 HA ASP 52 -3.635 -5.325 7.331 403 1HB ASP 52 2HB ASP 52 -1.159 -6.372 5.934 404 2HB ASP 52 1HB ASP 52 -2.566 -5.664 5.151 405 HA PRO 53 HA PRO 53 -4.063 -9.969 7.601 406 1HB PRO 53 2HB PRO 53 -6.591 -9.614 8.963 407 2HB PRO 53 1HB PRO 53 -5.122 -10.387 9.559 408 1HG PRO 53 2HG PRO 53 -6.104 -8.023 10.538 409 2HG PRO 53 1HG PRO 53 -4.394 -8.485 10.601 410 1HD PRO 53 2HD PRO 53 -5.795 -6.647 8.701 411 2HD PRO 53 1HD PRO 53 -4.188 -6.494 9.444 412 H ASP 54 H ASP 54 -6.947 -7.890 7.439 413 HA ASP 54 HA ASP 54 -8.231 -9.498 5.477 414 1HB ASP 54 2HB ASP 54 -9.812 -7.533 5.323 415 2HB ASP 54 1HB ASP 54 -9.625 -8.220 6.933 416 H LEU 55 H LEU 55 -6.337 -6.529 5.372 417 HA LEU 55 HA LEU 55 -6.874 -5.891 2.685 418 1HB LEU 55 2HB LEU 55 -4.549 -5.136 4.449 419 2HB LEU 55 1HB LEU 55 -4.898 -4.408 2.893 420 HG LEU 55 HG LEU 55 -6.678 -4.301 5.326 421 1HD1 LEU 55 1HD1 LEU 55 -6.154 -1.920 5.316 422 2HD1 LEU 55 2HD1 LEU 55 -5.044 -2.170 3.968 423 3HD1 LEU 55 3HD1 LEU 55 -4.707 -2.903 5.537 424 1HD2 LEU 55 1HD2 LEU 55 -8.056 -2.773 4.017 425 2HD2 LEU 55 2HD2 LEU 55 -7.978 -4.362 3.257 426 3HD2 LEU 55 3HD2 LEU 55 -7.020 -3.028 2.612 427 H PHE 56 H PHE 56 -4.268 -7.788 4.165 428 HA PHE 56 HA PHE 56 -2.747 -8.340 1.913 429 1HB PHE 56 2HB PHE 56 -2.356 -9.049 4.352 430 2HB PHE 56 1HB PHE 56 -3.422 -10.405 4.008 431 HD1 PHE 56 2HD PHE 56 -0.228 -8.810 3.061 432 HD2 PHE 56 1HD PHE 56 -2.640 -12.315 2.876 433 HE1 PHE 56 2HE PHE 56 1.685 -10.078 2.175 434 HE2 PHE 56 1HE PHE 56 -0.728 -13.586 1.997 435 HZ PHE 56 HZ PHE 56 1.438 -12.468 1.643 436 H ALA 57 H ALA 57 -5.789 -9.703 3.001 437 HA ALA 57 HA ALA 57 -5.909 -11.799 1.073 438 1HB ALA 57 1HB ALA 57 -8.147 -10.539 2.653 439 2HB ALA 57 2HB ALA 57 -7.134 -11.875 3.202 440 3HB ALA 57 3HB ALA 57 -8.198 -12.089 1.813 441 H TRP 58 H TRP 58 -6.961 -8.436 1.126 442 HA TRP 58 HA TRP 58 -8.573 -8.514 -1.179 443 1HB TRP 58 2HB TRP 58 -7.022 -6.311 0.149 444 2HB TRP 58 1HB TRP 58 -7.853 -6.034 -1.379 445 HD1 TRP 58 HD TRP 58 -8.775 -7.463 2.095 446 HE1 TRP 58 1HE TRP 58 -11.125 -6.628 2.704 447 HE3 TRP 58 3HE TRP 58 -9.821 -4.853 -2.164 448 HZ2 TRP 58 2HZ TRP 58 -13.164 -5.071 1.526 449 HZ3 TRP 58 3HZ TRP 58 -11.999 -3.717 -2.344 450 HH2 TRP 58 HH TRP 58 -13.634 -3.827 -0.537 451 H VAL 59 H VAL 59 -5.116 -7.874 -0.758 452 HA VAL 59 HA VAL 59 -4.510 -7.429 -3.476 453 HB VAL 59 HB VAL 59 -2.672 -8.605 -1.383 454 1HG1 VAL 59 1HG1 VAL 59 -0.881 -7.642 -2.718 455 2HG1 VAL 59 2HG1 VAL 59 -2.057 -7.037 -3.883 456 3HG1 VAL 59 3HG1 VAL 59 -1.835 -8.774 -3.678 457 1HG2 VAL 59 1HG2 VAL 59 -1.962 -6.270 -0.978 458 2HG2 VAL 59 2HG2 VAL 59 -3.639 -6.567 -0.522 459 3HG2 VAL 59 3HG2 VAL 59 -3.271 -5.720 -2.024 460 H MET 60 H MET 60 -4.683 -10.351 -1.516 461 HA MET 60 HA MET 60 -3.752 -12.066 -3.629 462 1HB MET 60 2HB MET 60 -4.996 -12.653 -0.942 463 2HB MET 60 1HB MET 60 -4.475 -13.905 -2.062 464 1HG MET 60 2HG MET 60 -2.705 -11.793 -0.849 465 2HG MET 60 1HG MET 60 -2.814 -13.473 -0.327 466 1HE MET 60 1HE MET 60 -0.111 -13.573 -0.581 467 2HE MET 60 2HE MET 60 -0.115 -11.906 -1.155 468 3HE MET 60 3HE MET 60 0.725 -13.153 -2.076 469 H GLY 61 H GLY 61 -6.677 -10.560 -2.963 470 1HA GLY 61 2HA GLY 61 -8.448 -10.479 -4.465 471 2HA GLY 61 1HA GLY 61 -7.811 -11.906 -5.261 472 H HIS 62 H HIS 62 -8.355 -11.916 -1.812 473 HA HIS 62 HA HIS 62 -10.997 -13.083 -2.050 474 1HB HIS 62 2HB HIS 62 -8.578 -14.724 -1.564 475 2HB HIS 62 1HB HIS 62 -9.964 -15.058 -0.538 476 HD1 HIS 62 1HD HIS 62 -12.150 -14.606 -2.793 477 HD2 HIS 62 2HD HIS 62 -8.743 -16.971 -3.116 478 HE1 HIS 62 1HE HIS 62 -12.665 -16.300 -4.575 479 HE2 HIS 62 2HE HIS 62 -10.665 -17.834 -4.615 480 H GLY 63 H GLY 63 -11.433 -11.182 -0.714 481 1HA GLY 63 2HA GLY 63 -11.752 -11.883 1.964 482 2HA GLY 63 1HA GLY 63 -10.288 -10.920 1.863 483 H ARG 64 H ARG 64 -12.806 -10.382 3.205 484 HA ARG 64 HA ARG 64 -13.626 -7.920 1.829 485 1HB ARG 64 2HB ARG 64 -14.858 -9.331 4.208 486 2HB ARG 64 1HB ARG 64 -15.471 -7.856 3.475 487 1HG ARG 64 2HG ARG 64 -15.963 -9.046 1.422 488 2HG ARG 64 1HG ARG 64 -15.261 -10.525 2.088 489 1HD ARG 64 2HD ARG 64 -17.690 -9.060 3.124 490 2HD ARG 64 1HD ARG 64 -17.678 -10.599 2.259 491 HE ARG 64 HE ARG 64 -16.314 -11.420 4.223 492 1HH1 ARG 64 1HH1 ARG 64 -18.760 -8.919 4.507 493 2HH1 ARG 64 2HH1 ARG 64 -18.993 -9.179 6.210 494 1HH2 ARG 64 1HH2 ARG 64 -16.635 -11.762 6.449 495 2HH2 ARG 64 2HH2 ARG 64 -17.783 -10.788 7.319 496 H CYS 65 H CYS 65 -14.121 -6.106 3.595 497 HA CYS 65 HA CYS 65 -11.826 -6.066 5.449 498 1HB CYS 65 2HB CYS 65 -11.493 -4.651 3.385 499 2HB CYS 65 1HB CYS 65 -12.853 -3.671 3.919 500 HG CYS 65 HG CYS 65 -9.874 -4.058 5.565 501 H GLU 66 H GLU 66 -12.093 -4.730 7.333 502 HA GLU 66 HA GLU 66 -14.691 -4.850 8.476 503 1HB GLU 66 2HB GLU 66 -12.195 -3.403 9.374 504 2HB GLU 66 1HB GLU 66 -13.658 -3.544 10.339 505 1HG GLU 66 2HG GLU 66 -11.950 -5.829 9.384 506 2HG GLU 66 1HG GLU 66 -11.957 -5.152 11.011 507 H ASN 67 H ASN 67 -12.693 -2.233 7.199 508 HA ASN 67 HA ASN 67 -15.116 -0.677 6.752 509 1HB ASN 67 2HB ASN 67 -13.957 1.404 7.517 510 2HB ASN 67 1HB ASN 67 -14.330 0.273 8.809 511 1HD2 ASN 67 1HD2 ASN 67 -12.360 2.426 8.649 512 2HD2 ASN 67 2HD2 ASN 67 -10.829 1.688 8.994 513 H LEU 68 H LEU 68 -15.160 0.309 4.835 514 HA LEU 68 HA LEU 68 -13.234 -0.652 2.955 515 1HB LEU 68 2HB LEU 68 -15.672 1.075 2.663 516 2HB LEU 68 1HB LEU 68 -14.677 0.580 1.311 517 HG LEU 68 HG LEU 68 -16.242 -1.235 3.148 518 1HD1 LEU 68 1HD1 LEU 68 -17.602 -0.032 1.510 519 2HD1 LEU 68 2HD1 LEU 68 -17.532 -1.758 1.155 520 3HD1 LEU 68 3HD1 LEU 68 -16.564 -0.624 0.214 521 1HD2 LEU 68 1HD2 LEU 68 -15.501 -3.059 1.688 522 2HD2 LEU 68 2HD2 LEU 68 -14.144 -2.291 2.513 523 3HD2 LEU 68 3HD2 LEU 68 -14.460 -1.933 0.815 524 H GLY 69 H GLY 69 -13.391 2.186 4.771 525 1HA GLY 69 2HA GLY 69 -12.292 4.108 3.080 526 2HA GLY 69 1HA GLY 69 -12.010 4.029 4.813 527 H LEU 70 H LEU 70 -10.600 1.756 5.140 528 HA LEU 70 HA LEU 70 -8.001 2.364 4.255 529 1HB LEU 70 2HB LEU 70 -9.212 -0.137 5.427 530 2HB LEU 70 1HB LEU 70 -7.508 -0.010 5.039 531 HG LEU 70 HG LEU 70 -8.892 1.869 6.951 532 1HD1 LEU 70 1HD1 LEU 70 -7.943 0.523 8.746 533 2HD1 LEU 70 2HD1 LEU 70 -7.317 -0.629 7.568 534 3HD1 LEU 70 3HD1 LEU 70 -9.058 -0.436 7.774 535 1HD2 LEU 70 1HD2 LEU 70 -6.810 2.688 5.976 536 2HD2 LEU 70 2HD2 LEU 70 -5.988 1.207 6.470 537 3HD2 LEU 70 3HD2 LEU 70 -6.605 2.323 7.690 538 H ALA 71 H ALA 71 -10.357 -0.047 3.191 539 HA ALA 71 HA ALA 71 -8.750 -1.351 1.312 540 1HB ALA 71 1HB ALA 71 -11.745 -1.036 1.322 541 2HB ALA 71 2HB ALA 71 -10.828 -2.288 2.161 542 3HB ALA 71 3HB ALA 71 -10.836 -2.230 0.398 543 H ALA 72 H ALA 72 -10.541 1.636 1.086 544 HA ALA 72 HA ALA 72 -10.744 1.841 -1.705 545 1HB ALA 72 1HB ALA 72 -10.477 4.072 0.307 546 2HB ALA 72 2HB ALA 72 -11.981 3.275 -0.151 547 3HB ALA 72 3HB ALA 72 -11.088 4.220 -1.342 548 H MET 73 H MET 73 -8.243 3.146 0.487 549 HA MET 73 HA MET 73 -6.660 4.069 -1.709 550 1HB MET 73 2HB MET 73 -4.927 4.560 -0.001 551 2HB MET 73 1HB MET 73 -6.489 5.277 0.353 552 1HG MET 73 2HG MET 73 -5.795 4.511 2.405 553 2HG MET 73 1HG MET 73 -6.848 3.215 1.846 554 1HE MET 73 1HE MET 73 -4.055 1.371 3.898 555 2HE MET 73 2HE MET 73 -5.787 1.656 3.727 556 3HE MET 73 3HE MET 73 -4.721 2.971 4.221 557 H VAL 74 H VAL 74 -6.831 1.131 0.152 558 HA VAL 74 HA VAL 74 -4.416 -0.040 -0.736 559 HB VAL 74 HB VAL 74 -7.008 -1.327 0.145 560 1HG1 VAL 74 1HG1 VAL 74 -4.316 -2.624 -0.268 561 2HG1 VAL 74 2HG1 VAL 74 -5.733 -2.862 -1.289 562 3HG1 VAL 74 3HG1 VAL 74 -5.755 -3.402 0.391 563 1HG2 VAL 74 1HG2 VAL 74 -5.817 -1.727 2.231 564 2HG2 VAL 74 2HG2 VAL 74 -5.848 -0.004 1.852 565 3HG2 VAL 74 3HG2 VAL 74 -4.383 -0.942 1.572 566 H ASP 75 H ASP 75 -7.655 0.121 -2.110 567 HA ASP 75 HA ASP 75 -7.412 -1.646 -4.233 568 1HB ASP 75 2HB ASP 75 -9.530 -0.608 -3.709 569 2HB ASP 75 1HB ASP 75 -8.887 0.992 -4.067 570 H LYS 76 H LYS 76 -6.418 1.732 -4.001 571 HA LYS 76 HA LYS 76 -5.510 2.103 -6.619 572 1HB LYS 76 2HB LYS 76 -4.556 3.302 -4.014 573 2HB LYS 76 1HB LYS 76 -4.023 3.857 -5.592 574 1HG LYS 76 2HG LYS 76 -6.945 3.754 -5.062 575 2HG LYS 76 1HG LYS 76 -5.996 5.022 -4.289 576 1HD LYS 76 2HD LYS 76 -6.874 5.858 -6.368 577 2HD LYS 76 1HD LYS 76 -5.127 5.676 -6.516 578 1HE LYS 76 2HE LYS 76 -5.486 3.515 -7.661 579 2HE LYS 76 1HE LYS 76 -7.227 3.788 -7.576 580 1HZ LYS 76 1HZ LYS 76 -6.940 5.788 -8.918 581 2HZ LYS 76 2HZ LYS 76 -6.334 4.426 -9.730 582 3HZ LYS 76 3HZ LYS 76 -5.267 5.518 -8.997 583 H ILE 77 H ILE 77 -3.908 0.757 -3.785 584 HA ILE 77 HA ILE 77 -1.351 0.434 -4.987 585 HB ILE 77 HB ILE 77 -2.544 -1.046 -2.638 586 1HG1 ILE 77 2HG1 ILE 77 -0.796 1.424 -2.691 587 2HG1 ILE 77 1HG1 ILE 77 -2.520 1.414 -2.342 588 1HG2 ILE 77 1HG2 ILE 77 -0.191 -1.434 -2.005 589 2HG2 ILE 77 2HG2 ILE 77 0.317 -0.717 -3.534 590 3HG2 ILE 77 3HG2 ILE 77 -0.625 -2.209 -3.528 591 1HD1 ILE 77 1HD1 ILE 77 -0.389 0.057 -0.703 592 2HD1 ILE 77 2HD1 ILE 77 -2.117 0.070 -0.350 593 3HD1 ILE 77 3HD1 ILE 77 -1.196 1.574 -0.310 594 H VAL 78 H VAL 78 -4.087 -1.762 -4.418 595 HA VAL 78 HA VAL 78 -2.919 -4.078 -5.494 596 HB VAL 78 HB VAL 78 -5.847 -3.322 -5.425 597 1HG1 VAL 78 1HG1 VAL 78 -4.574 -6.041 -5.727 598 2HG1 VAL 78 2HG1 VAL 78 -5.393 -5.145 -7.008 599 3HG1 VAL 78 3HG1 VAL 78 -6.300 -5.704 -5.602 600 1HG2 VAL 78 1HG2 VAL 78 -4.838 -3.309 -3.214 601 2HG2 VAL 78 2HG2 VAL 78 -4.168 -4.917 -3.494 602 3HG2 VAL 78 3HG2 VAL 78 -5.915 -4.693 -3.393 603 H ALA 79 H ALA 79 -4.898 -1.551 -7.028 604 HA ALA 79 HA ALA 79 -5.055 -2.700 -9.581 605 1HB ALA 79 1HB ALA 79 -4.980 0.223 -8.846 606 2HB ALA 79 2HB ALA 79 -6.418 -0.797 -8.882 607 3HB ALA 79 3HB ALA 79 -5.548 -0.445 -10.376 608 H HIS 80 H HIS 80 -2.539 -0.775 -8.053 609 HA HIS 80 HA HIS 80 -0.978 -0.398 -10.411 610 1HB HIS 80 2HB HIS 80 -0.874 0.967 -8.252 611 2HB HIS 80 1HB HIS 80 0.057 -0.364 -7.574 612 HD1 HIS 80 1HD HIS 80 2.386 0.488 -7.452 613 HD2 HIS 80 2HD HIS 80 0.590 1.408 -11.085 614 HE1 HIS 80 1HE HIS 80 4.168 1.617 -8.821 615 HE2 HIS 80 2HE HIS 80 2.986 2.368 -10.915 616 H ASN 81 H ASN 81 -1.086 -2.793 -7.839 617 HA ASN 81 HA ASN 81 1.227 -4.254 -8.604 618 1HB ASN 81 2HB ASN 81 0.341 -4.551 -6.382 619 2HB ASN 81 1HB ASN 81 -1.226 -5.042 -7.015 620 1HD2 ASN 81 1HD2 ASN 81 2.043 -6.004 -6.388 621 2HD2 ASN 81 2HD2 ASN 81 1.816 -7.695 -6.662 622 H LEU 82 H LEU 82 -2.188 -4.484 -9.477 623 HA LEU 82 HA LEU 82 -2.188 -6.899 -10.817 624 1HB LEU 82 2HB LEU 82 -3.750 -4.377 -11.330 625 2HB LEU 82 1HB LEU 82 -4.093 -5.907 -12.097 626 HG LEU 82 HG LEU 82 -4.227 -5.379 -9.132 627 1HD1 LEU 82 1HD1 LEU 82 -6.415 -5.782 -11.166 628 2HD1 LEU 82 2HD1 LEU 82 -6.013 -4.266 -10.358 629 3HD1 LEU 82 3HD1 LEU 82 -6.640 -5.625 -9.424 630 1HD2 LEU 82 1HD2 LEU 82 -3.585 -7.685 -9.662 631 2HD2 LEU 82 2HD2 LEU 82 -4.996 -7.832 -10.711 632 3HD2 LEU 82 3HD2 LEU 82 -5.207 -7.598 -8.977 633 H SER 83 H SER 83 -1.071 -3.753 -11.894 634 HA SER 83 HA SER 83 -0.912 -4.362 -14.642 635 1HB SER 83 2HB SER 83 0.715 -2.359 -13.053 636 2HB SER 83 1HB SER 83 0.512 -2.371 -14.805 637 HG SER 83 HG SER 83 -0.940 -0.912 -13.893 638 H LYS 84 H LYS 84 1.582 -4.528 -12.070 639 HA LYS 84 HA LYS 84 3.567 -5.515 -13.864 640 1HB LYS 84 2HB LYS 84 4.902 -6.030 -11.895 641 2HB LYS 84 1HB LYS 84 4.195 -4.428 -11.746 642 1HG LYS 84 2HG LYS 84 2.790 -5.053 -10.047 643 2HG LYS 84 1HG LYS 84 2.785 -6.753 -10.526 644 1HD LYS 84 2HD LYS 84 5.134 -5.289 -9.319 645 2HD LYS 84 1HD LYS 84 4.037 -6.355 -8.435 646 1HE LYS 84 2HE LYS 84 5.792 -7.143 -10.760 647 2HE LYS 84 1HE LYS 84 6.097 -7.516 -9.064 648 1HZ LYS 84 1HZ LYS 84 4.116 -8.857 -8.992 649 2HZ LYS 84 2HZ LYS 84 5.085 -9.380 -10.286 650 3HZ LYS 84 3HZ LYS 84 3.718 -8.433 -10.584 651 H VAL 85 H VAL 85 1.000 -6.947 -12.043 652 HA VAL 85 HA VAL 85 1.939 -9.647 -12.200 653 HB VAL 85 HB VAL 85 -0.790 -8.480 -11.643 654 1HG1 VAL 85 1HG1 VAL 85 -1.095 -10.663 -12.693 655 2HG1 VAL 85 2HG1 VAL 85 -1.506 -10.724 -10.979 656 3HG1 VAL 85 3HG1 VAL 85 0.031 -11.385 -11.543 657 1HG2 VAL 85 1HG2 VAL 85 1.272 -9.825 -9.902 658 2HG2 VAL 85 2HG2 VAL 85 -0.334 -9.329 -9.369 659 3HG2 VAL 85 3HG2 VAL 85 0.834 -8.117 -9.895 660 H ARG 86 H ARG 86 -0.373 -7.713 -14.064 661 HA ARG 86 HA ARG 86 -1.079 -9.795 -15.866 662 1HB ARG 86 2HB ARG 86 -2.284 -8.125 -17.067 663 2HB ARG 86 1HB ARG 86 -2.427 -7.734 -15.364 664 1HG ARG 86 2HG ARG 86 -0.660 -6.048 -15.622 665 2HG ARG 86 1HG ARG 86 -0.612 -6.405 -17.350 666 1HD ARG 86 2HD ARG 86 -2.939 -5.733 -17.573 667 2HD ARG 86 1HD ARG 86 -3.034 -5.430 -15.838 668 HE ARG 86 HE ARG 86 -0.957 -3.925 -17.110 669 1HH1 ARG 86 1HH1 ARG 86 -4.394 -4.002 -16.398 670 2HH1 ARG 86 2HH1 ARG 86 -4.582 -2.280 -16.572 671 1HH2 ARG 86 1HH2 ARG 86 -1.219 -1.663 -17.312 672 2HH2 ARG 86 2HH2 ARG 86 -2.799 -0.962 -17.079 673 H LEU 87 H LEU 87 1.583 -7.679 -15.639 674 HA LEU 87 HA LEU 87 2.405 -7.752 -18.365 675 1HB LEU 87 2HB LEU 87 3.081 -5.983 -16.817 676 2HB LEU 87 1HB LEU 87 3.931 -7.152 -15.828 677 HG LEU 87 HG LEU 87 5.462 -7.590 -17.705 678 1HD1 LEU 87 1HD1 LEU 87 4.042 -5.287 -19.033 679 2HD1 LEU 87 2HD1 LEU 87 3.979 -6.974 -19.542 680 3HD1 LEU 87 3HD1 LEU 87 5.500 -6.086 -19.623 681 1HD2 LEU 87 1HD2 LEU 87 6.076 -5.993 -15.978 682 2HD2 LEU 87 2HD2 LEU 87 5.264 -4.700 -16.863 683 3HD2 LEU 87 3HD2 LEU 87 6.695 -5.476 -17.547 684 H GLU 88 H GLU 88 2.685 -9.856 -15.656 685 HA GLU 88 HA GLU 88 3.575 -11.926 -15.345 686 1HB GLU 88 2HB GLU 88 3.669 -11.953 -18.368 687 2HB GLU 88 1HB GLU 88 3.839 -13.363 -17.332 688 1HG GLU 88 2HG GLU 88 1.554 -13.026 -16.516 689 2HG GLU 88 1HG GLU 88 1.393 -11.624 -17.577 690 H HIS 89 H HIS 89 5.386 -9.644 -15.424 691 HA HIS 89 HA HIS 89 7.700 -10.498 -16.928 692 1HB HIS 89 2HB HIS 89 6.961 -8.081 -16.633 693 2HB HIS 89 1HB HIS 89 7.581 -8.193 -14.990 694 HD1 HIS 89 1HD HIS 89 9.697 -6.898 -14.983 695 HD2 HIS 89 2HD HIS 89 9.347 -9.298 -18.364 696 HE1 HIS 89 1HE HIS 89 11.859 -6.624 -16.243 697 HE2 HIS 89 2HE HIS 89 11.576 -7.985 -18.349 698 H HIS 90 H HIS 90 7.462 -12.536 -15.486 699 HA HIS 90 HA HIS 90 8.680 -13.985 -14.261 700 1HB HIS 90 2HB HIS 90 10.498 -11.610 -13.988 701 2HB HIS 90 1HB HIS 90 10.833 -13.121 -13.147 702 HD1 HIS 90 1HD HIS 90 11.766 -15.045 -14.520 703 HD2 HIS 90 2HD HIS 90 10.670 -11.760 -16.820 704 HE1 HIS 90 1HE HIS 90 12.662 -15.500 -16.824 705 HE2 HIS 90 2HE HIS 90 11.731 -13.640 -18.245 706 H HIS 91 H HIS 91 8.390 -10.884 -12.519 707 HA HIS 91 HA HIS 91 8.279 -12.226 -9.976 708 1HB HIS 91 2HB HIS 91 8.825 -9.633 -10.771 709 2HB HIS 91 1HB HIS 91 7.239 -9.496 -10.017 710 HD1 HIS 91 1HD HIS 91 7.152 -9.542 -7.487 711 HD2 HIS 91 2HD HIS 91 10.847 -10.701 -9.020 712 HE1 HIS 91 1HE HIS 91 8.698 -9.695 -5.509 713 HE2 HIS 91 2HE HIS 91 10.973 -10.136 -6.499 714 H HIS 92 H HIS 92 6.595 -13.169 -9.143 715 HA HIS 92 HA HIS 92 4.473 -13.840 -8.686 716 1HB HIS 92 2HB HIS 92 3.838 -11.406 -8.622 717 2HB HIS 92 1HB HIS 92 3.434 -11.522 -10.332 718 HD1 HIS 92 1HD HIS 92 1.314 -12.949 -10.960 719 HD2 HIS 92 2HD HIS 92 1.971 -12.460 -6.877 720 HE1 HIS 92 1HE HIS 92 -0.831 -13.637 -9.833 721 HE2 HIS 92 2HE HIS 92 -0.462 -13.186 -7.376 722 H HIS 93 H HIS 93 3.646 -15.591 -9.577 723 HA HIS 93 HA HIS 93 3.462 -15.736 -12.513 724 1HB HIS 93 2HB HIS 93 5.549 -16.826 -11.669 725 2HB HIS 93 1HB HIS 93 4.548 -17.916 -10.719 726 HD1 HIS 93 1HD HIS 93 3.404 -19.855 -11.944 727 HD2 HIS 93 2HD HIS 93 5.555 -17.323 -14.456 728 HE1 HIS 93 1HE HIS 93 3.581 -21.064 -14.144 729 HE2 HIS 93 2HE HIS 93 4.802 -19.480 -15.680 730 H HIS 94 H HIS 94 1.676 -16.704 -13.286 731 HA HIS 94 HA HIS 94 -0.150 -17.987 -11.375 732 1HB HIS 94 2HB HIS 94 -1.130 -16.164 -12.703 733 2HB HIS 94 1HB HIS 94 -0.648 -16.972 -14.190 734 HD1 HIS 94 1HD HIS 94 -3.211 -17.073 -11.462 735 HD2 HIS 94 2HD HIS 94 -2.276 -19.143 -14.954 736 HE1 HIS 94 1HE HIS 94 -5.211 -18.518 -11.958 737 HE2 HIS 94 2HE HIS 94 -4.589 -19.832 -14.016 Start of MODEL 6 1 1H MET 1 1HT MET 1 -0.381 16.929 8.897 2 2H MET 1 2HT MET 1 -1.067 16.354 7.449 3 3H MET 1 3HT MET 1 -1.088 18.011 7.803 4 HA MET 1 HA MET 1 0.598 17.376 6.144 5 1HB MET 1 2HB MET 1 1.534 18.556 8.766 6 2HB MET 1 1HB MET 1 2.486 18.583 7.290 7 1HG MET 1 2HG MET 1 1.435 20.698 7.557 8 2HG MET 1 1HG MET 1 0.671 19.868 6.203 9 1HE MET 1 1HE MET 1 -1.268 21.761 6.399 10 2HE MET 1 2HE MET 1 -0.458 22.447 7.808 11 3HE MET 1 3HE MET 1 -2.174 22.049 7.884 12 H TYR 2 H TYR 2 2.598 16.383 5.728 13 HA TYR 2 HA TYR 2 3.551 14.467 7.742 14 1HB TYR 2 2HB TYR 2 3.120 13.876 4.810 15 2HB TYR 2 1HB TYR 2 3.964 12.813 5.925 16 HD1 TYR 2 1HD TYR 2 2.744 11.563 7.622 17 HD2 TYR 2 2HD TYR 2 0.702 14.099 4.885 18 HE1 TYR 2 1HE TYR 2 0.615 10.502 8.238 19 HE2 TYR 2 2HE TYR 2 -1.435 13.045 5.493 20 HH TYR 2 HH TYR 2 -2.275 11.003 6.462 21 H THR 3 H THR 3 5.389 15.456 8.252 22 HA THR 3 HA THR 3 6.975 16.814 6.254 23 HB THR 3 HB THR 3 8.441 17.342 8.248 24 HG1 THR 3 1HG THR 3 7.507 16.884 10.298 25 1HG2 THR 3 1HG2 THR 3 5.521 18.108 8.420 26 2HG2 THR 3 2HG2 THR 3 6.747 18.914 7.440 27 3HG2 THR 3 3HG2 THR 3 6.853 18.959 9.200 28 H ALA 4 H ALA 4 9.496 16.507 6.800 29 HA ALA 4 HA ALA 4 10.264 14.109 5.618 30 1HB ALA 4 1HB ALA 4 11.948 15.898 7.369 31 2HB ALA 4 2HB ALA 4 11.633 16.148 5.651 32 3HB ALA 4 3HB ALA 4 12.539 14.732 6.186 33 H GLU 5 H GLU 5 10.135 14.975 9.055 34 HA GLU 5 HA GLU 5 11.345 12.661 10.074 35 1HB GLU 5 2HB GLU 5 9.185 14.383 11.299 36 2HB GLU 5 1HB GLU 5 10.141 13.195 12.167 37 1HG GLU 5 2HG GLU 5 12.171 14.465 11.614 38 2HG GLU 5 1HG GLU 5 11.164 15.686 10.840 39 H GLN 6 H GLN 6 7.949 13.365 9.338 40 HA GLN 6 HA GLN 6 6.993 10.832 10.201 41 1HB GLN 6 2HB GLN 6 5.821 13.105 8.667 42 2HB GLN 6 1HB GLN 6 5.007 11.549 8.609 43 1HG GLN 6 2HG GLN 6 4.023 12.883 10.337 44 2HG GLN 6 1HG GLN 6 4.897 11.543 11.071 45 1HE2 GLN 6 1HE2 GLN 6 6.750 11.966 12.277 46 2HE2 GLN 6 2HE2 GLN 6 7.170 13.563 12.802 47 H LYS 7 H LYS 7 8.210 12.056 7.145 48 HA LYS 7 HA LYS 7 7.390 10.004 5.439 49 1HB LYS 7 2HB LYS 7 9.989 11.553 5.415 50 2HB LYS 7 1HB LYS 7 9.420 10.540 4.097 51 1HG LYS 7 2HG LYS 7 7.987 12.960 5.161 52 2HG LYS 7 1HG LYS 7 9.004 12.928 3.722 53 1HD LYS 7 2HD LYS 7 7.505 11.365 2.644 54 2HD LYS 7 1HD LYS 7 6.521 11.249 4.105 55 1HE LYS 7 2HE LYS 7 5.485 12.726 2.458 56 2HE LYS 7 1HE LYS 7 5.952 13.621 3.903 57 1HZ LYS 7 1HZ LYS 7 7.314 13.597 1.270 58 2HZ LYS 7 2HZ LYS 7 8.033 14.232 2.665 59 3HZ LYS 7 3HZ LYS 7 6.606 14.920 2.066 60 H ALA 8 H ALA 8 10.161 10.196 7.608 61 HA ALA 8 HA ALA 8 11.271 7.684 6.900 62 1HB ALA 8 1HB ALA 8 11.566 9.269 9.454 63 2HB ALA 8 2HB ALA 8 12.589 9.400 8.023 64 3HB ALA 8 3HB ALA 8 12.578 7.909 8.964 65 H ARG 9 H ARG 9 9.054 8.725 9.467 66 HA ARG 9 HA ARG 9 8.923 6.265 10.822 67 1HB ARG 9 2HB ARG 9 6.808 8.413 10.614 68 2HB ARG 9 1HB ARG 9 6.820 7.115 11.795 69 1HG ARG 9 2HG ARG 9 8.925 8.017 12.720 70 2HG ARG 9 1HG ARG 9 8.827 9.350 11.565 71 1HD ARG 9 2HD ARG 9 6.648 9.988 12.518 72 2HD ARG 9 1HD ARG 9 6.797 8.688 13.697 73 HE ARG 9 HE ARG 9 8.976 10.609 13.687 74 1HH1 ARG 9 1HH1 ARG 9 5.877 9.674 15.063 75 2HH1 ARG 9 2HH1 ARG 9 6.115 10.606 16.515 76 1HH2 ARG 9 1HH2 ARG 9 9.255 11.850 15.595 77 2HH2 ARG 9 2HH2 ARG 9 8.015 11.834 16.818 78 H ILE 10 H ILE 10 6.974 7.591 8.180 79 HA ILE 10 HA ILE 10 5.097 5.488 8.057 80 HB ILE 10 HB ILE 10 6.045 7.369 5.883 81 1HG1 ILE 10 2HG1 ILE 10 3.552 7.422 7.600 82 2HG1 ILE 10 1HG1 ILE 10 4.974 8.430 7.855 83 1HG2 ILE 10 1HG2 ILE 10 3.625 5.571 5.905 84 2HG2 ILE 10 2HG2 ILE 10 5.061 5.355 4.905 85 3HG2 ILE 10 3HG2 ILE 10 4.018 6.757 4.663 86 1HD1 ILE 10 1HD1 ILE 10 4.612 9.448 5.649 87 2HD1 ILE 10 2HD1 ILE 10 3.248 9.687 6.742 88 3HD1 ILE 10 3HD1 ILE 10 3.152 8.476 5.464 89 H LYS 11 H LYS 11 8.164 6.019 6.337 90 HA LYS 11 HA LYS 11 7.977 3.666 4.783 91 1HB LYS 11 2HB LYS 11 10.262 5.484 5.487 92 2HB LYS 11 1HB LYS 11 10.517 4.024 4.539 93 1HG LYS 11 2HG LYS 11 8.774 4.853 2.948 94 2HG LYS 11 1HG LYS 11 8.769 6.372 3.842 95 1HD LYS 11 2HD LYS 11 11.236 5.180 2.587 96 2HD LYS 11 1HD LYS 11 10.194 6.343 1.770 97 1HE LYS 11 2HE LYS 11 10.592 7.904 3.693 98 2HE LYS 11 1HE LYS 11 11.799 6.760 4.285 99 1HZ LYS 11 1HZ LYS 11 11.854 8.161 1.664 100 2HZ LYS 11 2HZ LYS 11 12.988 7.008 2.171 101 3HZ LYS 11 3HZ LYS 11 12.856 8.487 2.992 102 H TRP 12 H TRP 12 9.371 4.317 7.957 103 HA TRP 12 HA TRP 12 10.581 1.823 8.378 104 1HB TRP 12 2HB TRP 12 9.400 3.877 10.227 105 2HB TRP 12 1HB TRP 12 9.972 2.340 10.863 106 HD1 TRP 12 HD TRP 12 11.828 4.245 8.078 107 HE1 TRP 12 1HE TRP 12 14.132 4.955 8.978 108 HE3 TRP 12 3HE TRP 12 11.267 2.830 12.957 109 HZ2 TRP 12 2HZ TRP 12 15.524 4.927 11.427 110 HZ3 TRP 12 3HZ TRP 12 13.133 3.210 14.516 111 HH2 TRP 12 HH TRP 12 15.216 4.237 13.764 112 H ALA 13 H ALA 13 7.229 2.835 8.559 113 HA ALA 13 HA ALA 13 6.410 0.310 9.753 114 1HB ALA 13 1HB ALA 13 4.216 1.306 9.930 115 2HB ALA 13 2HB ALA 13 4.740 2.692 8.976 116 3HB ALA 13 3HB ALA 13 5.436 2.407 10.572 117 H CYS 14 H CYS 14 7.033 1.350 6.669 118 HA CYS 14 HA CYS 14 4.852 0.179 5.255 119 1HB CYS 14 2HB CYS 14 7.670 0.819 4.362 120 2HB CYS 14 1HB CYS 14 6.385 0.287 3.284 121 HG CYS 14 HG CYS 14 5.731 3.008 5.176 122 H ARG 15 H ARG 15 7.696 -1.014 6.731 123 HA ARG 15 HA ARG 15 7.557 -3.585 5.373 124 1HB ARG 15 2HB ARG 15 9.453 -2.537 7.486 125 2HB ARG 15 1HB ARG 15 9.606 -4.085 6.658 126 1HG ARG 15 2HG ARG 15 9.965 -3.023 4.564 127 2HG ARG 15 1HG ARG 15 9.562 -1.445 5.233 128 1HD ARG 15 2HD ARG 15 11.548 -1.491 6.614 129 2HD ARG 15 1HD ARG 15 11.931 -3.120 6.044 130 HE ARG 15 HE ARG 15 12.157 -2.140 3.791 131 1HH1 ARG 15 1HH1 ARG 15 12.420 -0.028 6.576 132 2HH1 ARG 15 2HH1 ARG 15 13.318 1.188 5.726 133 1HH2 ARG 15 1HH2 ARG 15 13.347 -0.547 2.680 134 2HH2 ARG 15 2HH2 ARG 15 13.845 0.901 3.517 135 H ARG 16 H ARG 16 8.373 -5.245 7.478 136 HA ARG 16 HA ARG 16 7.629 -6.453 9.269 137 1HB ARG 16 2HB ARG 16 7.170 -4.040 10.204 138 2HB ARG 16 1HB ARG 16 5.492 -4.439 9.889 139 1HG ARG 16 2HG ARG 16 5.850 -4.943 12.142 140 2HG ARG 16 1HG ARG 16 5.879 -6.504 11.314 141 1HD ARG 16 2HD ARG 16 8.242 -6.611 11.410 142 2HD ARG 16 1HD ARG 16 8.369 -4.922 11.900 143 HE ARG 16 HE ARG 16 6.887 -6.533 13.755 144 1HH1 ARG 16 1HH1 ARG 16 10.079 -5.465 12.797 145 2HH1 ARG 16 2HH1 ARG 16 10.789 -5.797 14.348 146 1HH2 ARG 16 1HH2 ARG 16 7.789 -6.914 15.797 147 2HH2 ARG 16 2HH2 ARG 16 9.481 -6.605 16.066 148 H GLY 17 H GLY 17 6.151 -8.091 9.444 149 1HA GLY 17 2HA GLY 17 4.155 -9.242 9.143 150 2HA GLY 17 1HA GLY 17 3.506 -7.839 8.312 151 H MET 18 H MET 18 4.826 -7.426 6.150 152 HA MET 18 HA MET 18 4.985 -10.009 4.745 153 1HB MET 18 2HB MET 18 2.752 -9.225 4.377 154 2HB MET 18 1HB MET 18 3.325 -7.616 3.964 155 1HG MET 18 2HG MET 18 4.082 -8.276 1.883 156 2HG MET 18 1HG MET 18 4.143 -9.969 2.331 157 1HE MET 18 1HE MET 18 1.407 -10.046 -0.453 158 2HE MET 18 2HE MET 18 2.921 -10.741 0.125 159 3HE MET 18 3HE MET 18 2.874 -9.068 -0.437 160 H LEU 19 H LEU 19 6.651 -10.216 3.412 161 HA LEU 19 HA LEU 19 8.594 -8.119 3.286 162 1HB LEU 19 2HB LEU 19 8.505 -10.852 2.016 163 2HB LEU 19 1HB LEU 19 9.889 -9.783 1.973 164 HG LEU 19 HG LEU 19 8.683 -10.983 4.464 165 1HD1 LEU 19 1HD1 LEU 19 11.254 -11.594 3.009 166 2HD1 LEU 19 2HD1 LEU 19 9.832 -12.635 3.095 167 3HD1 LEU 19 3HD1 LEU 19 10.756 -12.281 4.556 168 1HD2 LEU 19 1HD2 LEU 19 10.623 -10.039 5.605 169 2HD2 LEU 19 2HD2 LEU 19 9.652 -8.770 4.859 170 3HD2 LEU 19 3HD2 LEU 19 11.157 -9.291 4.100 171 H GLU 20 H GLU 20 6.368 -9.636 0.996 172 HA GLU 20 HA GLU 20 7.354 -8.366 -1.325 173 1HB GLU 20 2HB GLU 20 4.654 -9.524 -0.672 174 2HB GLU 20 1HB GLU 20 5.012 -8.796 -2.231 175 1HG GLU 20 2HG GLU 20 5.250 -11.183 -2.364 176 2HG GLU 20 1HG GLU 20 6.819 -10.413 -2.563 177 H LEU 21 H LEU 21 5.267 -7.297 1.222 178 HA LEU 21 HA LEU 21 4.129 -5.087 -0.137 179 1HB LEU 21 2HB LEU 21 4.452 -5.778 2.769 180 2HB LEU 21 1HB LEU 21 3.737 -4.272 2.264 181 HG LEU 21 HG LEU 21 2.680 -7.045 1.791 182 1HD1 LEU 21 1HD1 LEU 21 2.238 -6.097 3.989 183 2HD1 LEU 21 2HD1 LEU 21 0.754 -6.214 3.043 184 3HD1 LEU 21 3HD1 LEU 21 1.554 -4.654 3.240 185 1HD2 LEU 21 1HD2 LEU 21 0.830 -6.037 0.568 186 2HD2 LEU 21 2HD2 LEU 21 2.365 -5.727 -0.249 187 3HD2 LEU 21 3HD2 LEU 21 1.597 -4.452 0.696 188 H ASP 22 H ASP 22 7.014 -5.508 1.840 189 HA ASP 22 HA ASP 22 7.848 -2.913 2.221 190 1HB ASP 22 2HB ASP 22 9.158 -4.489 3.293 191 2HB ASP 22 1HB ASP 22 9.277 -5.518 1.873 192 H VAL 23 H VAL 23 8.348 -4.923 -0.651 193 HA VAL 23 HA VAL 23 9.985 -2.894 -1.889 194 HB VAL 23 HB VAL 23 10.128 -4.440 -3.804 195 1HG1 VAL 23 1HG1 VAL 23 11.758 -4.585 -2.023 196 2HG1 VAL 23 2HG1 VAL 23 11.397 -6.198 -2.639 197 3HG1 VAL 23 3HG1 VAL 23 10.702 -5.661 -1.110 198 1HG2 VAL 23 1HG2 VAL 23 9.197 -6.686 -3.639 199 2HG2 VAL 23 2HG2 VAL 23 7.923 -5.467 -3.626 200 3HG2 VAL 23 3HG2 VAL 23 8.405 -6.252 -2.123 201 H VAL 24 H VAL 24 6.651 -3.395 -1.736 202 HA VAL 24 HA VAL 24 6.288 -2.073 -4.338 203 HB VAL 24 HB VAL 24 3.986 -2.875 -4.380 204 1HG1 VAL 24 1HG1 VAL 24 5.712 -4.210 -5.438 205 2HG1 VAL 24 2HG1 VAL 24 4.460 -5.246 -4.755 206 3HG1 VAL 24 3HG1 VAL 24 6.003 -5.065 -3.923 207 1HG2 VAL 24 1HG2 VAL 24 4.676 -4.331 -1.830 208 2HG2 VAL 24 2HG2 VAL 24 3.202 -4.551 -2.773 209 3HG2 VAL 24 3HG2 VAL 24 3.528 -3.001 -1.996 210 H ILE 25 H ILE 25 5.498 -1.826 -0.917 211 HA ILE 25 HA ILE 25 3.496 0.141 -1.173 212 HB ILE 25 HB ILE 25 5.313 -0.487 1.148 213 1HG1 ILE 25 2HG1 ILE 25 2.403 -1.113 0.607 214 2HG1 ILE 25 1HG1 ILE 25 3.735 -2.258 0.495 215 1HG2 ILE 25 1HG2 ILE 25 4.591 1.824 1.350 216 2HG2 ILE 25 2HG2 ILE 25 3.763 0.818 2.540 217 3HG2 ILE 25 3HG2 ILE 25 2.915 1.341 1.085 218 1HD1 ILE 25 1HD1 ILE 25 2.831 -0.860 3.003 219 2HD1 ILE 25 2HD1 ILE 25 4.141 -2.036 2.883 220 3HD1 ILE 25 3HD1 ILE 25 2.479 -2.530 2.561 221 H MET 26 H MET 26 7.014 0.444 -0.787 222 HA MET 26 HA MET 26 7.029 3.222 -0.362 223 1HB MET 26 2HB MET 26 9.158 1.397 -1.465 224 2HB MET 26 1HB MET 26 9.429 3.101 -1.137 225 1HG MET 26 2HG MET 26 8.848 2.713 1.223 226 2HG MET 26 1HG MET 26 8.658 0.997 0.871 227 1HE MET 26 1HE MET 26 10.980 0.503 -1.222 228 2HE MET 26 2HE MET 26 10.659 -0.596 0.119 229 3HE MET 26 3HE MET 26 12.298 -0.012 -0.172 230 HA PRO 27 HA PRO 27 7.771 3.713 -5.196 231 1HB PRO 27 2HB PRO 27 6.441 1.221 -6.119 232 2HB PRO 27 1HB PRO 27 7.857 2.052 -6.772 233 1HG PRO 27 2HG PRO 27 8.135 -0.199 -5.383 234 2HG PRO 27 1HG PRO 27 9.288 1.136 -5.194 235 1HD PRO 27 2HD PRO 27 7.043 0.299 -3.403 236 2HD PRO 27 1HD PRO 27 8.672 0.865 -2.981 237 H PHE 28 H PHE 28 4.957 1.815 -4.138 238 HA PHE 28 HA PHE 28 3.066 3.147 -5.755 239 1HB PHE 28 2HB PHE 28 2.841 1.475 -3.268 240 2HB PHE 28 1HB PHE 28 1.425 2.264 -3.948 241 HD1 PHE 28 1HD PHE 28 4.148 0.889 -6.018 242 HD2 PHE 28 2HD PHE 28 0.243 0.267 -4.443 243 HE1 PHE 28 1HE PHE 28 3.839 -1.012 -7.546 244 HE2 PHE 28 2HE PHE 28 -0.071 -1.639 -5.968 245 HZ PHE 28 HZ PHE 28 1.731 -2.282 -7.522 246 H PHE 29 H PHE 29 4.277 3.752 -2.503 247 HA PHE 29 HA PHE 29 2.485 5.786 -1.770 248 1HB PHE 29 2HB PHE 29 4.036 4.671 -0.194 249 2HB PHE 29 1HB PHE 29 5.391 5.479 -0.973 250 HD1 PHE 29 1HD PHE 29 2.331 6.034 1.022 251 HD2 PHE 29 2HD PHE 29 5.993 7.681 -0.395 252 HE1 PHE 29 1HE PHE 29 2.064 7.939 2.555 253 HE2 PHE 29 2HE PHE 29 5.733 9.589 1.136 254 HZ PHE 29 HZ PHE 29 3.765 9.720 2.615 255 H GLU 30 H GLU 30 5.582 5.911 -3.476 256 HA GLU 30 HA GLU 30 5.876 8.673 -3.680 257 1HB GLU 30 2HB GLU 30 6.616 6.666 -5.815 258 2HB GLU 30 1HB GLU 30 7.355 8.238 -5.535 259 1HG GLU 30 2HG GLU 30 8.040 7.398 -3.288 260 2HG GLU 30 1HG GLU 30 7.500 5.804 -3.790 261 H GLU 31 H GLU 31 4.102 6.421 -5.685 262 HA GLU 31 HA GLU 31 3.290 8.371 -7.614 263 1HB GLU 31 2HB GLU 31 2.212 5.610 -7.033 264 2HB GLU 31 1HB GLU 31 1.744 6.595 -8.410 265 1HG GLU 31 2HG GLU 31 4.072 6.566 -9.197 266 2HG GLU 31 1HG GLU 31 4.499 5.526 -7.838 267 H CYS 32 H CYS 32 1.611 6.755 -4.912 268 HA CYS 32 HA CYS 32 -0.884 8.014 -5.556 269 1HB CYS 32 2HB CYS 32 -0.126 6.433 -3.095 270 2HB CYS 32 1HB CYS 32 -1.759 6.820 -3.623 271 HG CYS 32 HG CYS 32 0.426 4.571 -4.941 272 H PHE 33 H PHE 33 1.776 8.829 -3.489 273 HA PHE 33 HA PHE 33 0.546 10.274 -1.469 274 1HB PHE 33 2HB PHE 33 2.901 9.818 -1.373 275 2HB PHE 33 1HB PHE 33 3.199 10.731 -2.844 276 HD1 PHE 33 1HD PHE 33 2.152 11.050 0.690 277 HD2 PHE 33 2HD PHE 33 3.655 13.024 -2.766 278 HE1 PHE 33 1HE PHE 33 2.627 13.050 2.044 279 HE2 PHE 33 2HE PHE 33 4.123 15.030 -1.424 280 HZ PHE 33 HZ PHE 33 3.614 15.045 0.986 281 H ASP 34 H ASP 34 1.315 11.278 -4.748 282 HA ASP 34 HA ASP 34 0.708 14.030 -4.372 283 1HB ASP 34 2HB ASP 34 2.156 13.273 -6.187 284 2HB ASP 34 1HB ASP 34 0.823 12.372 -6.902 285 H SER 35 H SER 35 -1.251 11.252 -4.835 286 HA SER 35 HA SER 35 -3.493 12.828 -5.861 287 1HB SER 35 2HB SER 35 -3.345 9.833 -5.516 288 2HB SER 35 1HB SER 35 -4.481 10.750 -6.508 289 HG SER 35 HG SER 35 -2.422 11.511 -7.598 290 H LEU 36 H LEU 36 -2.484 10.951 -3.073 291 HA LEU 36 HA LEU 36 -5.127 10.701 -1.984 292 1HB LEU 36 2HB LEU 36 -2.437 10.215 -0.710 293 2HB LEU 36 1HB LEU 36 -3.979 9.776 -0.005 294 HG LEU 36 HG LEU 36 -2.794 8.633 -2.535 295 1HD1 LEU 36 1HD1 LEU 36 -2.648 6.563 -1.235 296 2HD1 LEU 36 2HD1 LEU 36 -3.233 7.418 0.191 297 3HD1 LEU 36 3HD1 LEU 36 -1.677 7.850 -0.519 298 1HD2 LEU 36 1HD2 LEU 36 -5.229 8.767 -2.675 299 2HD2 LEU 36 2HD2 LEU 36 -5.369 7.952 -1.117 300 3HD2 LEU 36 3HD2 LEU 36 -4.694 7.094 -2.501 301 H THR 37 H THR 37 -6.117 11.869 -0.456 302 HA THR 37 HA THR 37 -4.947 14.387 0.391 303 HB THR 37 HB THR 37 -7.151 14.661 1.586 304 HG1 THR 37 1HG THR 37 -7.839 12.273 0.159 305 1HG2 THR 37 1HG2 THR 37 -8.457 15.001 -0.465 306 2HG2 THR 37 2HG2 THR 37 -7.291 14.031 -1.366 307 3HG2 THR 37 3HG2 THR 37 -6.799 15.571 -0.660 308 H GLU 38 H GLU 38 -5.398 14.919 2.854 309 HA GLU 38 HA GLU 38 -3.623 13.391 4.383 310 1HB GLU 38 2HB GLU 38 -5.840 15.245 5.294 311 2HB GLU 38 1HB GLU 38 -4.583 14.612 6.346 312 1HG GLU 38 2HG GLU 38 -4.025 16.270 3.904 313 2HG GLU 38 1HG GLU 38 -4.224 16.941 5.522 314 H SER 39 H SER 39 -7.193 13.350 4.406 315 HA SER 39 HA SER 39 -7.539 11.512 6.460 316 1HB SER 39 2HB SER 39 -9.291 11.886 4.022 317 2HB SER 39 1HB SER 39 -9.780 11.231 5.581 318 HG SER 39 HG SER 39 -9.477 13.834 4.795 319 H GLU 40 H GLU 40 -7.242 10.963 2.963 320 HA GLU 40 HA GLU 40 -7.486 8.150 3.057 321 1HB GLU 40 2HB GLU 40 -6.049 9.900 1.049 322 2HB GLU 40 1HB GLU 40 -6.473 8.211 0.803 323 1HG GLU 40 2HG GLU 40 -8.809 8.723 0.844 324 2HG GLU 40 1HG GLU 40 -8.484 10.391 1.315 325 H GLN 41 H GLN 41 -4.722 10.326 3.127 326 HA GLN 41 HA GLN 41 -2.668 8.431 3.185 327 1HB GLN 41 2HB GLN 41 -2.969 11.270 4.054 328 2HB GLN 41 1HB GLN 41 -1.515 10.408 4.511 329 1HG GLN 41 2HG GLN 41 -1.073 9.924 2.148 330 2HG GLN 41 1HG GLN 41 -2.530 10.814 1.709 331 1HE2 GLN 41 1HE2 GLN 41 -2.547 13.046 1.879 332 2HE2 GLN 41 2HE2 GLN 41 -1.105 13.977 2.064 333 H ASP 42 H ASP 42 -4.584 9.841 5.786 334 HA ASP 42 HA ASP 42 -3.160 8.812 7.977 335 1HB ASP 42 2HB ASP 42 -4.773 10.546 8.318 336 2HB ASP 42 1HB ASP 42 -6.062 9.569 7.634 337 H ASP 43 H ASP 43 -5.940 7.476 6.233 338 HA ASP 43 HA ASP 43 -6.112 5.136 7.829 339 1HB ASP 43 2HB ASP 43 -7.416 6.154 5.433 340 2HB ASP 43 1HB ASP 43 -7.154 4.414 5.362 341 H PHE 44 H PHE 44 -4.290 5.968 4.967 342 HA PHE 44 HA PHE 44 -3.384 3.381 4.310 343 1HB PHE 44 2HB PHE 44 -3.172 5.347 2.814 344 2HB PHE 44 1HB PHE 44 -1.971 6.030 3.903 345 HD1 PHE 44 1HD PHE 44 -2.669 3.218 1.615 346 HD2 PHE 44 2HD PHE 44 0.290 5.376 3.784 347 HE1 PHE 44 1HE PHE 44 -0.898 2.019 0.393 348 HE2 PHE 44 2HE PHE 44 2.060 4.182 2.571 349 HZ PHE 44 HZ PHE 44 1.469 2.501 0.872 350 H VAL 45 H VAL 45 -2.002 5.915 6.385 351 HA VAL 45 HA VAL 45 0.278 4.444 7.187 352 HB VAL 45 HB VAL 45 -1.169 6.640 8.687 353 1HG1 VAL 45 1HG1 VAL 45 0.301 5.376 10.157 354 2HG1 VAL 45 2HG1 VAL 45 0.958 6.984 9.849 355 3HG1 VAL 45 3HG1 VAL 45 1.635 5.582 9.022 356 1HG2 VAL 45 1HG2 VAL 45 -0.452 7.358 6.473 357 2HG2 VAL 45 2HG2 VAL 45 1.181 6.777 6.799 358 3HG2 VAL 45 3HG2 VAL 45 0.525 8.128 7.723 359 H ALA 46 H ALA 46 -2.968 4.784 8.559 360 HA ALA 46 HA ALA 46 -2.615 3.230 10.858 361 1HB ALA 46 1HB ALA 46 -5.100 3.448 9.169 362 2HB ALA 46 2HB ALA 46 -4.598 4.608 10.400 363 3HB ALA 46 3HB ALA 46 -5.020 2.957 10.860 364 H LEU 47 H LEU 47 -3.195 2.264 7.524 365 HA LEU 47 HA LEU 47 -3.708 -0.470 8.005 366 1HB LEU 47 2HB LEU 47 -2.636 1.000 5.610 367 2HB LEU 47 1HB LEU 47 -2.896 -0.732 5.602 368 HG LEU 47 HG LEU 47 -5.045 1.332 6.084 369 1HD1 LEU 47 1HD1 LEU 47 -5.845 0.721 3.857 370 2HD1 LEU 47 2HD1 LEU 47 -4.447 -0.332 3.644 371 3HD1 LEU 47 3HD1 LEU 47 -4.222 1.411 3.791 372 1HD2 LEU 47 1HD2 LEU 47 -5.501 -0.784 7.201 373 2HD2 LEU 47 2HD2 LEU 47 -5.199 -1.655 5.698 374 3HD2 LEU 47 3HD2 LEU 47 -6.577 -0.563 5.821 375 H LEU 48 H LEU 48 -0.732 1.348 7.551 376 HA LEU 48 HA LEU 48 1.012 -0.865 7.311 377 1HB LEU 48 2HB LEU 48 1.596 1.920 8.315 378 2HB LEU 48 1HB LEU 48 2.796 0.747 7.806 379 HG LEU 48 HG LEU 48 0.706 2.006 6.025 380 1HD1 LEU 48 1HD1 LEU 48 2.412 3.597 6.673 381 2HD1 LEU 48 2HD1 LEU 48 2.622 3.130 4.984 382 3HD1 LEU 48 3HD1 LEU 48 3.679 2.453 6.224 383 1HD2 LEU 48 1HD2 LEU 48 1.897 0.918 4.201 384 2HD2 LEU 48 2HD2 LEU 48 1.269 -0.272 5.343 385 3HD2 LEU 48 3HD2 LEU 48 2.983 0.147 5.356 386 H GLU 49 H GLU 49 -0.400 0.759 10.029 387 HA GLU 49 HA GLU 49 1.315 -0.392 12.010 388 1HB GLU 49 2HB GLU 49 -1.334 1.037 12.138 389 2HB GLU 49 1HB GLU 49 -0.533 0.399 13.569 390 1HG GLU 49 2HG GLU 49 0.862 2.283 11.695 391 2HG GLU 49 1HG GLU 49 -0.172 2.860 13.004 392 H SER 50 H SER 50 -1.199 -1.584 10.120 393 HA SER 50 HA SER 50 -1.929 -3.657 12.071 394 1HB SER 50 2HB SER 50 -3.219 -3.071 9.396 395 2HB SER 50 1HB SER 50 -3.868 -4.059 10.705 396 HG SER 50 HG SER 50 -3.332 -1.271 10.898 397 H ASP 51 H ASP 51 -2.288 -5.885 11.010 398 HA ASP 51 HA ASP 51 0.098 -6.641 9.590 399 1HB ASP 51 2HB ASP 51 -2.166 -8.074 10.869 400 2HB ASP 51 1HB ASP 51 -1.337 -8.912 9.562 401 H ASP 52 H ASP 52 -0.757 -8.645 7.856 402 HA ASP 52 HA ASP 52 -2.064 -6.992 5.786 403 1HB ASP 52 2HB ASP 52 -0.679 -8.303 4.171 404 2HB ASP 52 1HB ASP 52 0.275 -7.351 5.306 405 HA PRO 53 HA PRO 53 -4.366 -11.072 5.781 406 1HB PRO 53 2HB PRO 53 -6.453 -10.449 7.576 407 2HB PRO 53 1HB PRO 53 -5.094 -11.529 7.885 408 1HG PRO 53 2HG PRO 53 -5.590 -9.077 9.157 409 2HG PRO 53 1HG PRO 53 -4.086 -10.010 9.224 410 1HD PRO 53 2HD PRO 53 -4.782 -7.646 7.539 411 2HD PRO 53 1HD PRO 53 -3.219 -8.111 8.248 412 H ASP 54 H ASP 54 -6.073 -8.039 6.516 413 HA ASP 54 HA ASP 54 -8.171 -8.415 4.662 414 1HB ASP 54 2HB ASP 54 -7.116 -5.744 5.619 415 2HB ASP 54 1HB ASP 54 -8.752 -6.130 5.095 416 H LEU 55 H LEU 55 -5.040 -6.829 4.514 417 HA LEU 55 HA LEU 55 -5.279 -5.643 1.996 418 1HB LEU 55 2HB LEU 55 -2.827 -6.723 3.383 419 2HB LEU 55 1HB LEU 55 -2.804 -5.662 1.991 420 HG LEU 55 HG LEU 55 -3.917 -4.946 4.704 421 1HD1 LEU 55 1HD1 LEU 55 -1.971 -3.491 4.890 422 2HD1 LEU 55 2HD1 LEU 55 -1.370 -4.078 3.340 423 3HD1 LEU 55 3HD1 LEU 55 -1.483 -5.176 4.715 424 1HD2 LEU 55 1HD2 LEU 55 -3.525 -3.280 2.220 425 2HD2 LEU 55 2HD2 LEU 55 -4.032 -2.671 3.795 426 3HD2 LEU 55 3HD2 LEU 55 -5.070 -3.785 2.904 427 H PHE 56 H PHE 56 -3.876 -8.797 2.922 428 HA PHE 56 HA PHE 56 -3.243 -9.684 0.352 429 1HB PHE 56 2HB PHE 56 -2.509 -10.803 2.448 430 2HB PHE 56 1HB PHE 56 -4.159 -11.345 2.720 431 HD1 PHE 56 2HD PHE 56 -1.356 -11.583 0.295 432 HD2 PHE 56 1HD PHE 56 -4.909 -13.350 1.836 433 HE1 PHE 56 2HE PHE 56 -0.930 -13.600 -1.048 434 HE2 PHE 56 1HE PHE 56 -4.491 -15.369 0.496 435 HZ PHE 56 HZ PHE 56 -2.501 -15.496 -0.952 436 H ALA 57 H ALA 57 -6.216 -10.018 2.228 437 HA ALA 57 HA ALA 57 -7.464 -11.822 0.447 438 1HB ALA 57 1HB ALA 57 -8.724 -10.083 2.556 439 2HB ALA 57 2HB ALA 57 -8.008 -11.672 2.823 440 3HB ALA 57 3HB ALA 57 -9.439 -11.512 1.806 441 H TRP 58 H TRP 58 -7.587 -8.294 0.728 442 HA TRP 58 HA TRP 58 -9.774 -8.080 -1.101 443 1HB TRP 58 2HB TRP 58 -7.987 -6.115 0.241 444 2HB TRP 58 1HB TRP 58 -8.927 -5.595 -1.156 445 HD1 TRP 58 HD TRP 58 -9.565 -7.328 2.250 446 HE1 TRP 58 1HE TRP 58 -11.861 -6.556 3.109 447 HE3 TRP 58 3HE TRP 58 -11.006 -4.450 -1.735 448 HZ2 TRP 58 2HZ TRP 58 -14.000 -4.971 2.214 449 HZ3 TRP 58 3HZ TRP 58 -13.211 -3.350 -1.646 450 HH2 TRP 58 HH TRP 58 -14.671 -3.610 0.289 451 H VAL 59 H VAL 59 -6.280 -8.043 -1.412 452 HA VAL 59 HA VAL 59 -6.185 -7.072 -4.070 453 HB VAL 59 HB VAL 59 -4.255 -8.858 -2.580 454 1HG1 VAL 59 1HG1 VAL 59 -3.877 -7.446 -5.224 455 2HG1 VAL 59 2HG1 VAL 59 -3.964 -9.190 -4.973 456 3HG1 VAL 59 3HG1 VAL 59 -2.612 -8.269 -4.312 457 1HG2 VAL 59 1HG2 VAL 59 -4.448 -6.673 -1.589 458 2HG2 VAL 59 2HG2 VAL 59 -4.256 -5.898 -3.162 459 3HG2 VAL 59 3HG2 VAL 59 -2.909 -6.783 -2.443 460 H MET 60 H MET 60 -6.483 -10.348 -2.726 461 HA MET 60 HA MET 60 -6.571 -11.559 -5.341 462 1HB MET 60 2HB MET 60 -7.020 -13.634 -4.202 463 2HB MET 60 1HB MET 60 -5.755 -12.783 -3.327 464 1HG MET 60 2HG MET 60 -7.411 -12.029 -1.687 465 2HG MET 60 1HG MET 60 -8.666 -12.901 -2.560 466 1HE MET 60 1HE MET 60 -8.686 -15.567 -2.823 467 2HE MET 60 2HE MET 60 -7.488 -16.626 -2.083 468 3HE MET 60 3HE MET 60 -7.022 -15.562 -3.411 469 H GLY 61 H GLY 61 -8.819 -10.082 -3.201 470 1HA GLY 61 2HA GLY 61 -10.937 -9.316 -3.818 471 2HA GLY 61 1HA GLY 61 -10.893 -10.381 -5.213 472 H HIS 62 H HIS 62 -10.323 -11.378 -1.880 473 HA HIS 62 HA HIS 62 -12.905 -12.796 -1.940 474 1HB HIS 62 2HB HIS 62 -11.069 -14.371 -2.442 475 2HB HIS 62 1HB HIS 62 -10.272 -13.919 -0.941 476 HD1 HIS 62 1HD HIS 62 -10.709 -15.425 0.954 477 HD2 HIS 62 2HD HIS 62 -13.764 -15.576 -1.867 478 HE1 HIS 62 1HE HIS 62 -12.319 -17.172 1.787 479 HE2 HIS 62 2HE HIS 62 -14.228 -17.156 0.134 480 H GLY 63 H GLY 63 -11.131 -10.498 -0.429 481 1HA GLY 63 2HA GLY 63 -11.833 -11.295 2.289 482 2HA GLY 63 1HA GLY 63 -10.766 -9.972 1.844 483 H ARG 64 H ARG 64 -12.768 -9.743 3.740 484 HA ARG 64 HA ARG 64 -14.556 -7.816 2.410 485 1HB ARG 64 2HB ARG 64 -15.321 -9.617 4.715 486 2HB ARG 64 1HB ARG 64 -16.346 -8.399 3.975 487 1HG ARG 64 2HG ARG 64 -15.304 -10.879 2.622 488 2HG ARG 64 1HG ARG 64 -16.938 -10.641 3.243 489 1HD ARG 64 2HD ARG 64 -17.241 -8.773 1.673 490 2HD ARG 64 1HD ARG 64 -15.622 -9.066 1.033 491 HE ARG 64 HE ARG 64 -17.327 -11.383 0.960 492 1HH1 ARG 64 1HH1 ARG 64 -16.378 -8.476 -0.767 493 2HH1 ARG 64 2HH1 ARG 64 -16.872 -9.087 -2.314 494 1HH2 ARG 64 1HH2 ARG 64 -17.961 -12.174 -1.068 495 2HH2 ARG 64 2HH2 ARG 64 -17.765 -11.192 -2.490 496 H CYS 65 H CYS 65 -14.812 -5.890 3.439 497 HA CYS 65 HA CYS 65 -13.940 -5.573 6.186 498 1HB CYS 65 2HB CYS 65 -11.879 -5.192 4.823 499 2HB CYS 65 1HB CYS 65 -12.718 -3.892 3.983 500 HG CYS 65 HG CYS 65 -10.888 -3.643 6.591 501 H GLU 66 H GLU 66 -15.395 -4.364 7.167 502 HA GLU 66 HA GLU 66 -17.570 -3.272 5.737 503 1HB GLU 66 2HB GLU 66 -16.856 -2.750 8.624 504 2HB GLU 66 1HB GLU 66 -18.439 -2.582 7.878 505 1HG GLU 66 2HG GLU 66 -16.936 -5.082 8.551 506 2HG GLU 66 1HG GLU 66 -18.555 -4.592 9.045 507 H ASN 67 H ASN 67 -14.636 -1.874 7.047 508 HA ASN 67 HA ASN 67 -15.578 0.828 6.654 509 1HB ASN 67 2HB ASN 67 -12.852 -0.239 7.418 510 2HB ASN 67 1HB ASN 67 -13.260 1.471 7.313 511 1HD2 ASN 67 1HD2 ASN 67 -12.370 -0.144 9.577 512 2HD2 ASN 67 2HD2 ASN 67 -13.582 0.034 10.800 513 H LEU 68 H LEU 68 -15.973 1.126 4.531 514 HA LEU 68 HA LEU 68 -14.242 0.184 2.474 515 1HB LEU 68 2HB LEU 68 -16.530 2.141 2.434 516 2HB LEU 68 1HB LEU 68 -15.662 1.633 0.999 517 HG LEU 68 HG LEU 68 -17.330 -0.110 2.815 518 1HD1 LEU 68 1HD1 LEU 68 -17.643 0.643 -0.086 519 2HD1 LEU 68 2HD1 LEU 68 -18.588 1.298 1.251 520 3HD1 LEU 68 3HD1 LEU 68 -18.711 -0.413 0.839 521 1HD2 LEU 68 1HD2 LEU 68 -16.800 -1.935 1.276 522 2HD2 LEU 68 2HD2 LEU 68 -15.348 -1.325 2.070 523 3HD2 LEU 68 3HD2 LEU 68 -15.695 -0.877 0.399 524 H GLY 69 H GLY 69 -14.251 2.932 4.487 525 1HA GLY 69 2HA GLY 69 -12.676 4.705 2.985 526 2HA GLY 69 1HA GLY 69 -12.643 4.557 4.741 527 H LEU 70 H LEU 70 -11.711 2.058 5.152 528 HA LEU 70 HA LEU 70 -8.948 2.168 4.650 529 1HB LEU 70 2HB LEU 70 -10.781 -0.074 5.494 530 2HB LEU 70 1HB LEU 70 -9.048 -0.298 5.323 531 HG LEU 70 HG LEU 70 -10.359 1.658 7.214 532 1HD1 LEU 70 1HD1 LEU 70 -9.038 -0.996 7.773 533 2HD1 LEU 70 2HD1 LEU 70 -10.769 -0.670 7.854 534 3HD1 LEU 70 3HD1 LEU 70 -9.669 0.128 8.977 535 1HD2 LEU 70 1HD2 LEU 70 -8.115 1.875 8.160 536 2HD2 LEU 70 2HD2 LEU 70 -8.158 2.387 6.474 537 3HD2 LEU 70 3HD2 LEU 70 -7.480 0.816 6.900 538 H ALA 71 H ALA 71 -11.582 0.465 3.064 539 HA ALA 71 HA ALA 71 -10.008 -1.093 1.317 540 1HB ALA 71 1HB ALA 71 -12.852 -0.177 0.951 541 2HB ALA 71 2HB ALA 71 -12.344 -1.599 1.862 542 3HB ALA 71 3HB ALA 71 -12.068 -1.520 0.122 543 H ALA 72 H ALA 72 -11.010 2.221 1.205 544 HA ALA 72 HA ALA 72 -10.999 2.718 -1.536 545 1HB ALA 72 1HB ALA 72 -11.794 4.332 0.117 546 2HB ALA 72 2HB ALA 72 -10.598 5.055 -0.961 547 3HB ALA 72 3HB ALA 72 -10.140 4.581 0.675 548 H MET 73 H MET 73 -8.296 3.006 0.786 549 HA MET 73 HA MET 73 -6.384 3.641 -1.216 550 1HB MET 73 2HB MET 73 -6.276 2.919 1.667 551 2HB MET 73 1HB MET 73 -4.799 2.736 0.733 552 1HG MET 73 2HG MET 73 -4.907 4.904 1.840 553 2HG MET 73 1HG MET 73 -4.873 5.064 0.085 554 1HE MET 73 1HE MET 73 -6.979 5.360 3.341 555 2HE MET 73 2HE MET 73 -7.885 4.121 2.474 556 3HE MET 73 3HE MET 73 -8.596 5.716 2.729 557 H VAL 74 H VAL 74 -7.590 0.649 0.098 558 HA VAL 74 HA VAL 74 -5.586 -1.056 -0.940 559 HB VAL 74 HB VAL 74 -8.505 -1.685 -0.440 560 1HG1 VAL 74 1HG1 VAL 74 -6.121 -3.520 -0.697 561 2HG1 VAL 74 2HG1 VAL 74 -7.421 -3.333 -1.874 562 3HG1 VAL 74 3HG1 VAL 74 -7.763 -4.012 -0.283 563 1HG2 VAL 74 1HG2 VAL 74 -6.106 -1.984 1.368 564 2HG2 VAL 74 2HG2 VAL 74 -7.738 -2.555 1.720 565 3HG2 VAL 74 3HG2 VAL 74 -7.425 -0.827 1.559 566 H ASP 75 H ASP 75 -8.655 0.145 -2.232 567 HA ASP 75 HA ASP 75 -8.696 -1.261 -4.655 568 1HB ASP 75 2HB ASP 75 -10.634 -0.024 -3.868 569 2HB ASP 75 1HB ASP 75 -9.763 1.498 -4.002 570 H LYS 76 H LYS 76 -7.128 1.773 -3.774 571 HA LYS 76 HA LYS 76 -6.198 2.550 -6.303 572 1HB LYS 76 2HB LYS 76 -4.633 2.909 -3.743 573 2HB LYS 76 1HB LYS 76 -4.616 3.935 -5.168 574 1HG LYS 76 2HG LYS 76 -7.017 3.586 -3.401 575 2HG LYS 76 1HG LYS 76 -5.825 4.864 -3.191 576 1HD LYS 76 2HD LYS 76 -7.478 4.410 -5.674 577 2HD LYS 76 1HD LYS 76 -7.827 5.605 -4.426 578 1HE LYS 76 2HE LYS 76 -5.513 6.537 -4.870 579 2HE LYS 76 1HE LYS 76 -5.481 5.506 -6.298 580 1HZ LYS 76 1HZ LYS 76 -6.250 7.567 -7.053 581 2HZ LYS 76 2HZ LYS 76 -7.273 7.785 -5.716 582 3HZ LYS 76 3HZ LYS 76 -7.664 6.637 -6.899 583 H ILE 77 H ILE 77 -4.856 0.370 -3.886 584 HA ILE 77 HA ILE 77 -2.435 -0.180 -5.283 585 HB ILE 77 HB ILE 77 -3.821 -1.797 -3.138 586 1HG1 ILE 77 2HG1 ILE 77 -1.571 0.217 -2.913 587 2HG1 ILE 77 1HG1 ILE 77 -3.245 0.518 -2.466 588 1HG2 ILE 77 1HG2 ILE 77 -2.216 -3.129 -4.404 589 2HG2 ILE 77 2HG2 ILE 77 -1.646 -2.834 -2.762 590 3HG2 ILE 77 3HG2 ILE 77 -0.966 -1.920 -4.109 591 1HD1 ILE 77 1HD1 ILE 77 -1.450 -1.533 -1.199 592 2HD1 ILE 77 2HD1 ILE 77 -3.115 -1.175 -0.735 593 3HD1 ILE 77 3HD1 ILE 77 -1.857 0.044 -0.524 594 H VAL 78 H VAL 78 -5.535 -1.881 -4.957 595 HA VAL 78 HA VAL 78 -4.913 -4.207 -6.342 596 HB VAL 78 HB VAL 78 -7.567 -2.771 -6.187 597 1HG1 VAL 78 1HG1 VAL 78 -6.976 -5.612 -7.015 598 2HG1 VAL 78 2HG1 VAL 78 -7.564 -4.323 -8.067 599 3HG1 VAL 78 3HG1 VAL 78 -8.581 -4.928 -6.759 600 1HG2 VAL 78 1HG2 VAL 78 -8.059 -4.400 -4.420 601 2HG2 VAL 78 2HG2 VAL 78 -6.657 -3.409 -4.014 602 3HG2 VAL 78 3HG2 VAL 78 -6.434 -5.064 -4.583 603 H ALA 79 H ALA 79 -6.267 -1.176 -7.629 604 HA ALA 79 HA ALA 79 -6.487 -1.975 -10.300 605 1HB ALA 79 1HB ALA 79 -6.495 0.408 -10.840 606 2HB ALA 79 2HB ALA 79 -5.895 0.781 -9.223 607 3HB ALA 79 3HB ALA 79 -7.498 0.073 -9.429 608 H HIS 80 H HIS 80 -3.759 -0.701 -8.489 609 HA HIS 80 HA HIS 80 -2.081 -0.292 -10.756 610 1HB HIS 80 2HB HIS 80 -1.903 0.793 -8.436 611 2HB HIS 80 1HB HIS 80 -1.110 -0.693 -7.933 612 HD1 HIS 80 1HD HIS 80 0.681 -1.091 -10.489 613 HD2 HIS 80 2HD HIS 80 0.231 2.482 -8.411 614 HE1 HIS 80 1HE HIS 80 2.755 0.244 -10.978 615 HE2 HIS 80 2HE HIS 80 2.537 2.329 -9.569 616 H ASN 81 H ASN 81 -2.323 -2.883 -8.306 617 HA ASN 81 HA ASN 81 -0.095 -4.298 -9.391 618 1HB ASN 81 2HB ASN 81 -0.422 -5.934 -7.759 619 2HB ASN 81 1HB ASN 81 -0.999 -4.465 -6.990 620 1HD2 ASN 81 1HD2 ASN 81 -1.882 -7.542 -8.326 621 2HD2 ASN 81 2HD2 ASN 81 -3.487 -7.577 -7.691 622 H LEU 82 H LEU 82 -3.608 -4.592 -9.829 623 HA LEU 82 HA LEU 82 -3.564 -6.992 -11.268 624 1HB LEU 82 2HB LEU 82 -5.452 -4.668 -11.175 625 2HB LEU 82 1HB LEU 82 -5.724 -6.000 -12.268 626 HG LEU 82 HG LEU 82 -5.607 -6.157 -9.260 627 1HD1 LEU 82 1HD1 LEU 82 -7.668 -5.185 -10.128 628 2HD1 LEU 82 2HD1 LEU 82 -7.959 -6.791 -9.459 629 3HD1 LEU 82 3HD1 LEU 82 -7.874 -6.566 -11.206 630 1HD2 LEU 82 1HD2 LEU 82 -4.624 -8.150 -10.281 631 2HD2 LEU 82 2HD2 LEU 82 -6.060 -8.347 -11.286 632 3HD2 LEU 82 3HD2 LEU 82 -6.179 -8.515 -9.534 633 H SER 83 H SER 83 -2.956 -3.695 -12.224 634 HA SER 83 HA SER 83 -3.117 -4.047 -15.007 635 1HB SER 83 2HB SER 83 -3.133 -1.838 -13.938 636 2HB SER 83 1HB SER 83 -1.473 -2.075 -13.400 637 HG SER 83 HG SER 83 -2.448 -1.321 -15.860 638 H LYS 84 H LYS 84 -0.342 -4.260 -12.770 639 HA LYS 84 HA LYS 84 1.514 -4.875 -14.840 640 1HB LYS 84 2HB LYS 84 3.124 -5.252 -13.137 641 2HB LYS 84 1HB LYS 84 2.114 -3.930 -12.574 642 1HG LYS 84 2HG LYS 84 0.855 -5.560 -11.186 643 2HG LYS 84 1HG LYS 84 2.009 -6.802 -11.677 644 1HD LYS 84 2HD LYS 84 2.657 -4.257 -10.186 645 2HD LYS 84 1HD LYS 84 2.586 -5.876 -9.492 646 1HE LYS 84 2HE LYS 84 4.482 -5.007 -11.669 647 2HE LYS 84 1HE LYS 84 4.889 -5.104 -9.958 648 1HZ LYS 84 1HZ LYS 84 4.309 -7.506 -10.070 649 2HZ LYS 84 2HZ LYS 84 5.649 -7.073 -11.014 650 3HZ LYS 84 3HZ LYS 84 4.149 -7.355 -11.752 651 H VAL 85 H VAL 85 -0.716 -6.738 -12.962 652 HA VAL 85 HA VAL 85 0.456 -9.300 -13.417 653 HB VAL 85 HB VAL 85 -2.391 -8.531 -12.734 654 1HG1 VAL 85 1HG1 VAL 85 -2.368 -10.700 -13.853 655 2HG1 VAL 85 2HG1 VAL 85 -2.735 -10.880 -12.137 656 3HG1 VAL 85 3HG1 VAL 85 -1.125 -11.273 -12.740 657 1HG2 VAL 85 1HG2 VAL 85 -0.149 -9.626 -11.037 658 2HG2 VAL 85 2HG2 VAL 85 -1.801 -9.336 -10.491 659 3HG2 VAL 85 3HG2 VAL 85 -0.788 -7.983 -10.994 660 H ARG 86 H ARG 86 -1.994 -7.363 -15.070 661 HA ARG 86 HA ARG 86 -2.507 -9.230 -17.137 662 1HB ARG 86 2HB ARG 86 -4.179 -7.671 -16.950 663 2HB ARG 86 1HB ARG 86 -3.071 -6.368 -16.559 664 1HG ARG 86 2HG ARG 86 -4.055 -5.893 -18.649 665 2HG ARG 86 1HG ARG 86 -2.377 -6.335 -18.945 666 1HD ARG 86 2HD ARG 86 -3.728 -8.740 -19.116 667 2HD ARG 86 1HD ARG 86 -4.825 -7.588 -19.882 668 HE ARG 86 HE ARG 86 -1.992 -7.809 -20.680 669 1HH1 ARG 86 1HH1 ARG 86 -5.398 -7.793 -21.490 670 2HH1 ARG 86 2HH1 ARG 86 -5.117 -7.734 -23.206 671 1HH2 ARG 86 1HH2 ARG 86 -1.612 -7.760 -22.918 672 2HH2 ARG 86 2HH2 ARG 86 -2.958 -7.735 -24.023 673 H LEU 87 H LEU 87 -0.159 -6.693 -16.636 674 HA LEU 87 HA LEU 87 0.773 -6.468 -19.278 675 1HB LEU 87 2HB LEU 87 1.113 -4.762 -17.574 676 2HB LEU 87 1HB LEU 87 2.106 -5.866 -16.642 677 HG LEU 87 HG LEU 87 3.721 -5.914 -18.524 678 1HD1 LEU 87 1HD1 LEU 87 1.979 -3.707 -19.602 679 2HD1 LEU 87 2HD1 LEU 87 2.258 -5.285 -20.339 680 3HD1 LEU 87 3HD1 LEU 87 3.581 -4.126 -20.209 681 1HD2 LEU 87 1HD2 LEU 87 3.141 -3.200 -17.350 682 2HD2 LEU 87 2HD2 LEU 87 4.676 -3.714 -18.050 683 3HD2 LEU 87 3HD2 LEU 87 4.074 -4.485 -16.582 684 H GLU 88 H GLU 88 2.324 -8.016 -16.455 685 HA GLU 88 HA GLU 88 3.798 -9.727 -16.235 686 1HB GLU 88 2HB GLU 88 2.565 -10.613 -18.840 687 2HB GLU 88 1HB GLU 88 3.688 -11.584 -17.902 688 1HG GLU 88 2HG GLU 88 2.099 -11.521 -16.015 689 2HG GLU 88 1HG GLU 88 0.959 -10.660 -17.053 690 H HIS 89 H HIS 89 4.405 -7.313 -18.178 691 HA HIS 89 HA HIS 89 6.505 -8.567 -19.767 692 1HB HIS 89 2HB HIS 89 4.792 -6.800 -20.619 693 2HB HIS 89 1HB HIS 89 5.870 -5.638 -19.850 694 HD1 HIS 89 1HD HIS 89 6.293 -8.584 -22.238 695 HD2 HIS 89 2HD HIS 89 7.704 -4.718 -21.615 696 HE1 HIS 89 1HE HIS 89 7.884 -8.123 -24.132 697 HE2 HIS 89 2HE HIS 89 8.815 -5.830 -23.670 698 H HIS 90 H HIS 90 6.473 -7.953 -16.781 699 HA HIS 90 HA HIS 90 9.210 -6.885 -16.732 700 1HB HIS 90 2HB HIS 90 6.912 -6.167 -14.924 701 2HB HIS 90 1HB HIS 90 8.569 -6.079 -14.339 702 HD1 HIS 90 1HD HIS 90 9.787 -3.963 -14.788 703 HD2 HIS 90 2HD HIS 90 6.464 -4.426 -17.253 704 HE1 HIS 90 1HE HIS 90 9.575 -1.802 -16.061 705 HE2 HIS 90 2HE HIS 90 7.511 -2.068 -17.487 706 H HIS 91 H HIS 91 10.466 -7.703 -14.863 707 HA HIS 91 HA HIS 91 9.830 -10.505 -14.475 708 1HB HIS 91 2HB HIS 91 12.241 -8.858 -13.705 709 2HB HIS 91 1HB HIS 91 12.071 -10.570 -13.328 710 HD1 HIS 91 1HD HIS 91 11.586 -12.093 -15.608 711 HD2 HIS 91 2HD HIS 91 13.481 -8.415 -16.064 712 HE1 HIS 91 1HE HIS 91 12.736 -12.195 -17.845 713 HE2 HIS 91 2HE HIS 91 13.717 -9.896 -18.178 714 H HIS 92 H HIS 92 10.191 -11.463 -12.271 715 HA HIS 92 HA HIS 92 8.341 -10.257 -10.467 716 1HB HIS 92 2HB HIS 92 9.104 -12.809 -10.923 717 2HB HIS 92 1HB HIS 92 10.092 -12.458 -9.510 718 HD1 HIS 92 1HD HIS 92 8.962 -12.723 -7.286 719 HD2 HIS 92 2HD HIS 92 6.247 -12.373 -10.425 720 HE1 HIS 92 1HE HIS 92 6.692 -13.148 -6.281 721 HE2 HIS 92 2HE HIS 92 5.104 -13.156 -8.241 722 H HIS 93 H HIS 93 8.911 -8.496 -9.342 723 HA HIS 93 HA HIS 93 11.597 -7.781 -8.816 724 1HB HIS 93 2HB HIS 93 9.743 -6.144 -9.102 725 2HB HIS 93 1HB HIS 93 9.099 -6.644 -7.542 726 HD1 HIS 93 1HD HIS 93 12.329 -5.179 -8.936 727 HD2 HIS 93 2HD HIS 93 10.021 -5.151 -5.472 728 HE1 HIS 93 1HE HIS 93 13.438 -3.525 -7.391 729 HE2 HIS 93 2HE HIS 93 12.055 -3.551 -5.280 730 H HIS 94 H HIS 94 9.393 -9.767 -7.110 731 HA HIS 94 HA HIS 94 11.402 -10.265 -5.098 732 1HB HIS 94 2HB HIS 94 9.726 -8.353 -4.350 733 2HB HIS 94 1HB HIS 94 8.661 -9.716 -4.026 734 HD1 HIS 94 1HD HIS 94 8.972 -10.867 -1.812 735 HD2 HIS 94 2HD HIS 94 12.232 -8.505 -2.864 736 HE1 HIS 94 1HE HIS 94 10.479 -10.860 0.192 737 HE2 HIS 94 2HE HIS 94 12.544 -9.626 -0.555 Start of MODEL 7 1 1H MET 1 1HT MET 1 -0.441 20.181 5.759 2 2H MET 1 2HT MET 1 -1.503 18.932 5.309 3 3H MET 1 3HT MET 1 -1.522 20.405 4.469 4 HA MET 1 HA MET 1 -0.424 18.610 3.253 5 1HB MET 1 2HB MET 1 1.553 19.894 2.600 6 2HB MET 1 1HB MET 1 0.155 20.944 2.786 7 1HG MET 1 2HG MET 1 0.968 21.679 4.951 8 2HG MET 1 1HG MET 1 2.346 20.590 4.820 9 1HE MET 1 1HE MET 1 3.942 24.163 4.427 10 2HE MET 1 2HE MET 1 3.985 22.650 5.331 11 3HE MET 1 3HE MET 1 2.583 23.713 5.457 12 H TYR 2 H TYR 2 0.958 16.948 3.210 13 HA TYR 2 HA TYR 2 2.562 16.486 5.633 14 1HB TYR 2 2HB TYR 2 1.485 14.505 3.616 15 2HB TYR 2 1HB TYR 2 2.539 14.085 4.962 16 HD1 TYR 2 1HD TYR 2 1.340 15.825 7.086 17 HD2 TYR 2 2HD TYR 2 -0.478 13.345 4.155 18 HE1 TYR 2 1HE TYR 2 -0.618 15.548 8.545 19 HE2 TYR 2 2HE TYR 2 -2.445 13.067 5.601 20 HH TYR 2 HH TYR 2 -3.066 15.005 8.251 21 H THR 3 H THR 3 4.678 16.564 5.486 22 HA THR 3 HA THR 3 5.868 16.672 2.794 23 HB THR 3 HB THR 3 7.699 17.990 3.887 24 HG1 THR 3 1HG THR 3 5.882 18.198 6.079 25 1HG2 THR 3 1HG2 THR 3 5.946 19.134 2.662 26 2HG2 THR 3 2HG2 THR 3 6.389 20.071 4.089 27 3HG2 THR 3 3HG2 THR 3 4.906 19.119 4.087 28 H ALA 4 H ALA 4 8.540 16.463 3.506 29 HA ALA 4 HA ALA 4 8.922 13.692 3.652 30 1HB ALA 4 1HB ALA 4 11.287 14.168 3.842 31 2HB ALA 4 2HB ALA 4 10.943 15.841 4.278 32 3HB ALA 4 3HB ALA 4 10.552 15.251 2.661 33 H GLU 5 H GLU 5 8.866 16.137 6.161 34 HA GLU 5 HA GLU 5 9.912 14.663 8.287 35 1HB GLU 5 2HB GLU 5 9.287 17.135 8.154 36 2HB GLU 5 1HB GLU 5 7.642 16.632 8.505 37 1HG GLU 5 2HG GLU 5 9.766 15.687 10.334 38 2HG GLU 5 1HG GLU 5 9.354 17.396 10.378 39 H GLN 6 H GLN 6 6.622 14.862 7.006 40 HA GLN 6 HA GLN 6 5.475 13.090 8.907 41 1HB GLN 6 2HB GLN 6 4.599 14.085 6.211 42 2HB GLN 6 1HB GLN 6 3.685 12.848 7.056 43 1HG GLN 6 2HG GLN 6 2.713 15.018 7.431 44 2HG GLN 6 1HG GLN 6 3.361 14.377 8.936 45 1HE2 GLN 6 1HE2 GLN 6 5.047 15.404 9.925 46 2HE2 GLN 6 2HE2 GLN 6 5.642 16.948 9.428 47 H LYS 7 H LYS 7 6.909 12.699 5.712 48 HA LYS 7 HA LYS 7 6.343 9.972 5.356 49 1HB LYS 7 2HB LYS 7 8.631 11.659 4.349 50 2HB LYS 7 1HB LYS 7 8.406 9.981 3.888 51 1HG LYS 7 2HG LYS 7 6.108 10.661 3.062 52 2HG LYS 7 1HG LYS 7 6.649 12.330 3.262 53 1HD LYS 7 2HD LYS 7 6.988 11.592 0.963 54 2HD LYS 7 1HD LYS 7 8.536 11.892 1.754 55 1HE LYS 7 2HE LYS 7 8.762 9.479 2.184 56 2HE LYS 7 1HE LYS 7 7.237 9.196 1.350 57 1HZ LYS 7 1HZ LYS 7 8.255 10.144 -0.668 58 2HZ LYS 7 2HZ LYS 7 9.058 8.750 -0.125 59 3HZ LYS 7 3HZ LYS 7 9.733 10.278 0.153 60 H ALA 8 H ALA 8 8.889 11.617 7.138 61 HA ALA 8 HA ALA 8 10.534 9.394 7.655 62 1HB ALA 8 1HB ALA 8 11.233 11.704 8.053 63 2HB ALA 8 2HB ALA 8 11.437 10.711 9.497 64 3HB ALA 8 3HB ALA 8 10.076 11.827 9.378 65 H ARG 9 H ARG 9 7.739 10.696 9.406 66 HA ARG 9 HA ARG 9 7.832 8.925 11.596 67 1HB ARG 9 2HB ARG 9 5.334 10.094 10.361 68 2HB ARG 9 1HB ARG 9 5.534 9.537 12.016 69 1HG ARG 9 2HG ARG 9 7.159 11.351 12.396 70 2HG ARG 9 1HG ARG 9 6.861 11.929 10.755 71 1HD ARG 9 2HD ARG 9 4.420 12.081 11.397 72 2HD ARG 9 1HD ARG 9 4.933 11.811 13.062 73 HE ARG 9 HE ARG 9 6.329 13.974 11.765 74 1HH1 ARG 9 1HH1 ARG 9 3.545 13.072 13.702 75 2HH1 ARG 9 2HH1 ARG 9 3.196 14.703 14.187 76 1HH2 ARG 9 1HH2 ARG 9 5.872 16.113 12.394 77 2HH2 ARG 9 2HH2 ARG 9 4.503 16.436 13.425 78 H ILE 10 H ILE 10 6.423 8.695 8.398 79 HA ILE 10 HA ILE 10 5.150 6.176 8.750 80 HB ILE 10 HB ILE 10 6.098 7.507 6.202 81 1HG1 ILE 10 2HG1 ILE 10 3.370 7.547 7.516 82 2HG1 ILE 10 1HG1 ILE 10 4.517 8.879 7.538 83 1HG2 ILE 10 1HG2 ILE 10 5.699 5.156 5.842 84 2HG2 ILE 10 2HG2 ILE 10 4.384 6.081 5.116 85 3HG2 ILE 10 3HG2 ILE 10 4.138 5.257 6.657 86 1HD1 ILE 10 1HD1 ILE 10 2.782 9.228 5.874 87 2HD1 ILE 10 2HD1 ILE 10 3.230 7.716 5.084 88 3HD1 ILE 10 3HD1 ILE 10 4.366 9.063 5.114 89 H LYS 11 H LYS 11 8.292 7.227 7.537 90 HA LYS 11 HA LYS 11 9.289 4.904 6.441 91 1HB LYS 11 2HB LYS 11 10.593 6.760 6.056 92 2HB LYS 11 1HB LYS 11 10.473 7.329 7.710 93 1HG LYS 11 2HG LYS 11 12.708 6.736 7.414 94 2HG LYS 11 1HG LYS 11 12.002 5.408 8.331 95 1HD LYS 11 2HD LYS 11 11.811 4.091 6.280 96 2HD LYS 11 1HD LYS 11 12.500 5.430 5.354 97 1HE LYS 11 2HE LYS 11 14.543 5.292 6.712 98 2HE LYS 11 1HE LYS 11 13.858 3.922 7.584 99 1HZ LYS 11 1HZ LYS 11 14.521 4.016 4.691 100 2HZ LYS 11 2HZ LYS 11 13.769 2.712 5.469 101 3HZ LYS 11 3HZ LYS 11 15.349 3.158 5.893 102 H TRP 12 H TRP 12 9.260 5.852 9.856 103 HA TRP 12 HA TRP 12 10.875 3.662 10.696 104 1HB TRP 12 2HB TRP 12 9.100 5.571 12.201 105 2HB TRP 12 1HB TRP 12 9.943 4.256 12.999 106 HD1 TRP 12 HD TRP 12 10.893 7.280 10.729 107 HE1 TRP 12 1HE TRP 12 13.181 8.169 11.532 108 HE3 TRP 12 3HE TRP 12 11.801 3.868 14.383 109 HZ2 TRP 12 2HZ TRP 12 15.115 7.487 13.493 110 HZ3 TRP 12 3HZ TRP 12 13.886 4.038 15.689 111 HH2 TRP 12 HH TRP 12 15.509 5.813 15.251 112 H ALA 13 H ALA 13 7.458 3.963 10.060 113 HA ALA 13 HA ALA 13 7.012 1.382 11.416 114 1HB ALA 13 1HB ALA 13 5.883 3.249 12.512 115 2HB ALA 13 2HB ALA 13 4.734 2.086 11.850 116 3HB ALA 13 3HB ALA 13 5.030 3.610 11.013 117 H CYS 14 H CYS 14 7.381 2.531 8.398 118 HA CYS 14 HA CYS 14 5.021 1.639 7.088 119 1HB CYS 14 2HB CYS 14 6.359 1.873 5.002 120 2HB CYS 14 1HB CYS 14 6.411 3.303 6.028 121 HG CYS 14 HG CYS 14 8.918 2.503 4.674 122 H ARG 15 H ARG 15 7.950 0.066 8.065 123 HA ARG 15 HA ARG 15 7.385 -2.303 6.489 124 1HB ARG 15 2HB ARG 15 9.421 -3.218 7.564 125 2HB ARG 15 1HB ARG 15 9.709 -1.688 6.753 126 1HG ARG 15 2HG ARG 15 9.534 -0.554 8.954 127 2HG ARG 15 1HG ARG 15 9.423 -2.145 9.712 128 1HD ARG 15 2HD ARG 15 11.601 -2.747 8.777 129 2HD ARG 15 1HD ARG 15 11.709 -1.172 7.996 130 HE ARG 15 HE ARG 15 11.995 -1.741 10.858 131 1HH1 ARG 15 1HH1 ARG 15 11.931 0.619 8.268 132 2HH1 ARG 15 2HH1 ARG 15 12.823 1.810 9.160 133 1HH2 ARG 15 1HH2 ARG 15 13.171 -0.145 12.040 134 2HH2 ARG 15 2HH2 ARG 15 13.515 1.388 11.289 135 H ARG 16 H ARG 16 6.156 -1.013 9.208 136 HA ARG 16 HA ARG 16 5.064 -1.707 11.057 137 1HB ARG 16 2HB ARG 16 3.688 -2.859 9.380 138 2HB ARG 16 1HB ARG 16 4.752 -4.257 9.457 139 1HG ARG 16 2HG ARG 16 2.735 -4.650 10.728 140 2HG ARG 16 1HG ARG 16 4.135 -4.590 11.800 141 1HD ARG 16 2HD ARG 16 3.561 -2.161 12.201 142 2HD ARG 16 1HD ARG 16 2.036 -2.477 11.373 143 HE ARG 16 HE ARG 16 2.308 -4.417 13.344 144 1HH1 ARG 16 1HH1 ARG 16 1.888 -0.950 13.097 145 2HH1 ARG 16 2HH1 ARG 16 1.167 -0.796 14.666 146 1HH2 ARG 16 1HH2 ARG 16 1.373 -4.222 15.417 147 2HH2 ARG 16 2HH2 ARG 16 0.844 -2.665 15.981 148 H GLY 17 H GLY 17 6.154 -4.956 10.380 149 1HA GLY 17 2HA GLY 17 8.463 -4.804 12.093 150 2HA GLY 17 1HA GLY 17 7.122 -5.704 12.797 151 H MET 18 H MET 18 7.392 -5.702 9.380 152 HA MET 18 HA MET 18 8.583 -8.380 9.388 153 1HB MET 18 2HB MET 18 6.067 -8.524 9.521 154 2HB MET 18 1HB MET 18 5.999 -7.704 7.969 155 1HG MET 18 2HG MET 18 5.723 -10.056 7.628 156 2HG MET 18 1HG MET 18 7.284 -9.563 6.970 157 1HE MET 18 1HE MET 18 6.803 -11.734 11.022 158 2HE MET 18 2HE MET 18 5.442 -11.302 9.984 159 3HE MET 18 3HE MET 18 6.387 -10.039 10.770 160 H LEU 19 H LEU 19 10.159 -8.400 7.935 161 HA LEU 19 HA LEU 19 10.602 -6.216 6.184 162 1HB LEU 19 2HB LEU 19 11.923 -8.872 6.591 163 2HB LEU 19 1HB LEU 19 12.379 -7.858 5.240 164 HG LEU 19 HG LEU 19 12.939 -6.045 6.841 165 1HD1 LEU 19 1HD1 LEU 19 11.531 -6.705 8.701 166 2HD1 LEU 19 2HD1 LEU 19 13.218 -6.597 9.205 167 3HD1 LEU 19 3HD1 LEU 19 12.480 -8.174 8.919 168 1HD2 LEU 19 1HD2 LEU 19 15.023 -7.062 7.630 169 2HD2 LEU 19 2HD2 LEU 19 14.675 -7.486 5.954 170 3HD2 LEU 19 3HD2 LEU 19 14.384 -8.658 7.239 171 H GLU 20 H GLU 20 8.969 -9.209 5.857 172 HA GLU 20 HA GLU 20 9.036 -9.498 3.047 173 1HB GLU 20 2HB GLU 20 6.840 -10.374 4.927 174 2HB GLU 20 1HB GLU 20 7.195 -11.037 3.338 175 1HG GLU 20 2HG GLU 20 9.362 -11.837 4.178 176 2HG GLU 20 1HG GLU 20 8.948 -11.219 5.777 177 H LEU 21 H LEU 21 7.308 -7.367 5.123 178 HA LEU 21 HA LEU 21 5.256 -6.860 3.099 179 1HB LEU 21 2HB LEU 21 5.431 -5.943 5.966 180 2HB LEU 21 1HB LEU 21 4.094 -5.624 4.877 181 HG LEU 21 HG LEU 21 4.968 -8.366 5.784 182 1HD1 LEU 21 1HD1 LEU 21 2.608 -6.692 6.619 183 2HD1 LEU 21 2HD1 LEU 21 4.019 -7.066 7.608 184 3HD1 LEU 21 3HD1 LEU 21 2.922 -8.356 7.112 185 1HD2 LEU 21 1HD2 LEU 21 2.877 -9.117 4.765 186 2HD2 LEU 21 2HD2 LEU 21 3.949 -8.387 3.571 187 3HD2 LEU 21 3HD2 LEU 21 2.567 -7.480 4.186 188 H ASP 22 H ASP 22 8.137 -5.500 4.352 189 HA ASP 22 HA ASP 22 7.688 -2.765 4.115 190 1HB ASP 22 2HB ASP 22 9.738 -3.626 5.099 191 2HB ASP 22 1HB ASP 22 10.222 -4.325 3.557 192 H VAL 23 H VAL 23 8.623 -5.113 1.662 193 HA VAL 23 HA VAL 23 9.071 -3.141 -0.359 194 HB VAL 23 HB VAL 23 9.371 -5.051 -1.884 195 1HG1 VAL 23 1HG1 VAL 23 11.248 -4.252 -0.548 196 2HG1 VAL 23 2HG1 VAL 23 11.340 -5.999 -0.774 197 3HG1 VAL 23 3HG1 VAL 23 10.790 -5.337 0.765 198 1HG2 VAL 23 1HG2 VAL 23 9.265 -7.336 -1.029 199 2HG2 VAL 23 2HG2 VAL 23 7.690 -6.550 -0.920 200 3HG2 VAL 23 3HG2 VAL 23 8.684 -6.737 0.525 201 H VAL 24 H VAL 24 6.243 -4.667 0.796 202 HA VAL 24 HA VAL 24 4.896 -4.276 -1.785 203 HB VAL 24 HB VAL 24 4.645 -6.487 -0.636 204 1HG1 VAL 24 1HG1 VAL 24 3.014 -4.909 1.346 205 2HG1 VAL 24 2HG1 VAL 24 4.540 -5.734 1.667 206 3HG1 VAL 24 3HG1 VAL 24 3.103 -6.669 1.252 207 1HG2 VAL 24 1HG2 VAL 24 2.241 -6.684 -1.046 208 2HG2 VAL 24 2HG2 VAL 24 3.044 -5.759 -2.314 209 3HG2 VAL 24 3HG2 VAL 24 2.102 -4.926 -1.077 210 H ILE 25 H ILE 25 5.183 -2.939 1.365 211 HA ILE 25 HA ILE 25 2.692 -1.443 1.114 212 HB ILE 25 HB ILE 25 4.701 -1.529 3.371 213 1HG1 ILE 25 2HG1 ILE 25 1.912 -2.690 3.132 214 2HG1 ILE 25 1HG1 ILE 25 3.410 -3.613 3.054 215 1HG2 ILE 25 1HG2 ILE 25 2.010 -0.165 3.241 216 2HG2 ILE 25 2HG2 ILE 25 3.579 0.640 3.278 217 3HG2 ILE 25 3HG2 ILE 25 3.033 -0.293 4.671 218 1HD1 ILE 25 1HD1 ILE 25 2.432 -2.047 5.433 219 2HD1 ILE 25 2HD1 ILE 25 3.905 -3.014 5.357 220 3HD1 ILE 25 3HD1 ILE 25 2.331 -3.796 5.230 221 H MET 26 H MET 26 6.138 -0.658 1.741 222 HA MET 26 HA MET 26 5.623 2.120 1.686 223 1HB MET 26 2HB MET 26 7.475 1.149 2.961 224 2HB MET 26 1HB MET 26 8.279 0.705 1.460 225 1HG MET 26 2HG MET 26 8.532 3.028 0.861 226 2HG MET 26 1HG MET 26 7.613 3.524 2.280 227 1HE MET 26 1HE MET 26 9.606 5.209 2.891 228 2HE MET 26 2HE MET 26 10.513 4.656 1.484 229 3HE MET 26 3HE MET 26 11.286 4.700 3.069 230 HA PRO 27 HA PRO 27 7.912 2.178 -2.647 231 1HB PRO 27 2HB PRO 27 7.106 -0.516 -3.629 232 2HB PRO 27 1HB PRO 27 8.607 0.377 -3.898 233 1HG PRO 27 2HG PRO 27 8.557 -1.675 -2.213 234 2HG PRO 27 1HG PRO 27 9.480 -0.209 -1.821 235 1HD PRO 27 2HD PRO 27 6.813 -1.103 -0.795 236 2HD PRO 27 1HD PRO 27 8.158 -0.340 0.077 237 H PHE 28 H PHE 28 5.014 0.128 -2.382 238 HA PHE 28 HA PHE 28 3.712 1.274 -4.633 239 1HB PHE 28 2HB PHE 28 2.708 -0.351 -2.299 240 2HB PHE 28 1HB PHE 28 1.646 0.216 -3.581 241 HD1 PHE 28 2HD PHE 28 4.488 -1.988 -2.793 242 HD2 PHE 28 1HD PHE 28 1.616 -0.823 -5.707 243 HE1 PHE 28 2HE PHE 28 5.066 -3.959 -4.146 244 HE2 PHE 28 1HE PHE 28 2.190 -2.787 -7.067 245 HZ PHE 28 HZ PHE 28 3.918 -4.360 -6.289 246 H PHE 29 H PHE 29 3.700 1.955 -1.173 247 HA PHE 29 HA PHE 29 1.660 3.890 -1.195 248 1HB PHE 29 2HB PHE 29 2.470 2.965 0.908 249 2HB PHE 29 1HB PHE 29 4.067 3.649 0.625 250 HD1 PHE 29 2HD PHE 29 0.505 4.698 0.927 251 HD2 PHE 29 1HD PHE 29 4.594 5.672 1.583 252 HE1 PHE 29 2HE PHE 29 -0.177 6.757 2.086 253 HE2 PHE 29 1HE PHE 29 3.922 7.737 2.738 254 HZ PHE 29 HZ PHE 29 1.532 8.281 2.992 255 H GLU 30 H GLU 30 5.166 4.186 -1.697 256 HA GLU 30 HA GLU 30 5.201 6.999 -1.866 257 1HB GLU 30 2HB GLU 30 7.065 5.002 -3.154 258 2HB GLU 30 1HB GLU 30 7.382 6.723 -2.972 259 1HG GLU 30 2HG GLU 30 6.872 6.167 -0.449 260 2HG GLU 30 1HG GLU 30 7.397 4.564 -0.949 261 H GLU 31 H GLU 31 4.625 4.514 -4.234 262 HA GLU 31 HA GLU 31 4.544 6.160 -6.533 263 1HB GLU 31 2HB GLU 31 3.389 3.465 -5.868 264 2HB GLU 31 1HB GLU 31 3.022 4.247 -7.400 265 1HG GLU 31 2HG GLU 31 5.840 3.803 -6.477 266 2HG GLU 31 1HG GLU 31 4.934 2.580 -7.367 267 H CYS 32 H CYS 32 1.940 4.943 -4.428 268 HA CYS 32 HA CYS 32 -0.090 6.381 -5.854 269 1HB CYS 32 2HB CYS 32 -0.285 5.113 -3.117 270 2HB CYS 32 1HB CYS 32 -1.613 5.502 -4.208 271 HG CYS 32 HG CYS 32 0.645 2.966 -4.437 272 H PHE 33 H PHE 33 2.001 7.091 -3.230 273 HA PHE 33 HA PHE 33 0.596 8.930 -1.715 274 1HB PHE 33 2HB PHE 33 2.645 8.190 -0.863 275 2HB PHE 33 1HB PHE 33 3.511 8.565 -2.340 276 HD1 PHE 33 2HD PHE 33 2.105 9.920 0.759 277 HD2 PHE 33 1HD PHE 33 4.368 10.780 -2.740 278 HE1 PHE 33 2HE PHE 33 2.848 12.039 1.763 279 HE2 PHE 33 1HE PHE 33 5.116 12.899 -1.741 280 HZ PHE 33 HZ PHE 33 4.358 13.531 0.513 281 H ASP 34 H ASP 34 2.280 9.406 -4.761 282 HA ASP 34 HA ASP 34 2.225 12.234 -4.735 283 1HB ASP 34 2HB ASP 34 3.700 10.853 -6.192 284 2HB ASP 34 1HB ASP 34 2.285 10.392 -7.133 285 H SER 35 H SER 35 -0.166 9.865 -5.373 286 HA SER 35 HA SER 35 -1.926 11.791 -6.708 287 1HB SER 35 2HB SER 35 -1.630 9.597 -7.794 288 2HB SER 35 1HB SER 35 -2.206 8.796 -6.335 289 HG SER 35 HG SER 35 -3.787 10.725 -7.667 290 H LEU 36 H LEU 36 -1.600 9.844 -3.805 291 HA LEU 36 HA LEU 36 -4.261 10.063 -2.876 292 1HB LEU 36 2HB LEU 36 -1.704 9.589 -1.344 293 2HB LEU 36 1HB LEU 36 -3.314 9.405 -0.677 294 HG LEU 36 HG LEU 36 -2.157 7.773 -2.939 295 1HD1 LEU 36 1HD1 LEU 36 -1.125 7.245 -0.804 296 2HD1 LEU 36 2HD1 LEU 36 -2.190 5.936 -1.319 297 3HD1 LEU 36 3HD1 LEU 36 -2.715 7.059 -0.064 298 1HD2 LEU 36 1HD2 LEU 36 -4.173 6.410 -2.701 299 2HD2 LEU 36 2HD2 LEU 36 -4.569 8.068 -3.156 300 3HD2 LEU 36 3HD2 LEU 36 -4.792 7.533 -1.490 301 H THR 37 H THR 37 -5.127 11.292 -1.186 302 HA THR 37 HA THR 37 -3.856 13.907 -0.795 303 HB THR 37 HB THR 37 -6.164 14.583 0.008 304 HG1 THR 37 1HG THR 37 -7.238 12.396 -1.382 305 1HG2 THR 37 1HG2 THR 37 -5.363 15.146 -2.231 306 2HG2 THR 37 2HG2 THR 37 -7.088 14.776 -2.258 307 3HG2 THR 37 3HG2 THR 37 -5.921 13.585 -2.833 308 H GLU 38 H GLU 38 -4.553 14.875 1.461 309 HA GLU 38 HA GLU 38 -3.219 13.380 3.424 310 1HB GLU 38 2HB GLU 38 -5.071 15.750 3.700 311 2HB GLU 38 1HB GLU 38 -4.100 15.105 5.012 312 1HG GLU 38 2HG GLU 38 -2.093 15.525 3.594 313 2HG GLU 38 1HG GLU 38 -3.142 16.365 2.460 314 H SER 39 H SER 39 -6.666 13.781 2.761 315 HA SER 39 HA SER 39 -7.708 12.453 4.968 316 1HB SER 39 2HB SER 39 -8.758 12.362 2.131 317 2HB SER 39 1HB SER 39 -9.679 12.077 3.603 318 HG SER 39 HG SER 39 -9.137 14.264 4.211 319 H GLU 40 H GLU 40 -6.496 11.163 1.909 320 HA GLU 40 HA GLU 40 -7.057 8.431 2.479 321 1HB GLU 40 2HB GLU 40 -4.948 9.596 0.642 322 2HB GLU 40 1HB GLU 40 -5.555 7.948 0.606 323 1HG GLU 40 2HG GLU 40 -7.354 10.299 0.162 324 2HG GLU 40 1HG GLU 40 -6.411 9.586 -1.146 325 H GLN 41 H GLN 41 -4.207 10.460 2.699 326 HA GLN 41 HA GLN 41 -2.348 8.564 3.523 327 1HB GLN 41 2HB GLN 41 -2.560 11.535 3.944 328 2HB GLN 41 1HB GLN 41 -1.163 10.617 4.475 329 1HG GLN 41 2HG GLN 41 -0.657 9.960 2.231 330 2HG GLN 41 1HG GLN 41 -2.163 10.664 1.640 331 1HE2 GLN 41 1HE2 GLN 41 1.031 11.312 2.835 332 2HE2 GLN 41 2HE2 GLN 41 1.100 12.962 2.332 333 H ASP 42 H ASP 42 -4.537 10.570 5.455 334 HA ASP 42 HA ASP 42 -3.323 9.957 7.952 335 1HB ASP 42 2HB ASP 42 -4.722 11.952 7.612 336 2HB ASP 42 1HB ASP 42 -6.131 10.925 7.381 337 H ASP 43 H ASP 43 -6.060 8.613 6.205 338 HA ASP 43 HA ASP 43 -6.893 6.811 8.226 339 1HB ASP 43 2HB ASP 43 -8.015 7.600 5.938 340 2HB ASP 43 1HB ASP 43 -7.258 6.130 5.337 341 H PHE 44 H PHE 44 -4.682 6.547 5.488 342 HA PHE 44 HA PHE 44 -4.131 3.784 5.784 343 1HB PHE 44 2HB PHE 44 -3.748 5.071 3.696 344 2HB PHE 44 1HB PHE 44 -2.409 5.901 4.481 345 HD1 PHE 44 2HD PHE 44 -3.607 2.615 3.300 346 HD2 PHE 44 1HD PHE 44 -0.267 4.896 4.631 347 HE1 PHE 44 2HE PHE 44 -2.095 0.810 2.586 348 HE2 PHE 44 1HE PHE 44 1.248 3.094 3.916 349 HZ PHE 44 HZ PHE 44 0.334 1.051 2.894 350 H VAL 45 H VAL 45 -2.444 6.701 6.948 351 HA VAL 45 HA VAL 45 -0.267 5.366 8.136 352 HB VAL 45 HB VAL 45 -1.556 8.000 8.873 353 1HG1 VAL 45 1HG1 VAL 45 -0.359 7.118 10.807 354 2HG1 VAL 45 2HG1 VAL 45 0.515 8.485 10.115 355 3HG1 VAL 45 3HG1 VAL 45 1.069 6.838 9.813 356 1HG2 VAL 45 1HG2 VAL 45 0.366 8.965 7.704 357 2HG2 VAL 45 2HG2 VAL 45 -0.578 7.924 6.638 358 3HG2 VAL 45 3HG2 VAL 45 0.944 7.345 7.316 359 H ALA 46 H ALA 46 -3.465 6.223 9.371 360 HA ALA 46 HA ALA 46 -3.184 5.351 12.006 361 1HB ALA 46 1HB ALA 46 -5.138 6.596 11.163 362 2HB ALA 46 2HB ALA 46 -5.600 5.150 12.061 363 3HB ALA 46 3HB ALA 46 -5.666 5.152 10.298 364 H LEU 47 H LEU 47 -3.830 3.556 9.058 365 HA LEU 47 HA LEU 47 -4.386 1.056 10.256 366 1HB LEU 47 2HB LEU 47 -4.826 1.810 7.853 367 2HB LEU 47 1HB LEU 47 -3.138 1.474 7.543 368 HG LEU 47 HG LEU 47 -5.057 -0.630 8.549 369 1HD1 LEU 47 1HD1 LEU 47 -5.877 0.214 6.419 370 2HD1 LEU 47 2HD1 LEU 47 -5.192 -1.399 6.222 371 3HD1 LEU 47 3HD1 LEU 47 -4.274 0.016 5.709 372 1HD2 LEU 47 1HD2 LEU 47 -3.394 -2.184 7.677 373 2HD2 LEU 47 2HD2 LEU 47 -2.670 -1.113 8.877 374 3HD2 LEU 47 3HD2 LEU 47 -2.385 -0.835 7.159 375 H LEU 48 H LEU 48 -1.389 2.527 9.041 376 HA LEU 48 HA LEU 48 0.258 0.270 9.388 377 1HB LEU 48 2HB LEU 48 0.961 3.201 9.375 378 2HB LEU 48 1HB LEU 48 2.137 1.904 9.312 379 HG LEU 48 HG LEU 48 0.035 2.479 7.218 380 1HD1 LEU 48 1HD1 LEU 48 3.027 2.859 7.196 381 2HD1 LEU 48 2HD1 LEU 48 1.816 4.140 7.250 382 3HD1 LEU 48 3HD1 LEU 48 1.947 3.109 5.825 383 1HD2 LEU 48 1HD2 LEU 48 2.245 0.427 7.282 384 2HD2 LEU 48 2HD2 LEU 48 1.195 0.765 5.905 385 3HD2 LEU 48 3HD2 LEU 48 0.516 0.096 7.390 386 H GLU 49 H GLU 49 -0.794 2.729 11.620 387 HA GLU 49 HA GLU 49 1.100 2.096 13.668 388 1HB GLU 49 2HB GLU 49 -1.595 3.441 13.903 389 2HB GLU 49 1HB GLU 49 -0.320 3.457 15.113 390 1HG GLU 49 2HG GLU 49 1.124 4.692 13.593 391 2HG GLU 49 1HG GLU 49 -0.141 4.662 12.363 392 H SER 50 H SER 50 -1.811 0.728 12.542 393 HA SER 50 HA SER 50 -2.189 -0.863 14.974 394 1HB SER 50 2HB SER 50 -3.945 -0.807 12.510 395 2HB SER 50 1HB SER 50 -4.370 -1.367 14.128 396 HG SER 50 HG SER 50 -4.043 1.267 13.176 397 H ASP 51 H ASP 51 -2.854 -3.241 14.390 398 HA ASP 51 HA ASP 51 -0.723 -4.413 12.907 399 1HB ASP 51 2HB ASP 51 -3.194 -5.556 14.203 400 2HB ASP 51 1HB ASP 51 -2.076 -6.556 13.277 401 H ASP 52 H ASP 52 -1.083 -5.931 11.076 402 HA ASP 52 HA ASP 52 -2.986 -4.663 9.215 403 1HB ASP 52 2HB ASP 52 -1.251 -5.078 7.466 404 2HB ASP 52 1HB ASP 52 -0.726 -3.974 8.735 405 HA PRO 53 HA PRO 53 -3.517 -9.340 8.834 406 1HB PRO 53 2HB PRO 53 -6.094 -9.206 10.161 407 2HB PRO 53 1HB PRO 53 -4.684 -10.174 10.594 408 1HG PRO 53 2HG PRO 53 -5.595 -8.096 12.104 409 2HG PRO 53 1HG PRO 53 -3.898 -8.612 12.069 410 1HD PRO 53 2HD PRO 53 -5.216 -6.334 10.629 411 2HD PRO 53 1HD PRO 53 -3.639 -6.387 11.449 412 H ASP 54 H ASP 54 -5.845 -6.696 8.834 413 HA ASP 54 HA ASP 54 -7.543 -7.688 6.805 414 1HB ASP 54 2HB ASP 54 -6.974 -4.819 7.595 415 2HB ASP 54 1HB ASP 54 -8.322 -5.352 6.597 416 H LEU 55 H LEU 55 -4.713 -5.572 6.757 417 HA LEU 55 HA LEU 55 -4.778 -4.873 4.050 418 1HB LEU 55 2HB LEU 55 -3.359 -3.854 5.875 419 2HB LEU 55 1HB LEU 55 -2.300 -5.241 5.739 420 HG LEU 55 HG LEU 55 -2.855 -3.503 3.349 421 1HD1 LEU 55 1HD1 LEU 55 -0.873 -2.192 3.915 422 2HD1 LEU 55 2HD1 LEU 55 -0.735 -3.050 5.449 423 3HD1 LEU 55 3HD1 LEU 55 -2.128 -2.012 5.141 424 1HD2 LEU 55 1HD2 LEU 55 -1.731 -5.646 2.975 425 2HD2 LEU 55 2HD2 LEU 55 -0.497 -5.210 4.157 426 3HD2 LEU 55 3HD2 LEU 55 -0.646 -4.292 2.658 427 H PHE 56 H PHE 56 -3.028 -7.494 5.692 428 HA PHE 56 HA PHE 56 -1.901 -8.632 3.388 429 1HB PHE 56 2HB PHE 56 -1.260 -9.106 5.792 430 2HB PHE 56 1HB PHE 56 -2.699 -10.112 5.897 431 HD1 PHE 56 2HD PHE 56 0.539 -9.735 4.155 432 HD2 PHE 56 1HD PHE 56 -2.711 -12.319 5.083 433 HE1 PHE 56 2HE PHE 56 1.800 -11.641 3.246 434 HE2 PHE 56 1HE PHE 56 -1.452 -14.233 4.176 435 HZ PHE 56 HZ PHE 56 0.808 -13.892 3.257 436 H ALA 57 H ALA 57 -4.962 -9.183 5.031 437 HA ALA 57 HA ALA 57 -5.732 -11.485 3.590 438 1HB ALA 57 1HB ALA 57 -7.503 -9.499 5.000 439 2HB ALA 57 2HB ALA 57 -6.677 -10.853 5.770 440 3HB ALA 57 3HB ALA 57 -7.921 -11.156 4.557 441 H TRP 58 H TRP 58 -6.315 -8.029 3.034 442 HA TRP 58 HA TRP 58 -8.174 -8.472 0.938 443 1HB TRP 58 2HB TRP 58 -6.697 -6.081 1.922 444 2HB TRP 58 1HB TRP 58 -7.486 -6.010 0.346 445 HD1 TRP 58 HD TRP 58 -8.380 -6.829 4.000 446 HE1 TRP 58 1HE TRP 58 -10.825 -6.148 4.410 447 HE3 TRP 58 3HE TRP 58 -9.615 -5.393 -0.734 448 HZ2 TRP 58 2HZ TRP 58 -13.000 -5.152 2.911 449 HZ3 TRP 58 3HZ TRP 58 -11.903 -4.597 -1.166 450 HH2 TRP 58 HH TRP 58 -13.558 -4.481 0.617 451 H VAL 59 H VAL 59 -4.687 -8.032 1.022 452 HA VAL 59 HA VAL 59 -4.307 -7.762 -1.761 453 HB VAL 59 HB VAL 59 -2.409 -8.861 0.323 454 1HG1 VAL 59 1HG1 VAL 59 -1.858 -7.906 -2.488 455 2HG1 VAL 59 2HG1 VAL 59 -1.746 -9.568 -1.911 456 3HG1 VAL 59 3HG1 VAL 59 -0.635 -8.346 -1.294 457 1HG2 VAL 59 1HG2 VAL 59 -2.653 -6.102 -0.871 458 2HG2 VAL 59 2HG2 VAL 59 -1.428 -6.625 0.286 459 3HG2 VAL 59 3HG2 VAL 59 -3.125 -6.570 0.762 460 H MET 60 H MET 60 -4.321 -10.613 0.374 461 HA MET 60 HA MET 60 -3.855 -12.428 -1.780 462 1HB MET 60 2HB MET 60 -3.194 -12.760 0.648 463 2HB MET 60 1HB MET 60 -4.891 -13.087 0.976 464 1HG MET 60 2HG MET 60 -4.844 -14.930 -0.580 465 2HG MET 60 1HG MET 60 -3.153 -14.605 -0.934 466 1HE MET 60 1HE MET 60 -2.348 -17.028 -0.375 467 2HE MET 60 2HE MET 60 -4.036 -17.482 -0.141 468 3HE MET 60 3HE MET 60 -2.834 -17.919 1.071 469 H GLY 61 H GLY 61 -6.571 -10.814 -0.523 470 1HA GLY 61 2HA GLY 61 -8.702 -10.727 -1.432 471 2HA GLY 61 1HA GLY 61 -8.265 -12.051 -2.502 472 H HIS 62 H HIS 62 -8.092 -12.032 1.027 473 HA HIS 62 HA HIS 62 -10.270 -14.026 1.081 474 1HB HIS 62 2HB HIS 62 -7.637 -14.090 2.552 475 2HB HIS 62 1HB HIS 62 -9.022 -15.046 3.054 476 HD1 HIS 62 1HD HIS 62 -6.297 -16.253 2.118 477 HD2 HIS 62 2HD HIS 62 -9.690 -15.834 -0.258 478 HE1 HIS 62 1HE HIS 62 -6.076 -17.978 0.298 479 HE2 HIS 62 2HE HIS 62 -8.050 -17.593 -1.220 480 H GLY 63 H GLY 63 -9.612 -10.983 1.942 481 1HA GLY 63 2HA GLY 63 -10.849 -11.284 4.603 482 2HA GLY 63 1HA GLY 63 -9.495 -10.200 4.337 483 H ARG 64 H ARG 64 -11.979 -9.518 5.435 484 HA ARG 64 HA ARG 64 -12.742 -7.408 3.530 485 1HB ARG 64 2HB ARG 64 -14.612 -8.954 5.343 486 2HB ARG 64 1HB ARG 64 -15.049 -7.456 4.541 487 1HG ARG 64 2HG ARG 64 -15.960 -9.096 3.182 488 2HG ARG 64 1HG ARG 64 -14.458 -8.669 2.366 489 1HD ARG 64 2HD ARG 64 -13.382 -10.617 3.525 490 2HD ARG 64 1HD ARG 64 -14.989 -11.086 4.085 491 HE ARG 64 HE ARG 64 -15.104 -10.760 1.314 492 1HH1 ARG 64 1HH1 ARG 64 -13.557 -12.852 3.652 493 2HH1 ARG 64 2HH1 ARG 64 -13.515 -14.229 2.588 494 1HH2 ARG 64 1HH2 ARG 64 -15.017 -12.546 -0.107 495 2HH2 ARG 64 2HH2 ARG 64 -14.328 -14.051 0.437 496 H CYS 65 H CYS 65 -13.051 -5.378 4.496 497 HA CYS 65 HA CYS 65 -12.079 -5.251 7.269 498 1HB CYS 65 2HB CYS 65 -11.223 -2.993 6.705 499 2HB CYS 65 1HB CYS 65 -10.481 -4.260 5.735 500 HG CYS 65 HG CYS 65 -11.920 -1.535 4.735 501 H GLU 66 H GLU 66 -12.898 -3.510 8.593 502 HA GLU 66 HA GLU 66 -15.738 -3.281 8.363 503 1HB GLU 66 2HB GLU 66 -13.977 -1.736 10.264 504 2HB GLU 66 1HB GLU 66 -15.659 -2.192 10.481 505 1HG GLU 66 2HG GLU 66 -13.272 -4.021 10.501 506 2HG GLU 66 1HG GLU 66 -14.260 -3.546 11.877 507 H ASN 67 H ASN 67 -12.987 -1.137 7.878 508 HA ASN 67 HA ASN 67 -14.792 0.972 6.906 509 1HB ASN 67 2HB ASN 67 -13.227 1.746 8.589 510 2HB ASN 67 1HB ASN 67 -11.872 1.058 7.701 511 1HD2 ASN 67 1HD2 ASN 67 -10.817 3.013 7.526 512 2HD2 ASN 67 2HD2 ASN 67 -11.362 4.284 6.488 513 H LEU 68 H LEU 68 -15.193 0.798 4.798 514 HA LEU 68 HA LEU 68 -13.386 -0.491 2.988 515 1HB LEU 68 2HB LEU 68 -15.937 1.041 2.545 516 2HB LEU 68 1HB LEU 68 -15.001 0.348 1.239 517 HG LEU 68 HG LEU 68 -16.417 -1.124 3.452 518 1HD1 LEU 68 1HD1 LEU 68 -16.725 -1.236 0.458 519 2HD1 LEU 68 2HD1 LEU 68 -17.795 -0.370 1.562 520 3HD1 LEU 68 3HD1 LEU 68 -17.675 -2.129 1.647 521 1HD2 LEU 68 1HD2 LEU 68 -14.256 -2.185 3.065 522 2HD2 LEU 68 2HD2 LEU 68 -14.586 -2.243 1.332 523 3HD2 LEU 68 3HD2 LEU 68 -15.571 -3.186 2.450 524 H GLY 69 H GLY 69 -13.630 2.639 4.222 525 1HA GLY 69 2HA GLY 69 -12.463 4.158 2.183 526 2HA GLY 69 1HA GLY 69 -12.246 4.444 3.906 527 H LEU 70 H LEU 70 -11.013 2.016 4.587 528 HA LEU 70 HA LEU 70 -8.320 2.483 3.839 529 1HB LEU 70 2HB LEU 70 -9.684 0.215 5.271 530 2HB LEU 70 1HB LEU 70 -7.959 0.226 4.967 531 HG LEU 70 HG LEU 70 -9.440 2.314 6.568 532 1HD1 LEU 70 1HD1 LEU 70 -9.429 0.176 7.720 533 2HD1 LEU 70 2HD1 LEU 70 -8.315 1.300 8.501 534 3HD1 LEU 70 3HD1 LEU 70 -7.692 0.023 7.457 535 1HD2 LEU 70 1HD2 LEU 70 -7.441 3.164 5.446 536 2HD2 LEU 70 2HD2 LEU 70 -6.491 1.850 6.138 537 3HD2 LEU 70 3HD2 LEU 70 -7.206 3.071 7.191 538 H ALA 71 H ALA 71 -10.813 0.321 2.697 539 HA ALA 71 HA ALA 71 -9.138 -1.322 1.102 540 1HB ALA 71 1HB ALA 71 -11.217 -2.046 0.024 541 2HB ALA 71 2HB ALA 71 -12.090 -0.748 0.838 542 3HB ALA 71 3HB ALA 71 -11.360 -2.049 1.781 543 H ALA 72 H ALA 72 -10.472 1.829 0.712 544 HA ALA 72 HA ALA 72 -10.628 1.990 -2.081 545 1HB ALA 72 1HB ALA 72 -10.577 4.412 -1.781 546 2HB ALA 72 2HB ALA 72 -10.065 4.194 -0.106 547 3HB ALA 72 3HB ALA 72 -11.656 3.634 -0.625 548 H MET 73 H MET 73 -7.942 3.057 0.066 549 HA MET 73 HA MET 73 -6.314 3.690 -2.202 550 1HB MET 73 2HB MET 73 -4.487 4.079 -0.614 551 2HB MET 73 1HB MET 73 -5.956 4.917 -0.145 552 1HG MET 73 2HG MET 73 -5.241 2.262 1.032 553 2HG MET 73 1HG MET 73 -4.567 3.762 1.664 554 1HE MET 73 1HE MET 73 -6.040 5.723 2.705 555 2HE MET 73 2HE MET 73 -7.801 5.670 2.803 556 3HE MET 73 3HE MET 73 -7.007 5.784 1.232 557 H VAL 74 H VAL 74 -6.749 0.851 -0.213 558 HA VAL 74 HA VAL 74 -4.443 -0.542 -1.074 559 HB VAL 74 HB VAL 74 -7.116 -1.618 -0.145 560 1HG1 VAL 74 1HG1 VAL 74 -4.505 -3.076 -0.543 561 2HG1 VAL 74 2HG1 VAL 74 -5.984 -3.306 -1.476 562 3HG1 VAL 74 3HG1 VAL 74 -5.942 -3.743 0.232 563 1HG2 VAL 74 1HG2 VAL 74 -5.917 -0.301 1.524 564 2HG2 VAL 74 2HG2 VAL 74 -4.489 -1.311 1.299 565 3HG2 VAL 74 3HG2 VAL 74 -5.966 -2.009 1.966 566 H ASP 75 H ASP 75 -7.736 -0.323 -2.367 567 HA ASP 75 HA ASP 75 -7.397 -2.124 -4.511 568 1HB ASP 75 2HB ASP 75 -9.593 -1.256 -3.676 569 2HB ASP 75 1HB ASP 75 -9.218 0.291 -4.424 570 H LYS 76 H LYS 76 -6.704 1.294 -4.134 571 HA LYS 76 HA LYS 76 -5.987 1.842 -6.812 572 1HB LYS 76 2HB LYS 76 -5.049 3.124 -4.235 573 2HB LYS 76 1HB LYS 76 -4.725 3.763 -5.841 574 1HG LYS 76 2HG LYS 76 -7.072 4.102 -6.233 575 2HG LYS 76 1HG LYS 76 -7.473 3.337 -4.695 576 1HD LYS 76 2HD LYS 76 -6.275 5.131 -3.512 577 2HD LYS 76 1HD LYS 76 -5.915 5.897 -5.062 578 1HE LYS 76 2HE LYS 76 -8.284 6.196 -5.491 579 2HE LYS 76 1HE LYS 76 -8.683 5.360 -3.993 580 1HZ LYS 76 1HZ LYS 76 -7.202 7.933 -4.196 581 2HZ LYS 76 2HZ LYS 76 -7.602 7.130 -2.750 582 3HZ LYS 76 3HZ LYS 76 -8.826 7.753 -3.740 583 H ILE 77 H ILE 77 -4.187 0.555 -4.067 584 HA ILE 77 HA ILE 77 -1.658 0.413 -5.333 585 HB ILE 77 HB ILE 77 -2.824 -1.295 -3.116 586 1HG1 ILE 77 2HG1 ILE 77 -0.933 1.076 -3.026 587 2HG1 ILE 77 1HG1 ILE 77 -2.640 1.114 -2.599 588 1HG2 ILE 77 1HG2 ILE 77 -0.504 -1.924 -2.609 589 2HG2 ILE 77 2HG2 ILE 77 0.033 -1.049 -4.046 590 3HG2 ILE 77 3HG2 ILE 77 -0.999 -2.467 -4.213 591 1HD1 ILE 77 1HD1 ILE 77 -2.234 -0.392 -0.746 592 2HD1 ILE 77 2HD1 ILE 77 -1.189 1.024 -0.633 593 3HD1 ILE 77 3HD1 ILE 77 -0.534 -0.512 -1.199 594 H VAL 78 H VAL 78 -4.400 -1.808 -5.130 595 HA VAL 78 HA VAL 78 -3.301 -3.948 -6.581 596 HB VAL 78 HB VAL 78 -6.197 -3.060 -6.480 597 1HG1 VAL 78 1HG1 VAL 78 -4.989 -5.722 -7.233 598 2HG1 VAL 78 2HG1 VAL 78 -5.802 -4.598 -8.323 599 3HG1 VAL 78 3HG1 VAL 78 -6.713 -5.397 -7.041 600 1HG2 VAL 78 1HG2 VAL 78 -4.672 -5.020 -4.766 601 2HG2 VAL 78 2HG2 VAL 78 -6.416 -4.764 -4.707 602 3HG2 VAL 78 3HG2 VAL 78 -5.316 -3.461 -4.255 603 H ALA 79 H ALA 79 -4.858 -0.960 -7.630 604 HA ALA 79 HA ALA 79 -5.074 -1.551 -10.367 605 1HB ALA 79 1HB ALA 79 -6.176 0.365 -9.348 606 2HB ALA 79 2HB ALA 79 -5.167 0.872 -10.702 607 3HB ALA 79 3HB ALA 79 -4.610 1.121 -9.047 608 H HIS 80 H HIS 80 -2.387 -0.316 -8.453 609 HA HIS 80 HA HIS 80 -0.635 0.128 -10.664 610 1HB HIS 80 2HB HIS 80 -0.446 1.066 -8.269 611 2HB HIS 80 1HB HIS 80 0.265 -0.487 -7.851 612 HD1 HIS 80 1HD HIS 80 2.575 -1.072 -9.136 613 HD2 HIS 80 2HD HIS 80 1.263 2.870 -9.386 614 HE1 HIS 80 1HE HIS 80 4.576 0.265 -9.855 615 HE2 HIS 80 2HE HIS 80 3.814 2.669 -9.802 616 H ASN 81 H ASN 81 -1.197 -2.531 -8.420 617 HA ASN 81 HA ASN 81 0.810 -4.289 -9.325 618 1HB ASN 81 2HB ASN 81 -0.588 -4.495 -7.216 619 2HB ASN 81 1HB ASN 81 -1.903 -5.076 -8.228 620 1HD2 ASN 81 1HD2 ASN 81 -0.581 -6.434 -6.063 621 2HD2 ASN 81 2HD2 ASN 81 0.102 -7.886 -6.717 622 H LEU 82 H LEU 82 -2.492 -3.709 -10.379 623 HA LEU 82 HA LEU 82 -2.867 -5.786 -12.172 624 1HB LEU 82 2HB LEU 82 -4.528 -4.044 -11.469 625 2HB LEU 82 1HB LEU 82 -3.752 -2.931 -12.572 626 HG LEU 82 HG LEU 82 -4.297 -4.497 -14.443 627 1HD1 LEU 82 1HD1 LEU 82 -6.013 -6.196 -14.050 628 2HD1 LEU 82 2HD1 LEU 82 -5.941 -5.865 -12.319 629 3HD1 LEU 82 3HD1 LEU 82 -4.537 -6.539 -13.146 630 1HD2 LEU 82 1HD2 LEU 82 -5.657 -2.532 -14.016 631 2HD2 LEU 82 2HD2 LEU 82 -6.612 -3.429 -12.835 632 3HD2 LEU 82 3HD2 LEU 82 -6.669 -3.879 -14.539 633 H SER 83 H SER 83 -1.109 -2.783 -12.553 634 HA SER 83 HA SER 83 -0.751 -3.017 -15.365 635 1HB SER 83 2HB SER 83 -0.641 -0.858 -14.150 636 2HB SER 83 1HB SER 83 0.853 -1.388 -13.379 637 HG SER 83 HG SER 83 1.909 -0.903 -15.121 638 H LYS 84 H LYS 84 1.312 -3.897 -12.563 639 HA LYS 84 HA LYS 84 3.427 -4.800 -14.248 640 1HB LYS 84 2HB LYS 84 4.342 -5.939 -12.271 641 2HB LYS 84 1HB LYS 84 3.941 -4.262 -11.943 642 1HG LYS 84 2HG LYS 84 2.282 -4.796 -10.491 643 2HG LYS 84 1HG LYS 84 1.907 -6.319 -11.301 644 1HD LYS 84 2HD LYS 84 4.452 -5.854 -9.757 645 2HD LYS 84 1HD LYS 84 2.990 -6.523 -9.028 646 1HE LYS 84 2HE LYS 84 3.031 -8.376 -10.606 647 2HE LYS 84 1HE LYS 84 4.449 -7.692 -11.396 648 1HZ LYS 84 1HZ LYS 84 4.437 -8.464 -8.532 649 2HZ LYS 84 2HZ LYS 84 5.776 -8.131 -9.521 650 3HZ LYS 84 3HZ LYS 84 4.865 -9.540 -9.768 651 H VAL 85 H VAL 85 0.474 -6.210 -13.078 652 HA VAL 85 HA VAL 85 1.050 -8.904 -13.722 653 HB VAL 85 HB VAL 85 -1.615 -7.472 -13.648 654 1HG1 VAL 85 1HG1 VAL 85 -2.621 -9.717 -13.546 655 2HG1 VAL 85 2HG1 VAL 85 -1.032 -10.431 -13.823 656 3HG1 VAL 85 3HG1 VAL 85 -1.785 -9.439 -15.073 657 1HG2 VAL 85 1HG2 VAL 85 -1.882 -8.637 -11.499 658 2HG2 VAL 85 2HG2 VAL 85 -0.503 -7.536 -11.495 659 3HG2 VAL 85 3HG2 VAL 85 -0.246 -9.274 -11.657 660 H ARG 86 H ARG 86 -0.692 -6.389 -15.555 661 HA ARG 86 HA ARG 86 -1.047 -7.914 -17.888 662 1HB ARG 86 2HB ARG 86 -1.625 -5.836 -18.974 663 2HB ARG 86 1HB ARG 86 -2.273 -5.830 -17.345 664 1HG ARG 86 2HG ARG 86 -0.430 -4.418 -16.607 665 2HG ARG 86 1HG ARG 86 0.210 -4.408 -18.251 666 1HD ARG 86 2HD ARG 86 -1.707 -3.253 -19.067 667 2HD ARG 86 1HD ARG 86 -2.554 -3.459 -17.536 668 HE ARG 86 HE ARG 86 -0.152 -2.042 -17.115 669 1HH1 ARG 86 1HH1 ARG 86 -3.295 -1.626 -18.590 670 2HH1 ARG 86 2HH1 ARG 86 -3.401 0.066 -18.204 671 1HH2 ARG 86 1HH2 ARG 86 -0.269 0.177 -16.615 672 2HH2 ARG 86 2HH2 ARG 86 -1.664 1.094 -17.098 673 H LEU 87 H LEU 87 1.677 -6.267 -16.637 674 HA LEU 87 HA LEU 87 3.120 -6.152 -19.128 675 1HB LEU 87 2HB LEU 87 3.523 -4.417 -17.529 676 2HB LEU 87 1HB LEU 87 3.888 -5.583 -16.273 677 HG LEU 87 HG LEU 87 5.902 -6.264 -17.563 678 1HD1 LEU 87 1HD1 LEU 87 6.707 -4.776 -19.338 679 2HD1 LEU 87 2HD1 LEU 87 5.187 -3.882 -19.266 680 3HD1 LEU 87 3HD1 LEU 87 5.194 -5.569 -19.777 681 1HD2 LEU 87 1HD2 LEU 87 6.078 -4.712 -15.710 682 2HD2 LEU 87 2HD2 LEU 87 5.716 -3.360 -16.783 683 3HD2 LEU 87 3HD2 LEU 87 7.212 -4.272 -16.987 684 H GLU 88 H GLU 88 3.540 -7.935 -16.044 685 HA GLU 88 HA GLU 88 5.688 -9.476 -17.177 686 1HB GLU 88 2HB GLU 88 4.308 -9.636 -14.499 687 2HB GLU 88 1HB GLU 88 5.670 -10.646 -14.961 688 1HG GLU 88 2HG GLU 88 6.948 -8.510 -15.381 689 2HG GLU 88 1HG GLU 88 5.619 -7.669 -14.585 690 H HIS 89 H HIS 89 2.263 -9.919 -16.809 691 HA HIS 89 HA HIS 89 2.443 -12.776 -17.287 692 1HB HIS 89 2HB HIS 89 0.606 -11.691 -15.909 693 2HB HIS 89 1HB HIS 89 -0.047 -11.066 -17.419 694 HD1 HIS 89 1HD HIS 89 -1.891 -12.450 -18.279 695 HD2 HIS 89 2HD HIS 89 0.896 -14.719 -16.178 696 HE1 HIS 89 1HE HIS 89 -2.779 -14.805 -18.290 697 HE2 HIS 89 2HE HIS 89 -1.201 -16.094 -16.802 698 H HIS 90 H HIS 90 3.792 -12.324 -19.192 699 HA HIS 90 HA HIS 90 2.555 -11.163 -21.509 700 1HB HIS 90 2HB HIS 90 4.670 -11.811 -22.669 701 2HB HIS 90 1HB HIS 90 4.922 -10.813 -21.245 702 HD1 HIS 90 1HD HIS 90 6.213 -13.729 -22.848 703 HD2 HIS 90 2HD HIS 90 5.630 -12.580 -18.894 704 HE1 HIS 90 1HE HIS 90 7.715 -15.211 -21.481 705 HE2 HIS 90 2HE HIS 90 7.196 -14.628 -19.083 706 H HIS 91 H HIS 91 0.925 -12.256 -22.362 707 HA HIS 91 HA HIS 91 1.496 -14.894 -23.445 708 1HB HIS 91 2HB HIS 91 0.401 -15.234 -21.213 709 2HB HIS 91 1HB HIS 91 -1.011 -14.381 -21.829 710 HD1 HIS 91 1HD HIS 91 0.587 -17.680 -21.724 711 HD2 HIS 91 2HD HIS 91 -2.339 -15.791 -24.002 712 HE1 HIS 91 1HE HIS 91 -0.644 -19.520 -22.916 713 HE2 HIS 91 2HE HIS 91 -2.246 -18.334 -24.458 714 H HIS 92 H HIS 92 1.329 -14.347 -25.525 715 HA HIS 92 HA HIS 92 -1.234 -13.812 -26.641 716 1HB HIS 92 2HB HIS 92 -0.859 -11.637 -27.609 717 2HB HIS 92 1HB HIS 92 -0.582 -11.503 -25.879 718 HD1 HIS 92 1HD HIS 92 0.843 -10.569 -29.022 719 HD2 HIS 92 2HD HIS 92 2.375 -11.637 -25.302 720 HE1 HIS 92 1HE HIS 92 3.197 -9.679 -28.973 721 HE2 HIS 92 2HE HIS 92 4.140 -10.424 -26.760 722 H HIS 93 H HIS 93 -1.105 -13.820 -29.060 723 HA HIS 93 HA HIS 93 0.647 -15.906 -29.798 724 1HB HIS 93 2HB HIS 93 -0.257 -15.730 -32.057 725 2HB HIS 93 1HB HIS 93 -1.540 -15.686 -30.860 726 HD1 HIS 93 1HD HIS 93 -3.061 -13.665 -30.853 727 HD2 HIS 93 2HD HIS 93 0.165 -13.260 -33.448 728 HE1 HIS 93 1HE HIS 93 -3.569 -11.643 -32.259 729 HE2 HIS 93 2HE HIS 93 -1.590 -11.392 -33.808 730 H HIS 94 H HIS 94 2.720 -15.691 -29.930 731 HA HIS 94 HA HIS 94 3.903 -14.063 -31.950 732 1HB HIS 94 2HB HIS 94 3.751 -12.354 -30.190 733 2HB HIS 94 1HB HIS 94 4.550 -13.433 -29.053 734 HD1 HIS 94 1HD HIS 94 5.277 -11.455 -32.212 735 HD2 HIS 94 2HD HIS 94 7.288 -13.337 -29.091 736 HE1 HIS 94 1HE HIS 94 7.699 -10.836 -32.490 737 HE2 HIS 94 2HE HIS 94 8.869 -11.846 -30.497 Start of MODEL 8 1 1H MET 1 1HT MET 1 -2.522 17.436 7.303 2 2H MET 1 2HT MET 1 -1.921 16.525 8.602 3 3H MET 1 3HT MET 1 -1.941 15.872 7.041 4 HA MET 1 HA MET 1 -0.312 17.377 6.272 5 1HB MET 1 2HB MET 1 -0.510 18.584 9.037 6 2HB MET 1 1HB MET 1 0.765 18.957 7.887 7 1HG MET 1 2HG MET 1 -0.935 19.809 6.318 8 2HG MET 1 1HG MET 1 -2.172 19.503 7.540 9 1HE MET 1 1HE MET 1 -1.798 23.429 7.483 10 2HE MET 1 2HE MET 1 -2.901 22.074 7.233 11 3HE MET 1 3HE MET 1 -1.578 22.355 6.102 12 H TYR 2 H TYR 2 0.761 15.443 6.088 13 HA TYR 2 HA TYR 2 2.177 14.495 8.468 14 1HB TYR 2 2HB TYR 2 1.637 13.189 5.807 15 2HB TYR 2 1HB TYR 2 2.709 12.494 7.017 16 HD1 TYR 2 2HD TYR 2 -0.802 13.480 6.353 17 HD2 TYR 2 1HD TYR 2 1.847 11.340 8.898 18 HE1 TYR 2 2HE TYR 2 -2.729 12.451 7.485 19 HE2 TYR 2 1HE TYR 2 -0.069 10.302 10.032 20 HH TYR 2 HH TYR 2 -3.288 10.548 8.852 21 H THR 3 H THR 3 4.146 15.171 8.779 22 HA THR 3 HA THR 3 5.532 16.557 6.628 23 HB THR 3 HB THR 3 7.060 17.286 8.514 24 HG1 THR 3 1HG THR 3 5.286 16.796 10.479 25 1HG2 THR 3 1HG2 THR 3 5.440 18.880 9.441 26 2HG2 THR 3 2HG2 THR 3 4.117 17.917 8.785 27 3HG2 THR 3 3HG2 THR 3 5.248 18.716 7.694 28 H ALA 4 H ALA 4 8.068 16.461 7.098 29 HA ALA 4 HA ALA 4 9.017 14.069 6.065 30 1HB ALA 4 1HB ALA 4 10.582 16.105 7.643 31 2HB ALA 4 2HB ALA 4 10.198 16.220 5.926 32 3HB ALA 4 3HB ALA 4 11.242 14.924 6.511 33 H GLU 5 H GLU 5 8.718 15.073 9.439 34 HA GLU 5 HA GLU 5 10.234 13.000 10.591 35 1HB GLU 5 2HB GLU 5 7.858 14.516 11.680 36 2HB GLU 5 1HB GLU 5 8.886 13.462 12.632 37 1HG GLU 5 2HG GLU 5 10.802 14.906 12.121 38 2HG GLU 5 1HG GLU 5 9.724 15.991 11.246 39 H GLN 6 H GLN 6 6.776 13.295 9.924 40 HA GLN 6 HA GLN 6 6.130 10.683 10.821 41 1HB GLN 6 2HB GLN 6 4.674 12.760 9.221 42 2HB GLN 6 1HB GLN 6 3.985 11.162 9.467 43 1HG GLN 6 2HG GLN 6 3.921 11.464 11.829 44 2HG GLN 6 1HG GLN 6 4.865 12.949 11.718 45 1HE2 GLN 6 1HE2 GLN 6 2.159 12.349 12.803 46 2HE2 GLN 6 2HE2 GLN 6 1.098 13.472 12.012 47 H LYS 7 H LYS 7 7.105 12.009 7.730 48 HA LYS 7 HA LYS 7 6.396 9.946 6.024 49 1HB LYS 7 2HB LYS 7 8.614 11.932 6.060 50 2HB LYS 7 1HB LYS 7 8.735 10.592 4.930 51 1HG LYS 7 2HG LYS 7 6.618 11.231 3.917 52 2HG LYS 7 1HG LYS 7 6.443 12.544 5.085 53 1HD LYS 7 2HD LYS 7 8.338 13.685 4.207 54 2HD LYS 7 1HD LYS 7 8.794 12.298 3.219 55 1HE LYS 7 2HE LYS 7 6.227 13.835 2.867 56 2HE LYS 7 1HE LYS 7 7.706 14.179 1.970 57 1HZ LYS 7 1HZ LYS 7 6.420 12.782 0.608 58 2HZ LYS 7 2HZ LYS 7 6.052 11.724 1.874 59 3HZ LYS 7 3HZ LYS 7 7.620 11.777 1.251 60 H ALA 8 H ALA 8 9.255 10.192 8.121 61 HA ALA 8 HA ALA 8 10.417 7.755 7.211 62 1HB ALA 8 1HB ALA 8 10.914 9.250 9.784 63 2HB ALA 8 2HB ALA 8 11.743 9.534 8.253 64 3HB ALA 8 3HB ALA 8 11.938 7.993 9.090 65 H ARG 9 H ARG 9 8.379 8.642 9.944 66 HA ARG 9 HA ARG 9 8.490 6.154 11.279 67 1HB ARG 9 2HB ARG 9 6.275 8.217 11.367 68 2HB ARG 9 1HB ARG 9 6.609 6.982 12.576 69 1HG ARG 9 2HG ARG 9 8.675 8.032 13.176 70 2HG ARG 9 1HG ARG 9 8.539 9.173 11.840 71 1HD ARG 9 2HD ARG 9 6.389 9.964 12.915 72 2HD ARG 9 1HD ARG 9 6.857 9.012 14.323 73 HE ARG 9 HE ARG 9 9.021 10.636 13.690 74 1HH1 ARG 9 1HH1 ARG 9 5.703 11.021 14.751 75 2HH1 ARG 9 2HH1 ARG 9 6.002 12.542 15.544 76 1HH2 ARG 9 1HH2 ARG 9 9.414 12.619 14.726 77 2HH2 ARG 9 2HH2 ARG 9 8.119 13.439 15.546 78 H ILE 10 H ILE 10 6.304 7.489 8.858 79 HA ILE 10 HA ILE 10 4.590 5.215 8.740 80 HB ILE 10 HB ILE 10 5.063 7.433 6.739 81 1HG1 ILE 10 2HG1 ILE 10 2.797 6.971 8.687 82 2HG1 ILE 10 1HG1 ILE 10 4.119 8.109 8.933 83 1HG2 ILE 10 1HG2 ILE 10 2.963 6.722 5.695 84 2HG2 ILE 10 2HG2 ILE 10 2.891 5.339 6.787 85 3HG2 ILE 10 3HG2 ILE 10 4.196 5.465 5.605 86 1HD1 ILE 10 1HD1 ILE 10 2.053 8.227 6.736 87 2HD1 ILE 10 2HD1 ILE 10 3.388 9.360 6.955 88 3HD1 ILE 10 3HD1 ILE 10 2.119 9.248 8.173 89 H LYS 11 H LYS 11 7.390 6.320 6.890 90 HA LYS 11 HA LYS 11 7.489 4.369 4.923 91 1HB LYS 11 2HB LYS 11 8.930 6.428 5.146 92 2HB LYS 11 1HB LYS 11 9.885 5.551 6.329 93 1HG LYS 11 2HG LYS 11 10.617 3.987 4.702 94 2HG LYS 11 1HG LYS 11 9.467 4.599 3.509 95 1HD LYS 11 2HD LYS 11 10.641 6.795 3.608 96 2HD LYS 11 1HD LYS 11 11.846 6.052 4.658 97 1HE LYS 11 2HE LYS 11 12.474 4.506 2.917 98 2HE LYS 11 1HE LYS 11 11.181 5.106 1.877 99 1HZ LYS 11 1HZ LYS 11 12.278 7.266 1.844 100 2HZ LYS 11 2HZ LYS 11 13.301 6.056 1.248 101 3HZ LYS 11 3HZ LYS 11 13.529 6.666 2.816 102 H TRP 12 H TRP 12 8.752 4.269 8.235 103 HA TRP 12 HA TRP 12 9.848 1.654 8.006 104 1HB TRP 12 2HB TRP 12 9.184 3.451 10.311 105 2HB TRP 12 1HB TRP 12 9.670 1.782 10.595 106 HD1 TRP 12 HD TRP 12 11.142 4.451 8.176 107 HE1 TRP 12 1HE TRP 12 13.679 4.585 8.593 108 HE3 TRP 12 3HE TRP 12 11.496 1.106 12.022 109 HZ2 TRP 12 2HZ TRP 12 15.572 3.429 10.338 110 HZ3 TRP 12 3HZ TRP 12 13.707 0.678 13.011 111 HH2 TRP 12 HH TRP 12 15.702 1.817 12.186 112 H ALA 13 H ALA 13 6.694 2.902 8.822 113 HA ALA 13 HA ALA 13 5.645 0.492 9.904 114 1HB ALA 13 1HB ALA 13 4.634 2.684 10.340 115 2HB ALA 13 2HB ALA 13 3.466 1.544 9.671 116 3HB ALA 13 3HB ALA 13 4.163 2.798 8.645 117 H CYS 14 H CYS 14 5.310 2.023 6.700 118 HA CYS 14 HA CYS 14 3.844 -0.132 5.576 119 1HB CYS 14 2HB CYS 14 4.370 0.963 3.390 120 2HB CYS 14 1HB CYS 14 3.636 2.036 4.575 121 HG CYS 14 HG CYS 14 6.007 3.344 5.222 122 H ARG 15 H ARG 15 7.235 0.511 5.954 123 HA ARG 15 HA ARG 15 8.291 -1.364 4.160 124 1HB ARG 15 2HB ARG 15 9.601 0.341 5.428 125 2HB ARG 15 1HB ARG 15 9.361 -0.606 6.888 126 1HG ARG 15 2HG ARG 15 10.575 -2.476 5.842 127 2HG ARG 15 1HG ARG 15 10.867 -1.462 4.427 128 1HD ARG 15 2HD ARG 15 12.039 0.159 5.871 129 2HD ARG 15 1HD ARG 15 11.796 -0.919 7.245 130 HE ARG 15 HE ARG 15 13.537 -1.424 4.927 131 1HH1 ARG 15 1HH1 ARG 15 12.440 -2.260 8.158 132 2HH1 ARG 15 2HH1 ARG 15 13.785 -3.320 8.474 133 1HH2 ARG 15 1HH2 ARG 15 15.275 -2.857 5.322 134 2HH2 ARG 15 2HH2 ARG 15 15.377 -3.683 6.855 135 H ARG 16 H ARG 16 6.913 -1.679 7.361 136 HA ARG 16 HA ARG 16 6.134 -3.448 8.549 137 1HB ARG 16 2HB ARG 16 6.334 -4.886 5.895 138 2HB ARG 16 1HB ARG 16 5.451 -5.458 7.302 139 1HG ARG 16 2HG ARG 16 4.775 -2.780 6.212 140 2HG ARG 16 1HG ARG 16 4.249 -4.207 5.323 141 1HD ARG 16 2HD ARG 16 2.495 -3.513 6.811 142 2HD ARG 16 1HD ARG 16 3.162 -5.042 7.376 143 HE ARG 16 HE ARG 16 4.495 -3.514 8.951 144 1HH1 ARG 16 1HH1 ARG 16 1.263 -2.810 7.792 145 2HH1 ARG 16 2HH1 ARG 16 0.797 -1.995 9.262 146 1HH2 ARG 16 1HH2 ARG 16 3.878 -2.419 10.868 147 2HH2 ARG 16 2HH2 ARG 16 2.268 -1.768 10.988 148 H GLY 17 H GLY 17 6.648 -6.158 8.500 149 1HA GLY 17 2HA GLY 17 9.473 -6.240 9.236 150 2HA GLY 17 1HA GLY 17 8.265 -7.461 9.608 151 H MET 18 H MET 18 7.883 -6.604 6.442 152 HA MET 18 HA MET 18 9.705 -8.711 5.511 153 1HB MET 18 2HB MET 18 7.984 -9.422 3.887 154 2HB MET 18 1HB MET 18 7.477 -9.650 5.553 155 1HG MET 18 2HG MET 18 6.168 -7.567 5.409 156 2HG MET 18 1HG MET 18 6.619 -7.434 3.710 157 1HE MET 18 1HE MET 18 3.959 -10.765 5.480 158 2HE MET 18 2HE MET 18 4.581 -9.391 6.395 159 3HE MET 18 3HE MET 18 5.684 -10.645 5.826 160 H LEU 19 H LEU 19 10.840 -8.293 3.702 161 HA LEU 19 HA LEU 19 11.230 -5.529 3.192 162 1HB LEU 19 2HB LEU 19 12.443 -8.001 1.988 163 2HB LEU 19 1HB LEU 19 12.965 -6.378 1.600 164 HG LEU 19 HG LEU 19 13.095 -7.670 4.324 165 1HD1 LEU 19 1HD1 LEU 19 14.728 -8.588 2.785 166 2HD1 LEU 19 2HD1 LEU 19 15.521 -7.576 3.992 167 3HD1 LEU 19 3HD1 LEU 19 15.266 -6.964 2.357 168 1HD2 LEU 19 1HD2 LEU 19 14.025 -4.950 3.408 169 2HD2 LEU 19 2HD2 LEU 19 14.344 -5.669 4.986 170 3HD2 LEU 19 3HD2 LEU 19 12.690 -5.282 4.513 171 H GLU 20 H GLU 20 9.467 -8.005 1.532 172 HA GLU 20 HA GLU 20 9.490 -6.933 -1.055 173 1HB GLU 20 2HB GLU 20 7.596 -8.744 0.383 174 2HB GLU 20 1HB GLU 20 7.193 -8.140 -1.219 175 1HG GLU 20 2HG GLU 20 9.623 -9.745 -0.466 176 2HG GLU 20 1HG GLU 20 8.227 -10.307 -1.383 177 H LEU 21 H LEU 21 7.527 -6.082 1.738 178 HA LEU 21 HA LEU 21 5.680 -4.537 0.187 179 1HB LEU 21 2HB LEU 21 6.186 -4.629 3.159 180 2HB LEU 21 1HB LEU 21 4.919 -3.673 2.412 181 HG LEU 21 HG LEU 21 5.153 -6.681 2.419 182 1HD1 LEU 21 1HD1 LEU 21 3.075 -4.834 3.574 183 2HD1 LEU 21 2HD1 LEU 21 4.318 -5.688 4.488 184 3HD1 LEU 21 3HD1 LEU 21 3.062 -6.596 3.645 185 1HD2 LEU 21 1HD2 LEU 21 3.125 -4.934 1.024 186 2HD2 LEU 21 2HD2 LEU 21 3.037 -6.689 1.177 187 3HD2 LEU 21 3HD2 LEU 21 4.338 -5.951 0.245 188 H ASP 22 H ASP 22 8.725 -3.943 1.755 189 HA ASP 22 HA ASP 22 8.683 -1.111 1.673 190 1HB ASP 22 2HB ASP 22 10.370 -2.246 2.978 191 2HB ASP 22 1HB ASP 22 10.976 -3.082 1.556 192 H VAL 23 H VAL 23 9.316 -3.586 -0.683 193 HA VAL 23 HA VAL 23 10.457 -1.882 -2.672 194 HB VAL 23 HB VAL 23 9.154 -4.589 -3.010 195 1HG1 VAL 23 1HG1 VAL 23 10.505 -4.762 -5.045 196 2HG1 VAL 23 2HG1 VAL 23 11.097 -3.120 -4.791 197 3HG1 VAL 23 3HG1 VAL 23 9.389 -3.399 -5.129 198 1HG2 VAL 23 1HG2 VAL 23 11.428 -5.480 -2.903 199 2HG2 VAL 23 2HG2 VAL 23 10.961 -4.682 -1.400 200 3HG2 VAL 23 3HG2 VAL 23 12.036 -3.866 -2.535 201 H VAL 24 H VAL 24 7.232 -2.582 -1.668 202 HA VAL 24 HA VAL 24 6.163 -1.621 -4.239 203 HB VAL 24 HB VAL 24 4.741 -3.275 -2.143 204 1HG1 VAL 24 1HG1 VAL 24 3.010 -3.557 -3.845 205 2HG1 VAL 24 2HG1 VAL 24 3.900 -2.493 -4.934 206 3HG1 VAL 24 3HG1 VAL 24 3.226 -1.854 -3.434 207 1HG2 VAL 24 1HG2 VAL 24 5.907 -4.077 -4.807 208 2HG2 VAL 24 2HG2 VAL 24 4.925 -5.111 -3.770 209 3HG2 VAL 24 3HG2 VAL 24 6.505 -4.555 -3.219 210 H ILE 25 H ILE 25 5.421 -1.499 -0.736 211 HA ILE 25 HA ILE 25 3.409 0.508 -1.188 212 HB ILE 25 HB ILE 25 4.473 -0.515 1.452 213 1HG1 ILE 25 2HG1 ILE 25 2.099 -1.460 -0.172 214 2HG1 ILE 25 1HG1 ILE 25 3.607 -2.345 0.039 215 1HG2 ILE 25 1HG2 ILE 25 1.895 0.881 0.742 216 2HG2 ILE 25 2HG2 ILE 25 3.245 1.586 1.630 217 3HG2 ILE 25 3HG2 ILE 25 2.320 0.260 2.337 218 1HD1 ILE 25 1HD1 ILE 25 1.872 -3.226 1.482 219 2HD1 ILE 25 2HD1 ILE 25 1.649 -1.636 2.212 220 3HD1 ILE 25 3HD1 ILE 25 3.167 -2.505 2.438 221 H MET 26 H MET 26 6.707 0.433 0.036 222 HA MET 26 HA MET 26 6.742 2.917 1.317 223 1HB MET 26 2HB MET 26 8.503 1.234 1.597 224 2HB MET 26 1HB MET 26 9.020 1.487 -0.062 225 1HG MET 26 2HG MET 26 8.996 3.749 1.888 226 2HG MET 26 1HG MET 26 10.325 2.595 1.860 227 1HE MET 26 1HE MET 26 11.756 3.085 -1.754 228 2HE MET 26 2HE MET 26 10.545 1.905 -1.252 229 3HE MET 26 3HE MET 26 11.935 2.239 -0.218 230 HA PRO 27 HA PRO 27 8.167 4.976 -2.822 231 1HB PRO 27 2HB PRO 27 7.662 3.611 -5.127 232 2HB PRO 27 1HB PRO 27 9.215 3.550 -4.286 233 1HG PRO 27 2HG PRO 27 6.948 1.599 -4.230 234 2HG PRO 27 1HG PRO 27 8.692 1.291 -4.328 235 1HD PRO 27 2HD PRO 27 7.314 1.049 -2.019 236 2HD PRO 27 1HD PRO 27 9.001 1.599 -2.062 237 H PHE 28 H PHE 28 5.408 2.837 -2.688 238 HA PHE 28 HA PHE 28 3.670 4.334 -4.336 239 1HB PHE 28 2HB PHE 28 3.201 2.002 -3.721 240 2HB PHE 28 1HB PHE 28 3.011 2.477 -2.038 241 HD1 PHE 28 2HD PHE 28 1.558 2.801 -5.413 242 HD2 PHE 28 1HD PHE 28 0.966 3.350 -1.236 243 HE1 PHE 28 2HE PHE 28 -0.832 3.211 -5.812 244 HE2 PHE 28 1HE PHE 28 -1.429 3.767 -1.630 245 HZ PHE 28 HZ PHE 28 -2.331 3.696 -3.921 246 H PHE 29 H PHE 29 4.400 4.422 -0.878 247 HA PHE 29 HA PHE 29 2.456 6.243 -0.054 248 1HB PHE 29 2HB PHE 29 3.796 5.055 1.564 249 2HB PHE 29 1HB PHE 29 5.269 5.800 0.960 250 HD1 PHE 29 2HD PHE 29 1.939 6.922 2.236 251 HD2 PHE 29 1HD PHE 29 6.164 7.434 2.270 252 HE1 PHE 29 2HE PHE 29 1.700 8.738 3.878 253 HE2 PHE 29 1HE PHE 29 5.936 9.246 3.920 254 HZ PHE 29 HZ PHE 29 3.696 9.901 4.723 255 H GLU 30 H GLU 30 5.649 6.810 -1.451 256 HA GLU 30 HA GLU 30 5.616 9.620 -1.236 257 1HB GLU 30 2HB GLU 30 7.048 7.790 -3.164 258 2HB GLU 30 1HB GLU 30 7.386 9.496 -2.965 259 1HG GLU 30 2HG GLU 30 7.503 7.613 -0.695 260 2HG GLU 30 1HG GLU 30 8.877 7.879 -1.750 261 H GLU 31 H GLU 31 4.699 7.436 -3.865 262 HA GLU 31 HA GLU 31 4.029 9.491 -5.700 263 1HB GLU 31 2HB GLU 31 3.161 6.601 -5.635 264 2HB GLU 31 1HB GLU 31 2.895 7.697 -6.984 265 1HG GLU 31 2HG GLU 31 5.367 7.985 -7.137 266 2HG GLU 31 1HG GLU 31 5.529 6.717 -5.921 267 H CYS 32 H CYS 32 1.986 7.438 -3.626 268 HA CYS 32 HA CYS 32 -0.448 8.408 -4.657 269 1HB CYS 32 2HB CYS 32 -1.515 7.312 -2.751 270 2HB CYS 32 1HB CYS 32 -0.295 6.269 -3.471 271 HG CYS 32 HG CYS 32 1.503 6.406 -1.471 272 H PHE 33 H PHE 33 1.506 9.423 -1.896 273 HA PHE 33 HA PHE 33 -0.279 11.122 -0.649 274 1HB PHE 33 2HB PHE 33 1.787 10.695 0.429 275 2HB PHE 33 1HB PHE 33 2.719 11.242 -0.957 276 HD1 PHE 33 2HD PHE 33 0.388 12.459 1.673 277 HD2 PHE 33 1HD PHE 33 3.523 13.420 -1.043 278 HE1 PHE 33 2HE PHE 33 0.570 14.695 2.680 279 HE2 PHE 33 1HE PHE 33 3.712 15.658 -0.038 280 HZ PHE 33 HZ PHE 33 2.233 16.297 1.827 281 H ASP 34 H ASP 34 1.793 11.773 -3.438 282 HA ASP 34 HA ASP 34 1.143 14.540 -3.610 283 1HB ASP 34 2HB ASP 34 3.210 13.527 -4.557 284 2HB ASP 34 1HB ASP 34 2.224 12.715 -5.768 285 H SER 35 H SER 35 -0.489 11.683 -4.547 286 HA SER 35 HA SER 35 -2.039 13.093 -6.606 287 1HB SER 35 2HB SER 35 -0.889 11.023 -7.299 288 2HB SER 35 1HB SER 35 -1.765 10.126 -6.064 289 HG SER 35 HG SER 35 -3.601 11.371 -7.452 290 H LEU 36 H LEU 36 -2.279 11.911 -3.413 291 HA LEU 36 HA LEU 36 -5.200 11.633 -3.602 292 1HB LEU 36 2HB LEU 36 -3.427 10.832 -1.297 293 2HB LEU 36 1HB LEU 36 -5.120 10.440 -1.510 294 HG LEU 36 HG LEU 36 -2.791 9.354 -3.083 295 1HD1 LEU 36 1HD1 LEU 36 -3.075 8.363 -0.894 296 2HD1 LEU 36 2HD1 LEU 36 -3.549 7.215 -2.146 297 3HD1 LEU 36 3HD1 LEU 36 -4.783 8.071 -1.222 298 1HD2 LEU 36 1HD2 LEU 36 -4.444 7.994 -4.285 299 2HD2 LEU 36 2HD2 LEU 36 -4.665 9.716 -4.595 300 3HD2 LEU 36 3HD2 LEU 36 -5.745 8.874 -3.483 301 H THR 37 H THR 37 -6.397 12.325 -1.627 302 HA THR 37 HA THR 37 -5.562 14.959 -0.735 303 HB THR 37 HB THR 37 -7.742 14.901 0.509 304 HG1 THR 37 1HG THR 37 -8.227 12.500 -0.955 305 1HG2 THR 37 1HG2 THR 37 -7.629 15.888 -1.718 306 2HG2 THR 37 2HG2 THR 37 -9.167 15.059 -1.485 307 3HG2 THR 37 3HG2 THR 37 -7.897 14.305 -2.449 308 H GLU 38 H GLU 38 -5.715 15.417 1.670 309 HA GLU 38 HA GLU 38 -4.002 13.701 3.116 310 1HB GLU 38 2HB GLU 38 -5.834 15.880 4.114 311 2HB GLU 38 1HB GLU 38 -4.554 15.133 5.052 312 1HG GLU 38 2HG GLU 38 -2.958 15.915 3.290 313 2HG GLU 38 1HG GLU 38 -4.288 16.834 2.595 314 H SER 39 H SER 39 -7.464 14.080 2.983 315 HA SER 39 HA SER 39 -8.283 12.450 5.063 316 1HB SER 39 2HB SER 39 -9.647 12.583 2.375 317 2HB SER 39 1HB SER 39 -10.384 12.429 3.970 318 HG SER 39 HG SER 39 -10.587 14.533 3.722 319 H GLU 40 H GLU 40 -7.671 11.564 1.659 320 HA GLU 40 HA GLU 40 -8.082 8.798 1.951 321 1HB GLU 40 2HB GLU 40 -6.306 10.306 0.021 322 2HB GLU 40 1HB GLU 40 -6.708 8.602 -0.123 323 1HG GLU 40 2HG GLU 40 -9.000 9.094 -0.520 324 2HG GLU 40 1HG GLU 40 -8.768 10.793 -0.108 325 H GLN 41 H GLN 41 -5.183 10.794 2.238 326 HA GLN 41 HA GLN 41 -3.277 8.842 2.588 327 1HB GLN 41 2HB GLN 41 -3.229 11.493 2.443 328 2HB GLN 41 1HB GLN 41 -3.125 11.342 4.193 329 1HG GLN 41 2HG GLN 41 -1.264 9.642 3.646 330 2HG GLN 41 1HG GLN 41 -1.213 10.474 2.098 331 1HE2 GLN 41 1HE2 GLN 41 0.837 10.365 4.124 332 2HE2 GLN 41 2HE2 GLN 41 1.138 11.994 4.611 333 H ASP 42 H ASP 42 -5.398 10.380 4.974 334 HA ASP 42 HA ASP 42 -4.221 9.331 7.289 335 1HB ASP 42 2HB ASP 42 -5.865 11.159 7.327 336 2HB ASP 42 1HB ASP 42 -7.126 10.036 6.829 337 H ASP 43 H ASP 43 -6.876 8.083 5.312 338 HA ASP 43 HA ASP 43 -7.461 5.801 6.821 339 1HB ASP 43 2HB ASP 43 -7.822 6.544 3.939 340 2HB ASP 43 1HB ASP 43 -8.174 4.903 4.461 341 H PHE 44 H PHE 44 -5.086 6.357 4.289 342 HA PHE 44 HA PHE 44 -4.155 3.682 4.098 343 1HB PHE 44 2HB PHE 44 -3.789 5.303 2.312 344 2HB PHE 44 1HB PHE 44 -2.832 6.316 3.384 345 HD1 PHE 44 2HD PHE 44 -2.876 2.779 2.178 346 HD2 PHE 44 1HD PHE 44 -0.568 6.224 3.136 347 HE1 PHE 44 2HE PHE 44 -0.836 1.612 1.451 348 HE2 PHE 44 1HE PHE 44 1.474 5.064 2.405 349 HZ PHE 44 HZ PHE 44 1.340 2.754 1.562 350 H VAL 45 H VAL 45 -3.125 6.484 6.012 351 HA VAL 45 HA VAL 45 -0.853 5.255 7.169 352 HB VAL 45 HB VAL 45 -2.572 7.496 8.256 353 1HG1 VAL 45 1HG1 VAL 45 0.192 6.599 9.072 354 2HG1 VAL 45 2HG1 VAL 45 -1.276 6.483 10.043 355 3HG1 VAL 45 3HG1 VAL 45 -0.609 8.065 9.633 356 1HG2 VAL 45 1HG2 VAL 45 0.025 7.581 6.715 357 2HG2 VAL 45 2HG2 VAL 45 -0.846 8.975 7.353 358 3HG2 VAL 45 3HG2 VAL 45 -1.566 7.994 6.075 359 H ALA 46 H ALA 46 -4.229 5.519 8.215 360 HA ALA 46 HA ALA 46 -4.018 4.306 10.713 361 1HB ALA 46 1HB ALA 46 -6.041 5.434 9.972 362 2HB ALA 46 2HB ALA 46 -6.400 3.786 10.486 363 3HB ALA 46 3HB ALA 46 -6.318 4.173 8.768 364 H LEU 47 H LEU 47 -4.311 2.889 7.514 365 HA LEU 47 HA LEU 47 -4.584 0.196 8.271 366 1HB LEU 47 2HB LEU 47 -3.406 1.503 5.825 367 2HB LEU 47 1HB LEU 47 -3.547 -0.233 5.983 368 HG LEU 47 HG LEU 47 -5.865 1.701 6.038 369 1HD1 LEU 47 1HD1 LEU 47 -4.806 1.568 3.832 370 2HD1 LEU 47 2HD1 LEU 47 -6.403 0.820 3.832 371 3HD1 LEU 47 3HD1 LEU 47 -4.957 -0.189 3.868 372 1HD2 LEU 47 1HD2 LEU 47 -6.289 -0.303 7.349 373 2HD2 LEU 47 2HD2 LEU 47 -5.782 -1.313 5.994 374 3HD2 LEU 47 3HD2 LEU 47 -7.235 -0.321 5.861 375 H LEU 48 H LEU 48 -1.702 2.106 7.490 376 HA LEU 48 HA LEU 48 0.132 -0.023 7.763 377 1HB LEU 48 2HB LEU 48 0.625 2.945 7.950 378 2HB LEU 48 1HB LEU 48 1.855 1.718 7.713 379 HG LEU 48 HG LEU 48 -0.367 2.370 5.776 380 1HD1 LEU 48 1HD1 LEU 48 2.591 2.925 5.627 381 2HD1 LEU 48 2HD1 LEU 48 1.331 4.122 5.928 382 3HD1 LEU 48 3HD1 LEU 48 1.396 3.281 4.379 383 1HD2 LEU 48 1HD2 LEU 48 0.790 0.850 4.257 384 2HD2 LEU 48 2HD2 LEU 48 0.270 0.009 5.717 385 3HD2 LEU 48 3HD2 LEU 48 1.961 0.467 5.521 386 H GLU 49 H GLU 49 -1.325 2.094 10.093 387 HA GLU 49 HA GLU 49 0.615 1.632 12.145 388 1HB GLU 49 2HB GLU 49 -2.195 2.720 12.256 389 2HB GLU 49 1HB GLU 49 -1.168 2.557 13.674 390 1HG GLU 49 2HG GLU 49 0.530 3.961 12.390 391 2HG GLU 49 1HG GLU 49 -0.800 4.341 11.299 392 H SER 50 H SER 50 -1.873 -0.218 10.810 393 HA SER 50 HA SER 50 -2.009 -1.983 13.144 394 1HB SER 50 2HB SER 50 -3.422 -2.167 10.465 395 2HB SER 50 1HB SER 50 -3.735 -3.178 11.876 396 HG SER 50 HG SER 50 -4.070 -0.355 11.763 397 H ASP 51 H ASP 51 -2.146 -4.454 12.028 398 HA ASP 51 HA ASP 51 0.387 -4.789 10.605 399 1HB ASP 51 2HB ASP 51 -0.187 -6.173 12.683 400 2HB ASP 51 1HB ASP 51 -1.402 -6.973 11.696 401 H ASP 52 H ASP 52 0.312 -6.279 8.637 402 HA ASP 52 HA ASP 52 -2.178 -5.618 7.204 403 1HB ASP 52 2HB ASP 52 0.672 -5.578 6.265 404 2HB ASP 52 1HB ASP 52 -0.673 -5.623 5.132 405 HA PRO 53 HA PRO 53 -1.694 -10.187 6.334 406 1HB PRO 53 2HB PRO 53 -3.920 -10.761 8.106 407 2HB PRO 53 1HB PRO 53 -2.295 -11.448 8.125 408 1HG PRO 53 2HG PRO 53 -3.247 -9.803 10.076 409 2HG PRO 53 1HG PRO 53 -1.529 -9.931 9.653 410 1HD PRO 53 2HD PRO 53 -3.531 -7.845 8.846 411 2HD PRO 53 1HD PRO 53 -1.839 -7.647 9.352 412 H ASP 54 H ASP 54 -4.319 -8.010 7.076 413 HA ASP 54 HA ASP 54 -6.285 -9.092 5.344 414 1HB ASP 54 2HB ASP 54 -5.959 -6.246 6.346 415 2HB ASP 54 1HB ASP 54 -7.422 -6.930 5.647 416 H LEU 55 H LEU 55 -3.955 -6.436 5.019 417 HA LEU 55 HA LEU 55 -4.700 -5.617 2.443 418 1HB LEU 55 2HB LEU 55 -3.203 -4.410 4.111 419 2HB LEU 55 1HB LEU 55 -1.912 -5.471 3.588 420 HG LEU 55 HG LEU 55 -3.377 -3.731 1.620 421 1HD1 LEU 55 1HD1 LEU 55 -1.602 -2.057 1.922 422 2HD1 LEU 55 2HD1 LEU 55 -0.981 -2.980 3.292 423 3HD1 LEU 55 3HD1 LEU 55 -2.585 -2.251 3.374 424 1HD2 LEU 55 1HD2 LEU 55 -1.282 -3.907 0.374 425 2HD2 LEU 55 2HD2 LEU 55 -1.958 -5.501 0.712 426 3HD2 LEU 55 3HD2 LEU 55 -0.595 -4.901 1.657 427 H PHE 56 H PHE 56 -2.146 -7.851 3.517 428 HA PHE 56 HA PHE 56 -1.256 -8.584 0.953 429 1HB PHE 56 2HB PHE 56 -0.091 -9.017 3.156 430 2HB PHE 56 1HB PHE 56 -1.226 -10.333 3.417 431 HD1 PHE 56 1HD PHE 56 1.042 -9.126 0.710 432 HD2 PHE 56 2HD PHE 56 -0.466 -12.436 2.920 433 HE1 PHE 56 1HE PHE 56 2.526 -10.635 -0.544 434 HE2 PHE 56 2HE PHE 56 1.006 -13.952 1.661 435 HZ PHE 56 HZ PHE 56 2.507 -13.050 -0.073 436 H ALA 57 H ALA 57 -3.935 -9.660 2.914 437 HA ALA 57 HA ALA 57 -4.548 -12.032 1.511 438 1HB ALA 57 1HB ALA 57 -6.411 -10.243 3.065 439 2HB ALA 57 2HB ALA 57 -5.439 -11.552 3.740 440 3HB ALA 57 3HB ALA 57 -6.725 -11.909 2.586 441 H TRP 58 H TRP 58 -5.742 -8.688 1.143 442 HA TRP 58 HA TRP 58 -7.547 -9.305 -0.929 443 1HB TRP 58 2HB TRP 58 -6.274 -6.741 -0.041 444 2HB TRP 58 1HB TRP 58 -7.274 -6.797 -1.490 445 HD1 TRP 58 HD TRP 58 -7.592 -7.822 2.219 446 HE1 TRP 58 1HE TRP 58 -10.007 -7.369 2.979 447 HE3 TRP 58 3HE TRP 58 -9.529 -6.212 -2.224 448 HZ2 TRP 58 2HZ TRP 58 -12.422 -6.456 1.831 449 HZ3 TRP 58 3HZ TRP 58 -11.907 -5.570 -2.310 450 HH2 TRP 58 HH TRP 58 -13.320 -5.692 -0.321 451 H VAL 59 H VAL 59 -4.124 -8.602 -0.924 452 HA VAL 59 HA VAL 59 -3.785 -8.212 -3.703 453 HB VAL 59 HB VAL 59 -1.813 -9.374 -1.722 454 1HG1 VAL 59 1HG1 VAL 59 -1.336 -8.119 -4.425 455 2HG1 VAL 59 2HG1 VAL 59 -1.185 -9.833 -4.039 456 3HG1 VAL 59 3HG1 VAL 59 -0.091 -8.663 -3.302 457 1HG2 VAL 59 1HG2 VAL 59 -2.598 -7.176 -1.038 458 2HG2 VAL 59 2HG2 VAL 59 -2.220 -6.528 -2.634 459 3HG2 VAL 59 3HG2 VAL 59 -0.922 -7.095 -1.582 460 H MET 60 H MET 60 -4.024 -11.080 -1.694 461 HA MET 60 HA MET 60 -3.383 -12.844 -3.920 462 1HB MET 60 2HB MET 60 -4.197 -13.457 -1.076 463 2HB MET 60 1HB MET 60 -3.747 -14.665 -2.272 464 1HG MET 60 2HG MET 60 -1.515 -13.676 -2.422 465 2HG MET 60 1HG MET 60 -1.969 -12.480 -1.210 466 1HE MET 60 1HE MET 60 -3.766 -14.287 0.757 467 2HE MET 60 2HE MET 60 -2.594 -13.081 1.289 468 3HE MET 60 3HE MET 60 -2.544 -14.714 1.955 469 H GLY 61 H GLY 61 -6.154 -11.520 -2.375 470 1HA GLY 61 2HA GLY 61 -8.235 -11.501 -3.604 471 2HA GLY 61 1HA GLY 61 -7.860 -13.122 -4.168 472 H HIS 62 H HIS 62 -8.005 -11.570 -0.957 473 HA HIS 62 HA HIS 62 -10.164 -13.347 -0.178 474 1HB HIS 62 2HB HIS 62 -7.523 -13.226 1.305 475 2HB HIS 62 1HB HIS 62 -8.996 -13.907 1.980 476 HD1 HIS 62 1HD HIS 62 -9.916 -16.119 0.757 477 HD2 HIS 62 2HD HIS 62 -6.061 -14.924 -0.274 478 HE1 HIS 62 1HE HIS 62 -8.846 -18.119 -0.335 479 HE2 HIS 62 2HE HIS 62 -6.599 -17.306 -1.130 480 H GLY 63 H GLY 63 -11.474 -11.597 -0.016 481 1HA GLY 63 2HA GLY 63 -10.622 -9.345 1.659 482 2HA GLY 63 1HA GLY 63 -11.998 -9.355 0.567 483 H ARG 64 H ARG 64 -13.825 -9.170 1.600 484 HA ARG 64 HA ARG 64 -15.494 -9.353 3.111 485 1HB ARG 64 2HB ARG 64 -13.924 -11.744 4.045 486 2HB ARG 64 1HB ARG 64 -15.494 -11.299 4.699 487 1HG ARG 64 2HG ARG 64 -16.446 -11.507 2.415 488 2HG ARG 64 1HG ARG 64 -14.876 -12.090 1.860 489 1HD ARG 64 2HD ARG 64 -16.323 -13.969 2.292 490 2HD ARG 64 1HD ARG 64 -15.022 -13.942 3.482 491 HE ARG 64 HE ARG 64 -17.369 -12.586 4.408 492 1HH1 ARG 64 1HH1 ARG 64 -15.908 -15.741 3.990 493 2HH1 ARG 64 2HH1 ARG 64 -16.830 -16.486 5.260 494 1HH2 ARG 64 1HH2 ARG 64 -18.579 -13.558 6.085 495 2HH2 ARG 64 2HH2 ARG 64 -18.352 -15.242 6.451 496 H CYS 65 H CYS 65 -13.013 -7.831 3.641 497 HA CYS 65 HA CYS 65 -12.675 -7.776 6.485 498 1HB CYS 65 2HB CYS 65 -11.838 -5.826 4.337 499 2HB CYS 65 1HB CYS 65 -11.419 -5.659 6.040 500 HG CYS 65 HG CYS 65 -9.597 -7.555 6.174 501 H GLU 66 H GLU 66 -13.040 -5.785 7.757 502 HA GLU 66 HA GLU 66 -15.782 -5.325 7.971 503 1HB GLU 66 2HB GLU 66 -13.519 -3.652 9.064 504 2HB GLU 66 1HB GLU 66 -15.189 -3.584 9.603 505 1HG GLU 66 2HG GLU 66 -13.396 -5.989 9.807 506 2HG GLU 66 1HG GLU 66 -13.743 -4.859 11.114 507 H ASN 67 H ASN 67 -13.265 -3.207 6.628 508 HA ASN 67 HA ASN 67 -15.402 -1.315 5.882 509 1HB ASN 67 2HB ASN 67 -13.918 -0.507 7.705 510 2HB ASN 67 1HB ASN 67 -12.541 -0.662 6.622 511 1HD2 ASN 67 1HD2 ASN 67 -15.357 1.168 7.433 512 2HD2 ASN 67 2HD2 ASN 67 -15.036 2.514 6.389 513 H LEU 68 H LEU 68 -15.705 -1.200 3.768 514 HA LEU 68 HA LEU 68 -13.763 -2.224 1.919 515 1HB LEU 68 2HB LEU 68 -16.403 -0.838 1.485 516 2HB LEU 68 1HB LEU 68 -15.410 -1.474 0.187 517 HG LEU 68 HG LEU 68 -16.741 -3.061 2.381 518 1HD1 LEU 68 1HD1 LEU 68 -17.998 -4.057 0.555 519 2HD1 LEU 68 2HD1 LEU 68 -17.144 -3.043 -0.607 520 3HD1 LEU 68 3HD1 LEU 68 -18.221 -2.307 0.580 521 1HD2 LEU 68 1HD2 LEU 68 -15.837 -5.039 1.215 522 2HD2 LEU 68 2HD2 LEU 68 -14.576 -4.033 1.924 523 3HD2 LEU 68 3HD2 LEU 68 -14.880 -3.972 0.188 524 H GLY 69 H GLY 69 -14.524 0.923 3.160 525 1HA GLY 69 2HA GLY 69 -13.400 2.523 1.128 526 2HA GLY 69 1HA GLY 69 -13.508 2.955 2.831 527 H LEU 70 H LEU 70 -11.955 1.015 3.987 528 HA LEU 70 HA LEU 70 -9.298 1.848 3.461 529 1HB LEU 70 2HB LEU 70 -10.343 -0.506 5.036 530 2HB LEU 70 1HB LEU 70 -8.672 0.021 5.027 531 HG LEU 70 HG LEU 70 -11.002 1.661 6.023 532 1HD1 LEU 70 1HD1 LEU 70 -10.540 -0.252 7.463 533 2HD1 LEU 70 2HD1 LEU 70 -10.066 1.258 8.241 534 3HD1 LEU 70 3HD1 LEU 70 -8.839 0.204 7.536 535 1HD2 LEU 70 1HD2 LEU 70 -9.178 3.019 5.117 536 2HD2 LEU 70 2HD2 LEU 70 -8.031 2.171 6.155 537 3HD2 LEU 70 3HD2 LEU 70 -9.292 3.175 6.870 538 H ALA 71 H ALA 71 -11.233 -0.921 2.526 539 HA ALA 71 HA ALA 71 -9.165 -2.474 1.387 540 1HB ALA 71 1HB ALA 71 -12.097 -2.438 0.685 541 2HB ALA 71 2HB ALA 71 -11.357 -3.389 1.973 542 3HB ALA 71 3HB ALA 71 -10.942 -3.712 0.290 543 H ALA 72 H ALA 72 -11.092 0.184 0.180 544 HA ALA 72 HA ALA 72 -10.418 -0.033 -2.550 545 1HB ALA 72 1HB ALA 72 -12.238 1.386 -1.748 546 2HB ALA 72 2HB ALA 72 -11.089 2.316 -2.709 547 3HB ALA 72 3HB ALA 72 -11.075 2.444 -0.949 548 H MET 73 H MET 73 -8.738 1.252 0.224 549 HA MET 73 HA MET 73 -6.679 2.565 -1.258 550 1HB MET 73 2HB MET 73 -6.651 1.565 1.602 551 2HB MET 73 1HB MET 73 -5.482 2.669 0.890 552 1HG MET 73 2HG MET 73 -8.411 3.197 1.318 553 2HG MET 73 1HG MET 73 -7.073 3.876 2.245 554 1HE MET 73 1HE MET 73 -8.084 6.336 1.811 555 2HE MET 73 2HE MET 73 -9.399 5.592 0.903 556 3HE MET 73 3HE MET 73 -8.494 6.937 0.205 557 H VAL 74 H VAL 74 -7.134 -0.636 0.139 558 HA VAL 74 HA VAL 74 -4.563 -1.653 -0.490 559 HB VAL 74 HB VAL 74 -7.153 -3.198 -0.256 560 1HG1 VAL 74 1HG1 VAL 74 -5.703 -5.086 0.325 561 2HG1 VAL 74 2HG1 VAL 74 -4.284 -4.078 0.044 562 3HG1 VAL 74 3HG1 VAL 74 -5.363 -4.476 -1.294 563 1HG2 VAL 74 1HG2 VAL 74 -6.500 -3.574 2.086 564 2HG2 VAL 74 2HG2 VAL 74 -6.800 -1.871 1.742 565 3HG2 VAL 74 3HG2 VAL 74 -5.144 -2.465 1.873 566 H ASP 75 H ASP 75 -7.625 -1.486 -2.213 567 HA ASP 75 HA ASP 75 -7.048 -2.948 -4.500 568 1HB ASP 75 2HB ASP 75 -9.264 -2.072 -4.118 569 2HB ASP 75 1HB ASP 75 -8.676 -0.418 -4.170 570 H LYS 76 H LYS 76 -6.216 0.373 -3.686 571 HA LYS 76 HA LYS 76 -4.985 1.008 -6.164 572 1HB LYS 76 2HB LYS 76 -4.505 2.250 -3.448 573 2HB LYS 76 1HB LYS 76 -4.106 2.960 -5.007 574 1HG LYS 76 2HG LYS 76 -6.442 3.094 -5.593 575 2HG LYS 76 1HG LYS 76 -6.891 2.280 -4.095 576 1HD LYS 76 2HD LYS 76 -5.874 4.169 -2.839 577 2HD LYS 76 1HD LYS 76 -5.613 4.994 -4.380 578 1HE LYS 76 2HE LYS 76 -8.277 4.107 -3.277 579 2HE LYS 76 1HE LYS 76 -7.660 5.758 -3.271 580 1HZ LYS 76 1HZ LYS 76 -7.838 5.913 -5.574 581 2HZ LYS 76 2HZ LYS 76 -9.257 5.111 -5.115 582 3HZ LYS 76 3HZ LYS 76 -7.968 4.238 -5.789 583 H ILE 77 H ILE 77 -3.789 -0.295 -3.111 584 HA ILE 77 HA ILE 77 -1.048 -0.379 -3.694 585 HB ILE 77 HB ILE 77 -2.664 -2.399 -2.122 586 1HG1 ILE 77 2HG1 ILE 77 -2.892 -0.104 -1.248 587 2HG1 ILE 77 1HG1 ILE 77 -2.009 -1.144 -0.136 588 1HG2 ILE 77 1HG2 ILE 77 0.303 -1.860 -2.123 589 2HG2 ILE 77 2HG2 ILE 77 -0.505 -3.302 -2.736 590 3HG2 ILE 77 3HG2 ILE 77 -0.539 -2.940 -1.011 591 1HD1 ILE 77 1HD1 ILE 77 -1.031 1.077 -0.286 592 2HD1 ILE 77 2HD1 ILE 77 -0.781 0.855 -2.018 593 3HD1 ILE 77 3HD1 ILE 77 0.086 -0.159 -0.864 594 H VAL 78 H VAL 78 -3.618 -2.746 -4.290 595 HA VAL 78 HA VAL 78 -2.018 -4.654 -5.609 596 HB VAL 78 HB VAL 78 -4.980 -4.152 -5.941 597 1HG1 VAL 78 1HG1 VAL 78 -4.093 -5.541 -7.733 598 2HG1 VAL 78 2HG1 VAL 78 -5.092 -6.501 -6.643 599 3HG1 VAL 78 3HG1 VAL 78 -3.335 -6.607 -6.550 600 1HG2 VAL 78 1HG2 VAL 78 -4.364 -4.534 -3.609 601 2HG2 VAL 78 2HG2 VAL 78 -3.537 -6.022 -4.069 602 3HG2 VAL 78 3HG2 VAL 78 -5.285 -5.891 -4.257 603 H ALA 79 H ALA 79 -3.772 -1.821 -6.756 604 HA ALA 79 HA ALA 79 -3.575 -2.318 -9.518 605 1HB ALA 79 1HB ALA 79 -5.079 -0.637 -8.585 606 2HB ALA 79 2HB ALA 79 -4.011 0.070 -9.798 607 3HB ALA 79 3HB ALA 79 -3.692 0.334 -8.084 608 H HIS 80 H HIS 80 -1.411 -0.600 -7.291 609 HA HIS 80 HA HIS 80 0.464 0.229 -9.252 610 1HB HIS 80 2HB HIS 80 0.208 1.042 -6.821 611 2HB HIS 80 1HB HIS 80 1.143 -0.380 -6.375 612 HD1 HIS 80 1HD HIS 80 3.669 -0.411 -7.115 613 HD2 HIS 80 2HD HIS 80 1.644 3.135 -7.913 614 HE1 HIS 80 1HE HIS 80 5.450 1.302 -7.565 615 HE2 HIS 80 2HE HIS 80 4.209 3.478 -7.853 616 H ASN 81 H ASN 81 0.246 -2.578 -7.134 617 HA ASN 81 HA ASN 81 2.639 -3.852 -7.953 618 1HB ASN 81 2HB ASN 81 1.705 -4.560 -5.905 619 2HB ASN 81 1HB ASN 81 0.115 -4.799 -6.612 620 1HD2 ASN 81 1HD2 ASN 81 -0.358 -6.723 -7.622 621 2HD2 ASN 81 2HD2 ASN 81 0.700 -8.089 -7.586 622 H LEU 82 H LEU 82 -0.641 -3.907 -9.170 623 HA LEU 82 HA LEU 82 -0.567 -6.153 -10.789 624 1HB LEU 82 2HB LEU 82 -2.484 -4.500 -10.206 625 2HB LEU 82 1HB LEU 82 -1.951 -3.619 -11.621 626 HG LEU 82 HG LEU 82 -2.736 -6.521 -11.771 627 1HD1 LEU 82 1HD1 LEU 82 -4.954 -5.758 -12.497 628 2HD1 LEU 82 2HD1 LEU 82 -4.506 -4.101 -12.088 629 3HD1 LEU 82 3HD1 LEU 82 -4.618 -5.324 -10.822 630 1HD2 LEU 82 1HD2 LEU 82 -1.480 -5.626 -13.667 631 2HD2 LEU 82 2HD2 LEU 82 -2.643 -4.309 -13.824 632 3HD2 LEU 82 3HD2 LEU 82 -3.149 -5.973 -14.121 633 H SER 83 H SER 83 0.699 -2.926 -11.366 634 HA SER 83 HA SER 83 1.152 -3.219 -14.130 635 1HB SER 83 2HB SER 83 2.741 -1.499 -12.209 636 2HB SER 83 1HB SER 83 2.555 -1.260 -13.946 637 HG SER 83 HG SER 83 0.123 -1.316 -13.105 638 H LYS 84 H LYS 84 3.369 -3.740 -11.349 639 HA LYS 84 HA LYS 84 5.521 -4.514 -13.049 640 1HB LYS 84 2HB LYS 84 6.729 -5.111 -11.067 641 2HB LYS 84 1HB LYS 84 5.857 -3.621 -10.752 642 1HG LYS 84 2HG LYS 84 4.129 -4.945 -9.561 643 2HG LYS 84 1HG LYS 84 5.132 -6.380 -9.789 644 1HD LYS 84 2HD LYS 84 6.960 -5.273 -8.570 645 2HD LYS 84 1HD LYS 84 5.928 -3.868 -8.316 646 1HE LYS 84 2HE LYS 84 5.790 -5.081 -6.321 647 2HE LYS 84 1HE LYS 84 4.304 -5.461 -7.185 648 1HZ LYS 84 1HZ LYS 84 5.104 -7.484 -6.362 649 2HZ LYS 84 2HZ LYS 84 6.696 -7.166 -6.824 650 3HZ LYS 84 3HZ LYS 84 5.525 -7.511 -8.003 651 H VAL 85 H VAL 85 2.798 -6.162 -11.728 652 HA VAL 85 HA VAL 85 3.868 -8.805 -12.185 653 HB VAL 85 HB VAL 85 1.031 -7.896 -11.664 654 1HG1 VAL 85 1HG1 VAL 85 0.500 -10.231 -11.241 655 2HG1 VAL 85 2HG1 VAL 85 2.144 -10.701 -11.672 656 3HG1 VAL 85 3HG1 VAL 85 1.071 -10.018 -12.895 657 1HG2 VAL 85 1HG2 VAL 85 1.398 -8.806 -9.425 658 2HG2 VAL 85 2HG2 VAL 85 2.534 -7.507 -9.792 659 3HG2 VAL 85 3HG2 VAL 85 3.065 -9.189 -9.854 660 H ARG 86 H ARG 86 1.688 -6.588 -13.882 661 HA ARG 86 HA ARG 86 1.049 -8.464 -15.942 662 1HB ARG 86 2HB ARG 86 -0.257 -6.766 -16.899 663 2HB ARG 86 1HB ARG 86 -0.355 -6.484 -15.174 664 1HG ARG 86 2HG ARG 86 1.257 -4.686 -15.354 665 2HG ARG 86 1HG ARG 86 1.417 -4.987 -17.087 666 1HD ARG 86 2HD ARG 86 -1.045 -4.563 -17.294 667 2HD ARG 86 1HD ARG 86 -1.035 -4.056 -15.605 668 HE ARG 86 HE ARG 86 0.935 -2.633 -17.045 669 1HH1 ARG 86 1HH1 ARG 86 -2.547 -2.858 -16.704 670 2HH1 ARG 86 2HH1 ARG 86 -2.823 -1.206 -17.164 671 1HH2 ARG 86 1HH2 ARG 86 0.564 -0.456 -17.620 672 2HH2 ARG 86 2HH2 ARG 86 -1.056 0.169 -17.644 673 H LEU 87 H LEU 87 3.575 -6.170 -15.428 674 HA LEU 87 HA LEU 87 4.593 -5.972 -18.045 675 1HB LEU 87 2HB LEU 87 5.228 -4.679 -15.908 676 2HB LEU 87 1HB LEU 87 6.249 -6.049 -15.525 677 HG LEU 87 HG LEU 87 6.550 -4.583 -18.123 678 1HD1 LEU 87 1HD1 LEU 87 6.684 -2.918 -16.338 679 2HD1 LEU 87 2HD1 LEU 87 8.260 -3.196 -17.078 680 3HD1 LEU 87 3HD1 LEU 87 7.887 -3.904 -15.507 681 1HD2 LEU 87 1HD2 LEU 87 8.471 -6.182 -16.432 682 2HD2 LEU 87 2HD2 LEU 87 8.855 -5.400 -17.965 683 3HD2 LEU 87 3HD2 LEU 87 7.696 -6.729 -17.919 684 H GLU 88 H GLU 88 4.824 -8.360 -15.529 685 HA GLU 88 HA GLU 88 6.819 -9.983 -16.760 686 1HB GLU 88 2HB GLU 88 5.233 -10.010 -14.328 687 2HB GLU 88 1HB GLU 88 5.473 -11.615 -15.015 688 1HG GLU 88 2HG GLU 88 7.632 -9.627 -14.369 689 2HG GLU 88 1HG GLU 88 7.224 -11.067 -13.450 690 H HIS 89 H HIS 89 6.532 -12.010 -17.752 691 HA HIS 89 HA HIS 89 3.944 -12.310 -19.063 692 1HB HIS 89 2HB HIS 89 6.698 -13.047 -19.749 693 2HB HIS 89 1HB HIS 89 5.504 -14.285 -20.130 694 HD1 HIS 89 1HD HIS 89 6.944 -12.842 -22.409 695 HD2 HIS 89 2HD HIS 89 3.312 -11.601 -20.808 696 HE1 HIS 89 1HE HIS 89 5.827 -11.490 -24.217 697 HE2 HIS 89 2HE HIS 89 3.555 -10.926 -23.291 698 H HIS 90 H HIS 90 5.025 -13.193 -16.233 699 HA HIS 90 HA HIS 90 3.959 -15.874 -16.158 700 1HB HIS 90 2HB HIS 90 4.625 -13.850 -14.008 701 2HB HIS 90 1HB HIS 90 3.859 -15.389 -13.638 702 HD1 HIS 90 1HD HIS 90 7.108 -13.983 -15.018 703 HD2 HIS 90 2HD HIS 90 5.566 -17.528 -13.463 704 HE1 HIS 90 1HE HIS 90 9.084 -15.495 -14.669 705 HE2 HIS 90 2HE HIS 90 8.151 -17.523 -13.515 706 H HIS 91 H HIS 91 1.849 -16.268 -16.446 707 HA HIS 91 HA HIS 91 -0.393 -15.949 -16.706 708 1HB HIS 91 2HB HIS 91 0.069 -13.642 -14.810 709 2HB HIS 91 1HB HIS 91 -1.501 -13.967 -15.530 710 HD1 HIS 91 1HD HIS 91 0.579 -14.810 -12.682 711 HD2 HIS 91 2HD HIS 91 -2.554 -16.590 -14.760 712 HE1 HIS 91 1HE HIS 91 -0.363 -16.551 -11.133 713 HE2 HIS 91 2HE HIS 91 -2.421 -17.404 -12.311 714 H HIS 92 H HIS 92 -1.821 -13.543 -17.140 715 HA HIS 92 HA HIS 92 -0.324 -12.385 -19.402 716 1HB HIS 92 2HB HIS 92 -3.311 -12.830 -19.163 717 2HB HIS 92 1HB HIS 92 -2.501 -12.039 -20.511 718 HD1 HIS 92 1HD HIS 92 -4.094 -15.010 -20.017 719 HD2 HIS 92 2HD HIS 92 -0.241 -14.139 -21.300 720 HE1 HIS 92 1HE HIS 92 -3.326 -17.047 -21.274 721 HE2 HIS 92 2HE HIS 92 -0.901 -16.590 -21.793 722 H HIS 93 H HIS 93 -1.023 -10.134 -19.954 723 HA HIS 93 HA HIS 93 -1.197 -8.584 -17.534 724 1HB HIS 93 2HB HIS 93 -1.011 -6.605 -18.947 725 2HB HIS 93 1HB HIS 93 0.205 -7.787 -19.400 726 HD1 HIS 93 1HD HIS 93 0.329 -8.394 -21.819 727 HD2 HIS 93 2HD HIS 93 -3.222 -6.451 -20.847 728 HE1 HIS 93 1HE HIS 93 -0.823 -7.937 -24.008 729 HE2 HIS 93 2HE HIS 93 -3.045 -6.923 -23.384 730 H HIS 94 H HIS 94 -2.911 -7.495 -16.730 731 HA HIS 94 HA HIS 94 -5.482 -7.979 -18.079 732 1HB HIS 94 2HB HIS 94 -5.077 -9.302 -15.960 733 2HB HIS 94 1HB HIS 94 -5.066 -7.772 -15.091 734 HD1 HIS 94 1HD HIS 94 -7.241 -7.212 -14.078 735 HD2 HIS 94 2HD HIS 94 -7.680 -9.558 -17.489 736 HE1 HIS 94 1HE HIS 94 -9.708 -7.650 -14.291 737 HE2 HIS 94 2HE HIS 94 -9.939 -9.185 -16.278 Start of MODEL 9 1 1H MET 1 1HT MET 1 0.006 18.886 7.587 2 2H MET 1 2HT MET 1 -0.767 17.870 6.470 3 3H MET 1 3HT MET 1 -0.914 19.554 6.330 4 HA MET 1 HA MET 1 0.620 18.678 4.701 5 1HB MET 1 2HB MET 1 1.773 20.384 6.903 6 2HB MET 1 1HB MET 1 2.655 20.044 5.421 7 1HG MET 1 2HG MET 1 1.579 22.195 5.281 8 2HG MET 1 1HG MET 1 0.863 21.082 4.120 9 1HE MET 1 1HE MET 1 -0.448 23.856 4.955 10 2HE MET 1 2HE MET 1 -2.140 23.403 5.156 11 3HE MET 1 3HE MET 1 -1.209 22.755 3.805 12 H TYR 2 H TYR 2 1.483 16.770 4.344 13 HA TYR 2 HA TYR 2 2.763 15.293 6.480 14 1HB TYR 2 2HB TYR 2 1.205 14.433 4.530 15 2HB TYR 2 1HB TYR 2 2.722 14.358 3.640 16 HD1 TYR 2 2HD TYR 2 0.900 13.062 6.571 17 HD2 TYR 2 1HD TYR 2 4.323 12.632 4.077 18 HE1 TYR 2 2HE TYR 2 1.370 10.883 7.605 19 HE2 TYR 2 1HE TYR 2 4.800 10.448 5.104 20 HH TYR 2 HH TYR 2 2.571 8.807 7.062 21 H THR 3 H THR 3 4.941 14.596 6.460 22 HA THR 3 HA THR 3 6.678 16.291 4.801 23 HB THR 3 HB THR 3 8.285 16.212 6.737 24 HG1 THR 3 1HG THR 3 7.523 15.518 8.713 25 1HG2 THR 3 1HG2 THR 3 7.121 17.955 8.013 26 2HG2 THR 3 2HG2 THR 3 5.599 17.501 7.247 27 3HG2 THR 3 3HG2 THR 3 6.904 18.183 6.276 28 H ALA 4 H ALA 4 8.817 15.491 4.403 29 HA ALA 4 HA ALA 4 8.859 12.826 3.473 30 1HB ALA 4 1HB ALA 4 10.144 14.618 2.436 31 2HB ALA 4 2HB ALA 4 11.180 13.266 2.892 32 3HB ALA 4 3HB ALA 4 11.158 14.731 3.874 33 H GLU 5 H GLU 5 9.955 14.318 6.438 34 HA GLU 5 HA GLU 5 11.595 12.272 7.413 35 1HB GLU 5 2HB GLU 5 11.278 14.592 8.354 36 2HB GLU 5 1HB GLU 5 9.763 14.036 9.041 37 1HG GLU 5 2HG GLU 5 12.053 12.351 9.704 38 2HG GLU 5 1HG GLU 5 12.175 14.008 10.288 39 H GLN 6 H GLN 6 8.114 12.741 7.553 40 HA GLN 6 HA GLN 6 7.527 10.530 9.200 41 1HB GLN 6 2HB GLN 6 5.894 12.166 7.280 42 2HB GLN 6 1HB GLN 6 5.203 10.792 8.134 43 1HG GLN 6 2HG GLN 6 5.697 11.819 10.265 44 2HG GLN 6 1HG GLN 6 6.502 13.164 9.461 45 1HE2 GLN 6 1HE2 GLN 6 5.288 14.743 8.474 46 2HE2 GLN 6 2HE2 GLN 6 3.577 14.902 8.730 47 H LYS 7 H LYS 7 8.050 10.838 5.753 48 HA LYS 7 HA LYS 7 7.077 8.380 4.856 49 1HB LYS 7 2HB LYS 7 9.379 10.096 3.959 50 2HB LYS 7 1HB LYS 7 9.048 8.557 3.182 51 1HG LYS 7 2HG LYS 7 6.904 9.300 2.455 52 2HG LYS 7 1HG LYS 7 7.030 10.774 3.417 53 1HD LYS 7 2HD LYS 7 7.475 11.168 1.019 54 2HD LYS 7 1HD LYS 7 8.854 11.566 2.041 55 1HE LYS 7 2HE LYS 7 9.604 10.402 0.052 56 2HE LYS 7 1HE LYS 7 9.879 9.404 1.477 57 1HZ LYS 7 1HZ LYS 7 8.972 8.174 -0.438 58 2HZ LYS 7 2HZ LYS 7 7.558 9.107 -0.356 59 3HZ LYS 7 3HZ LYS 7 7.983 8.083 0.934 60 H ALA 8 H ALA 8 10.128 9.210 6.424 61 HA ALA 8 HA ALA 8 11.365 6.686 6.150 62 1HB ALA 8 1HB ALA 8 12.878 7.446 7.915 63 2HB ALA 8 2HB ALA 8 11.805 8.802 8.255 64 3HB ALA 8 3HB ALA 8 12.631 8.701 6.700 65 H ARG 9 H ARG 9 9.191 8.062 8.553 66 HA ARG 9 HA ARG 9 9.418 6.018 10.477 67 1HB ARG 9 2HB ARG 9 7.004 7.746 9.899 68 2HB ARG 9 1HB ARG 9 7.303 6.842 11.377 69 1HG ARG 9 2HG ARG 9 9.320 8.222 11.764 70 2HG ARG 9 1HG ARG 9 8.899 9.175 10.340 71 1HD ARG 9 2HD ARG 9 6.717 9.694 11.421 72 2HD ARG 9 1HD ARG 9 7.290 8.874 12.873 73 HE ARG 9 HE ARG 9 8.765 11.174 11.749 74 1HH1 ARG 9 1HH1 ARG 9 7.026 9.664 14.414 75 2HH1 ARG 9 2HH1 ARG 9 7.447 10.918 15.543 76 1HH2 ARG 9 1HH2 ARG 9 9.343 12.777 13.250 77 2HH2 ARG 9 2HH2 ARG 9 8.769 12.668 14.895 78 H ILE 10 H ILE 10 7.465 6.338 7.580 79 HA ILE 10 HA ILE 10 5.933 3.963 7.974 80 HB ILE 10 HB ILE 10 6.604 5.431 5.414 81 1HG1 ILE 10 2HG1 ILE 10 4.138 5.537 7.169 82 2HG1 ILE 10 1HG1 ILE 10 5.356 6.797 7.043 83 1HG2 ILE 10 1HG2 ILE 10 4.496 3.340 5.946 84 2HG2 ILE 10 2HG2 ILE 10 5.954 3.123 4.977 85 3HG2 ILE 10 3HG2 ILE 10 4.698 4.241 4.444 86 1HD1 ILE 10 1HD1 ILE 10 3.357 7.320 5.753 87 2HD1 ILE 10 2HD1 ILE 10 3.592 5.855 4.800 88 3HD1 ILE 10 3HD1 ILE 10 4.776 7.160 4.717 89 H LYS 11 H LYS 11 8.898 4.755 6.227 90 HA LYS 11 HA LYS 11 9.376 2.310 4.982 91 1HB LYS 11 2HB LYS 11 10.600 4.381 4.488 92 2HB LYS 11 1HB LYS 11 11.378 4.302 6.062 93 1HG LYS 11 2HG LYS 11 12.477 2.212 5.406 94 2HG LYS 11 1HG LYS 11 11.708 2.320 3.818 95 1HD LYS 11 2HD LYS 11 12.828 4.459 3.425 96 2HD LYS 11 1HD LYS 11 13.608 4.340 5.004 97 1HE LYS 11 2HE LYS 11 14.752 2.308 4.292 98 2HE LYS 11 1HE LYS 11 13.952 2.396 2.722 99 1HZ LYS 11 1HZ LYS 11 15.859 4.384 3.828 100 2HZ LYS 11 2HZ LYS 11 15.043 4.537 2.352 101 3HZ LYS 11 3HZ LYS 11 16.168 3.287 2.570 102 H TRP 12 H TRP 12 10.205 3.388 8.244 103 HA TRP 12 HA TRP 12 11.703 1.071 8.938 104 1HB TRP 12 2HB TRP 12 10.416 3.278 10.524 105 2HB TRP 12 1HB TRP 12 11.163 1.903 11.328 106 HD1 TRP 12 HD TRP 12 12.459 4.043 8.340 107 HE1 TRP 12 1HE TRP 12 14.814 4.884 8.947 108 HE3 TRP 12 3HE TRP 12 12.822 2.125 13.065 109 HZ2 TRP 12 2HZ TRP 12 16.585 4.762 11.133 110 HZ3 TRP 12 3HZ TRP 12 14.880 2.537 14.350 111 HH2 TRP 12 HH TRP 12 16.722 3.829 13.401 112 H ALA 13 H ALA 13 8.338 1.702 8.714 113 HA ALA 13 HA ALA 13 7.719 -0.642 10.394 114 1HB ALA 13 1HB ALA 13 5.963 1.715 9.718 115 2HB ALA 13 2HB ALA 13 6.802 1.461 11.248 116 3HB ALA 13 3HB ALA 13 5.519 0.358 10.750 117 H CYS 14 H CYS 14 8.389 -0.440 7.426 118 HA CYS 14 HA CYS 14 6.032 -1.066 5.981 119 1HB CYS 14 2HB CYS 14 7.566 -1.880 4.224 120 2HB CYS 14 1HB CYS 14 8.041 -0.299 4.835 121 HG CYS 14 HG CYS 14 10.083 -2.496 4.276 122 H ARG 15 H ARG 15 8.176 -2.894 7.961 123 HA ARG 15 HA ARG 15 7.914 -4.882 9.006 124 1HB ARG 15 2HB ARG 15 5.343 -5.080 7.441 125 2HB ARG 15 1HB ARG 15 5.865 -6.254 8.639 126 1HG ARG 15 2HG ARG 15 5.859 -4.458 10.339 127 2HG ARG 15 1HG ARG 15 5.213 -3.358 9.119 128 1HD ARG 15 2HD ARG 15 3.273 -4.843 8.832 129 2HD ARG 15 1HD ARG 15 3.912 -5.896 10.094 130 HE ARG 15 HE ARG 15 3.405 -3.090 10.754 131 1HH1 ARG 15 1HH1 ARG 15 2.474 -6.462 11.034 132 2HH1 ARG 15 2HH1 ARG 15 1.407 -6.179 12.376 133 1HH2 ARG 15 1HH2 ARG 15 2.009 -2.730 12.521 134 2HH2 ARG 15 2HH2 ARG 15 1.152 -4.065 13.225 135 H ARG 16 H ARG 16 8.907 -6.699 8.708 136 HA ARG 16 HA ARG 16 9.835 -7.516 6.144 137 1HB ARG 16 2HB ARG 16 10.646 -9.544 7.500 138 2HB ARG 16 1HB ARG 16 11.292 -7.965 7.929 139 1HG ARG 16 2HG ARG 16 9.728 -7.811 9.784 140 2HG ARG 16 1HG ARG 16 9.032 -9.371 9.340 141 1HD ARG 16 2HD ARG 16 11.953 -9.080 9.948 142 2HD ARG 16 1HD ARG 16 10.767 -9.289 11.236 143 HE ARG 16 HE ARG 16 10.356 -11.287 9.302 144 1HH1 ARG 16 1HH1 ARG 16 12.759 -10.320 11.657 145 2HH1 ARG 16 2HH1 ARG 16 13.275 -11.948 11.992 146 1HH2 ARG 16 1HH2 ARG 16 11.028 -13.431 9.741 147 2HH2 ARG 16 2HH2 ARG 16 12.260 -13.718 10.932 148 H GLY 17 H GLY 17 7.081 -8.310 8.076 149 1HA GLY 17 2HA GLY 17 6.450 -10.818 6.896 150 2HA GLY 17 1HA GLY 17 5.331 -9.768 7.752 151 H MET 18 H MET 18 6.117 -7.571 5.800 152 HA MET 18 HA MET 18 4.324 -8.414 3.635 153 1HB MET 18 2HB MET 18 5.145 -5.692 4.652 154 2HB MET 18 1HB MET 18 4.314 -5.912 3.123 155 1HG MET 18 2HG MET 18 2.721 -5.305 4.799 156 2HG MET 18 1HG MET 18 2.443 -6.975 4.319 157 1HE MET 18 1HE MET 18 1.436 -6.923 8.117 158 2HE MET 18 2HE MET 18 0.908 -7.338 6.486 159 3HE MET 18 3HE MET 18 1.190 -5.652 6.920 160 H LEU 19 H LEU 19 6.107 -9.682 2.764 161 HA LEU 19 HA LEU 19 8.599 -8.548 2.092 162 1HB LEU 19 2HB LEU 19 7.539 -11.078 2.212 163 2HB LEU 19 1HB LEU 19 7.761 -10.846 0.488 164 HG LEU 19 HG LEU 19 9.942 -10.461 2.528 165 1HD1 LEU 19 1HD1 LEU 19 10.804 -12.616 1.764 166 2HD1 LEU 19 2HD1 LEU 19 9.373 -12.828 0.754 167 3HD1 LEU 19 3HD1 LEU 19 9.214 -12.781 2.509 168 1HD2 LEU 19 1HD2 LEU 19 10.292 -9.215 0.466 169 2HD2 LEU 19 2HD2 LEU 19 10.009 -10.677 -0.481 170 3HD2 LEU 19 3HD2 LEU 19 11.419 -10.567 0.573 171 H GLU 20 H GLU 20 5.882 -9.503 -0.040 172 HA GLU 20 HA GLU 20 7.083 -8.308 -2.335 173 1HB GLU 20 2HB GLU 20 4.309 -9.339 -1.791 174 2HB GLU 20 1HB GLU 20 4.743 -8.600 -3.324 175 1HG GLU 20 2HG GLU 20 4.914 -10.908 -3.654 176 2HG GLU 20 1HG GLU 20 6.570 -10.335 -3.496 177 H LEU 21 H LEU 21 4.907 -7.206 0.137 178 HA LEU 21 HA LEU 21 3.836 -4.982 -1.265 179 1HB LEU 21 2HB LEU 21 3.194 -6.232 1.027 180 2HB LEU 21 1HB LEU 21 4.082 -4.873 1.684 181 HG LEU 21 HG LEU 21 2.536 -3.363 0.368 182 1HD1 LEU 21 1HD1 LEU 21 0.421 -4.277 -0.375 183 2HD1 LEU 21 2HD1 LEU 21 0.917 -5.895 0.119 184 3HD1 LEU 21 3HD1 LEU 21 1.750 -5.084 -1.210 185 1HD2 LEU 21 1HD2 LEU 21 2.310 -3.697 2.773 186 2HD2 LEU 21 2HD2 LEU 21 1.320 -5.129 2.489 187 3HD2 LEU 21 3HD2 LEU 21 0.730 -3.539 2.004 188 H ASP 22 H ASP 22 6.607 -5.454 0.853 189 HA ASP 22 HA ASP 22 7.414 -2.875 1.389 190 1HB ASP 22 2HB ASP 22 8.492 -4.823 2.365 191 2HB ASP 22 1HB ASP 22 9.104 -5.311 0.792 192 H VAL 23 H VAL 23 7.880 -4.737 -1.545 193 HA VAL 23 HA VAL 23 9.792 -2.992 -2.721 194 HB VAL 23 HB VAL 23 8.014 -5.037 -4.061 195 1HG1 VAL 23 1HG1 VAL 23 9.727 -5.055 -5.817 196 2HG1 VAL 23 2HG1 VAL 23 10.581 -3.753 -4.988 197 3HG1 VAL 23 3HG1 VAL 23 8.974 -3.468 -5.655 198 1HG2 VAL 23 1HG2 VAL 23 9.355 -6.031 -2.279 199 2HG2 VAL 23 2HG2 VAL 23 10.813 -5.315 -2.967 200 3HG2 VAL 23 3HG2 VAL 23 9.930 -6.550 -3.863 201 H VAL 24 H VAL 24 6.269 -3.199 -2.847 202 HA VAL 24 HA VAL 24 6.207 -1.323 -5.074 203 HB VAL 24 HB VAL 24 3.787 -1.708 -5.150 204 1HG1 VAL 24 1HG1 VAL 24 5.459 -4.213 -5.080 205 2HG1 VAL 24 2HG1 VAL 24 5.244 -3.127 -6.453 206 3HG1 VAL 24 3HG1 VAL 24 3.878 -4.064 -5.847 207 1HG2 VAL 24 1HG2 VAL 24 4.268 -3.620 -2.863 208 2HG2 VAL 24 2HG2 VAL 24 2.761 -3.449 -3.763 209 3HG2 VAL 24 3HG2 VAL 24 3.359 -2.109 -2.783 210 H ILE 25 H ILE 25 5.642 -1.331 -1.639 211 HA ILE 25 HA ILE 25 3.833 0.795 -1.448 212 HB ILE 25 HB ILE 25 5.929 -0.144 0.508 213 1HG1 ILE 25 2HG1 ILE 25 2.920 -0.466 0.437 214 2HG1 ILE 25 1HG1 ILE 25 4.093 -1.714 0.022 215 1HG2 ILE 25 1HG2 ILE 25 4.749 1.185 2.215 216 2HG2 ILE 25 2HG2 ILE 25 3.755 1.903 0.947 217 3HG2 ILE 25 3HG2 ILE 25 5.494 2.195 0.977 218 1HD1 ILE 25 1HD1 ILE 25 4.922 -1.688 2.317 219 2HD1 ILE 25 2HD1 ILE 25 3.197 -2.046 2.252 220 3HD1 ILE 25 3HD1 ILE 25 3.747 -0.439 2.728 221 H MET 26 H MET 26 7.366 0.857 -1.650 222 HA MET 26 HA MET 26 7.754 3.453 -0.730 223 1HB MET 26 2HB MET 26 9.517 1.692 -1.079 224 2HB MET 26 1HB MET 26 9.486 2.095 -2.791 225 1HG MET 26 2HG MET 26 11.323 3.213 -1.703 226 2HG MET 26 1HG MET 26 10.133 4.395 -2.247 227 1HE MET 26 1HE MET 26 9.869 2.019 0.873 228 2HE MET 26 2HE MET 26 10.542 3.037 2.148 229 3HE MET 26 3HE MET 26 11.582 2.446 0.853 230 HA PRO 27 HA PRO 27 7.484 5.207 -5.169 231 1HB PRO 27 2HB PRO 27 6.540 3.162 -6.998 232 2HB PRO 27 1HB PRO 27 8.047 4.081 -7.050 233 1HG PRO 27 2HG PRO 27 7.939 1.406 -6.535 234 2HG PRO 27 1HG PRO 27 9.216 2.469 -5.917 235 1HD PRO 27 2HD PRO 27 6.774 1.425 -4.522 236 2HD PRO 27 1HD PRO 27 8.438 1.588 -3.915 237 H PHE 28 H PHE 28 5.082 2.709 -4.438 238 HA PHE 28 HA PHE 28 2.943 3.959 -5.821 239 1HB PHE 28 2HB PHE 28 3.043 1.851 -3.676 240 2HB PHE 28 1HB PHE 28 1.510 2.506 -4.234 241 HD1 PHE 28 1HD PHE 28 4.312 2.089 -6.556 242 HD2 PHE 28 2HD PHE 28 0.756 0.350 -5.001 243 HE1 PHE 28 1HE PHE 28 4.308 0.459 -8.398 244 HE2 PHE 28 2HE PHE 28 0.746 -1.282 -6.838 245 HZ PHE 28 HZ PHE 28 2.522 -1.234 -8.539 246 H PHE 29 H PHE 29 4.144 4.167 -2.510 247 HA PHE 29 HA PHE 29 2.073 5.633 -1.364 248 1HB PHE 29 2HB PHE 29 3.910 4.748 -0.024 249 2HB PHE 29 1HB PHE 29 5.047 5.827 -0.827 250 HD1 PHE 29 2HD PHE 29 1.960 5.869 1.247 251 HD2 PHE 29 1HD PHE 29 5.519 7.897 0.095 252 HE1 PHE 29 2HE PHE 29 1.526 7.594 2.952 253 HE2 PHE 29 1HE PHE 29 5.089 9.626 1.788 254 HZ PHE 29 HZ PHE 29 3.093 9.477 3.219 255 H GLU 30 H GLU 30 4.899 6.741 -3.166 256 HA GLU 30 HA GLU 30 4.515 9.488 -2.985 257 1HB GLU 30 2HB GLU 30 5.631 7.852 -5.264 258 2HB GLU 30 1HB GLU 30 5.864 9.568 -5.042 259 1HG GLU 30 2HG GLU 30 6.708 7.533 -3.071 260 2HG GLU 30 1HG GLU 30 7.752 8.169 -4.324 261 H GLU 31 H GLU 31 3.261 7.164 -5.333 262 HA GLU 31 HA GLU 31 1.964 9.146 -6.918 263 1HB GLU 31 2HB GLU 31 1.470 6.169 -6.868 264 2HB GLU 31 1HB GLU 31 0.998 7.285 -8.143 265 1HG GLU 31 2HG GLU 31 3.444 7.814 -8.420 266 2HG GLU 31 1HG GLU 31 3.769 6.449 -7.353 267 H CYS 32 H CYS 32 0.876 7.024 -4.291 268 HA CYS 32 HA CYS 32 -1.870 7.780 -4.628 269 1HB CYS 32 2HB CYS 32 -2.306 6.582 -2.569 270 2HB CYS 32 1HB CYS 32 -1.230 5.630 -3.581 271 HG CYS 32 HG CYS 32 0.795 7.275 -1.741 272 H PHE 33 H PHE 33 0.829 8.912 -2.708 273 HA PHE 33 HA PHE 33 -0.555 10.658 -0.998 274 1HB PHE 33 2HB PHE 33 1.703 10.171 -0.458 275 2HB PHE 33 1HB PHE 33 2.270 10.607 -2.062 276 HD1 PHE 33 2HD PHE 33 0.951 11.983 1.112 277 HD2 PHE 33 1HD PHE 33 2.959 12.802 -2.552 278 HE1 PHE 33 2HE PHE 33 1.528 14.229 1.933 279 HE2 PHE 33 1HE PHE 33 3.537 15.050 -1.735 280 HZ PHE 33 HZ PHE 33 2.821 15.767 0.509 281 H ASP 34 H ASP 34 0.648 11.008 -4.260 282 HA ASP 34 HA ASP 34 0.265 13.772 -4.563 283 1HB ASP 34 2HB ASP 34 1.588 12.470 -6.136 284 2HB ASP 34 1HB ASP 34 0.164 11.552 -6.616 285 H SER 35 H SER 35 -1.971 11.118 -4.606 286 HA SER 35 HA SER 35 -4.053 12.776 -5.817 287 1HB SER 35 2HB SER 35 -3.672 10.467 -6.681 288 2HB SER 35 1HB SER 35 -4.139 9.833 -5.103 289 HG SER 35 HG SER 35 -5.694 10.860 -7.145 290 H LEU 36 H LEU 36 -3.395 10.914 -2.861 291 HA LEU 36 HA LEU 36 -5.947 11.493 -1.689 292 1HB LEU 36 2HB LEU 36 -3.452 10.530 -0.295 293 2HB LEU 36 1HB LEU 36 -5.098 10.403 0.288 294 HG LEU 36 HG LEU 36 -3.916 8.926 -2.060 295 1HD1 LEU 36 1HD1 LEU 36 -3.160 8.082 0.084 296 2HD1 LEU 36 2HD1 LEU 36 -4.280 6.947 -0.669 297 3HD1 LEU 36 3HD1 LEU 36 -4.826 7.980 0.652 298 1HD2 LEU 36 1HD2 LEU 36 -6.700 8.808 -0.898 299 2HD2 LEU 36 2HD2 LEU 36 -6.061 7.739 -2.147 300 3HD2 LEU 36 3HD2 LEU 36 -6.258 9.462 -2.475 301 H THR 37 H THR 37 -6.455 12.992 -0.111 302 HA THR 37 HA THR 37 -4.456 15.068 0.385 303 HB THR 37 HB THR 37 -6.690 15.895 1.741 304 HG1 THR 37 1HG THR 37 -7.881 14.090 0.856 305 1HG2 THR 37 1HG2 THR 37 -6.080 16.383 -1.179 306 2HG2 THR 37 2HG2 THR 37 -5.333 17.222 0.181 307 3HG2 THR 37 3HG2 THR 37 -7.057 17.411 -0.130 308 H GLU 38 H GLU 38 -4.922 15.999 2.837 309 HA GLU 38 HA GLU 38 -3.489 14.275 4.456 310 1HB GLU 38 2HB GLU 38 -5.293 16.567 5.230 311 2HB GLU 38 1HB GLU 38 -4.183 15.769 6.336 312 1HG GLU 38 2HG GLU 38 -3.394 17.202 3.810 313 2HG GLU 38 1HG GLU 38 -3.283 17.862 5.440 314 H SER 39 H SER 39 -6.995 14.802 4.364 315 HA SER 39 HA SER 39 -7.719 13.270 6.559 316 1HB SER 39 2HB SER 39 -9.281 13.567 3.984 317 2HB SER 39 1HB SER 39 -9.927 13.245 5.590 318 HG SER 39 HG SER 39 -10.181 15.391 5.345 319 H GLU 40 H GLU 40 -7.524 12.287 3.139 320 HA GLU 40 HA GLU 40 -8.183 9.573 3.637 321 1HB GLU 40 2HB GLU 40 -6.900 10.931 1.267 322 2HB GLU 40 1HB GLU 40 -7.325 9.232 1.283 323 1HG GLU 40 2HG GLU 40 -9.061 10.356 0.154 324 2HG GLU 40 1HG GLU 40 -9.695 9.933 1.742 325 H GLN 41 H GLN 41 -5.124 11.284 3.200 326 HA GLN 41 HA GLN 41 -3.448 9.077 3.064 327 1HB GLN 41 2HB GLN 41 -3.097 11.669 2.693 328 2HB GLN 41 1HB GLN 41 -2.555 11.600 4.366 329 1HG GLN 41 2HG GLN 41 -1.118 9.661 3.592 330 2HG GLN 41 1HG GLN 41 -1.426 10.254 1.968 331 1HE2 GLN 41 1HE2 GLN 41 -1.560 13.034 2.952 332 2HE2 GLN 41 2HE2 GLN 41 0.078 13.510 3.205 333 H ASP 42 H ASP 42 -4.638 10.958 5.809 334 HA ASP 42 HA ASP 42 -3.003 9.786 7.784 335 1HB ASP 42 2HB ASP 42 -4.270 11.872 8.133 336 2HB ASP 42 1HB ASP 42 -5.775 10.964 8.080 337 H ASP 43 H ASP 43 -6.181 8.964 6.543 338 HA ASP 43 HA ASP 43 -6.815 6.824 8.239 339 1HB ASP 43 2HB ASP 43 -8.325 7.985 6.582 340 2HB ASP 43 1HB ASP 43 -7.517 7.081 5.309 341 H PHE 44 H PHE 44 -5.046 6.933 5.180 342 HA PHE 44 HA PHE 44 -4.508 4.177 4.957 343 1HB PHE 44 2HB PHE 44 -4.277 5.563 3.028 344 2HB PHE 44 1HB PHE 44 -3.141 6.627 3.844 345 HD1 PHE 44 1HD PHE 44 -3.510 3.100 2.710 346 HD2 PHE 44 2HD PHE 44 -0.884 6.349 3.507 347 HE1 PHE 44 1HE PHE 44 -1.643 1.812 1.764 348 HE2 PHE 44 2HE PHE 44 0.992 5.068 2.558 349 HZ PHE 44 HZ PHE 44 0.614 2.796 1.685 350 H VAL 45 H VAL 45 -2.539 6.838 6.285 351 HA VAL 45 HA VAL 45 -0.317 5.233 6.958 352 HB VAL 45 HB VAL 45 -1.185 7.867 8.163 353 1HG1 VAL 45 1HG1 VAL 45 1.494 6.482 8.273 354 2HG1 VAL 45 2HG1 VAL 45 0.376 6.679 9.621 355 3HG1 VAL 45 3HG1 VAL 45 1.138 8.094 8.897 356 1HG2 VAL 45 1HG2 VAL 45 0.742 7.235 5.929 357 2HG2 VAL 45 2HG2 VAL 45 0.510 8.829 6.647 358 3HG2 VAL 45 3HG2 VAL 45 -0.814 8.051 5.778 359 H ALA 46 H ALA 46 -3.195 6.180 8.787 360 HA ALA 46 HA ALA 46 -2.422 5.197 11.298 361 1HB ALA 46 1HB ALA 46 -4.769 5.228 11.866 362 2HB ALA 46 2HB ALA 46 -5.212 5.297 10.162 363 3HB ALA 46 3HB ALA 46 -4.376 6.658 10.911 364 H LEU 47 H LEU 47 -3.909 3.602 8.525 365 HA LEU 47 HA LEU 47 -4.352 1.111 9.794 366 1HB LEU 47 2HB LEU 47 -5.423 1.846 7.666 367 2HB LEU 47 1HB LEU 47 -3.883 1.624 6.857 368 HG LEU 47 HG LEU 47 -3.937 -0.776 7.416 369 1HD1 LEU 47 1HD1 LEU 47 -5.986 -1.769 8.303 370 2HD1 LEU 47 2HD1 LEU 47 -6.667 -0.158 8.533 371 3HD1 LEU 47 3HD1 LEU 47 -5.251 -0.657 9.459 372 1HD2 LEU 47 1HD2 LEU 47 -6.406 0.230 6.012 373 2HD2 LEU 47 2HD2 LEU 47 -5.748 -1.402 5.896 374 3HD2 LEU 47 3HD2 LEU 47 -4.823 -0.032 5.281 375 H LEU 48 H LEU 48 -1.581 2.511 8.160 376 HA LEU 48 HA LEU 48 -0.120 0.188 7.639 377 1HB LEU 48 2HB LEU 48 0.850 2.977 8.229 378 2HB LEU 48 1HB LEU 48 1.871 1.688 7.626 379 HG LEU 48 HG LEU 48 -0.485 2.901 6.179 380 1HD1 LEU 48 1HD1 LEU 48 2.480 3.088 5.666 381 2HD1 LEU 48 2HD1 LEU 48 1.448 4.379 6.281 382 3HD1 LEU 48 3HD1 LEU 48 1.209 3.762 4.645 383 1HD2 LEU 48 1HD2 LEU 48 0.220 1.526 4.287 384 2HD2 LEU 48 2HD2 LEU 48 -0.243 0.526 5.664 385 3HD2 LEU 48 3HD2 LEU 48 1.462 0.775 5.289 386 H GLU 49 H GLU 49 -0.442 2.018 10.625 387 HA GLU 49 HA GLU 49 1.779 0.685 11.874 388 1HB GLU 49 2HB GLU 49 -0.389 2.443 13.012 389 2HB GLU 49 1HB GLU 49 0.927 1.774 13.967 390 1HG GLU 49 2HG GLU 49 2.487 2.913 12.301 391 2HG GLU 49 1HG GLU 49 1.062 3.794 11.753 392 H SER 50 H SER 50 -1.420 -0.134 11.237 393 HA SER 50 HA SER 50 -1.549 -2.079 13.417 394 1HB SER 50 2HB SER 50 -3.558 -0.674 12.886 395 2HB SER 50 1HB SER 50 -3.618 -1.427 11.294 396 HG SER 50 HG SER 50 -5.013 -2.548 12.585 397 H ASP 51 H ASP 51 -2.720 -4.218 12.433 398 HA ASP 51 HA ASP 51 -1.012 -5.105 10.212 399 1HB ASP 51 2HB ASP 51 -0.692 -6.225 12.482 400 2HB ASP 51 1HB ASP 51 -2.305 -6.895 12.277 401 H ASP 52 H ASP 52 -2.139 -5.268 8.366 402 HA ASP 52 HA ASP 52 -4.973 -5.992 8.548 403 1HB ASP 52 2HB ASP 52 -4.172 -3.567 7.777 404 2HB ASP 52 1HB ASP 52 -4.166 -4.402 6.223 405 HA PRO 53 HA PRO 53 -3.307 -9.350 6.006 406 1HB PRO 53 2HB PRO 53 -5.505 -10.791 7.314 407 2HB PRO 53 1HB PRO 53 -3.790 -11.203 7.235 408 1HG PRO 53 2HG PRO 53 -4.963 -10.386 9.517 409 2HG PRO 53 1HG PRO 53 -3.277 -9.995 9.127 410 1HD PRO 53 2HD PRO 53 -5.724 -8.282 8.898 411 2HD PRO 53 1HD PRO 53 -4.097 -7.852 9.470 412 H ASP 54 H ASP 54 -6.482 -8.079 6.744 413 HA ASP 54 HA ASP 54 -7.879 -9.085 4.504 414 1HB ASP 54 2HB ASP 54 -8.335 -6.492 6.011 415 2HB ASP 54 1HB ASP 54 -9.481 -7.260 4.918 416 H LEU 55 H LEU 55 -5.946 -6.217 5.078 417 HA LEU 55 HA LEU 55 -6.242 -4.878 2.659 418 1HB LEU 55 2HB LEU 55 -4.920 -4.401 4.902 419 2HB LEU 55 1HB LEU 55 -3.576 -5.076 4.019 420 HG LEU 55 HG LEU 55 -5.139 -2.587 3.383 421 1HD1 LEU 55 1HD1 LEU 55 -3.490 -2.337 5.127 422 2HD1 LEU 55 2HD1 LEU 55 -2.968 -1.494 3.667 423 3HD1 LEU 55 3HD1 LEU 55 -2.253 -3.049 4.089 424 1HD2 LEU 55 1HD2 LEU 55 -4.644 -3.710 1.275 425 2HD2 LEU 55 2HD2 LEU 55 -2.951 -3.869 1.746 426 3HD2 LEU 55 3HD2 LEU 55 -3.643 -2.271 1.463 427 H PHE 56 H PHE 56 -3.834 -7.301 3.639 428 HA PHE 56 HA PHE 56 -2.640 -7.607 1.089 429 1HB PHE 56 2HB PHE 56 -1.638 -8.383 3.238 430 2HB PHE 56 1HB PHE 56 -2.834 -9.671 3.296 431 HD1 PHE 56 2HD PHE 56 -0.103 -8.306 1.182 432 HD2 PHE 56 1HD PHE 56 -2.389 -11.718 2.295 433 HE1 PHE 56 2HE PHE 56 1.386 -9.732 -0.155 434 HE2 PHE 56 1HE PHE 56 -0.897 -13.154 0.960 435 HZ PHE 56 HZ PHE 56 0.992 -12.159 -0.268 436 H ALA 57 H ALA 57 -5.417 -9.082 2.604 437 HA ALA 57 HA ALA 57 -5.888 -11.166 0.776 438 1HB ALA 57 1HB ALA 57 -6.935 -11.064 2.975 439 2HB ALA 57 2HB ALA 57 -8.140 -11.219 1.695 440 3HB ALA 57 3HB ALA 57 -7.871 -9.657 2.469 441 H TRP 58 H TRP 58 -6.988 -7.785 0.795 442 HA TRP 58 HA TRP 58 -8.659 -7.997 -1.473 443 1HB TRP 58 2HB TRP 58 -7.292 -5.689 -0.132 444 2HB TRP 58 1HB TRP 58 -8.130 -5.455 -1.662 445 HD1 TRP 58 HD TRP 58 -9.018 -7.089 1.754 446 HE1 TRP 58 1HE TRP 58 -11.426 -6.423 2.337 447 HE3 TRP 58 3HE TRP 58 -10.131 -4.302 -2.402 448 HZ2 TRP 58 2HZ TRP 58 -13.523 -4.928 1.199 449 HZ3 TRP 58 3HZ TRP 58 -12.377 -3.289 -2.567 450 HH2 TRP 58 HH TRP 58 -14.030 -3.601 -0.801 451 H VAL 59 H VAL 59 -5.227 -7.318 -1.107 452 HA VAL 59 HA VAL 59 -4.706 -6.768 -3.833 453 HB VAL 59 HB VAL 59 -2.829 -7.920 -1.758 454 1HG1 VAL 59 1HG1 VAL 59 -2.015 -8.205 -4.049 455 2HG1 VAL 59 2HG1 VAL 59 -1.041 -7.041 -3.151 456 3HG1 VAL 59 3HG1 VAL 59 -2.221 -6.477 -4.335 457 1HG2 VAL 59 1HG2 VAL 59 -2.122 -5.623 -1.376 458 2HG2 VAL 59 2HG2 VAL 59 -3.851 -5.792 -1.069 459 3HG2 VAL 59 3HG2 VAL 59 -3.290 -5.048 -2.566 460 H MET 60 H MET 60 -4.710 -9.779 -1.947 461 HA MET 60 HA MET 60 -3.946 -11.424 -4.167 462 1HB MET 60 2HB MET 60 -5.100 -12.034 -1.452 463 2HB MET 60 1HB MET 60 -4.797 -13.293 -2.642 464 1HG MET 60 2HG MET 60 -2.705 -11.408 -1.584 465 2HG MET 60 1HG MET 60 -2.999 -13.032 -0.965 466 1HE MET 60 1HE MET 60 -2.604 -15.250 -2.366 467 2HE MET 60 2HE MET 60 -2.081 -15.266 -4.050 468 3HE MET 60 3HE MET 60 -3.674 -14.640 -3.628 469 H GLY 61 H GLY 61 -6.914 -10.069 -3.073 470 1HA GLY 61 2HA GLY 61 -8.871 -9.952 -4.361 471 2HA GLY 61 1HA GLY 61 -8.291 -11.298 -5.331 472 H HIS 62 H HIS 62 -8.285 -11.468 -1.842 473 HA HIS 62 HA HIS 62 -10.791 -12.972 -1.801 474 1HB HIS 62 2HB HIS 62 -8.143 -14.144 -0.933 475 2HB HIS 62 1HB HIS 62 -9.701 -14.826 -0.499 476 HD1 HIS 62 1HD HIS 62 -11.233 -15.351 -2.824 477 HD2 HIS 62 2HD HIS 62 -7.078 -15.319 -3.088 478 HE1 HIS 62 1HE HIS 62 -10.666 -16.689 -4.882 479 HE2 HIS 62 2HE HIS 62 -8.144 -16.737 -4.967 480 H GLY 63 H GLY 63 -11.327 -10.969 -0.567 481 1HA GLY 63 2HA GLY 63 -11.300 -11.492 2.196 482 2HA GLY 63 1HA GLY 63 -10.051 -10.309 1.841 483 H ARG 64 H ARG 64 -12.155 -9.739 3.511 484 HA ARG 64 HA ARG 64 -13.601 -7.701 1.939 485 1HB ARG 64 2HB ARG 64 -14.684 -9.190 4.342 486 2HB ARG 64 1HB ARG 64 -15.528 -7.958 3.418 487 1HG ARG 64 2HG ARG 64 -15.487 -9.441 1.455 488 2HG ARG 64 1HG ARG 64 -14.714 -10.686 2.441 489 1HD ARG 64 2HD ARG 64 -16.643 -10.652 3.960 490 2HD ARG 64 1HD ARG 64 -17.419 -9.450 2.929 491 HE ARG 64 HE ARG 64 -16.901 -12.265 2.221 492 1HH1 ARG 64 1HH1 ARG 64 -18.463 -9.187 1.559 493 2HH1 ARG 64 2HH1 ARG 64 -19.587 -9.873 0.423 494 1HH2 ARG 64 1HH2 ARG 64 -18.422 -13.152 0.759 495 2HH2 ARG 64 2HH2 ARG 64 -19.588 -12.109 -0.005 496 H CYS 65 H CYS 65 -13.634 -5.674 2.834 497 HA CYS 65 HA CYS 65 -11.748 -5.267 5.012 498 1HB CYS 65 2HB CYS 65 -11.626 -3.921 2.897 499 2HB CYS 65 1HB CYS 65 -13.171 -3.195 3.325 500 HG CYS 65 HG CYS 65 -10.157 -2.783 4.884 501 H GLU 66 H GLU 66 -12.246 -4.178 6.925 502 HA GLU 66 HA GLU 66 -14.865 -4.610 7.954 503 1HB GLU 66 2HB GLU 66 -12.592 -2.958 9.075 504 2HB GLU 66 1HB GLU 66 -14.021 -3.463 9.963 505 1HG GLU 66 2HG GLU 66 -11.972 -5.318 8.774 506 2HG GLU 66 1HG GLU 66 -12.056 -4.836 10.468 507 H ASN 67 H ASN 67 -13.128 -1.817 6.728 508 HA ASN 67 HA ASN 67 -15.656 -0.343 6.574 509 1HB ASN 67 2HB ASN 67 -14.539 0.489 8.587 510 2HB ASN 67 1HB ASN 67 -13.070 0.793 7.667 511 1HD2 ASN 67 1HD2 ASN 67 -16.367 1.792 8.216 512 2HD2 ASN 67 2HD2 ASN 67 -16.200 3.370 7.526 513 H LEU 68 H LEU 68 -15.975 0.258 4.556 514 HA LEU 68 HA LEU 68 -14.043 -0.277 2.573 515 1HB LEU 68 2HB LEU 68 -16.671 1.169 2.434 516 2HB LEU 68 1HB LEU 68 -15.685 0.824 1.028 517 HG LEU 68 HG LEU 68 -17.058 -1.158 2.837 518 1HD1 LEU 68 1HD1 LEU 68 -18.462 -0.144 1.129 519 2HD1 LEU 68 2HD1 LEU 68 -18.156 -1.842 0.762 520 3HD1 LEU 68 3HD1 LEU 68 -17.287 -0.580 -0.112 521 1HD2 LEU 68 1HD2 LEU 68 -15.085 -1.694 0.617 522 2HD2 LEU 68 2HD2 LEU 68 -16.076 -2.912 1.420 523 3HD2 LEU 68 3HD2 LEU 68 -14.850 -2.031 2.333 524 H GLY 69 H GLY 69 -14.567 2.535 4.444 525 1HA GLY 69 2HA GLY 69 -13.491 4.499 2.748 526 2HA GLY 69 1HA GLY 69 -13.386 4.512 4.505 527 H LEU 70 H LEU 70 -11.900 2.285 5.009 528 HA LEU 70 HA LEU 70 -9.243 3.002 4.369 529 1HB LEU 70 2HB LEU 70 -10.497 0.510 5.504 530 2HB LEU 70 1HB LEU 70 -8.772 0.618 5.213 531 HG LEU 70 HG LEU 70 -10.207 2.609 6.958 532 1HD1 LEU 70 1HD1 LEU 70 -10.659 0.401 7.881 533 2HD1 LEU 70 2HD1 LEU 70 -9.482 1.252 8.882 534 3HD1 LEU 70 3HD1 LEU 70 -8.947 -0.012 7.773 535 1HD2 LEU 70 1HD2 LEU 70 -7.994 3.242 6.176 536 2HD2 LEU 70 2HD2 LEU 70 -7.336 1.706 6.740 537 3HD2 LEU 70 3HD2 LEU 70 -7.953 2.881 7.902 538 H ALA 71 H ALA 71 -11.478 0.598 3.088 539 HA ALA 71 HA ALA 71 -9.696 -0.658 1.309 540 1HB ALA 71 1HB ALA 71 -11.679 -1.574 0.240 541 2HB ALA 71 2HB ALA 71 -12.693 -0.408 1.094 542 3HB ALA 71 3HB ALA 71 -11.822 -1.649 1.996 543 H ALA 72 H ALA 72 -11.379 2.354 1.128 544 HA ALA 72 HA ALA 72 -11.598 2.676 -1.631 545 1HB ALA 72 1HB ALA 72 -12.692 4.143 -0.023 546 2HB ALA 72 2HB ALA 72 -11.751 5.059 -1.198 547 3HB ALA 72 3HB ALA 72 -11.126 4.816 0.433 548 H MET 73 H MET 73 -8.904 3.589 0.522 549 HA MET 73 HA MET 73 -7.325 4.494 -1.693 550 1HB MET 73 2HB MET 73 -5.454 4.598 -0.019 551 2HB MET 73 1HB MET 73 -6.862 5.573 0.355 552 1HG MET 73 2HG MET 73 -6.231 4.652 2.385 553 2HG MET 73 1HG MET 73 -7.586 3.656 1.863 554 1HE MET 73 1HE MET 73 -6.797 1.925 3.764 555 2HE MET 73 2HE MET 73 -5.394 2.923 4.146 556 3HE MET 73 3HE MET 73 -5.187 1.202 3.820 557 H VAL 74 H VAL 74 -7.725 1.476 0.006 558 HA VAL 74 HA VAL 74 -5.492 0.107 -1.042 559 HB VAL 74 HB VAL 74 -8.198 -1.016 -0.277 560 1HG1 VAL 74 1HG1 VAL 74 -7.024 -3.148 0.003 561 2HG1 VAL 74 2HG1 VAL 74 -5.543 -2.406 -0.604 562 3HG1 VAL 74 3HG1 VAL 74 -6.944 -2.572 -1.662 563 1HG2 VAL 74 1HG2 VAL 74 -7.141 -1.566 1.870 564 2HG2 VAL 74 2HG2 VAL 74 -7.166 0.173 1.576 565 3HG2 VAL 74 3HG2 VAL 74 -5.672 -0.737 1.349 566 H ASP 75 H ASP 75 -8.723 0.744 -2.254 567 HA ASP 75 HA ASP 75 -8.869 -0.954 -4.436 568 1HB ASP 75 2HB ASP 75 -10.723 0.481 -3.618 569 2HB ASP 75 1HB ASP 75 -9.886 1.896 -4.240 570 H LYS 76 H LYS 76 -7.345 2.221 -4.167 571 HA LYS 76 HA LYS 76 -6.654 2.486 -6.902 572 1HB LYS 76 2HB LYS 76 -5.116 3.721 -4.619 573 2HB LYS 76 1HB LYS 76 -5.318 4.344 -6.249 574 1HG LYS 76 2HG LYS 76 -7.413 4.189 -4.097 575 2HG LYS 76 1HG LYS 76 -6.640 5.641 -4.727 576 1HD LYS 76 2HD LYS 76 -8.418 3.773 -6.300 577 2HD LYS 76 1HD LYS 76 -8.911 5.325 -5.621 578 1HE LYS 76 2HE LYS 76 -7.205 6.438 -7.009 579 2HE LYS 76 1HE LYS 76 -6.807 4.878 -7.731 580 1HZ LYS 76 1HZ LYS 76 -9.423 6.278 -7.882 581 2HZ LYS 76 2HZ LYS 76 -9.119 4.734 -8.507 582 3HZ LYS 76 3HZ LYS 76 -8.316 6.079 -9.149 583 H ILE 77 H ILE 77 -5.032 1.105 -4.103 584 HA ILE 77 HA ILE 77 -2.541 0.607 -5.387 585 HB ILE 77 HB ILE 77 -3.716 -0.759 -2.957 586 1HG1 ILE 77 2HG1 ILE 77 -1.854 1.619 -3.135 587 2HG1 ILE 77 1HG1 ILE 77 -3.565 1.709 -2.738 588 1HG2 ILE 77 1HG2 ILE 77 -1.858 -2.008 -3.934 589 2HG2 ILE 77 2HG2 ILE 77 -1.389 -1.284 -2.396 590 3HG2 ILE 77 3HG2 ILE 77 -0.857 -0.556 -3.912 591 1HD1 ILE 77 1HD1 ILE 77 -3.140 0.351 -0.733 592 2HD1 ILE 77 2HD1 ILE 77 -2.235 1.865 -0.740 593 3HD1 ILE 77 3HD1 ILE 77 -1.420 0.349 -1.125 594 H VAL 78 H VAL 78 -5.462 -1.302 -4.830 595 HA VAL 78 HA VAL 78 -4.561 -3.768 -5.788 596 HB VAL 78 HB VAL 78 -7.340 -2.580 -5.824 597 1HG1 VAL 78 1HG1 VAL 78 -7.169 -4.331 -7.528 598 2HG1 VAL 78 2HG1 VAL 78 -8.168 -4.852 -6.171 599 3HG1 VAL 78 3HG1 VAL 78 -6.513 -5.438 -6.321 600 1HG2 VAL 78 1HG2 VAL 78 -7.689 -4.092 -3.906 601 2HG2 VAL 78 2HG2 VAL 78 -6.440 -2.885 -3.599 602 3HG2 VAL 78 3HG2 VAL 78 -5.985 -4.545 -3.983 603 H ALA 79 H ALA 79 -6.207 -1.125 -7.516 604 HA ALA 79 HA ALA 79 -6.144 -2.355 -10.059 605 1HB ALA 79 1HB ALA 79 -7.615 -0.468 -9.513 606 2HB ALA 79 2HB ALA 79 -6.629 -0.135 -10.938 607 3HB ALA 79 3HB ALA 79 -6.206 0.585 -9.385 608 H HIS 80 H HIS 80 -3.917 -0.224 -8.371 609 HA HIS 80 HA HIS 80 -2.119 0.293 -10.454 610 1HB HIS 80 2HB HIS 80 -2.325 0.908 -7.735 611 2HB HIS 80 1HB HIS 80 -0.806 0.033 -7.879 612 HD1 HIS 80 1HD HIS 80 -2.522 3.177 -9.009 613 HD2 HIS 80 2HD HIS 80 1.242 1.416 -9.145 614 HE1 HIS 80 1HE HIS 80 -0.952 4.994 -9.743 615 HE2 HIS 80 2HE HIS 80 1.346 3.969 -9.562 616 H ASN 81 H ASN 81 -2.078 -2.229 -7.953 617 HA ASN 81 HA ASN 81 0.258 -3.525 -8.894 618 1HB ASN 81 2HB ASN 81 -0.445 -3.892 -6.622 619 2HB ASN 81 1HB ASN 81 -2.011 -4.503 -7.148 620 1HD2 ASN 81 1HD2 ASN 81 -2.218 -6.615 -7.732 621 2HD2 ASN 81 2HD2 ASN 81 -0.930 -7.764 -7.616 622 H LEU 82 H LEU 82 -3.185 -4.005 -9.508 623 HA LEU 82 HA LEU 82 -3.070 -6.386 -10.950 624 1HB LEU 82 2HB LEU 82 -5.111 -5.057 -10.152 625 2HB LEU 82 1HB LEU 82 -4.919 -4.093 -11.600 626 HG LEU 82 HG LEU 82 -5.297 -7.079 -11.730 627 1HD1 LEU 82 1HD1 LEU 82 -7.178 -6.184 -10.489 628 2HD1 LEU 82 2HD1 LEU 82 -7.686 -6.625 -12.119 629 3HD1 LEU 82 3HD1 LEU 82 -7.415 -4.931 -11.709 630 1HD2 LEU 82 1HD2 LEU 82 -5.851 -4.868 -13.712 631 2HD2 LEU 82 2HD2 LEU 82 -6.096 -6.594 -13.980 632 3HD2 LEU 82 3HD2 LEU 82 -4.466 -5.962 -13.755 633 H SER 83 H SER 83 -2.622 -3.043 -12.015 634 HA SER 83 HA SER 83 -2.478 -3.645 -14.768 635 1HB SER 83 2HB SER 83 -2.943 -1.378 -13.719 636 2HB SER 83 1HB SER 83 -1.206 -1.252 -13.440 637 HG SER 83 HG SER 83 -2.082 -0.323 -15.467 638 H LYS 84 H LYS 84 0.081 -3.223 -12.303 639 HA LYS 84 HA LYS 84 2.174 -3.501 -14.209 640 1HB LYS 84 2HB LYS 84 3.679 -3.735 -12.264 641 2HB LYS 84 1HB LYS 84 2.632 -2.333 -12.162 642 1HG LYS 84 2HG LYS 84 2.542 -3.111 -10.021 643 2HG LYS 84 1HG LYS 84 1.136 -3.912 -10.718 644 1HD LYS 84 2HD LYS 84 2.413 -5.475 -9.364 645 2HD LYS 84 1HD LYS 84 2.487 -5.941 -11.063 646 1HE LYS 84 2HE LYS 84 4.699 -4.988 -11.266 647 2HE LYS 84 1HE LYS 84 4.618 -4.372 -9.617 648 1HZ LYS 84 1HZ LYS 84 4.536 -7.251 -10.349 649 2HZ LYS 84 2HZ LYS 84 4.570 -6.614 -8.780 650 3HZ LYS 84 3HZ LYS 84 5.913 -6.430 -9.801 651 H VAL 85 H VAL 85 0.209 -5.758 -12.511 652 HA VAL 85 HA VAL 85 1.931 -8.011 -12.995 653 HB VAL 85 HB VAL 85 -0.970 -7.885 -12.156 654 1HG1 VAL 85 1HG1 VAL 85 -0.745 -10.276 -11.610 655 2HG1 VAL 85 2HG1 VAL 85 0.859 -10.281 -12.341 656 3HG1 VAL 85 3HG1 VAL 85 -0.562 -9.979 -13.338 657 1HG2 VAL 85 1HG2 VAL 85 -0.081 -8.606 -9.977 658 2HG2 VAL 85 2HG2 VAL 85 0.567 -7.043 -10.478 659 3HG2 VAL 85 3HG2 VAL 85 1.555 -8.496 -10.624 660 H ARG 86 H ARG 86 -0.906 -6.582 -14.562 661 HA ARG 86 HA ARG 86 -1.175 -8.692 -16.470 662 1HB ARG 86 2HB ARG 86 -2.845 -7.320 -17.525 663 2HB ARG 86 1HB ARG 86 -3.040 -7.211 -15.785 664 1HG ARG 86 2HG ARG 86 -1.886 -5.049 -15.801 665 2HG ARG 86 1HG ARG 86 -1.760 -5.149 -17.559 666 1HD ARG 86 2HD ARG 86 -4.169 -5.159 -17.766 667 2HD ARG 86 1HD ARG 86 -4.347 -5.196 -16.012 668 HE ARG 86 HE ARG 86 -2.851 -2.931 -16.673 669 1HH1 ARG 86 1HH1 ARG 86 -6.103 -4.180 -17.114 670 2HH1 ARG 86 2HH1 ARG 86 -6.824 -2.596 -17.183 671 1HH2 ARG 86 1HH2 ARG 86 -3.829 -0.856 -16.753 672 2HH2 ARG 86 2HH2 ARG 86 -5.551 -0.735 -16.973 673 H LEU 87 H LEU 87 0.677 -5.769 -16.309 674 HA LEU 87 HA LEU 87 1.354 -5.622 -19.062 675 1HB LEU 87 2HB LEU 87 2.724 -4.588 -16.587 676 2HB LEU 87 1HB LEU 87 3.302 -4.267 -18.205 677 HG LEU 87 HG LEU 87 0.624 -3.415 -17.103 678 1HD1 LEU 87 1HD1 LEU 87 2.461 -2.166 -16.127 679 2HD1 LEU 87 2HD1 LEU 87 1.549 -1.155 -17.249 680 3HD1 LEU 87 3HD1 LEU 87 3.105 -1.828 -17.733 681 1HD2 LEU 87 1HD2 LEU 87 0.388 -2.161 -19.179 682 2HD2 LEU 87 2HD2 LEU 87 0.542 -3.887 -19.506 683 3HD2 LEU 87 3HD2 LEU 87 1.919 -2.816 -19.762 684 H GLU 88 H GLU 88 2.842 -7.136 -16.259 685 HA GLU 88 HA GLU 88 4.529 -8.593 -15.962 686 1HB GLU 88 2HB GLU 88 3.574 -9.516 -18.662 687 2HB GLU 88 1HB GLU 88 4.843 -10.343 -17.773 688 1HG GLU 88 2HG GLU 88 3.158 -10.478 -15.857 689 2HG GLU 88 1HG GLU 88 1.950 -10.045 -17.063 690 H HIS 89 H HIS 89 6.104 -6.912 -15.930 691 HA HIS 89 HA HIS 89 7.844 -6.744 -18.251 692 1HB HIS 89 2HB HIS 89 7.645 -5.362 -15.648 693 2HB HIS 89 1HB HIS 89 9.284 -5.609 -16.238 694 HD1 HIS 89 1HD HIS 89 10.057 -4.215 -18.210 695 HD2 HIS 89 2HD HIS 89 6.041 -3.655 -17.276 696 HE1 HIS 89 1HE HIS 89 9.332 -2.187 -19.514 697 HE2 HIS 89 2HE HIS 89 6.866 -1.959 -19.054 698 H HIS 90 H HIS 90 7.648 -8.326 -15.159 699 HA HIS 90 HA HIS 90 9.618 -10.266 -16.116 700 1HB HIS 90 2HB HIS 90 9.627 -8.879 -13.451 701 2HB HIS 90 1HB HIS 90 10.200 -10.538 -13.567 702 HD1 HIS 90 1HD HIS 90 11.909 -7.911 -12.886 703 HD2 HIS 90 2HD HIS 90 11.832 -10.002 -16.484 704 HE1 HIS 90 1HE HIS 90 14.100 -7.400 -14.022 705 HE2 HIS 90 2HE HIS 90 14.098 -8.803 -16.118 706 H HIS 91 H HIS 91 7.933 -10.049 -13.027 707 HA HIS 91 HA HIS 91 6.352 -11.314 -12.027 708 1HB HIS 91 2HB HIS 91 4.930 -10.227 -13.699 709 2HB HIS 91 1HB HIS 91 5.276 -11.514 -14.846 710 HD1 HIS 91 1HD HIS 91 3.321 -12.982 -15.066 711 HD2 HIS 91 2HD HIS 91 3.811 -11.654 -11.148 712 HE1 HIS 91 1HE HIS 91 1.457 -14.045 -13.741 713 HE2 HIS 91 2HE HIS 91 1.806 -13.285 -11.363 714 H HIS 92 H HIS 92 7.952 -12.903 -11.512 715 HA HIS 92 HA HIS 92 7.349 -15.459 -12.846 716 1HB HIS 92 2HB HIS 92 9.714 -16.163 -12.087 717 2HB HIS 92 1HB HIS 92 9.568 -15.142 -13.509 718 HD1 HIS 92 1HD HIS 92 10.156 -14.608 -9.764 719 HD2 HIS 92 2HD HIS 92 11.293 -13.075 -13.456 720 HE1 HIS 92 1HE HIS 92 11.880 -12.846 -9.263 721 HE2 HIS 92 2HE HIS 92 12.579 -11.947 -11.515 722 H HIS 93 H HIS 93 5.824 -16.078 -11.441 723 HA HIS 93 HA HIS 93 4.673 -16.555 -9.589 724 1HB HIS 93 2HB HIS 93 5.707 -18.057 -7.931 725 2HB HIS 93 1HB HIS 93 5.970 -18.560 -9.588 726 HD1 HIS 93 1HD HIS 93 7.764 -17.445 -6.515 727 HD2 HIS 93 2HD HIS 93 8.651 -18.593 -10.407 728 HE1 HIS 93 1HE HIS 93 10.253 -17.780 -6.569 729 HE2 HIS 93 2HE HIS 93 10.747 -18.629 -8.891 730 H HIS 94 H HIS 94 7.746 -15.189 -8.392 731 HA HIS 94 HA HIS 94 6.127 -13.297 -6.835 732 1HB HIS 94 2HB HIS 94 8.521 -14.870 -5.895 733 2HB HIS 94 1HB HIS 94 8.143 -13.303 -5.193 734 HD1 HIS 94 1HD HIS 94 6.778 -13.454 -3.131 735 HD2 HIS 94 2HD HIS 94 6.079 -16.659 -5.700 736 HE1 HIS 94 1HE HIS 94 5.154 -14.954 -1.931 737 HE2 HIS 94 2HE HIS 94 4.869 -16.960 -3.434 Start of MODEL 10 1 1H MET 1 1HT MET 1 -0.846 16.319 8.457 2 2H MET 1 2HT MET 1 -0.939 17.885 9.102 3 3H MET 1 3HT MET 1 -0.322 16.615 10.046 4 HA MET 1 HA MET 1 0.918 17.656 7.565 5 1HB MET 1 2HB MET 1 1.033 19.259 9.436 6 2HB MET 1 1HB MET 1 1.723 18.008 10.461 7 1HG MET 1 2HG MET 1 3.640 17.863 8.880 8 2HG MET 1 1HG MET 1 2.969 19.247 8.019 9 1HE MET 1 1HE MET 1 1.786 20.916 10.549 10 2HE MET 1 2HE MET 1 2.611 21.651 9.175 11 3HE MET 1 3HE MET 1 3.130 22.025 10.819 12 H TYR 2 H TYR 2 2.168 16.161 6.630 13 HA TYR 2 HA TYR 2 3.406 14.118 8.359 14 1HB TYR 2 2HB TYR 2 2.401 13.764 5.537 15 2HB TYR 2 1HB TYR 2 3.273 12.547 6.455 16 HD1 TYR 2 1HD TYR 2 2.215 11.649 8.573 17 HD2 TYR 2 2HD TYR 2 0.066 13.990 5.746 18 HE1 TYR 2 1HE TYR 2 0.098 10.809 9.497 19 HE2 TYR 2 2HE TYR 2 -2.056 13.160 6.667 20 HH TYR 2 HH TYR 2 -2.863 11.180 7.921 21 H THR 3 H THR 3 5.417 14.839 8.560 22 HA THR 3 HA THR 3 6.913 15.573 6.138 23 HB THR 3 HB THR 3 8.629 16.444 7.733 24 HG1 THR 3 1HG THR 3 8.440 15.882 9.748 25 1HG2 THR 3 1HG2 THR 3 7.366 18.425 8.421 26 2HG2 THR 3 2HG2 THR 3 5.854 17.578 8.100 27 3HG2 THR 3 3HG2 THR 3 6.956 17.952 6.774 28 H ALA 4 H ALA 4 9.506 14.993 7.172 29 HA ALA 4 HA ALA 4 9.756 12.325 6.327 30 1HB ALA 4 1HB ALA 4 11.555 13.962 6.119 31 2HB ALA 4 2HB ALA 4 12.097 12.516 6.971 32 3HB ALA 4 3HB ALA 4 11.738 13.988 7.873 33 H GLU 5 H GLU 5 9.585 13.750 9.545 34 HA GLU 5 HA GLU 5 10.314 11.527 11.066 35 1HB GLU 5 2HB GLU 5 8.263 13.605 11.822 36 2HB GLU 5 1HB GLU 5 9.202 12.598 12.913 37 1HG GLU 5 2HG GLU 5 10.434 14.480 13.048 38 2HG GLU 5 1HG GLU 5 11.215 13.760 11.646 39 H GLN 6 H GLN 6 7.165 12.520 9.809 40 HA GLN 6 HA GLN 6 5.716 10.367 10.968 41 1HB GLN 6 2HB GLN 6 5.098 12.261 8.710 42 2HB GLN 6 1HB GLN 6 3.998 10.974 9.164 43 1HG GLN 6 2HG GLN 6 3.193 12.894 10.225 44 2HG GLN 6 1HG GLN 6 4.002 11.972 11.489 45 1HE2 GLN 6 1HE2 GLN 6 5.825 12.794 12.449 46 2HE2 GLN 6 2HE2 GLN 6 6.374 14.422 12.184 47 H LYS 7 H LYS 7 7.363 10.858 7.898 48 HA LYS 7 HA LYS 7 6.457 8.572 6.549 49 1HB LYS 7 2HB LYS 7 9.080 10.057 6.361 50 2HB LYS 7 1HB LYS 7 8.625 8.760 5.267 51 1HG LYS 7 2HG LYS 7 7.152 11.364 5.623 52 2HG LYS 7 1HG LYS 7 8.224 10.952 4.284 53 1HD LYS 7 2HD LYS 7 6.689 9.009 3.804 54 2HD LYS 7 1HD LYS 7 5.574 9.705 4.982 55 1HE LYS 7 2HE LYS 7 4.908 10.404 2.782 56 2HE LYS 7 1HE LYS 7 5.556 11.798 3.647 57 1HZ LYS 7 1HZ LYS 7 7.663 11.466 2.483 58 2HZ LYS 7 2HZ LYS 7 6.395 11.732 1.397 59 3HZ LYS 7 3HZ LYS 7 6.998 10.162 1.621 60 H ALA 8 H ALA 8 9.019 9.010 8.913 61 HA ALA 8 HA ALA 8 10.211 6.461 8.656 62 1HB ALA 8 1HB ALA 8 11.180 6.900 10.859 63 2HB ALA 8 2HB ALA 8 10.092 8.272 11.071 64 3HB ALA 8 3HB ALA 8 11.318 8.306 9.803 65 H ARG 9 H ARG 9 7.485 7.628 10.583 66 HA ARG 9 HA ARG 9 7.077 5.257 12.062 67 1HB ARG 9 2HB ARG 9 5.150 7.416 11.189 68 2HB ARG 9 1HB ARG 9 4.694 6.085 12.240 69 1HG ARG 9 2HG ARG 9 6.376 6.822 13.872 70 2HG ARG 9 1HG ARG 9 6.758 8.194 12.827 71 1HD ARG 9 2HD ARG 9 4.524 9.052 13.049 72 2HD ARG 9 1HD ARG 9 4.015 7.614 13.929 73 HE ARG 9 HE ARG 9 6.130 9.236 15.112 74 1HH1 ARG 9 1HH1 ARG 9 2.769 8.274 15.048 75 2HH1 ARG 9 2HH1 ARG 9 2.430 8.879 16.644 76 1HH2 ARG 9 1HH2 ARG 9 5.705 10.046 17.212 77 2HH2 ARG 9 2HH2 ARG 9 4.099 9.893 17.875 78 H ILE 10 H ILE 10 6.074 6.288 8.869 79 HA ILE 10 HA ILE 10 4.287 4.129 8.388 80 HB ILE 10 HB ILE 10 5.723 5.878 6.383 81 1HG1 ILE 10 2HG1 ILE 10 2.945 6.159 7.554 82 2HG1 ILE 10 1HG1 ILE 10 4.338 7.114 8.052 83 1HG2 ILE 10 1HG2 ILE 10 4.848 3.836 5.378 84 2HG2 ILE 10 2HG2 ILE 10 3.916 5.239 4.854 85 3HG2 ILE 10 3HG2 ILE 10 3.263 4.158 6.084 86 1HD1 ILE 10 1HD1 ILE 10 4.506 8.017 5.780 87 2HD1 ILE 10 2HD1 ILE 10 2.948 8.368 6.528 88 3HD1 ILE 10 3HD1 ILE 10 3.078 7.089 5.321 89 H LYS 11 H LYS 11 7.659 4.745 7.386 90 HA LYS 11 HA LYS 11 7.984 2.374 5.921 91 1HB LYS 11 2HB LYS 11 10.401 2.783 6.096 92 2HB LYS 11 1HB LYS 11 9.519 4.230 5.656 93 1HG LYS 11 2HG LYS 11 9.712 5.052 7.940 94 2HG LYS 11 1HG LYS 11 10.568 3.579 8.400 95 1HD LYS 11 2HD LYS 11 12.120 5.432 8.003 96 2HD LYS 11 1HD LYS 11 12.370 4.125 6.844 97 1HE LYS 11 2HE LYS 11 11.122 5.355 5.159 98 2HE LYS 11 1HE LYS 11 10.786 6.639 6.318 99 1HZ LYS 11 1HZ LYS 11 13.108 7.172 6.419 100 2HZ LYS 11 2HZ LYS 11 12.635 7.152 4.788 101 3HZ LYS 11 3HZ LYS 11 13.511 5.850 5.434 102 H TRP 12 H TRP 12 8.370 3.028 9.346 103 HA TRP 12 HA TRP 12 9.563 0.521 9.989 104 1HB TRP 12 2HB TRP 12 8.290 2.718 11.571 105 2HB TRP 12 1HB TRP 12 8.556 1.161 12.339 106 HD1 TRP 12 HD TRP 12 10.768 3.593 10.240 107 HE1 TRP 12 1HE TRP 12 13.078 3.710 11.384 108 HE3 TRP 12 3HE TRP 12 9.901 0.375 14.087 109 HZ2 TRP 12 2HZ TRP 12 14.352 2.569 13.629 110 HZ3 TRP 12 3HZ TRP 12 11.711 -0.069 15.699 111 HH2 TRP 12 HH TRP 12 13.892 1.009 15.472 112 H ALA 13 H ALA 13 6.326 1.473 9.274 113 HA ALA 13 HA ALA 13 5.197 -0.776 10.770 114 1HB ALA 13 1HB ALA 13 4.162 1.428 11.057 115 2HB ALA 13 2HB ALA 13 3.034 0.248 10.391 116 3HB ALA 13 3HB ALA 13 3.768 1.458 9.339 117 H CYS 14 H CYS 14 5.427 0.453 7.467 118 HA CYS 14 HA CYS 14 3.570 -1.328 6.324 119 1HB CYS 14 2HB CYS 14 4.633 -0.686 4.159 120 2HB CYS 14 1HB CYS 14 4.152 0.682 5.153 121 HG CYS 14 HG CYS 14 7.077 0.016 3.852 122 H ARG 15 H ARG 15 6.889 -1.731 7.182 123 HA ARG 15 HA ARG 15 7.223 -4.039 5.447 124 1HB ARG 15 2HB ARG 15 9.128 -2.664 7.346 125 2HB ARG 15 1HB ARG 15 9.549 -4.047 6.340 126 1HG ARG 15 2HG ARG 15 9.084 -2.768 4.335 127 2HG ARG 15 1HG ARG 15 8.577 -1.391 5.313 128 1HD ARG 15 2HD ARG 15 10.813 -1.171 6.211 129 2HD ARG 15 1HD ARG 15 11.334 -2.604 5.326 130 HE ARG 15 HE ARG 15 10.482 -1.089 3.322 131 1HH1 ARG 15 1HH1 ARG 15 12.402 -0.210 6.107 132 2HH1 ARG 15 2HH1 ARG 15 13.296 1.027 5.281 133 1HH2 ARG 15 1HH2 ARG 15 11.652 0.520 2.212 134 2HH2 ARG 15 2HH2 ARG 15 12.888 1.419 3.039 135 H ARG 16 H ARG 16 8.759 -5.746 6.791 136 HA ARG 16 HA ARG 16 8.728 -7.546 8.162 137 1HB ARG 16 2HB ARG 16 7.316 -5.593 9.801 138 2HB ARG 16 1HB ARG 16 6.784 -7.237 10.094 139 1HG ARG 16 2HG ARG 16 8.540 -6.614 11.639 140 2HG ARG 16 1HG ARG 16 9.084 -7.904 10.571 141 1HD ARG 16 2HD ARG 16 9.665 -5.032 9.943 142 2HD ARG 16 1HD ARG 16 10.675 -5.933 11.071 143 HE ARG 16 HE ARG 16 10.677 -7.566 8.965 144 1HH1 ARG 16 1HH1 ARG 16 11.109 -4.091 9.144 145 2HH1 ARG 16 2HH1 ARG 16 12.212 -4.036 7.795 146 1HH2 ARG 16 1HH2 ARG 16 12.100 -7.493 7.177 147 2HH2 ARG 16 2HH2 ARG 16 12.741 -5.959 6.652 148 H GLY 17 H GLY 17 7.737 -9.456 8.049 149 1HA GLY 17 2HA GLY 17 6.000 -10.989 7.775 150 2HA GLY 17 1HA GLY 17 4.887 -9.648 7.537 151 H MET 18 H MET 18 5.461 -8.343 5.478 152 HA MET 18 HA MET 18 6.078 -10.204 3.292 153 1HB MET 18 2HB MET 18 4.177 -9.272 1.982 154 2HB MET 18 1HB MET 18 3.675 -10.181 3.398 155 1HG MET 18 2HG MET 18 3.376 -8.028 4.600 156 2HG MET 18 1HG MET 18 3.733 -7.189 3.094 157 1HE MET 18 1HE MET 18 1.059 -6.735 4.810 158 2HE MET 18 2HE MET 18 -0.135 -6.666 3.513 159 3HE MET 18 3HE MET 18 1.426 -5.871 3.315 160 H LEU 19 H LEU 19 7.773 -9.406 2.280 161 HA LEU 19 HA LEU 19 8.425 -6.607 2.437 162 1HB LEU 19 2HB LEU 19 9.779 -8.928 1.075 163 2HB LEU 19 1HB LEU 19 10.435 -7.310 1.152 164 HG LEU 19 HG LEU 19 9.922 -9.134 3.499 165 1HD1 LEU 19 1HD1 LEU 19 12.490 -8.164 2.254 166 2HD1 LEU 19 2HD1 LEU 19 11.849 -9.805 2.180 167 3HD1 LEU 19 3HD1 LEU 19 12.359 -9.126 3.726 168 1HD2 LEU 19 1HD2 LEU 19 11.057 -6.342 3.410 169 2HD2 LEU 19 2HD2 LEU 19 11.040 -7.392 4.827 170 3HD2 LEU 19 3HD2 LEU 19 9.522 -6.829 4.129 171 H GLU 20 H GLU 20 7.003 -8.758 0.147 172 HA GLU 20 HA GLU 20 7.610 -7.558 -2.280 173 1HB GLU 20 2HB GLU 20 5.135 -9.047 -1.421 174 2HB GLU 20 1HB GLU 20 5.456 -8.578 -3.082 175 1HG GLU 20 2HG GLU 20 6.065 -10.856 -2.807 176 2HG GLU 20 1HG GLU 20 7.534 -9.914 -3.009 177 H LEU 21 H LEU 21 4.949 -6.870 -0.060 178 HA LEU 21 HA LEU 21 3.578 -5.075 -1.740 179 1HB LEU 21 2HB LEU 21 3.530 -5.697 1.175 180 2HB LEU 21 1HB LEU 21 2.714 -4.251 0.620 181 HG LEU 21 HG LEU 21 1.138 -6.084 0.809 182 1HD1 LEU 21 1HD1 LEU 21 0.751 -4.451 -0.944 183 2HD1 LEU 21 2HD1 LEU 21 0.211 -6.051 -1.452 184 3HD1 LEU 21 3HD1 LEU 21 1.731 -5.397 -2.063 185 1HD2 LEU 21 1HD2 LEU 21 2.886 -7.526 -1.182 186 2HD2 LEU 21 2HD2 LEU 21 1.307 -8.068 -0.616 187 3HD2 LEU 21 3HD2 LEU 21 2.658 -7.961 0.512 188 H ASP 22 H ASP 22 5.989 -4.534 0.795 189 HA ASP 22 HA ASP 22 5.849 -1.758 0.945 190 1HB ASP 22 2HB ASP 22 7.081 -3.088 2.572 191 2HB ASP 22 1HB ASP 22 8.243 -3.567 1.340 192 H VAL 23 H VAL 23 7.471 -3.811 -1.366 193 HA VAL 23 HA VAL 23 9.278 -1.984 -2.465 194 HB VAL 23 HB VAL 23 7.885 -4.279 -3.853 195 1HG1 VAL 23 1HG1 VAL 23 9.812 -4.272 -5.368 196 2HG1 VAL 23 2HG1 VAL 23 10.437 -2.831 -4.565 197 3HG1 VAL 23 3HG1 VAL 23 8.914 -2.758 -5.452 198 1HG2 VAL 23 1HG2 VAL 23 10.524 -4.184 -2.397 199 2HG2 VAL 23 2HG2 VAL 23 9.876 -5.570 -3.275 200 3HG2 VAL 23 3HG2 VAL 23 9.052 -4.980 -1.833 201 H VAL 24 H VAL 24 5.851 -2.518 -3.175 202 HA VAL 24 HA VAL 24 6.039 -0.568 -5.358 203 HB VAL 24 HB VAL 24 3.767 -1.301 -6.004 204 1HG1 VAL 24 1HG1 VAL 24 4.417 -3.510 -6.844 205 2HG1 VAL 24 2HG1 VAL 24 5.789 -3.519 -5.735 206 3HG1 VAL 24 3HG1 VAL 24 5.714 -2.328 -7.033 207 1HG2 VAL 24 1HG2 VAL 24 2.786 -3.292 -5.002 208 2HG2 VAL 24 2HG2 VAL 24 2.980 -2.021 -3.794 209 3HG2 VAL 24 3HG2 VAL 24 4.111 -3.373 -3.839 210 H ILE 25 H ILE 25 4.771 -0.939 -2.154 211 HA ILE 25 HA ILE 25 2.684 0.972 -2.338 212 HB ILE 25 HB ILE 25 4.187 -0.069 0.068 213 1HG1 ILE 25 2HG1 ILE 25 1.402 -0.639 -0.988 214 2HG1 ILE 25 1HG1 ILE 25 2.798 -1.703 -1.162 215 1HG2 ILE 25 1HG2 ILE 25 2.405 0.922 1.438 216 2HG2 ILE 25 2HG2 ILE 25 1.724 1.679 -0.001 217 3HG2 ILE 25 3HG2 ILE 25 3.322 2.156 0.573 218 1HD1 ILE 25 1HD1 ILE 25 2.897 -1.984 1.244 219 2HD1 ILE 25 2HD1 ILE 25 1.303 -2.418 0.628 220 3HD1 ILE 25 3HD1 ILE 25 1.542 -0.873 1.445 221 H MET 26 H MET 26 6.019 1.245 -1.088 222 HA MET 26 HA MET 26 5.754 3.825 -0.067 223 1HB MET 26 2HB MET 26 7.603 2.303 0.498 224 2HB MET 26 1HB MET 26 8.277 2.534 -1.110 225 1HG MET 26 2HG MET 26 8.559 4.925 -0.635 226 2HG MET 26 1HG MET 26 7.922 4.665 0.987 227 1HE MET 26 1HE MET 26 10.868 3.907 -1.500 228 2HE MET 26 2HE MET 26 10.270 2.302 -1.079 229 3HE MET 26 3HE MET 26 11.865 2.818 -0.533 230 HA PRO 27 HA PRO 27 7.714 5.651 -4.128 231 1HB PRO 27 2HB PRO 27 6.990 3.646 -6.176 232 2HB PRO 27 1HB PRO 27 8.512 4.509 -5.937 233 1HG PRO 27 2HG PRO 27 8.289 1.903 -5.366 234 2HG PRO 27 1HG PRO 27 9.283 2.984 -4.372 235 1HD PRO 27 2HD PRO 27 6.535 1.917 -3.848 236 2HD PRO 27 1HD PRO 27 7.902 2.100 -2.729 237 H PHE 28 H PHE 28 4.845 3.591 -4.525 238 HA PHE 28 HA PHE 28 3.456 5.424 -6.202 239 1HB PHE 28 2HB PHE 28 2.915 2.991 -6.045 240 2HB PHE 28 1HB PHE 28 2.291 3.265 -4.422 241 HD1 PHE 28 2HD PHE 28 1.794 4.078 -7.988 242 HD2 PHE 28 1HD PHE 28 0.111 4.089 -4.080 243 HE1 PHE 28 2HE PHE 28 -0.405 4.629 -8.942 244 HE2 PHE 28 1HE PHE 28 -2.092 4.641 -5.026 245 HZ PHE 28 HZ PHE 28 -2.351 4.911 -7.461 246 H PHE 29 H PHE 29 3.543 4.809 -2.740 247 HA PHE 29 HA PHE 29 1.491 6.509 -1.922 248 1HB PHE 29 2HB PHE 29 2.382 4.959 -0.355 249 2HB PHE 29 1HB PHE 29 4.013 5.594 -0.549 250 HD1 PHE 29 1HD PHE 29 0.621 6.774 0.452 251 HD2 PHE 29 2HD PHE 29 4.822 6.971 1.086 252 HE1 PHE 29 1HE PHE 29 0.259 8.300 2.344 253 HE2 PHE 29 2HE PHE 29 4.468 8.493 2.983 254 HZ PHE 29 HZ PHE 29 2.185 9.163 3.612 255 H GLU 30 H GLU 30 4.947 7.207 -2.401 256 HA GLU 30 HA GLU 30 5.015 9.786 -1.411 257 1HB GLU 30 2HB GLU 30 6.488 8.553 -3.735 258 2HB GLU 30 1HB GLU 30 6.903 10.090 -3.016 259 1HG GLU 30 2HG GLU 30 6.798 7.555 -1.499 260 2HG GLU 30 1HG GLU 30 8.251 8.180 -2.244 261 H GLU 31 H GLU 31 4.209 8.708 -4.678 262 HA GLU 31 HA GLU 31 3.640 11.344 -5.633 263 1HB GLU 31 2HB GLU 31 3.067 8.606 -6.756 264 2HB GLU 31 1HB GLU 31 2.620 10.091 -7.585 265 1HG GLU 31 2HG GLU 31 5.421 9.353 -6.775 266 2HG GLU 31 1HG GLU 31 4.740 9.122 -8.385 267 H CYS 32 H CYS 32 1.618 8.623 -4.559 268 HA CYS 32 HA CYS 32 -0.857 9.809 -5.235 269 1HB CYS 32 2HB CYS 32 -0.465 7.375 -4.796 270 2HB CYS 32 1HB CYS 32 -0.327 7.749 -3.082 271 HG CYS 32 HG CYS 32 -3.154 8.706 -4.691 272 H PHE 33 H PHE 33 1.155 9.976 -2.387 273 HA PHE 33 HA PHE 33 -0.579 10.966 -0.478 274 1HB PHE 33 2HB PHE 33 1.616 10.306 0.158 275 2HB PHE 33 1HB PHE 33 2.361 11.458 -0.941 276 HD1 PHE 33 2HD PHE 33 0.353 11.187 2.165 277 HD2 PHE 33 1HD PHE 33 2.911 13.617 -0.215 278 HE1 PHE 33 2HE PHE 33 0.513 12.815 4.004 279 HE2 PHE 33 1HE PHE 33 3.077 15.248 1.618 280 HZ PHE 33 HZ PHE 33 1.875 14.849 3.731 281 H ASP 34 H ASP 34 0.993 12.676 -3.107 282 HA ASP 34 HA ASP 34 0.602 15.316 -2.263 283 1HB ASP 34 2HB ASP 34 1.970 14.504 -4.248 284 2HB ASP 34 1HB ASP 34 0.454 14.382 -5.136 285 H SER 35 H SER 35 -1.599 13.007 -3.667 286 HA SER 35 HA SER 35 -3.656 15.056 -4.023 287 1HB SER 35 2HB SER 35 -3.224 13.470 -5.886 288 2HB SER 35 1HB SER 35 -3.686 12.136 -4.832 289 HG SER 35 HG SER 35 -5.571 14.095 -4.873 290 H LEU 36 H LEU 36 -2.766 12.384 -2.003 291 HA LEU 36 HA LEU 36 -5.349 11.928 -0.879 292 1HB LEU 36 2HB LEU 36 -2.604 11.211 0.156 293 2HB LEU 36 1HB LEU 36 -4.111 10.658 0.859 294 HG LEU 36 HG LEU 36 -3.101 9.994 -1.910 295 1HD1 LEU 36 1HD1 LEU 36 -2.905 7.716 -1.017 296 2HD1 LEU 36 2HD1 LEU 36 -3.365 8.311 0.579 297 3HD1 LEU 36 3HD1 LEU 36 -1.860 8.852 -0.164 298 1HD2 LEU 36 1HD2 LEU 36 -5.549 10.160 -1.828 299 2HD2 LEU 36 2HD2 LEU 36 -5.575 9.031 -0.473 300 3HD2 LEU 36 3HD2 LEU 36 -5.012 8.495 -2.057 301 H THR 37 H THR 37 -6.272 12.732 0.920 302 HA THR 37 HA THR 37 -5.073 15.151 2.008 303 HB THR 37 HB THR 37 -7.304 15.372 3.182 304 HG1 THR 37 1HG THR 37 -7.909 13.141 1.487 305 1HG2 THR 37 1HG2 THR 37 -8.480 16.077 1.156 306 2HG2 THR 37 2HG2 THR 37 -7.333 15.169 0.169 307 3HG2 THR 37 3HG2 THR 37 -6.786 16.559 1.106 308 H GLU 38 H GLU 38 -5.414 15.528 4.406 309 HA GLU 38 HA GLU 38 -3.840 13.867 5.932 310 1HB GLU 38 2HB GLU 38 -6.092 15.659 6.864 311 2HB GLU 38 1HB GLU 38 -4.849 14.989 7.908 312 1HG GLU 38 2HG GLU 38 -4.341 16.845 5.598 313 2HG GLU 38 1HG GLU 38 -4.452 17.333 7.287 314 H SER 39 H SER 39 -7.370 13.852 5.691 315 HA SER 39 HA SER 39 -7.887 11.964 7.682 316 1HB SER 39 2HB SER 39 -10.037 11.678 6.195 317 2HB SER 39 1HB SER 39 -9.735 13.204 7.029 318 HG SER 39 HG SER 39 -10.059 12.827 4.439 319 H GLU 40 H GLU 40 -7.588 11.559 4.165 320 HA GLU 40 HA GLU 40 -8.007 8.779 4.097 321 1HB GLU 40 2HB GLU 40 -6.381 10.494 2.211 322 2HB GLU 40 1HB GLU 40 -6.989 8.882 1.866 323 1HG GLU 40 2HG GLU 40 -9.236 9.635 1.860 324 2HG GLU 40 1HG GLU 40 -8.776 11.204 2.523 325 H GLN 41 H GLN 41 -5.038 10.703 4.190 326 HA GLN 41 HA GLN 41 -3.204 8.614 4.114 327 1HB GLN 41 2HB GLN 41 -3.146 11.363 4.250 328 2HB GLN 41 1HB GLN 41 -2.431 10.884 5.783 329 1HG GLN 41 2HG GLN 41 -1.521 9.852 3.116 330 2HG GLN 41 1HG GLN 41 -0.829 11.252 3.925 331 1HE2 GLN 41 1HE2 GLN 41 -1.172 7.799 3.966 332 2HE2 GLN 41 2HE2 GLN 41 0.058 7.487 5.135 333 H ASP 42 H ASP 42 -4.859 10.140 6.838 334 HA ASP 42 HA ASP 42 -3.419 8.902 8.917 335 1HB ASP 42 2HB ASP 42 -4.869 10.814 9.320 336 2HB ASP 42 1HB ASP 42 -6.281 9.881 8.846 337 H ASP 43 H ASP 43 -6.380 7.956 7.246 338 HA ASP 43 HA ASP 43 -6.959 5.652 8.760 339 1HB ASP 43 2HB ASP 43 -8.381 6.929 6.974 340 2HB ASP 43 1HB ASP 43 -7.587 5.861 5.823 341 H PHE 44 H PHE 44 -5.075 6.160 5.821 342 HA PHE 44 HA PHE 44 -4.430 3.487 5.264 343 1HB PHE 44 2HB PHE 44 -4.156 5.290 3.641 344 2HB PHE 44 1HB PHE 44 -2.906 6.024 4.635 345 HD1 PHE 44 1HD PHE 44 -3.544 2.562 3.369 346 HD2 PHE 44 2HD PHE 44 -0.850 5.846 3.676 347 HE1 PHE 44 1HE PHE 44 -1.838 1.273 2.152 348 HE2 PHE 44 2HE PHE 44 0.858 4.560 2.462 349 HZ PHE 44 HZ PHE 44 0.367 2.275 1.698 350 H VAL 45 H VAL 45 -2.627 5.972 7.098 351 HA VAL 45 HA VAL 45 -0.367 4.408 7.664 352 HB VAL 45 HB VAL 45 -1.532 6.707 9.252 353 1HG1 VAL 45 1HG1 VAL 45 1.212 5.464 9.438 354 2HG1 VAL 45 2HG1 VAL 45 -0.062 5.336 10.651 355 3HG1 VAL 45 3HG1 VAL 45 0.665 6.904 10.298 356 1HG2 VAL 45 1HG2 VAL 45 0.177 8.037 8.148 357 2HG2 VAL 45 2HG2 VAL 45 -0.878 7.268 6.961 358 3HG2 VAL 45 3HG2 VAL 45 0.732 6.615 7.266 359 H ALA 46 H ALA 46 -3.306 4.965 9.591 360 HA ALA 46 HA ALA 46 -2.529 3.490 11.844 361 1HB ALA 46 1HB ALA 46 -4.418 5.054 11.828 362 2HB ALA 46 2HB ALA 46 -4.889 3.468 12.441 363 3HB ALA 46 3HB ALA 46 -5.322 3.943 10.799 364 H LEU 47 H LEU 47 -3.966 2.473 8.808 365 HA LEU 47 HA LEU 47 -4.703 -0.138 9.623 366 1HB LEU 47 2HB LEU 47 -5.472 1.155 7.565 367 2HB LEU 47 1HB LEU 47 -3.952 0.687 6.829 368 HG LEU 47 HG LEU 47 -4.592 -1.709 7.209 369 1HD1 LEU 47 1HD1 LEU 47 -6.941 -2.205 7.641 370 2HD1 LEU 47 2HD1 LEU 47 -7.266 -0.488 7.876 371 3HD1 LEU 47 3HD1 LEU 47 -6.209 -1.347 8.997 372 1HD2 LEU 47 1HD2 LEU 47 -4.843 -0.651 5.032 373 2HD2 LEU 47 2HD2 LEU 47 -6.431 -0.041 5.497 374 3HD2 LEU 47 3HD2 LEU 47 -6.166 -1.777 5.334 375 H LEU 48 H LEU 48 -1.789 1.229 8.216 376 HA LEU 48 HA LEU 48 -0.521 -1.228 7.582 377 1HB LEU 48 2HB LEU 48 0.626 1.530 7.976 378 2HB LEU 48 1HB LEU 48 1.516 0.168 7.326 379 HG LEU 48 HG LEU 48 -0.918 1.426 6.053 380 1HD1 LEU 48 1HD1 LEU 48 1.057 2.878 6.004 381 2HD1 LEU 48 2HD1 LEU 48 0.642 2.282 4.398 382 3HD1 LEU 48 3HD1 LEU 48 1.995 1.572 5.278 383 1HD2 LEU 48 1HD2 LEU 48 -0.366 0.023 4.138 384 2HD2 LEU 48 2HD2 LEU 48 -0.714 -0.959 5.561 385 3HD2 LEU 48 3HD2 LEU 48 0.955 -0.714 5.043 386 H GLU 49 H GLU 49 -0.945 0.297 10.590 387 HA GLU 49 HA GLU 49 1.611 0.151 11.687 388 1HB GLU 49 2HB GLU 49 -1.043 0.027 13.108 389 2HB GLU 49 1HB GLU 49 0.505 0.315 13.891 390 1HG GLU 49 2HG GLU 49 0.740 2.311 12.334 391 2HG GLU 49 1HG GLU 49 -0.968 2.078 11.963 392 H SER 50 H SER 50 -0.934 -2.352 11.681 393 HA SER 50 HA SER 50 1.205 -4.283 12.021 394 1HB SER 50 2HB SER 50 -1.191 -4.286 13.832 395 2HB SER 50 1HB SER 50 0.071 -5.496 13.795 396 HG SER 50 HG SER 50 1.265 -3.166 14.083 397 H ASP 51 H ASP 51 0.962 -5.482 10.365 398 HA ASP 51 HA ASP 51 0.180 -6.903 8.786 399 1HB ASP 51 2HB ASP 51 -0.274 -8.294 10.704 400 2HB ASP 51 1HB ASP 51 -1.828 -7.507 10.957 401 H ASP 52 H ASP 52 -0.711 -6.356 6.927 402 HA ASP 52 HA ASP 52 -3.370 -5.092 6.966 403 1HB ASP 52 2HB ASP 52 -1.223 -3.883 6.021 404 2HB ASP 52 1HB ASP 52 -1.649 -4.813 4.583 405 HA PRO 53 HA PRO 53 -4.126 -9.052 4.800 406 1HB PRO 53 2HB PRO 53 -6.489 -9.593 5.982 407 2HB PRO 53 1HB PRO 53 -4.946 -9.987 6.748 408 1HG PRO 53 2HG PRO 53 -6.792 -7.702 7.271 409 2HG PRO 53 1HG PRO 53 -5.855 -8.674 8.419 410 1HD PRO 53 2HD PRO 53 -5.111 -6.179 7.529 411 2HD PRO 53 1HD PRO 53 -3.984 -7.400 8.150 412 H ASP 54 H ASP 54 -6.101 -6.223 5.413 413 HA ASP 54 HA ASP 54 -8.043 -6.616 3.392 414 1HB ASP 54 2HB ASP 54 -6.945 -4.025 4.530 415 2HB ASP 54 1HB ASP 54 -8.419 -4.177 3.581 416 H LEU 55 H LEU 55 -5.021 -4.819 3.532 417 HA LEU 55 HA LEU 55 -4.834 -3.962 0.886 418 1HB LEU 55 2HB LEU 55 -3.351 -3.796 3.170 419 2HB LEU 55 1HB LEU 55 -2.341 -4.838 2.205 420 HG LEU 55 HG LEU 55 -3.221 -2.035 1.585 421 1HD1 LEU 55 1HD1 LEU 55 -1.420 -2.197 3.185 422 2HD1 LEU 55 2HD1 LEU 55 -0.823 -1.556 1.654 423 3HD1 LEU 55 3HD1 LEU 55 -0.512 -3.237 2.088 424 1HD2 LEU 55 1HD2 LEU 55 -1.619 -3.912 -0.150 425 2HD2 LEU 55 2HD2 LEU 55 -1.864 -2.193 -0.458 426 3HD2 LEU 55 3HD2 LEU 55 -3.237 -3.299 -0.494 427 H PHE 56 H PHE 56 -3.533 -6.873 2.426 428 HA PHE 56 HA PHE 56 -2.302 -8.001 0.198 429 1HB PHE 56 2HB PHE 56 -1.945 -8.720 2.543 430 2HB PHE 56 1HB PHE 56 -3.557 -9.426 2.554 431 HD1 PHE 56 1HD PHE 56 -0.174 -9.698 1.132 432 HD2 PHE 56 2HD PHE 56 -3.974 -11.555 1.586 433 HE1 PHE 56 1HE PHE 56 0.764 -11.812 0.300 434 HE2 PHE 56 2HE PHE 56 -3.042 -13.675 0.751 435 HZ PHE 56 HZ PHE 56 -0.671 -13.805 0.112 436 H ALA 57 H ALA 57 -5.579 -8.476 1.469 437 HA ALA 57 HA ALA 57 -6.279 -10.533 -0.331 438 1HB ALA 57 1HB ALA 57 -7.422 -10.170 1.803 439 2HB ALA 57 2HB ALA 57 -8.545 -10.219 0.443 440 3HB ALA 57 3HB ALA 57 -8.105 -8.673 1.167 441 H TRP 58 H TRP 58 -6.570 -7.013 -0.567 442 HA TRP 58 HA TRP 58 -8.240 -7.249 -2.911 443 1HB TRP 58 2HB TRP 58 -7.264 -5.016 -1.245 444 2HB TRP 58 1HB TRP 58 -7.547 -4.646 -2.946 445 HD1 TRP 58 HD TRP 58 -9.537 -6.531 -0.172 446 HE1 TRP 58 1HE TRP 58 -12.020 -5.857 -0.387 447 HE3 TRP 58 3HE TRP 58 -9.190 -3.360 -4.187 448 HZ2 TRP 58 2HZ TRP 58 -13.602 -4.219 -2.028 449 HZ3 TRP 58 3HZ TRP 58 -11.251 -2.284 -5.013 450 HH2 TRP 58 HH TRP 58 -13.403 -2.710 -3.952 451 H VAL 59 H VAL 59 -4.833 -6.697 -2.248 452 HA VAL 59 HA VAL 59 -4.106 -6.164 -4.942 453 HB VAL 59 HB VAL 59 -2.468 -7.322 -2.677 454 1HG1 VAL 59 1HG1 VAL 59 -0.499 -6.728 -4.018 455 2HG1 VAL 59 2HG1 VAL 59 -1.556 -6.317 -5.368 456 3HG1 VAL 59 3HG1 VAL 59 -1.473 -7.981 -4.787 457 1HG2 VAL 59 1HG2 VAL 59 -2.615 -4.543 -3.834 458 2HG2 VAL 59 2HG2 VAL 59 -1.499 -5.068 -2.573 459 3HG2 VAL 59 3HG2 VAL 59 -3.236 -5.055 -2.266 460 H MET 60 H MET 60 -4.416 -9.138 -3.049 461 HA MET 60 HA MET 60 -3.549 -10.803 -5.228 462 1HB MET 60 2HB MET 60 -4.863 -11.485 -2.597 463 2HB MET 60 1HB MET 60 -4.263 -12.674 -3.745 464 1HG MET 60 2HG MET 60 -2.625 -10.597 -2.314 465 2HG MET 60 1HG MET 60 -2.679 -12.322 -1.954 466 1HE MET 60 1HE MET 60 -0.008 -10.538 -2.561 467 2HE MET 60 2HE MET 60 0.910 -11.719 -3.493 468 3HE MET 60 3HE MET 60 0.011 -12.230 -2.065 469 H GLY 61 H GLY 61 -6.462 -9.301 -4.367 470 1HA GLY 61 2HA GLY 61 -8.413 -9.194 -5.599 471 2HA GLY 61 1HA GLY 61 -7.749 -10.406 -6.682 472 H HIS 62 H HIS 62 -8.363 -10.602 -3.182 473 HA HIS 62 HA HIS 62 -10.416 -12.621 -3.775 474 1HB HIS 62 2HB HIS 62 -8.283 -12.681 -1.657 475 2HB HIS 62 1HB HIS 62 -9.742 -13.657 -1.532 476 HD1 HIS 62 1HD HIS 62 -9.993 -15.646 -3.165 477 HD2 HIS 62 2HD HIS 62 -6.423 -13.543 -3.570 478 HE1 HIS 62 1HE HIS 62 -8.506 -17.093 -4.589 479 HE2 HIS 62 2HE HIS 62 -6.412 -15.737 -4.951 480 H GLY 63 H GLY 63 -9.608 -9.774 -2.136 481 1HA GLY 63 2HA GLY 63 -11.009 -8.211 -1.199 482 2HA GLY 63 1HA GLY 63 -12.352 -9.271 -1.582 483 H ARG 64 H ARG 64 -10.612 -7.850 0.877 484 HA ARG 64 HA ARG 64 -12.202 -9.310 2.832 485 1HB ARG 64 2HB ARG 64 -9.226 -9.145 2.848 486 2HB ARG 64 1HB ARG 64 -10.070 -9.042 4.382 487 1HG ARG 64 2HG ARG 64 -11.148 -11.222 3.861 488 2HG ARG 64 1HG ARG 64 -10.119 -11.325 2.426 489 1HD ARG 64 2HD ARG 64 -8.135 -11.242 3.791 490 2HD ARG 64 1HD ARG 64 -9.100 -10.982 5.241 491 HE ARG 64 HE ARG 64 -9.609 -13.450 3.784 492 1HH1 ARG 64 1HH1 ARG 64 -8.047 -11.832 6.471 493 2HH1 ARG 64 2HH1 ARG 64 -7.633 -13.306 7.293 494 1HH2 ARG 64 1HH2 ARG 64 -9.098 -15.409 4.897 495 2HH2 ARG 64 2HH2 ARG 64 -8.256 -15.328 6.422 496 H CYS 65 H CYS 65 -11.943 -6.575 1.528 497 HA CYS 65 HA CYS 65 -11.326 -4.945 3.894 498 1HB CYS 65 2HB CYS 65 -10.078 -4.512 1.743 499 2HB CYS 65 1HB CYS 65 -11.604 -3.986 1.042 500 HG CYS 65 HG CYS 65 -10.185 -2.506 3.782 501 H GLU 66 H GLU 66 -12.903 -3.991 4.965 502 HA GLU 66 HA GLU 66 -15.621 -4.353 4.033 503 1HB GLU 66 2HB GLU 66 -14.479 -3.312 6.623 504 2HB GLU 66 1HB GLU 66 -16.201 -3.461 6.302 505 1HG GLU 66 2HG GLU 66 -14.223 -5.730 6.294 506 2HG GLU 66 1HG GLU 66 -15.332 -5.336 7.607 507 H ASN 67 H ASN 67 -13.373 -1.701 4.567 508 HA ASN 67 HA ASN 67 -15.491 0.183 3.801 509 1HB ASN 67 2HB ASN 67 -13.994 1.957 4.685 510 2HB ASN 67 1HB ASN 67 -14.464 0.779 5.901 511 1HD2 ASN 67 1HD2 ASN 67 -12.180 2.642 5.695 512 2HD2 ASN 67 2HD2 ASN 67 -10.780 1.652 5.917 513 H LEU 68 H LEU 68 -15.532 0.890 1.797 514 HA LEU 68 HA LEU 68 -13.445 0.197 -0.020 515 1HB LEU 68 2HB LEU 68 -15.933 1.853 -0.357 516 2HB LEU 68 1HB LEU 68 -14.818 1.516 -1.662 517 HG LEU 68 HG LEU 68 -16.528 -0.458 -0.160 518 1HD1 LEU 68 1HD1 LEU 68 -17.633 0.821 -1.938 519 2HD1 LEU 68 2HD1 LEU 68 -17.489 -0.888 -2.351 520 3HD1 LEU 68 3HD1 LEU 68 -16.396 0.291 -3.078 521 1HD2 LEU 68 1HD2 LEU 68 -14.309 -1.424 -0.529 522 2HD2 LEU 68 2HD2 LEU 68 -14.422 -1.023 -2.244 523 3HD2 LEU 68 3HD2 LEU 68 -15.531 -2.198 -1.538 524 H GLY 69 H GLY 69 -13.949 2.848 2.022 525 1HA GLY 69 2HA GLY 69 -12.695 4.930 0.638 526 2HA GLY 69 1HA GLY 69 -12.664 4.726 2.385 527 H LEU 70 H LEU 70 -11.247 2.470 2.765 528 HA LEU 70 HA LEU 70 -8.566 3.167 2.099 529 1HB LEU 70 2HB LEU 70 -9.830 0.790 3.435 530 2HB LEU 70 1HB LEU 70 -8.114 0.820 3.058 531 HG LEU 70 HG LEU 70 -9.555 2.778 4.849 532 1HD1 LEU 70 1HD1 LEU 70 -7.587 0.593 5.504 533 2HD1 LEU 70 2HD1 LEU 70 -9.321 0.537 5.817 534 3HD1 LEU 70 3HD1 LEU 70 -8.311 1.722 6.648 535 1HD2 LEU 70 1HD2 LEU 70 -7.694 3.802 3.636 536 2HD2 LEU 70 2HD2 LEU 70 -6.625 2.508 4.178 537 3HD2 LEU 70 3HD2 LEU 70 -7.322 3.628 5.350 538 H ALA 71 H ALA 71 -10.806 0.658 1.027 539 HA ALA 71 HA ALA 71 -9.096 -0.787 -0.614 540 1HB ALA 71 1HB ALA 71 -12.037 -0.319 -1.052 541 2HB ALA 71 2HB ALA 71 -11.352 -1.508 0.056 542 3HB ALA 71 3HB ALA 71 -11.078 -1.658 -1.681 543 H ALA 72 H ALA 72 -10.701 2.256 -1.190 544 HA ALA 72 HA ALA 72 -10.488 2.384 -3.981 545 1HB ALA 72 1HB ALA 72 -10.368 4.668 -2.016 546 2HB ALA 72 2HB ALA 72 -11.843 3.929 -2.639 547 3HB ALA 72 3HB ALA 72 -10.753 4.782 -3.733 548 H MET 73 H MET 73 -8.228 3.451 -1.439 549 HA MET 73 HA MET 73 -6.334 4.387 -3.370 550 1HB MET 73 2HB MET 73 -4.914 4.960 -1.572 551 2HB MET 73 1HB MET 73 -6.546 5.300 -1.029 552 1HG MET 73 2HG MET 73 -5.509 4.356 0.817 553 2HG MET 73 1HG MET 73 -6.437 3.022 0.143 554 1HE MET 73 1HE MET 73 -1.908 3.509 -0.599 555 2HE MET 73 2HE MET 73 -2.849 4.674 0.332 556 3HE MET 73 3HE MET 73 -3.156 4.472 -1.393 557 H VAL 74 H VAL 74 -6.931 1.389 -1.711 558 HA VAL 74 HA VAL 74 -4.469 0.125 -2.365 559 HB VAL 74 HB VAL 74 -7.171 -1.140 -1.852 560 1HG1 VAL 74 1HG1 VAL 74 -5.689 -2.677 -3.000 561 2HG1 VAL 74 2HG1 VAL 74 -5.881 -3.165 -1.316 562 3HG1 VAL 74 3HG1 VAL 74 -4.408 -2.346 -1.834 563 1HG2 VAL 74 1HG2 VAL 74 -6.428 0.205 0.036 564 2HG2 VAL 74 2HG2 VAL 74 -4.869 -0.619 0.027 565 3HG2 VAL 74 3HG2 VAL 74 -6.337 -1.513 0.424 566 H ASP 75 H ASP 75 -7.622 0.322 -3.952 567 HA ASP 75 HA ASP 75 -7.097 -1.376 -6.121 568 1HB ASP 75 2HB ASP 75 -9.346 -0.522 -5.521 569 2HB ASP 75 1HB ASP 75 -8.869 1.076 -6.089 570 H LYS 76 H LYS 76 -6.358 2.025 -5.591 571 HA LYS 76 HA LYS 76 -5.421 2.690 -8.146 572 1HB LYS 76 2HB LYS 76 -4.459 3.648 -5.440 573 2HB LYS 76 1HB LYS 76 -4.001 4.377 -6.972 574 1HG LYS 76 2HG LYS 76 -6.312 4.994 -7.397 575 2HG LYS 76 1HG LYS 76 -6.811 4.201 -5.900 576 1HD LYS 76 2HD LYS 76 -5.452 5.749 -4.607 577 2HD LYS 76 1HD LYS 76 -4.893 6.524 -6.088 578 1HE LYS 76 2HE LYS 76 -7.762 6.405 -5.170 579 2HE LYS 76 1HE LYS 76 -6.687 7.784 -4.946 580 1HZ LYS 76 1HZ LYS 76 -8.046 8.151 -6.858 581 2HZ LYS 76 2HZ LYS 76 -7.619 6.659 -7.534 582 3HZ LYS 76 3HZ LYS 76 -6.457 7.886 -7.392 583 H ILE 77 H ILE 77 -3.813 1.110 -5.429 584 HA ILE 77 HA ILE 77 -1.253 0.916 -6.655 585 HB ILE 77 HB ILE 77 -2.420 -0.829 -4.476 586 1HG1 ILE 77 2HG1 ILE 77 -0.746 1.683 -4.237 587 2HG1 ILE 77 1HG1 ILE 77 -2.473 1.591 -3.920 588 1HG2 ILE 77 1HG2 ILE 77 -0.084 -1.262 -3.877 589 2HG2 ILE 77 2HG2 ILE 77 0.445 -0.287 -5.249 590 3HG2 ILE 77 3HG2 ILE 77 -0.436 -1.789 -5.524 591 1HD1 ILE 77 1HD1 ILE 77 -0.316 0.151 -2.397 592 2HD1 ILE 77 2HD1 ILE 77 -2.048 0.028 -2.085 593 3HD1 ILE 77 3HD1 ILE 77 -1.216 1.567 -1.855 594 H VAL 78 H VAL 78 -4.025 -1.260 -6.369 595 HA VAL 78 HA VAL 78 -2.916 -3.499 -7.650 596 HB VAL 78 HB VAL 78 -5.816 -2.642 -7.566 597 1HG1 VAL 78 1HG1 VAL 78 -5.461 -4.312 -9.289 598 2HG1 VAL 78 2HG1 VAL 78 -6.302 -5.037 -7.917 599 3HG1 VAL 78 3HG1 VAL 78 -4.579 -5.332 -8.151 600 1HG2 VAL 78 1HG2 VAL 78 -4.268 -4.484 -5.751 601 2HG2 VAL 78 2HG2 VAL 78 -5.997 -4.146 -5.655 602 3HG2 VAL 78 3HG2 VAL 78 -4.828 -2.861 -5.345 603 H ALA 79 H ALA 79 -4.625 -0.682 -8.927 604 HA ALA 79 HA ALA 79 -4.819 -1.509 -11.605 605 1HB ALA 79 1HB ALA 79 -5.130 0.831 -12.147 606 2HB ALA 79 2HB ALA 79 -4.509 1.305 -10.568 607 3HB ALA 79 3HB ALA 79 -6.033 0.424 -10.686 608 H HIS 80 H HIS 80 -2.220 0.053 -9.831 609 HA HIS 80 HA HIS 80 -0.534 0.466 -12.092 610 1HB HIS 80 2HB HIS 80 -0.277 1.773 -10.025 611 2HB HIS 80 1HB HIS 80 0.151 0.312 -9.141 612 HD1 HIS 80 1HD HIS 80 1.469 2.291 -12.129 613 HD2 HIS 80 2HD HIS 80 2.831 -0.096 -8.998 614 HE1 HIS 80 1HE HIS 80 3.983 2.387 -12.238 615 HE2 HIS 80 2HE HIS 80 4.790 0.881 -10.385 616 H ASN 81 H ASN 81 -0.954 -2.094 -9.739 617 HA ASN 81 HA ASN 81 1.272 -3.667 -10.555 618 1HB ASN 81 2HB ASN 81 0.107 -3.893 -8.353 619 2HB ASN 81 1HB ASN 81 -1.263 -4.606 -9.197 620 1HD2 ASN 81 1HD2 ASN 81 -1.097 -6.567 -8.149 621 2HD2 ASN 81 2HD2 ASN 81 0.195 -7.675 -8.442 622 H LEU 82 H LEU 82 -2.063 -3.425 -11.578 623 HA LEU 82 HA LEU 82 -2.419 -5.821 -12.910 624 1HB LEU 82 2HB LEU 82 -4.010 -3.790 -12.452 625 2HB LEU 82 1HB LEU 82 -3.492 -3.262 -14.038 626 HG LEU 82 HG LEU 82 -4.783 -5.943 -13.524 627 1HD1 LEU 82 1HD1 LEU 82 -6.031 -3.363 -14.462 628 2HD1 LEU 82 2HD1 LEU 82 -6.335 -4.173 -12.925 629 3HD1 LEU 82 3HD1 LEU 82 -6.825 -4.938 -14.436 630 1HD2 LEU 82 1HD2 LEU 82 -5.178 -5.913 -15.939 631 2HD2 LEU 82 2HD2 LEU 82 -3.456 -5.829 -15.568 632 3HD2 LEU 82 3HD2 LEU 82 -4.323 -4.375 -16.059 633 H SER 83 H SER 83 -0.986 -2.809 -14.149 634 HA SER 83 HA SER 83 -0.587 -3.799 -16.773 635 1HB SER 83 2HB SER 83 1.059 -1.847 -16.918 636 2HB SER 83 1HB SER 83 -0.615 -1.442 -16.543 637 HG SER 83 HG SER 83 0.244 -0.442 -14.911 638 H LYS 84 H LYS 84 1.293 -3.960 -13.831 639 HA LYS 84 HA LYS 84 3.713 -4.869 -15.022 640 1HB LYS 84 2HB LYS 84 2.660 -5.338 -12.226 641 2HB LYS 84 1HB LYS 84 4.319 -5.584 -12.753 642 1HG LYS 84 2HG LYS 84 4.560 -3.213 -13.194 643 2HG LYS 84 1HG LYS 84 2.875 -2.943 -12.751 644 1HD LYS 84 2HD LYS 84 4.291 -2.334 -10.898 645 2HD LYS 84 1HD LYS 84 3.377 -3.783 -10.480 646 1HE LYS 84 2HE LYS 84 5.736 -3.909 -9.774 647 2HE LYS 84 1HE LYS 84 5.299 -5.173 -10.922 648 1HZ LYS 84 1HZ LYS 84 7.489 -3.808 -11.211 649 2HZ LYS 84 2HZ LYS 84 6.460 -2.681 -11.957 650 3HZ LYS 84 3HZ LYS 84 6.572 -4.265 -12.560 651 H VAL 85 H VAL 85 0.783 -6.410 -13.895 652 HA VAL 85 HA VAL 85 1.692 -9.094 -14.035 653 HB VAL 85 HB VAL 85 -1.138 -8.056 -14.337 654 1HG1 VAL 85 1HG1 VAL 85 -0.868 -10.368 -15.114 655 2HG1 VAL 85 2HG1 VAL 85 -1.816 -10.299 -13.628 656 3HG1 VAL 85 3HG1 VAL 85 -0.126 -10.799 -13.572 657 1HG2 VAL 85 1HG2 VAL 85 0.334 -8.984 -11.868 658 2HG2 VAL 85 2HG2 VAL 85 -1.366 -8.520 -11.942 659 3HG2 VAL 85 3HG2 VAL 85 -0.110 -7.318 -12.239 660 H ARG 86 H ARG 86 0.171 -6.915 -16.361 661 HA ARG 86 HA ARG 86 -0.086 -8.960 -18.365 662 1HB ARG 86 2HB ARG 86 -1.041 -7.312 -19.755 663 2HB ARG 86 1HB ARG 86 -1.584 -6.929 -18.133 664 1HG ARG 86 2HG ARG 86 0.108 -5.173 -17.979 665 2HG ARG 86 1HG ARG 86 0.641 -5.557 -19.617 666 1HD ARG 86 2HD ARG 86 -2.099 -4.580 -18.821 667 2HD ARG 86 1HD ARG 86 -0.844 -3.627 -19.610 668 HE ARG 86 HE ARG 86 -1.420 -5.931 -21.148 669 1HH1 ARG 86 1HH1 ARG 86 -2.726 -2.783 -20.311 670 2HH1 ARG 86 2HH1 ARG 86 -3.684 -2.661 -21.753 671 1HH2 ARG 86 1HH2 ARG 86 -2.689 -5.763 -23.051 672 2HH2 ARG 86 2HH2 ARG 86 -3.671 -4.345 -23.302 673 H LEU 87 H LEU 87 2.337 -6.660 -17.439 674 HA LEU 87 HA LEU 87 3.890 -6.621 -19.774 675 1HB LEU 87 2HB LEU 87 4.657 -6.421 -16.866 676 2HB LEU 87 1HB LEU 87 5.817 -6.253 -18.162 677 HG LEU 87 HG LEU 87 3.425 -4.462 -17.748 678 1HD1 LEU 87 1HD1 LEU 87 6.348 -3.968 -17.209 679 2HD1 LEU 87 2HD1 LEU 87 5.096 -4.197 -15.988 680 3HD1 LEU 87 3HD1 LEU 87 5.047 -2.789 -17.048 681 1HD2 LEU 87 1HD2 LEU 87 5.751 -4.247 -19.656 682 2HD2 LEU 87 2HD2 LEU 87 4.479 -3.045 -19.435 683 3HD2 LEU 87 3HD2 LEU 87 4.086 -4.634 -20.091 684 H GLU 88 H GLU 88 4.311 -8.652 -16.872 685 HA GLU 88 HA GLU 88 5.510 -10.692 -18.625 686 1HB GLU 88 2HB GLU 88 6.150 -10.222 -15.706 687 2HB GLU 88 1HB GLU 88 6.882 -11.431 -16.750 688 1HG GLU 88 2HG GLU 88 7.783 -9.604 -18.158 689 2HG GLU 88 1HG GLU 88 7.141 -8.446 -16.995 690 H HIS 89 H HIS 89 4.913 -11.321 -15.273 691 HA HIS 89 HA HIS 89 2.283 -12.242 -15.358 692 1HB HIS 89 2HB HIS 89 3.125 -13.893 -16.985 693 2HB HIS 89 1HB HIS 89 4.318 -14.444 -15.815 694 HD1 HIS 89 1HD HIS 89 0.517 -14.110 -15.954 695 HD2 HIS 89 2HD HIS 89 3.488 -16.628 -14.484 696 HE1 HIS 89 1HE HIS 89 -0.692 -16.059 -14.905 697 HE2 HIS 89 2HE HIS 89 1.132 -17.645 -14.189 698 H HIS 90 H HIS 90 2.166 -11.459 -13.297 699 HA HIS 90 HA HIS 90 3.220 -13.207 -11.238 700 1HB HIS 90 2HB HIS 90 4.268 -10.492 -11.697 701 2HB HIS 90 1HB HIS 90 3.769 -10.805 -10.039 702 HD1 HIS 90 1HD HIS 90 6.692 -10.888 -11.981 703 HD2 HIS 90 2HD HIS 90 5.004 -13.520 -9.231 704 HE1 HIS 90 1HE HIS 90 8.582 -12.336 -11.174 705 HE2 HIS 90 2HE HIS 90 7.578 -13.773 -9.371 706 H HIS 91 H HIS 91 1.224 -13.769 -10.512 707 HA HIS 91 HA HIS 91 -0.567 -11.609 -9.632 708 1HB HIS 91 2HB HIS 91 -1.372 -13.720 -10.916 709 2HB HIS 91 1HB HIS 91 -1.128 -14.566 -9.393 710 HD1 HIS 91 1HD HIS 91 -3.707 -13.018 -11.249 711 HD2 HIS 91 2HD HIS 91 -2.672 -13.049 -7.216 712 HE1 HIS 91 1HE HIS 91 -5.782 -12.318 -10.007 713 HE2 HIS 91 2HE HIS 91 -5.180 -12.503 -7.565 714 H HIS 92 H HIS 92 1.131 -14.482 -8.512 715 HA HIS 92 HA HIS 92 2.408 -13.158 -6.439 716 1HB HIS 92 2HB HIS 92 1.463 -14.349 -4.448 717 2HB HIS 92 1HB HIS 92 0.417 -13.115 -5.123 718 HD1 HIS 92 1HD HIS 92 -1.918 -13.778 -5.453 719 HD2 HIS 92 2HD HIS 92 0.589 -17.075 -5.208 720 HE1 HIS 92 1HE HIS 92 -3.439 -15.778 -5.441 721 HE2 HIS 92 2HE HIS 92 -1.904 -17.722 -4.977 722 H HIS 93 H HIS 93 4.226 -14.205 -6.120 723 HA HIS 93 HA HIS 93 4.506 -17.040 -6.252 724 1HB HIS 93 2HB HIS 93 4.087 -16.546 -8.642 725 2HB HIS 93 1HB HIS 93 5.426 -15.407 -8.637 726 HD1 HIS 93 1HD HIS 93 7.825 -16.395 -8.697 727 HD2 HIS 93 2HD HIS 93 4.793 -19.239 -8.796 728 HE1 HIS 93 1HE HIS 93 8.931 -18.540 -9.393 729 HE2 HIS 93 2HE HIS 93 7.027 -20.157 -9.715 730 H HIS 94 H HIS 94 6.536 -17.654 -5.519 731 HA HIS 94 HA HIS 94 8.426 -15.448 -5.021 732 1HB HIS 94 2HB HIS 94 7.301 -17.402 -3.222 733 2HB HIS 94 1HB HIS 94 9.053 -17.575 -3.284 734 HD1 HIS 94 1HD HIS 94 10.096 -16.294 -1.451 735 HD2 HIS 94 2HD HIS 94 6.758 -14.341 -2.985 736 HE1 HIS 94 1HE HIS 94 9.922 -14.142 -0.170 737 HE2 HIS 94 2HE HIS 94 8.051 -12.878 -1.280 Start of MODEL 11 1 1H MET 1 1HT MET 1 -0.704 19.137 6.320 2 2H MET 1 2HT MET 1 -0.380 18.806 7.951 3 3H MET 1 3HT MET 1 -0.672 17.532 6.868 4 HA MET 1 HA MET 1 1.329 17.967 5.687 5 1HB MET 1 2HB MET 1 1.317 20.420 5.963 6 2HB MET 1 1HB MET 1 1.720 20.224 7.665 7 1HG MET 1 2HG MET 1 3.822 19.078 6.951 8 2HG MET 1 1HG MET 1 3.430 19.524 5.292 9 1HE MET 1 1HE MET 1 4.400 20.823 8.867 10 2HE MET 1 2HE MET 1 2.836 21.590 8.597 11 3HE MET 1 3HE MET 1 4.299 22.573 8.657 12 H TYR 2 H TYR 2 2.804 16.500 6.207 13 HA TYR 2 HA TYR 2 3.474 16.133 9.059 14 1HB TYR 2 2HB TYR 2 3.329 14.071 6.847 15 2HB TYR 2 1HB TYR 2 4.102 13.768 8.400 16 HD1 TYR 2 1HD TYR 2 2.513 14.476 10.473 17 HD2 TYR 2 2HD TYR 2 1.171 13.279 6.617 18 HE1 TYR 2 1HE TYR 2 0.355 13.811 11.439 19 HE2 TYR 2 2HE TYR 2 -0.997 12.619 7.574 20 HH TYR 2 HH TYR 2 -1.856 11.880 9.867 21 H THR 3 H THR 3 5.647 16.090 9.587 22 HA THR 3 HA THR 3 7.390 17.117 7.455 23 HB THR 3 HB THR 3 8.817 18.003 9.216 24 HG1 THR 3 1HG THR 3 6.987 16.687 10.967 25 1HG2 THR 3 1HG2 THR 3 5.907 18.638 9.707 26 2HG2 THR 3 2HG2 THR 3 6.940 19.385 8.489 27 3HG2 THR 3 3HG2 THR 3 7.273 19.637 10.202 28 H ALA 4 H ALA 4 9.876 16.606 8.346 29 HA ALA 4 HA ALA 4 10.351 13.995 7.469 30 1HB ALA 4 1HB ALA 4 12.020 15.781 7.370 31 2HB ALA 4 2HB ALA 4 12.660 14.348 8.178 32 3HB ALA 4 3HB ALA 4 12.160 15.748 9.127 33 H GLU 5 H GLU 5 9.904 15.260 10.710 34 HA GLU 5 HA GLU 5 10.764 13.053 12.205 35 1HB GLU 5 2HB GLU 5 10.006 15.441 12.922 36 2HB GLU 5 1HB GLU 5 8.403 14.728 13.002 37 1HG GLU 5 2HG GLU 5 10.666 13.431 14.430 38 2HG GLU 5 1HG GLU 5 9.905 14.862 15.107 39 H GLN 6 H GLN 6 7.521 13.881 10.993 40 HA GLN 6 HA GLN 6 6.349 11.427 11.818 41 1HB GLN 6 2HB GLN 6 5.438 13.552 9.887 42 2HB GLN 6 1HB GLN 6 4.487 12.118 10.229 43 1HG GLN 6 2HG GLN 6 3.577 13.725 11.619 44 2HG GLN 6 1HG GLN 6 4.656 12.828 12.686 45 1HE2 GLN 6 1HE2 GLN 6 4.854 14.538 14.112 46 2HE2 GLN 6 2HE2 GLN 6 5.757 15.964 13.735 47 H LYS 7 H LYS 7 7.778 12.562 8.799 48 HA LYS 7 HA LYS 7 7.076 10.452 7.120 49 1HB LYS 7 2HB LYS 7 9.582 12.128 7.212 50 2HB LYS 7 1HB LYS 7 9.256 10.963 5.937 51 1HG LYS 7 2HG LYS 7 7.246 12.198 5.314 52 2HG LYS 7 1HG LYS 7 7.563 13.364 6.604 53 1HD LYS 7 2HD LYS 7 9.643 14.016 5.547 54 2HD LYS 7 1HD LYS 7 9.434 12.780 4.305 55 1HE LYS 7 2HE LYS 7 7.416 13.914 3.519 56 2HE LYS 7 1HE LYS 7 7.618 15.144 4.768 57 1HZ LYS 7 1HZ LYS 7 8.450 15.791 2.534 58 2HZ LYS 7 2HZ LYS 7 9.640 14.586 2.663 59 3HZ LYS 7 3HZ LYS 7 9.622 15.885 3.757 60 H ALA 8 H ALA 8 9.721 10.718 9.437 61 HA ALA 8 HA ALA 8 11.033 8.316 8.796 62 1HB ALA 8 1HB ALA 8 12.044 10.040 10.204 63 2HB ALA 8 2HB ALA 8 12.035 8.480 11.027 64 3HB ALA 8 3HB ALA 8 10.857 9.719 11.467 65 H ARG 9 H ARG 9 8.481 9.050 11.139 66 HA ARG 9 HA ARG 9 8.264 6.471 12.233 67 1HB ARG 9 2HB ARG 9 6.194 8.661 12.028 68 2HB ARG 9 1HB ARG 9 6.029 7.220 13.020 69 1HG ARG 9 2HG ARG 9 8.079 7.913 14.253 70 2HG ARG 9 1HG ARG 9 8.061 9.418 13.330 71 1HD ARG 9 2HD ARG 9 7.009 9.679 15.533 72 2HD ARG 9 1HD ARG 9 5.870 9.967 14.217 73 HE ARG 9 HE ARG 9 5.685 7.270 14.943 74 1HH1 ARG 9 1HH1 ARG 9 5.037 10.426 16.337 75 2HH1 ARG 9 2HH1 ARG 9 3.736 9.849 17.344 76 1HH2 ARG 9 1HH2 ARG 9 3.960 6.522 16.237 77 2HH2 ARG 9 2HH2 ARG 9 3.116 7.628 17.288 78 H ILE 10 H ILE 10 6.706 7.976 9.452 79 HA ILE 10 HA ILE 10 4.893 5.889 8.881 80 HB ILE 10 HB ILE 10 6.191 7.854 6.979 81 1HG1 ILE 10 2HG1 ILE 10 3.476 7.927 8.321 82 2HG1 ILE 10 1HG1 ILE 10 4.872 8.878 8.821 83 1HG2 ILE 10 1HG2 ILE 10 4.328 7.349 5.477 84 2HG2 ILE 10 2HG2 ILE 10 3.750 6.121 6.604 85 3HG2 ILE 10 3HG2 ILE 10 5.306 5.917 5.799 86 1HD1 ILE 10 1HD1 ILE 10 3.323 10.204 7.507 87 2HD1 ILE 10 2HD1 ILE 10 3.462 9.072 6.163 88 3HD1 ILE 10 3HD1 ILE 10 4.859 10.025 6.665 89 H LYS 11 H LYS 11 8.200 6.544 7.789 90 HA LYS 11 HA LYS 11 8.422 4.356 6.035 91 1HB LYS 11 2HB LYS 11 9.967 6.309 6.083 92 2HB LYS 11 1HB LYS 11 10.636 5.706 7.594 93 1HG LYS 11 2HG LYS 11 11.417 3.694 6.469 94 2HG LYS 11 1HG LYS 11 10.701 4.253 4.956 95 1HD LYS 11 2HD LYS 11 12.185 6.228 5.019 96 2HD LYS 11 1HD LYS 11 12.931 5.595 6.488 97 1HE LYS 11 2HE LYS 11 13.662 3.610 5.267 98 2HE LYS 11 1HE LYS 11 12.900 4.221 3.799 99 1HZ LYS 11 1HZ LYS 11 15.219 4.702 3.712 100 2HZ LYS 11 2HZ LYS 11 15.201 5.415 5.251 101 3HZ LYS 11 3HZ LYS 11 14.402 6.167 3.956 102 H TRP 12 H TRP 12 9.015 4.668 9.502 103 HA TRP 12 HA TRP 12 10.221 2.161 9.922 104 1HB TRP 12 2HB TRP 12 8.754 4.085 11.679 105 2HB TRP 12 1HB TRP 12 9.151 2.488 12.295 106 HD1 TRP 12 HD TRP 12 11.181 5.253 10.435 107 HE1 TRP 12 1HE TRP 12 13.446 5.494 11.636 108 HE3 TRP 12 3HE TRP 12 10.530 1.714 14.046 109 HZ2 TRP 12 2HZ TRP 12 14.779 4.315 13.837 110 HZ3 TRP 12 3HZ TRP 12 12.348 1.323 15.664 111 HH2 TRP 12 HH TRP 12 14.427 2.599 15.559 112 H ALA 13 H ALA 13 6.911 3.053 9.396 113 HA ALA 13 HA ALA 13 5.879 0.520 10.343 114 1HB ALA 13 1HB ALA 13 4.461 2.733 8.866 115 2HB ALA 13 2HB ALA 13 4.559 2.570 10.620 116 3HB ALA 13 3HB ALA 13 3.703 1.357 9.666 117 H CYS 14 H CYS 14 6.822 1.995 7.332 118 HA CYS 14 HA CYS 14 5.524 0.101 5.634 119 1HB CYS 14 2HB CYS 14 7.866 1.913 5.015 120 2HB CYS 14 1HB CYS 14 6.827 1.113 3.841 121 HG CYS 14 HG CYS 14 5.659 3.431 6.069 122 H ARG 15 H ARG 15 8.864 0.506 6.780 123 HA ARG 15 HA ARG 15 9.499 -2.152 5.744 124 1HB ARG 15 2HB ARG 15 11.862 -1.554 6.350 125 2HB ARG 15 1HB ARG 15 11.138 -0.539 5.117 126 1HG ARG 15 2HG ARG 15 12.247 0.985 6.427 127 2HG ARG 15 1HG ARG 15 10.612 1.060 7.084 128 1HD ARG 15 2HD ARG 15 11.249 -0.390 8.914 129 2HD ARG 15 1HD ARG 15 12.859 -0.597 8.226 130 HE ARG 15 HE ARG 15 11.868 2.020 9.151 131 1HH1 ARG 15 1HH1 ARG 15 14.353 -0.434 8.969 132 2HH1 ARG 15 2HH1 ARG 15 15.462 0.431 9.986 133 1HH2 ARG 15 1HH2 ARG 15 13.357 3.190 10.449 134 2HH2 ARG 15 2HH2 ARG 15 14.916 2.501 10.795 135 H ARG 16 H ARG 16 11.368 -3.087 7.452 136 HA ARG 16 HA ARG 16 11.720 -4.150 9.429 137 1HB ARG 16 2HB ARG 16 11.309 -1.976 10.548 138 2HB ARG 16 1HB ARG 16 9.592 -2.341 10.599 139 1HG ARG 16 2HG ARG 16 10.125 -4.344 11.976 140 2HG ARG 16 1HG ARG 16 11.802 -3.803 12.022 141 1HD ARG 16 2HD ARG 16 10.715 -3.084 14.031 142 2HD ARG 16 1HD ARG 16 11.029 -1.669 13.028 143 HE ARG 16 HE ARG 16 8.425 -2.685 12.526 144 1HH1 ARG 16 1HH1 ARG 16 10.260 -0.942 14.953 145 2HH1 ARG 16 2HH1 ARG 16 8.877 -0.064 15.545 146 1HH2 ARG 16 1HH2 ARG 16 6.604 -1.522 13.307 147 2HH2 ARG 16 2HH2 ARG 16 6.815 -0.385 14.602 148 H GLY 17 H GLY 17 8.343 -3.576 8.584 149 1HA GLY 17 2HA GLY 17 7.507 -6.124 9.691 150 2HA GLY 17 1HA GLY 17 6.491 -4.957 8.859 151 H MET 18 H MET 18 5.880 -5.422 6.846 152 HA MET 18 HA MET 18 6.965 -7.847 5.651 153 1HB MET 18 2HB MET 18 4.521 -7.618 5.920 154 2HB MET 18 1HB MET 18 4.549 -6.215 4.861 155 1HG MET 18 2HG MET 18 3.806 -8.168 3.658 156 2HG MET 18 1HG MET 18 5.354 -7.610 3.029 157 1HE MET 18 1HE MET 18 4.563 -9.653 6.294 158 2HE MET 18 2HE MET 18 4.809 -11.309 5.736 159 3HE MET 18 3HE MET 18 3.471 -10.348 5.099 160 H LEU 19 H LEU 19 8.842 -7.308 4.643 161 HA LEU 19 HA LEU 19 9.153 -4.956 3.048 162 1HB LEU 19 2HB LEU 19 10.818 -7.442 3.388 163 2HB LEU 19 1HB LEU 19 11.285 -6.118 2.347 164 HG LEU 19 HG LEU 19 10.886 -5.949 5.333 165 1HD1 LEU 19 1HD1 LEU 19 12.889 -7.189 4.710 166 2HD1 LEU 19 2HD1 LEU 19 13.303 -5.625 5.413 167 3HD1 LEU 19 3HD1 LEU 19 13.396 -5.860 3.667 168 1HD2 LEU 19 1HD2 LEU 19 11.826 -3.865 3.364 169 2HD2 LEU 19 2HD2 LEU 19 11.795 -3.686 5.117 170 3HD2 LEU 19 3HD2 LEU 19 10.286 -3.862 4.223 171 H GLU 20 H GLU 20 8.018 -8.144 2.522 172 HA GLU 20 HA GLU 20 8.369 -8.424 -0.239 173 1HB GLU 20 2HB GLU 20 7.543 -10.162 1.396 174 2HB GLU 20 1HB GLU 20 5.978 -9.363 1.349 175 1HG GLU 20 2HG GLU 20 5.775 -9.839 -1.016 176 2HG GLU 20 1HG GLU 20 7.376 -10.578 -1.026 177 H LEU 21 H LEU 21 6.073 -6.568 1.623 178 HA LEU 21 HA LEU 21 4.565 -5.845 -0.767 179 1HB LEU 21 2HB LEU 21 4.124 -5.590 2.159 180 2HB LEU 21 1HB LEU 21 3.398 -4.369 1.134 181 HG LEU 21 HG LEU 21 1.816 -6.159 1.640 182 1HD1 LEU 21 1HD1 LEU 21 1.118 -6.672 -0.643 183 2HD1 LEU 21 2HD1 LEU 21 2.694 -6.159 -1.243 184 3HD1 LEU 21 3HD1 LEU 21 1.615 -4.988 -0.485 185 1HD2 LEU 21 1HD2 LEU 21 3.378 -8.004 1.937 186 2HD2 LEU 21 2HD2 LEU 21 3.767 -7.968 0.218 187 3HD2 LEU 21 3HD2 LEU 21 2.145 -8.415 0.746 188 H ASP 22 H ASP 22 7.024 -4.607 1.315 189 HA ASP 22 HA ASP 22 6.872 -1.862 0.931 190 1HB ASP 22 2HB ASP 22 8.494 -2.892 2.452 191 2HB ASP 22 1HB ASP 22 9.351 -3.603 1.090 192 H VAL 23 H VAL 23 8.089 -4.364 -1.178 193 HA VAL 23 HA VAL 23 9.428 -2.851 -3.085 194 HB VAL 23 HB VAL 23 7.843 -5.376 -3.586 195 1HG1 VAL 23 1HG1 VAL 23 8.517 -4.275 -5.641 196 2HG1 VAL 23 2HG1 VAL 23 9.453 -5.750 -5.401 197 3HG1 VAL 23 3HG1 VAL 23 10.181 -4.178 -5.067 198 1HG2 VAL 23 1HG2 VAL 23 9.936 -6.570 -3.131 199 2HG2 VAL 23 2HG2 VAL 23 9.379 -5.672 -1.718 200 3HG2 VAL 23 3HG2 VAL 23 10.708 -5.046 -2.696 201 H VAL 24 H VAL 24 5.967 -3.432 -2.722 202 HA VAL 24 HA VAL 24 5.516 -2.061 -5.275 203 HB VAL 24 HB VAL 24 4.485 -4.268 -5.141 204 1HG1 VAL 24 1HG1 VAL 24 4.165 -4.395 -2.721 205 2HG1 VAL 24 2HG1 VAL 24 2.675 -4.753 -3.596 206 3HG1 VAL 24 3HG1 VAL 24 2.892 -3.180 -2.827 207 1HG2 VAL 24 1HG2 VAL 24 2.457 -2.040 -5.063 208 2HG2 VAL 24 2HG2 VAL 24 2.193 -3.647 -5.743 209 3HG2 VAL 24 3HG2 VAL 24 3.378 -2.561 -6.472 210 H ILE 25 H ILE 25 4.826 -1.898 -1.838 211 HA ILE 25 HA ILE 25 2.791 0.079 -2.047 212 HB ILE 25 HB ILE 25 4.476 -0.757 0.316 213 1HG1 ILE 25 2HG1 ILE 25 1.614 -1.364 -0.469 214 2HG1 ILE 25 1HG1 ILE 25 2.968 -2.486 -0.543 215 1HG2 ILE 25 1HG2 ILE 25 3.739 1.527 0.659 216 2HG2 ILE 25 2HG2 ILE 25 2.836 0.436 1.713 217 3HG2 ILE 25 3HG2 ILE 25 2.083 1.077 0.253 218 1HD1 ILE 25 1HD1 ILE 25 1.847 -1.256 1.961 219 2HD1 ILE 25 2HD1 ILE 25 3.184 -2.402 1.876 220 3HD1 ILE 25 3HD1 ILE 25 1.562 -2.903 1.397 221 H MET 26 H MET 26 6.282 0.286 -1.342 222 HA MET 26 HA MET 26 6.269 2.984 -0.593 223 1HB MET 26 2HB MET 26 8.429 1.173 -1.612 224 2HB MET 26 1HB MET 26 8.751 2.875 -1.309 225 1HG MET 26 2HG MET 26 7.687 0.925 0.721 226 2HG MET 26 1HG MET 26 9.369 1.438 0.577 227 1HE MET 26 1HE MET 26 8.960 4.515 -0.215 228 2HE MET 26 2HE MET 26 10.163 3.998 0.968 229 3HE MET 26 3HE MET 26 9.034 5.296 1.362 230 HA PRO 27 HA PRO 27 7.572 4.139 -5.169 231 1HB PRO 27 2HB PRO 27 6.233 1.897 -6.595 232 2HB PRO 27 1HB PRO 27 7.746 2.726 -6.977 233 1HG PRO 27 2HG PRO 27 7.784 0.287 -5.939 234 2HG PRO 27 1HG PRO 27 8.956 1.508 -5.402 235 1HD PRO 27 2HD PRO 27 6.468 0.537 -4.045 236 2HD PRO 27 1HD PRO 27 8.059 0.916 -3.349 237 H PHE 28 H PHE 28 4.561 2.321 -4.652 238 HA PHE 28 HA PHE 28 2.938 4.088 -6.176 239 1HB PHE 28 2HB PHE 28 2.177 1.830 -5.753 240 2HB PHE 28 1HB PHE 28 2.212 2.102 -4.013 241 HD1 PHE 28 2HD PHE 28 0.711 3.664 -7.054 242 HD2 PHE 28 1HD PHE 28 0.206 2.499 -2.990 243 HE1 PHE 28 2HE PHE 28 -1.620 4.445 -7.123 244 HE2 PHE 28 1HE PHE 28 -2.125 3.273 -3.055 245 HZ PHE 28 HZ PHE 28 -3.038 4.249 -5.122 246 H PHE 29 H PHE 29 3.734 3.829 -2.746 247 HA PHE 29 HA PHE 29 1.998 5.781 -1.756 248 1HB PHE 29 2HB PHE 29 3.237 4.212 -0.329 249 2HB PHE 29 1HB PHE 29 4.748 5.002 -0.759 250 HD1 PHE 29 2HD PHE 29 1.451 5.690 0.819 251 HD2 PHE 29 1HD PHE 29 5.571 6.715 0.554 252 HE1 PHE 29 2HE PHE 29 1.187 7.231 2.719 253 HE2 PHE 29 1HE PHE 29 5.313 8.261 2.449 254 HZ PHE 29 HZ PHE 29 3.121 8.520 3.534 255 H GLU 30 H GLU 30 5.281 6.066 -3.042 256 HA GLU 30 HA GLU 30 5.757 8.753 -2.541 257 1HB GLU 30 2HB GLU 30 6.528 7.149 -4.982 258 2HB GLU 30 1HB GLU 30 7.265 8.665 -4.487 259 1HG GLU 30 2HG GLU 30 7.866 7.536 -2.341 260 2HG GLU 30 1HG GLU 30 7.374 6.023 -3.086 261 H GLU 31 H GLU 31 4.113 7.247 -5.240 262 HA GLU 31 HA GLU 31 3.608 9.726 -6.596 263 1HB GLU 31 2HB GLU 31 2.332 7.034 -7.099 264 2HB GLU 31 1HB GLU 31 2.398 8.394 -8.211 265 1HG GLU 31 2HG GLU 31 4.883 8.187 -8.205 266 2HG GLU 31 1HG GLU 31 4.702 6.711 -7.261 267 H CYS 32 H CYS 32 1.718 7.565 -4.543 268 HA CYS 32 HA CYS 32 -0.750 8.959 -5.108 269 1HB CYS 32 2HB CYS 32 -0.649 6.497 -4.773 270 2HB CYS 32 1HB CYS 32 -0.219 6.773 -3.088 271 HG CYS 32 HG CYS 32 -2.701 8.308 -2.754 272 H PHE 33 H PHE 33 1.726 9.159 -2.727 273 HA PHE 33 HA PHE 33 0.404 10.073 -0.474 274 1HB PHE 33 2HB PHE 33 2.748 9.568 -0.421 275 2HB PHE 33 1HB PHE 33 3.105 10.796 -1.619 276 HD1 PHE 33 2HD PHE 33 3.205 13.152 -0.989 277 HD2 PHE 33 1HD PHE 33 2.414 10.119 1.892 278 HE1 PHE 33 2HE PHE 33 3.725 14.737 0.816 279 HE2 PHE 33 1HE PHE 33 2.942 11.699 3.702 280 HZ PHE 33 HZ PHE 33 3.597 14.011 3.165 281 H ASP 34 H ASP 34 1.673 12.016 -3.163 282 HA ASP 34 HA ASP 34 0.675 14.490 -2.186 283 1HB ASP 34 2HB ASP 34 2.528 14.477 -3.721 284 2HB ASP 34 1HB ASP 34 1.588 13.608 -4.929 285 H SER 35 H SER 35 -0.749 11.885 -3.895 286 HA SER 35 HA SER 35 -2.742 13.437 -5.269 287 1HB SER 35 2HB SER 35 -1.702 11.288 -6.122 288 2HB SER 35 1HB SER 35 -2.652 10.436 -4.908 289 HG SER 35 HG SER 35 -3.572 11.961 -7.119 290 H LEU 36 H LEU 36 -2.445 11.949 -2.180 291 HA LEU 36 HA LEU 36 -5.348 11.837 -1.802 292 1HB LEU 36 2HB LEU 36 -3.119 10.973 0.044 293 2HB LEU 36 1HB LEU 36 -4.832 10.733 0.329 294 HG LEU 36 HG LEU 36 -3.181 9.457 -1.849 295 1HD1 LEU 36 1HD1 LEU 36 -3.649 7.382 -0.645 296 2HD1 LEU 36 2HD1 LEU 36 -4.510 8.291 0.598 297 3HD1 LEU 36 3HD1 LEU 36 -2.776 8.529 0.372 298 1HD2 LEU 36 1HD2 LEU 36 -5.200 8.196 -2.400 299 2HD2 LEU 36 2HD2 LEU 36 -5.455 9.925 -2.629 300 3HD2 LEU 36 3HD2 LEU 36 -6.112 9.118 -1.205 301 H THR 37 H THR 37 -6.371 12.889 -0.033 302 HA THR 37 HA THR 37 -5.131 15.376 0.789 303 HB THR 37 HB THR 37 -7.257 15.743 2.041 304 HG1 THR 37 1HG THR 37 -8.100 13.309 0.803 305 1HG2 THR 37 1HG2 THR 37 -8.699 15.979 0.072 306 2HG2 THR 37 2HG2 THR 37 -7.608 14.945 -0.852 307 3HG2 THR 37 3HG2 THR 37 -7.054 16.515 -0.269 308 H GLU 38 H GLU 38 -5.439 15.905 3.265 309 HA GLU 38 HA GLU 38 -3.494 14.379 4.556 310 1HB GLU 38 2HB GLU 38 -5.515 16.282 5.741 311 2HB GLU 38 1HB GLU 38 -4.118 15.645 6.599 312 1HG GLU 38 2HG GLU 38 -4.061 17.374 4.139 313 2HG GLU 38 1HG GLU 38 -3.689 17.878 5.786 314 H SER 39 H SER 39 -7.014 14.290 4.888 315 HA SER 39 HA SER 39 -7.073 12.467 7.037 316 1HB SER 39 2HB SER 39 -9.459 12.040 5.876 317 2HB SER 39 1HB SER 39 -9.110 13.472 6.843 318 HG SER 39 HG SER 39 -9.856 14.339 5.029 319 H GLU 40 H GLU 40 -7.293 11.970 3.516 320 HA GLU 40 HA GLU 40 -7.579 9.158 3.623 321 1HB GLU 40 2HB GLU 40 -6.362 10.862 1.437 322 2HB GLU 40 1HB GLU 40 -6.899 9.196 1.262 323 1HG GLU 40 2HG GLU 40 -9.172 9.809 1.573 324 2HG GLU 40 1HG GLU 40 -8.726 11.445 2.057 325 H GLN 41 H GLN 41 -4.786 11.277 3.389 326 HA GLN 41 HA GLN 41 -2.728 9.502 3.124 327 1HB GLN 41 2HB GLN 41 -2.627 11.936 2.942 328 2HB GLN 41 1HB GLN 41 -2.978 12.092 4.656 329 1HG GLN 41 2HG GLN 41 -0.884 10.821 5.068 330 2HG GLN 41 1HG GLN 41 -0.530 11.031 3.358 331 1HE2 GLN 41 1HE2 GLN 41 -2.215 13.374 5.297 332 2HE2 GLN 41 2HE2 GLN 41 -0.990 14.596 5.265 333 H ASP 42 H ASP 42 -4.286 10.756 6.049 334 HA ASP 42 HA ASP 42 -2.600 9.388 7.885 335 1HB ASP 42 2HB ASP 42 -3.907 11.467 8.369 336 2HB ASP 42 1HB ASP 42 -5.371 10.497 8.357 337 H ASP 43 H ASP 43 -5.682 8.667 6.389 338 HA ASP 43 HA ASP 43 -6.395 6.415 7.931 339 1HB ASP 43 2HB ASP 43 -7.826 7.716 6.247 340 2HB ASP 43 1HB ASP 43 -7.032 6.760 5.002 341 H PHE 44 H PHE 44 -4.517 6.746 4.950 342 HA PHE 44 HA PHE 44 -4.031 3.998 4.547 343 1HB PHE 44 2HB PHE 44 -3.731 5.773 2.819 344 2HB PHE 44 1HB PHE 44 -2.309 6.337 3.691 345 HD1 PHE 44 1HD PHE 44 -3.729 3.492 1.812 346 HD2 PHE 44 2HD PHE 44 -0.213 5.279 3.414 347 HE1 PHE 44 1HE PHE 44 -2.347 1.893 0.551 348 HE2 PHE 44 2HE PHE 44 1.174 3.679 2.159 349 HZ PHE 44 HZ PHE 44 0.107 1.986 0.724 350 H VAL 45 H VAL 45 -2.191 6.533 6.222 351 HA VAL 45 HA VAL 45 0.018 4.968 6.952 352 HB VAL 45 HB VAL 45 -1.187 7.338 8.398 353 1HG1 VAL 45 1HG1 VAL 45 0.984 7.571 9.498 354 2HG1 VAL 45 2HG1 VAL 45 1.566 6.120 8.683 355 3HG1 VAL 45 3HG1 VAL 45 0.275 6.000 9.878 356 1HG2 VAL 45 1HG2 VAL 45 -0.484 7.838 6.114 357 2HG2 VAL 45 2HG2 VAL 45 1.104 7.144 6.447 358 3HG2 VAL 45 3HG2 VAL 45 0.588 8.604 7.286 359 H ALA 46 H ALA 46 -3.112 5.435 8.497 360 HA ALA 46 HA ALA 46 -2.650 4.096 10.904 361 1HB ALA 46 1HB ALA 46 -4.668 5.384 10.479 362 2HB ALA 46 2HB ALA 46 -5.077 3.741 10.976 363 3HB ALA 46 3HB ALA 46 -5.188 4.203 9.277 364 H LEU 47 H LEU 47 -3.544 2.861 7.725 365 HA LEU 47 HA LEU 47 -3.933 0.167 8.460 366 1HB LEU 47 2HB LEU 47 -4.570 1.362 6.288 367 2HB LEU 47 1HB LEU 47 -2.908 1.132 5.793 368 HG LEU 47 HG LEU 47 -4.711 -1.176 6.517 369 1HD1 LEU 47 1HD1 LEU 47 -5.081 -1.476 4.129 370 2HD1 LEU 47 2HD1 LEU 47 -4.190 0.009 3.797 371 3HD1 LEU 47 3HD1 LEU 47 -5.716 0.075 4.679 372 1HD2 LEU 47 1HD2 LEU 47 -2.344 -1.713 6.537 373 2HD2 LEU 47 2HD2 LEU 47 -2.144 -0.996 4.938 374 3HD2 LEU 47 3HD2 LEU 47 -3.118 -2.453 5.136 375 H LEU 48 H LEU 48 -1.069 1.996 7.552 376 HA LEU 48 HA LEU 48 0.643 -0.170 7.033 377 1HB LEU 48 2HB LEU 48 1.315 2.625 7.945 378 2HB LEU 48 1HB LEU 48 2.466 1.474 7.295 379 HG LEU 48 HG LEU 48 0.117 2.630 5.783 380 1HD1 LEU 48 1HD1 LEU 48 1.832 4.302 6.205 381 2HD1 LEU 48 2HD1 LEU 48 1.829 3.833 4.505 382 3HD1 LEU 48 3HD1 LEU 48 3.070 3.208 5.591 383 1HD2 LEU 48 1HD2 LEU 48 0.712 0.364 5.065 384 2HD2 LEU 48 2HD2 LEU 48 2.387 0.875 4.851 385 3HD2 LEU 48 3HD2 LEU 48 1.118 1.564 3.838 386 H GLU 49 H GLU 49 -0.390 1.202 10.046 387 HA GLU 49 HA GLU 49 1.813 0.102 11.542 388 1HB GLU 49 2HB GLU 49 -0.805 1.313 12.412 389 2HB GLU 49 1HB GLU 49 0.398 0.699 13.538 390 1HG GLU 49 2HG GLU 49 2.004 2.313 12.295 391 2HG GLU 49 1HG GLU 49 0.513 3.092 11.759 392 H SER 50 H SER 50 -0.992 -1.156 10.189 393 HA SER 50 HA SER 50 -1.250 -3.262 12.208 394 1HB SER 50 2HB SER 50 -3.274 -2.013 11.274 395 2HB SER 50 1HB SER 50 -2.976 -2.861 9.758 396 HG SER 50 HG SER 50 -3.801 -3.877 12.251 397 H ASP 51 H ASP 51 -2.047 -5.394 10.779 398 HA ASP 51 HA ASP 51 0.363 -6.183 9.375 399 1HB ASP 51 2HB ASP 51 -2.105 -7.774 10.120 400 2HB ASP 51 1HB ASP 51 -0.648 -8.448 9.398 401 H ASP 52 H ASP 52 -0.129 -7.706 7.381 402 HA ASP 52 HA ASP 52 -2.085 -6.296 5.683 403 1HB ASP 52 2HB ASP 52 -0.530 -6.717 3.792 404 2HB ASP 52 1HB ASP 52 0.164 -5.693 5.043 405 HA PRO 53 HA PRO 53 -2.904 -10.899 5.246 406 1HB PRO 53 2HB PRO 53 -5.144 -10.914 7.025 407 2HB PRO 53 1HB PRO 53 -3.601 -11.742 7.232 408 1HG PRO 53 2HG PRO 53 -4.494 -9.652 8.813 409 2HG PRO 53 1HG PRO 53 -2.802 -10.148 8.640 410 1HD PRO 53 2HD PRO 53 -4.268 -7.909 7.304 411 2HD PRO 53 1HD PRO 53 -2.606 -7.958 7.932 412 H ASP 54 H ASP 54 -5.525 -8.689 6.178 413 HA ASP 54 HA ASP 54 -7.361 -9.406 4.207 414 1HB ASP 54 2HB ASP 54 -7.009 -6.672 5.467 415 2HB ASP 54 1HB ASP 54 -8.473 -7.299 4.718 416 H LEU 55 H LEU 55 -4.808 -6.979 4.238 417 HA LEU 55 HA LEU 55 -5.344 -5.742 1.792 418 1HB LEU 55 2HB LEU 55 -3.744 -4.967 3.562 419 2HB LEU 55 1HB LEU 55 -2.636 -6.218 3.043 420 HG LEU 55 HG LEU 55 -3.569 -4.150 1.075 421 1HD1 LEU 55 1HD1 LEU 55 -1.650 -2.760 1.689 422 2HD1 LEU 55 2HD1 LEU 55 -1.308 -3.830 3.048 423 3HD1 LEU 55 3HD1 LEU 55 -2.802 -2.893 3.019 424 1HD2 LEU 55 1HD2 LEU 55 -1.363 -4.585 0.091 425 2HD2 LEU 55 2HD2 LEU 55 -2.306 -6.068 0.236 426 3HD2 LEU 55 3HD2 LEU 55 -1.012 -5.730 1.386 427 H PHE 56 H PHE 56 -3.166 -8.457 2.543 428 HA PHE 56 HA PHE 56 -2.309 -8.971 -0.073 429 1HB PHE 56 2HB PHE 56 -1.284 -9.903 2.007 430 2HB PHE 56 1HB PHE 56 -2.675 -10.962 2.180 431 HD1 PHE 56 2HD PHE 56 0.210 -10.176 0.020 432 HD2 PHE 56 1HD PHE 56 -2.800 -13.004 1.024 433 HE1 PHE 56 2HE PHE 56 1.340 -11.865 -1.367 434 HE2 PHE 56 1HE PHE 56 -1.682 -14.699 -0.364 435 HZ PHE 56 HZ PHE 56 0.391 -14.131 -1.560 436 H ALA 57 H ALA 57 -5.126 -10.061 1.720 437 HA ALA 57 HA ALA 57 -5.991 -12.013 -0.132 438 1HB ALA 57 1HB ALA 57 -6.705 -12.007 2.201 439 2HB ALA 57 2HB ALA 57 -8.091 -11.982 1.110 440 3HB ALA 57 3HB ALA 57 -7.589 -10.505 1.931 441 H TRP 58 H TRP 58 -6.799 -8.571 0.264 442 HA TRP 58 HA TRP 58 -8.808 -8.558 -1.730 443 1HB TRP 58 2HB TRP 58 -7.223 -6.398 -0.393 444 2HB TRP 58 1HB TRP 58 -8.234 -6.016 -1.785 445 HD1 TRP 58 HD TRP 58 -8.647 -7.767 1.637 446 HE1 TRP 58 1HE TRP 58 -10.978 -7.199 2.559 447 HE3 TRP 58 3HE TRP 58 -10.413 -5.029 -2.292 448 HZ2 TRP 58 2HZ TRP 58 -13.270 -5.781 1.727 449 HZ3 TRP 58 3HZ TRP 58 -12.691 -4.096 -2.149 450 HH2 TRP 58 HH TRP 58 -14.086 -4.468 -0.184 451 H VAL 59 H VAL 59 -5.323 -8.112 -1.829 452 HA VAL 59 HA VAL 59 -5.102 -7.211 -4.485 453 HB VAL 59 HB VAL 59 -3.166 -8.923 -2.909 454 1HG1 VAL 59 1HG1 VAL 59 -2.722 -7.294 -5.410 455 2HG1 VAL 59 2HG1 VAL 59 -2.697 -9.053 -5.291 456 3HG1 VAL 59 3HG1 VAL 59 -1.462 -8.099 -4.472 457 1HG2 VAL 59 1HG2 VAL 59 -2.011 -6.814 -2.458 458 2HG2 VAL 59 2HG2 VAL 59 -3.655 -6.799 -1.822 459 3HG2 VAL 59 3HG2 VAL 59 -3.279 -5.936 -3.314 460 H MET 60 H MET 60 -5.447 -10.430 -3.113 461 HA MET 60 HA MET 60 -5.198 -11.691 -5.717 462 1HB MET 60 2HB MET 60 -5.839 -12.863 -3.005 463 2HB MET 60 1HB MET 60 -5.610 -13.800 -4.477 464 1HG MET 60 2HG MET 60 -3.556 -12.125 -3.047 465 2HG MET 60 1HG MET 60 -3.603 -13.882 -3.181 466 1HE MET 60 1HE MET 60 -1.001 -12.196 -3.864 467 2HE MET 60 2HE MET 60 -0.482 -12.993 -5.348 468 3HE MET 60 3HE MET 60 -1.106 -13.950 -4.005 469 H GLY 61 H GLY 61 -7.669 -10.412 -3.734 470 1HA GLY 61 2HA GLY 61 -9.819 -9.913 -4.543 471 2HA GLY 61 1HA GLY 61 -9.614 -11.140 -5.783 472 H HIS 62 H HIS 62 -8.840 -11.912 -2.512 473 HA HIS 62 HA HIS 62 -11.261 -13.600 -2.379 474 1HB HIS 62 2HB HIS 62 -9.125 -14.853 -2.593 475 2HB HIS 62 1HB HIS 62 -8.539 -14.077 -1.128 476 HD1 HIS 62 1HD HIS 62 -9.077 -15.192 1.050 477 HD2 HIS 62 2HD HIS 62 -11.360 -16.659 -2.111 478 HE1 HIS 62 1HE HIS 62 -10.308 -17.181 1.966 479 HE2 HIS 62 2HE HIS 62 -11.584 -18.135 0.013 480 H GLY 63 H GLY 63 -10.003 -10.835 -1.186 481 1HA GLY 63 2HA GLY 63 -10.340 -11.389 1.645 482 2HA GLY 63 1HA GLY 63 -9.706 -9.912 0.938 483 H ARG 64 H ARG 64 -11.463 -9.959 3.015 484 HA ARG 64 HA ARG 64 -13.585 -8.313 1.913 485 1HB ARG 64 2HB ARG 64 -15.250 -9.437 3.479 486 2HB ARG 64 1HB ARG 64 -14.792 -10.358 2.053 487 1HG ARG 64 2HG ARG 64 -13.095 -11.526 3.521 488 2HG ARG 64 1HG ARG 64 -13.912 -10.772 4.892 489 1HD ARG 64 2HD ARG 64 -15.965 -11.890 4.365 490 2HD ARG 64 1HD ARG 64 -15.305 -12.493 2.843 491 HE ARG 64 HE ARG 64 -14.070 -13.292 5.390 492 1HH1 ARG 64 1HH1 ARG 64 -15.951 -14.166 2.554 493 2HH1 ARG 64 2HH1 ARG 64 -15.633 -15.868 2.719 494 1HH2 ARG 64 1HH2 ARG 64 -13.659 -15.525 5.595 495 2HH2 ARG 64 2HH2 ARG 64 -14.281 -16.632 4.406 496 H CYS 65 H CYS 65 -14.067 -6.594 3.311 497 HA CYS 65 HA CYS 65 -12.525 -6.565 5.818 498 1HB CYS 65 2HB CYS 65 -11.288 -5.423 3.949 499 2HB CYS 65 1HB CYS 65 -12.613 -4.269 3.849 500 HG CYS 65 HG CYS 65 -10.224 -3.311 5.213 501 H GLU 66 H GLU 66 -13.101 -4.547 7.130 502 HA GLU 66 HA GLU 66 -15.978 -4.566 7.458 503 1HB GLU 66 2HB GLU 66 -13.842 -3.213 9.113 504 2HB GLU 66 1HB GLU 66 -15.523 -3.429 9.569 505 1HG GLU 66 2HG GLU 66 -13.492 -5.613 9.170 506 2HG GLU 66 1HG GLU 66 -14.110 -5.020 10.711 507 H ASN 67 H ASN 67 -13.394 -2.230 6.785 508 HA ASN 67 HA ASN 67 -15.487 -0.276 6.108 509 1HB ASN 67 2HB ASN 67 -13.909 1.518 6.693 510 2HB ASN 67 1HB ASN 67 -14.238 0.472 8.067 511 1HD2 ASN 67 1HD2 ASN 67 -11.990 2.257 7.520 512 2HD2 ASN 67 2HD2 ASN 67 -10.574 1.270 7.619 513 H LEU 68 H LEU 68 -15.480 0.595 4.142 514 HA LEU 68 HA LEU 68 -13.808 -0.672 2.188 515 1HB LEU 68 2HB LEU 68 -15.936 1.435 1.949 516 2HB LEU 68 1HB LEU 68 -15.072 0.769 0.579 517 HG LEU 68 HG LEU 68 -16.922 -0.708 2.450 518 1HD1 LEU 68 1HD1 LEU 68 -18.221 -1.089 0.416 519 2HD1 LEU 68 2HD1 LEU 68 -17.059 -0.132 -0.504 520 3HD1 LEU 68 3HD1 LEU 68 -18.033 0.633 0.752 521 1HD2 LEU 68 1HD2 LEU 68 -16.485 -2.688 1.079 522 2HD2 LEU 68 2HD2 LEU 68 -15.027 -2.137 1.905 523 3HD2 LEU 68 3HD2 LEU 68 -15.249 -1.797 0.189 524 H GLY 69 H GLY 69 -13.604 2.227 3.977 525 1HA GLY 69 2HA GLY 69 -12.193 3.885 2.216 526 2HA GLY 69 1HA GLY 69 -12.040 3.914 3.969 527 H LEU 70 H LEU 70 -10.930 1.527 4.567 528 HA LEU 70 HA LEU 70 -8.235 1.789 3.693 529 1HB LEU 70 2HB LEU 70 -9.666 -0.278 5.347 530 2HB LEU 70 1HB LEU 70 -7.963 -0.413 4.952 531 HG LEU 70 HG LEU 70 -9.225 1.847 6.516 532 1HD1 LEU 70 1HD1 LEU 70 -9.154 -0.263 7.749 533 2HD1 LEU 70 2HD1 LEU 70 -8.011 0.908 8.407 534 3HD1 LEU 70 3HD1 LEU 70 -7.433 -0.414 7.393 535 1HD2 LEU 70 1HD2 LEU 70 -6.339 1.273 5.854 536 2HD2 LEU 70 2HD2 LEU 70 -6.920 2.552 6.919 537 3HD2 LEU 70 3HD2 LEU 70 -7.312 2.591 5.200 538 H ALA 71 H ALA 71 -10.933 -0.203 2.748 539 HA ALA 71 HA ALA 71 -9.498 -2.132 1.258 540 1HB ALA 71 1HB ALA 71 -12.337 -1.186 0.886 541 2HB ALA 71 2HB ALA 71 -11.811 -2.459 1.987 542 3HB ALA 71 3HB ALA 71 -11.641 -2.676 0.245 543 H ALA 72 H ALA 72 -10.839 1.026 0.458 544 HA ALA 72 HA ALA 72 -10.361 0.899 -2.327 545 1HB ALA 72 1HB ALA 72 -10.671 3.304 -2.316 546 2HB ALA 72 2HB ALA 72 -10.496 3.340 -0.562 547 3HB ALA 72 3HB ALA 72 -11.879 2.526 -1.293 548 H MET 73 H MET 73 -8.335 1.650 0.411 549 HA MET 73 HA MET 73 -6.179 2.831 -0.984 550 1HB MET 73 2HB MET 73 -6.115 1.163 1.542 551 2HB MET 73 1HB MET 73 -4.806 2.182 0.963 552 1HG MET 73 2HG MET 73 -7.525 3.094 1.867 553 2HG MET 73 1HG MET 73 -6.009 3.270 2.747 554 1HE MET 73 1HE MET 73 -6.364 5.818 3.111 555 2HE MET 73 2HE MET 73 -7.927 5.717 2.300 556 3HE MET 73 3HE MET 73 -6.768 6.961 1.829 557 H VAL 74 H VAL 74 -6.891 -0.512 -0.070 558 HA VAL 74 HA VAL 74 -4.596 -1.675 -1.240 559 HB VAL 74 HB VAL 74 -7.279 -3.003 -0.810 560 1HG1 VAL 74 1HG1 VAL 74 -5.952 -5.053 -0.624 561 2HG1 VAL 74 2HG1 VAL 74 -4.488 -4.132 -0.970 562 3HG1 VAL 74 3HG1 VAL 74 -5.746 -4.283 -2.197 563 1HG2 VAL 74 1HG2 VAL 74 -4.970 -2.735 1.121 564 2HG2 VAL 74 2HG2 VAL 74 -6.439 -3.672 1.391 565 3HG2 VAL 74 3HG2 VAL 74 -6.528 -1.917 1.252 566 H ASP 75 H ASP 75 -7.819 -0.951 -2.442 567 HA ASP 75 HA ASP 75 -7.803 -2.237 -4.900 568 1HB ASP 75 2HB ASP 75 -9.788 -1.137 -4.071 569 2HB ASP 75 1HB ASP 75 -8.986 0.428 -4.088 570 H LYS 76 H LYS 76 -6.519 0.949 -4.050 571 HA LYS 76 HA LYS 76 -5.671 1.614 -6.668 572 1HB LYS 76 2HB LYS 76 -4.642 2.655 -4.024 573 2HB LYS 76 1HB LYS 76 -4.410 3.414 -5.594 574 1HG LYS 76 2HG LYS 76 -6.894 3.619 -5.770 575 2HG LYS 76 1HG LYS 76 -6.995 3.058 -4.100 576 1HD LYS 76 2HD LYS 76 -5.600 4.951 -3.396 577 2HD LYS 76 1HD LYS 76 -5.543 5.520 -5.066 578 1HE LYS 76 2HE LYS 76 -7.948 5.319 -3.264 579 2HE LYS 76 1HE LYS 76 -7.225 6.778 -3.939 580 1HZ LYS 76 1HZ LYS 76 -7.810 5.866 -6.179 581 2HZ LYS 76 2HZ LYS 76 -9.139 6.291 -5.218 582 3HZ LYS 76 3HZ LYS 76 -8.710 4.661 -5.394 583 H ILE 77 H ILE 77 -4.129 -0.013 -3.964 584 HA ILE 77 HA ILE 77 -1.526 -0.171 -5.033 585 HB ILE 77 HB ILE 77 -2.918 -2.119 -3.180 586 1HG1 ILE 77 2HG1 ILE 77 -1.075 0.207 -2.578 587 2HG1 ILE 77 1HG1 ILE 77 -2.816 0.198 -2.324 588 1HG2 ILE 77 1HG2 ILE 77 0.023 -1.746 -3.757 589 2HG2 ILE 77 2HG2 ILE 77 -0.964 -3.127 -4.233 590 3HG2 ILE 77 3HG2 ILE 77 -0.655 -2.813 -2.525 591 1HD1 ILE 77 1HD1 ILE 77 -0.826 -1.577 -0.933 592 2HD1 ILE 77 2HD1 ILE 77 -2.570 -1.586 -0.678 593 3HD1 ILE 77 3HD1 ILE 77 -1.621 -0.162 -0.244 594 H VAL 78 H VAL 78 -4.338 -2.310 -5.297 595 HA VAL 78 HA VAL 78 -3.131 -4.334 -6.832 596 HB VAL 78 HB VAL 78 -6.021 -3.446 -6.850 597 1HG1 VAL 78 1HG1 VAL 78 -6.511 -5.716 -7.649 598 2HG1 VAL 78 2HG1 VAL 78 -4.782 -6.052 -7.743 599 3HG1 VAL 78 3HG1 VAL 78 -5.500 -4.827 -8.790 600 1HG2 VAL 78 1HG2 VAL 78 -4.639 -5.580 -5.224 601 2HG2 VAL 78 2HG2 VAL 78 -6.371 -5.247 -5.228 602 3HG2 VAL 78 3HG2 VAL 78 -5.242 -4.039 -4.616 603 H ALA 79 H ALA 79 -4.863 -1.385 -7.774 604 HA ALA 79 HA ALA 79 -4.807 -1.721 -10.544 605 1HB ALA 79 1HB ALA 79 -4.649 0.859 -8.987 606 2HB ALA 79 2HB ALA 79 -6.120 0.014 -9.468 607 3HB ALA 79 3HB ALA 79 -5.065 0.713 -10.696 608 H HIS 80 H HIS 80 -2.376 -0.299 -8.387 609 HA HIS 80 HA HIS 80 -0.573 0.435 -10.480 610 1HB HIS 80 2HB HIS 80 -0.729 1.271 -8.007 611 2HB HIS 80 1HB HIS 80 0.301 -0.114 -7.663 612 HD1 HIS 80 1HD HIS 80 2.771 0.031 -8.394 613 HD2 HIS 80 2HD HIS 80 0.488 3.338 -9.471 614 HE1 HIS 80 1HE HIS 80 4.420 1.806 -9.061 615 HE2 HIS 80 2HE HIS 80 3.021 3.866 -9.466 616 H ASN 81 H ASN 81 -0.971 -2.351 -8.394 617 HA ASN 81 HA ASN 81 1.361 -3.770 -9.023 618 1HB ASN 81 2HB ASN 81 -0.161 -4.347 -7.158 619 2HB ASN 81 1HB ASN 81 -1.365 -4.887 -8.322 620 1HD2 ASN 81 1HD2 ASN 81 -1.411 -6.991 -7.653 621 2HD2 ASN 81 2HD2 ASN 81 -0.089 -8.083 -7.853 622 H LEU 82 H LEU 82 -1.678 -3.463 -10.715 623 HA LEU 82 HA LEU 82 -1.567 -5.602 -12.468 624 1HB LEU 82 2HB LEU 82 -3.396 -3.880 -12.166 625 2HB LEU 82 1HB LEU 82 -2.472 -2.832 -13.216 626 HG LEU 82 HG LEU 82 -2.649 -4.500 -15.027 627 1HD1 LEU 82 1HD1 LEU 82 -4.448 -5.963 -13.099 628 2HD1 LEU 82 2HD1 LEU 82 -2.878 -6.512 -13.688 629 3HD1 LEU 82 3HD1 LEU 82 -4.234 -6.354 -14.804 630 1HD2 LEU 82 1HD2 LEU 82 -4.251 -2.678 -14.901 631 2HD2 LEU 82 2HD2 LEU 82 -5.284 -3.640 -13.842 632 3HD2 LEU 82 3HD2 LEU 82 -5.018 -4.143 -15.511 633 H SER 83 H SER 83 0.190 -2.583 -12.530 634 HA SER 83 HA SER 83 1.240 -2.796 -15.142 635 1HB SER 83 2HB SER 83 1.316 -0.722 -13.763 636 2HB SER 83 1HB SER 83 2.531 -1.482 -12.736 637 HG SER 83 HG SER 83 3.816 -0.544 -14.145 638 H LYS 84 H LYS 84 2.409 -3.997 -12.020 639 HA LYS 84 HA LYS 84 4.786 -5.187 -13.044 640 1HB LYS 84 2HB LYS 84 3.154 -5.697 -10.555 641 2HB LYS 84 1HB LYS 84 4.626 -6.589 -10.920 642 1HG LYS 84 2HG LYS 84 5.939 -4.595 -10.818 643 2HG LYS 84 1HG LYS 84 4.494 -3.592 -10.685 644 1HD LYS 84 2HD LYS 84 5.635 -3.905 -8.526 645 2HD LYS 84 1HD LYS 84 3.989 -4.535 -8.522 646 1HE LYS 84 2HE LYS 84 5.547 -6.052 -7.387 647 2HE LYS 84 1HE LYS 84 4.827 -6.800 -8.809 648 1HZ LYS 84 1HZ LYS 84 7.453 -5.465 -9.000 649 2HZ LYS 84 2HZ LYS 84 6.806 -6.705 -9.966 650 3HZ LYS 84 3HZ LYS 84 7.334 -7.045 -8.393 651 H VAL 85 H VAL 85 1.458 -6.171 -12.721 652 HA VAL 85 HA VAL 85 1.815 -8.927 -13.311 653 HB VAL 85 HB VAL 85 -0.626 -7.171 -13.648 654 1HG1 VAL 85 1HG1 VAL 85 -0.413 -10.178 -13.669 655 2HG1 VAL 85 2HG1 VAL 85 -0.825 -9.151 -15.043 656 3HG1 VAL 85 3HG1 VAL 85 -1.916 -9.255 -13.660 657 1HG2 VAL 85 1HG2 VAL 85 0.191 -7.304 -11.351 658 2HG2 VAL 85 2HG2 VAL 85 0.157 -9.065 -11.437 659 3HG2 VAL 85 3HG2 VAL 85 -1.347 -8.149 -11.530 660 H ARG 86 H ARG 86 1.172 -6.085 -15.313 661 HA ARG 86 HA ARG 86 0.858 -7.615 -17.722 662 1HB ARG 86 2HB ARG 86 0.613 -5.517 -18.843 663 2HB ARG 86 1HB ARG 86 -0.222 -5.397 -17.307 664 1HG ARG 86 2HG ARG 86 1.527 -4.075 -16.370 665 2HG ARG 86 1HG ARG 86 2.541 -4.331 -17.791 666 1HD ARG 86 2HD ARG 86 0.950 -3.115 -19.170 667 2HD ARG 86 1HD ARG 86 -0.118 -2.908 -17.783 668 HE ARG 86 HE ARG 86 1.489 -1.410 -16.830 669 1HH1 ARG 86 1HH1 ARG 86 2.203 -2.388 -20.118 670 2HH1 ARG 86 2HH1 ARG 86 3.151 -0.971 -20.472 671 1HH2 ARG 86 1HH2 ARG 86 2.745 0.461 -17.281 672 2HH2 ARG 86 2HH2 ARG 86 3.477 0.628 -18.851 673 H LEU 87 H LEU 87 3.484 -6.319 -15.976 674 HA LEU 87 HA LEU 87 5.281 -6.255 -18.244 675 1HB LEU 87 2HB LEU 87 5.483 -4.545 -16.542 676 2HB LEU 87 1HB LEU 87 5.709 -5.761 -15.299 677 HG LEU 87 HG LEU 87 7.817 -6.440 -16.413 678 1HD1 LEU 87 1HD1 LEU 87 8.806 -4.935 -18.071 679 2HD1 LEU 87 2HD1 LEU 87 7.313 -3.997 -18.102 680 3HD1 LEU 87 3HD1 LEU 87 7.316 -5.669 -18.663 681 1HD2 LEU 87 1HD2 LEU 87 7.634 -3.546 -15.601 682 2HD2 LEU 87 2HD2 LEU 87 9.114 -4.504 -15.668 683 3HD2 LEU 87 3HD2 LEU 87 7.845 -4.919 -14.516 684 H GLU 88 H GLU 88 5.068 -8.023 -15.158 685 HA GLU 88 HA GLU 88 7.254 -9.739 -15.883 686 1HB GLU 88 2HB GLU 88 5.366 -9.773 -13.526 687 2HB GLU 88 1HB GLU 88 6.739 -10.856 -13.711 688 1HG GLU 88 2HG GLU 88 8.274 -9.014 -13.656 689 2HG GLU 88 1HG GLU 88 6.946 -7.857 -13.650 690 H HIS 89 H HIS 89 7.028 -11.238 -17.321 691 HA HIS 89 HA HIS 89 6.339 -13.079 -18.439 692 1HB HIS 89 2HB HIS 89 6.007 -13.916 -16.037 693 2HB HIS 89 1HB HIS 89 4.292 -13.614 -16.296 694 HD1 HIS 89 1HD HIS 89 3.879 -16.197 -16.027 695 HD2 HIS 89 2HD HIS 89 6.232 -15.123 -19.288 696 HE1 HIS 89 1HE HIS 89 3.979 -18.238 -17.498 697 HE2 HIS 89 2HE HIS 89 5.526 -17.612 -19.390 698 H HIS 90 H HIS 90 4.774 -10.395 -18.298 699 HA HIS 90 HA HIS 90 3.422 -9.394 -19.809 700 1HB HIS 90 2HB HIS 90 3.127 -12.161 -20.973 701 2HB HIS 90 1HB HIS 90 2.421 -10.714 -21.682 702 HD1 HIS 90 1HD HIS 90 5.209 -12.801 -22.128 703 HD2 HIS 90 2HD HIS 90 4.702 -8.672 -22.028 704 HE1 HIS 90 1HE HIS 90 7.220 -11.840 -23.298 705 HE2 HIS 90 2HE HIS 90 6.966 -9.338 -23.088 706 H HIS 91 H HIS 91 1.997 -12.441 -18.597 707 HA HIS 91 HA HIS 91 -0.263 -11.008 -17.578 708 1HB HIS 91 2HB HIS 91 -1.999 -11.899 -18.969 709 2HB HIS 91 1HB HIS 91 -0.809 -11.155 -20.024 710 HD1 HIS 91 1HD HIS 91 -2.942 -13.507 -20.656 711 HD2 HIS 91 2HD HIS 91 1.179 -13.877 -20.205 712 HE1 HIS 91 1HE HIS 91 -2.307 -15.601 -21.903 713 HE2 HIS 91 2HE HIS 91 0.174 -15.860 -21.535 714 H HIS 92 H HIS 92 -1.949 -12.543 -16.693 715 HA HIS 92 HA HIS 92 -0.767 -15.143 -15.969 716 1HB HIS 92 2HB HIS 92 -2.233 -13.239 -14.132 717 2HB HIS 92 1HB HIS 92 -1.829 -14.898 -13.717 718 HD1 HIS 92 1HD HIS 92 -0.701 -11.692 -12.992 719 HD2 HIS 92 2HD HIS 92 1.237 -15.169 -14.183 720 HE1 HIS 92 1HE HIS 92 1.698 -11.406 -12.283 721 HE2 HIS 92 2HE HIS 92 2.782 -13.624 -12.793 722 H HIS 93 H HIS 93 -2.017 -16.689 -16.775 723 HA HIS 93 HA HIS 93 -4.764 -16.176 -17.496 724 1HB HIS 93 2HB HIS 93 -3.331 -17.509 -18.972 725 2HB HIS 93 1HB HIS 93 -3.086 -18.691 -17.693 726 HD1 HIS 93 1HD HIS 93 -5.609 -17.524 -20.207 727 HD2 HIS 93 2HD HIS 93 -5.177 -20.513 -17.341 728 HE1 HIS 93 1HE HIS 93 -7.475 -19.153 -20.632 729 HE2 HIS 93 2HE HIS 93 -7.192 -20.964 -18.905 730 H HIS 94 H HIS 94 -6.562 -16.851 -16.460 731 HA HIS 94 HA HIS 94 -6.210 -18.349 -13.950 732 1HB HIS 94 2HB HIS 94 -8.425 -16.555 -14.945 733 2HB HIS 94 1HB HIS 94 -8.643 -17.630 -13.569 734 HD1 HIS 94 1HD HIS 94 -9.081 -14.949 -12.729 735 HD2 HIS 94 2HD HIS 94 -5.199 -16.393 -13.090 736 HE1 HIS 94 1HE HIS 94 -7.663 -13.444 -11.298 737 HE2 HIS 94 2HE HIS 94 -5.385 -14.515 -11.322 Start of MODEL 12 1 1H MET 1 1HT MET 1 -2.283 18.221 4.546 2 2H MET 1 2HT MET 1 -2.040 16.627 5.067 3 3H MET 1 3HT MET 1 -0.838 17.420 4.179 4 HA MET 1 HA MET 1 -0.532 19.008 5.955 5 1HB MET 1 2HB MET 1 -2.615 17.306 7.312 6 2HB MET 1 1HB MET 1 -1.529 18.371 8.198 7 1HG MET 1 2HG MET 1 -2.382 20.280 6.935 8 2HG MET 1 1HG MET 1 -3.486 19.210 6.072 9 1HE MET 1 1HE MET 1 -5.742 21.365 8.522 10 2HE MET 1 2HE MET 1 -5.337 21.041 6.836 11 3HE MET 1 3HE MET 1 -4.200 21.911 7.863 12 H TYR 2 H TYR 2 -0.790 15.492 5.865 13 HA TYR 2 HA TYR 2 1.408 14.949 7.535 14 1HB TYR 2 2HB TYR 2 0.249 13.491 5.180 15 2HB TYR 2 1HB TYR 2 1.688 12.899 5.997 16 HD1 TYR 2 2HD TYR 2 1.533 12.471 8.504 17 HD2 TYR 2 1HD TYR 2 -1.896 12.971 6.038 18 HE1 TYR 2 2HE TYR 2 0.152 11.380 10.218 19 HE2 TYR 2 1HE TYR 2 -3.293 11.888 7.753 20 HH TYR 2 HH TYR 2 -2.960 10.266 9.679 21 H THR 3 H THR 3 3.255 15.904 7.367 22 HA THR 3 HA THR 3 4.143 17.031 4.851 23 HB THR 3 HB THR 3 5.885 18.098 6.361 24 HG1 THR 3 1HG THR 3 4.701 17.929 8.671 25 1HG2 THR 3 1HG2 THR 3 3.859 19.285 5.660 26 2HG2 THR 3 2HG2 THR 3 4.301 19.705 7.315 27 3HG2 THR 3 3HG2 THR 3 2.975 18.582 7.014 28 H ALA 4 H ALA 4 6.727 17.193 4.883 29 HA ALA 4 HA ALA 4 7.789 14.700 4.203 30 1HB ALA 4 1HB ALA 4 9.952 15.818 4.180 31 2HB ALA 4 2HB ALA 4 9.274 17.176 5.075 32 3HB ALA 4 3HB ALA 4 8.717 16.835 3.436 33 H GLU 5 H GLU 5 7.684 16.389 7.273 34 HA GLU 5 HA GLU 5 9.470 14.747 8.699 35 1HB GLU 5 2HB GLU 5 8.570 16.919 9.538 36 2HB GLU 5 1HB GLU 5 6.994 16.162 9.733 37 1HG GLU 5 2HG GLU 5 8.221 14.480 11.228 38 2HG GLU 5 1HG GLU 5 9.515 15.673 11.258 39 H GLN 6 H GLN 6 5.966 14.629 8.220 40 HA GLN 6 HA GLN 6 5.535 12.382 9.863 41 1HB GLN 6 2HB GLN 6 3.876 13.725 7.752 42 2HB GLN 6 1HB GLN 6 3.314 12.280 8.584 43 1HG GLN 6 2HG GLN 6 4.100 14.862 9.922 44 2HG GLN 6 1HG GLN 6 2.448 14.336 9.592 45 1HE2 GLN 6 1HE2 GLN 6 3.817 14.911 12.140 46 2HE2 GLN 6 2HE2 GLN 6 3.642 13.468 13.081 47 H LYS 7 H LYS 7 5.970 12.663 6.340 48 HA LYS 7 HA LYS 7 5.396 9.966 5.790 49 1HB LYS 7 2HB LYS 7 6.432 10.274 3.642 50 2HB LYS 7 1HB LYS 7 5.521 11.720 4.043 51 1HG LYS 7 2HG LYS 7 7.529 12.915 4.559 52 2HG LYS 7 1HG LYS 7 8.498 11.447 4.397 53 1HD LYS 7 2HD LYS 7 6.946 12.813 2.193 54 2HD LYS 7 1HD LYS 7 8.698 12.843 2.403 55 1HE LYS 7 2HE LYS 7 8.733 10.383 2.146 56 2HE LYS 7 1HE LYS 7 6.997 10.414 1.847 57 1HZ LYS 7 1HZ LYS 7 8.192 10.314 -0.223 58 2HZ LYS 7 2HZ LYS 7 9.092 11.697 0.176 59 3HZ LYS 7 3HZ LYS 7 7.425 11.823 -0.101 60 H ALA 8 H ALA 8 8.330 11.540 6.879 61 HA ALA 8 HA ALA 8 10.038 9.274 6.533 62 1HB ALA 8 1HB ALA 8 10.922 11.564 6.724 63 2HB ALA 8 2HB ALA 8 11.612 10.491 7.941 64 3HB ALA 8 3HB ALA 8 10.349 11.638 8.391 65 H ARG 9 H ARG 9 8.147 10.578 9.212 66 HA ARG 9 HA ARG 9 8.872 8.678 11.158 67 1HB ARG 9 2HB ARG 9 6.285 10.220 10.826 68 2HB ARG 9 1HB ARG 9 6.759 9.349 12.280 69 1HG ARG 9 2HG ARG 9 8.565 10.825 12.687 70 2HG ARG 9 1HG ARG 9 8.402 11.563 11.093 71 1HD ARG 9 2HD ARG 9 7.495 13.017 12.823 72 2HD ARG 9 1HD ARG 9 6.226 12.468 11.730 73 HE ARG 9 HE ARG 9 5.976 10.686 13.661 74 1HH1 ARG 9 1HH1 ARG 9 6.430 14.162 13.880 75 2HH1 ARG 9 2HH1 ARG 9 5.603 14.285 15.406 76 1HH2 ARG 9 1HH2 ARG 9 4.870 10.851 15.622 77 2HH2 ARG 9 2HH2 ARG 9 4.694 12.406 16.396 78 H ILE 10 H ILE 10 6.493 8.668 8.599 79 HA ILE 10 HA ILE 10 5.203 6.240 9.232 80 HB ILE 10 HB ILE 10 5.593 7.597 6.558 81 1HG1 ILE 10 2HG1 ILE 10 3.208 7.478 8.417 82 2HG1 ILE 10 1HG1 ILE 10 4.280 8.860 8.230 83 1HG2 ILE 10 1HG2 ILE 10 5.192 5.225 6.209 84 2HG2 ILE 10 2HG2 ILE 10 3.774 6.163 5.742 85 3HG2 ILE 10 3HG2 ILE 10 3.787 5.289 7.273 86 1HD1 ILE 10 1HD1 ILE 10 2.526 7.691 6.087 87 2HD1 ILE 10 2HD1 ILE 10 3.594 9.081 5.903 88 3HD1 ILE 10 3HD1 ILE 10 2.213 9.169 6.998 89 H LYS 11 H LYS 11 8.051 6.972 7.233 90 HA LYS 11 HA LYS 11 8.526 4.412 6.240 91 1HB LYS 11 2HB LYS 11 9.744 6.759 5.843 92 2HB LYS 11 1HB LYS 11 10.889 6.072 6.985 93 1HG LYS 11 2HG LYS 11 10.023 4.707 4.439 94 2HG LYS 11 1HG LYS 11 11.467 5.706 4.584 95 1HD LYS 11 2HD LYS 11 12.528 4.175 5.996 96 2HD LYS 11 1HD LYS 11 11.015 3.377 6.420 97 1HE LYS 11 2HE LYS 11 12.239 1.924 4.968 98 2HE LYS 11 1HE LYS 11 10.863 2.559 4.070 99 1HZ LYS 11 1HZ LYS 11 12.829 2.596 2.706 100 2HZ LYS 11 2HZ LYS 11 13.680 3.489 3.868 101 3HZ LYS 11 3HZ LYS 11 12.371 4.194 3.051 102 H TRP 12 H TRP 12 9.379 5.826 9.367 103 HA TRP 12 HA TRP 12 11.013 3.769 10.334 104 1HB TRP 12 2HB TRP 12 9.112 5.596 11.791 105 2HB TRP 12 1HB TRP 12 10.118 4.434 12.624 106 HD1 TRP 12 HD TRP 12 10.378 7.718 10.634 107 HE1 TRP 12 1HE TRP 12 12.672 8.776 11.161 108 HE3 TRP 12 3HE TRP 12 12.361 3.918 13.328 109 HZ2 TRP 12 2HZ TRP 12 15.032 8.052 12.558 110 HZ3 TRP 12 3HZ TRP 12 14.646 4.145 14.244 111 HH2 TRP 12 HH TRP 12 15.953 6.178 13.864 112 H ALA 13 H ALA 13 7.523 3.938 10.025 113 HA ALA 13 HA ALA 13 7.265 1.294 11.282 114 1HB ALA 13 1HB ALA 13 5.138 3.331 10.620 115 2HB ALA 13 2HB ALA 13 5.835 3.050 12.215 116 3HB ALA 13 3HB ALA 13 4.871 1.793 11.440 117 H CYS 14 H CYS 14 8.421 1.444 8.749 118 HA CYS 14 HA CYS 14 6.667 1.137 6.585 119 1HB CYS 14 2HB CYS 14 8.656 -0.133 5.568 120 2HB CYS 14 1HB CYS 14 8.915 1.542 6.043 121 HG CYS 14 HG CYS 14 10.577 1.116 8.043 122 H ARG 15 H ARG 15 7.577 -1.049 9.089 123 HA ARG 15 HA ARG 15 6.718 -3.039 9.748 124 1HB ARG 15 2HB ARG 15 4.961 -2.794 7.305 125 2HB ARG 15 1HB ARG 15 4.830 -4.079 8.496 126 1HG ARG 15 2HG ARG 15 4.426 -1.138 9.007 127 2HG ARG 15 1HG ARG 15 3.162 -2.363 8.877 128 1HD ARG 15 2HD ARG 15 4.026 -3.497 10.838 129 2HD ARG 15 1HD ARG 15 5.359 -2.350 10.942 130 HE ARG 15 HE ARG 15 2.987 -0.894 11.007 131 1HH1 ARG 15 1HH1 ARG 15 4.600 -3.319 12.951 132 2HH1 ARG 15 2HH1 ARG 15 3.987 -2.712 14.458 133 1HH2 ARG 15 1HH2 ARG 15 2.207 -0.070 12.995 134 2HH2 ARG 15 2HH2 ARG 15 2.620 -0.860 14.483 135 H ARG 16 H ARG 16 6.681 -5.359 9.135 136 HA ARG 16 HA ARG 16 8.663 -5.872 7.008 137 1HB ARG 16 2HB ARG 16 8.451 -7.428 9.584 138 2HB ARG 16 1HB ARG 16 9.730 -7.515 8.384 139 1HG ARG 16 2HG ARG 16 9.147 -5.154 10.168 140 2HG ARG 16 1HG ARG 16 10.449 -6.328 10.384 141 1HD ARG 16 2HD ARG 16 11.531 -5.619 8.398 142 2HD ARG 16 1HD ARG 16 10.138 -4.656 7.904 143 HE ARG 16 HE ARG 16 11.006 -3.692 10.377 144 1HH1 ARG 16 1HH1 ARG 16 12.164 -3.889 7.081 145 2HH1 ARG 16 2HH1 ARG 16 13.131 -2.453 7.203 146 1HH2 ARG 16 1HH2 ARG 16 12.260 -1.797 10.533 147 2HH2 ARG 16 2HH2 ARG 16 13.175 -1.264 9.157 148 H GLY 17 H GLY 17 7.606 -6.893 5.436 149 1HA GLY 17 2HA GLY 17 5.910 -9.177 6.199 150 2HA GLY 17 1HA GLY 17 5.336 -8.000 5.024 151 H MET 18 H MET 18 7.208 -7.572 3.286 152 HA MET 18 HA MET 18 8.660 -9.911 2.494 153 1HB MET 18 2HB MET 18 6.433 -10.643 1.836 154 2HB MET 18 1HB MET 18 6.155 -9.136 0.981 155 1HG MET 18 2HG MET 18 6.655 -11.010 -0.513 156 2HG MET 18 1HG MET 18 7.820 -9.695 -0.656 157 1HE MET 18 1HE MET 18 9.432 -11.408 -1.991 158 2HE MET 18 2HE MET 18 8.238 -12.686 -1.774 159 3HE MET 18 3HE MET 18 9.922 -12.969 -1.331 160 H LEU 19 H LEU 19 10.183 -9.424 0.931 161 HA LEU 19 HA LEU 19 10.939 -6.743 0.657 162 1HB LEU 19 2HB LEU 19 11.772 -9.122 -1.000 163 2HB LEU 19 1HB LEU 19 12.612 -7.590 -0.923 164 HG LEU 19 HG LEU 19 12.292 -9.559 1.338 165 1HD1 LEU 19 1HD1 LEU 19 13.901 -10.258 -0.352 166 2HD1 LEU 19 2HD1 LEU 19 14.712 -9.804 1.147 167 3HD1 LEU 19 3HD1 LEU 19 14.720 -8.700 -0.228 168 1HD2 LEU 19 1HD2 LEU 19 12.235 -7.283 2.184 169 2HD2 LEU 19 2HD2 LEU 19 13.695 -6.892 1.277 170 3HD2 LEU 19 3HD2 LEU 19 13.764 -8.058 2.598 171 H GLU 20 H GLU 20 9.168 -8.893 -1.504 172 HA GLU 20 HA GLU 20 9.009 -7.161 -3.718 173 1HB GLU 20 2HB GLU 20 7.235 -9.390 -2.750 174 2HB GLU 20 1HB GLU 20 6.905 -8.502 -4.231 175 1HG GLU 20 2HG GLU 20 9.427 -10.033 -3.653 176 2HG GLU 20 1HG GLU 20 8.078 -10.610 -4.625 177 H LEU 21 H LEU 21 7.013 -7.552 -0.853 178 HA LEU 21 HA LEU 21 4.882 -5.896 -1.730 179 1HB LEU 21 2HB LEU 21 4.923 -7.755 0.073 180 2HB LEU 21 1HB LEU 21 5.531 -6.511 1.144 181 HG LEU 21 HG LEU 21 2.992 -5.969 -0.326 182 1HD1 LEU 21 1HD1 LEU 21 1.714 -7.113 1.417 183 2HD1 LEU 21 2HD1 LEU 21 3.213 -7.743 2.102 184 3HD1 LEU 21 3HD1 LEU 21 2.699 -8.246 0.491 185 1HD2 LEU 21 1HD2 LEU 21 2.446 -4.822 1.768 186 2HD2 LEU 21 2HD2 LEU 21 3.972 -4.242 1.094 187 3HD2 LEU 21 3HD2 LEU 21 3.978 -5.359 2.459 188 H ASP 22 H ASP 22 7.793 -5.374 0.176 189 HA ASP 22 HA ASP 22 7.285 -2.826 1.183 190 1HB ASP 22 2HB ASP 22 9.184 -4.131 1.932 191 2HB ASP 22 1HB ASP 22 9.900 -4.083 0.325 192 H VAL 23 H VAL 23 8.676 -3.788 -1.924 193 HA VAL 23 HA VAL 23 9.319 -1.189 -2.824 194 HB VAL 23 HB VAL 23 8.726 -3.633 -4.505 195 1HG1 VAL 23 1HG1 VAL 23 8.760 -1.590 -5.820 196 2HG1 VAL 23 2HG1 VAL 23 10.187 -2.567 -6.164 197 3HG1 VAL 23 3HG1 VAL 23 10.319 -1.149 -5.123 198 1HG2 VAL 23 1HG2 VAL 23 10.428 -4.129 -2.853 199 2HG2 VAL 23 2HG2 VAL 23 11.326 -2.683 -3.314 200 3HG2 VAL 23 3HG2 VAL 23 11.151 -4.014 -4.458 201 H VAL 24 H VAL 24 6.342 -2.912 -2.675 202 HA VAL 24 HA VAL 24 5.080 -1.161 -4.643 203 HB VAL 24 HB VAL 24 3.701 -3.304 -3.027 204 1HG1 VAL 24 1HG1 VAL 24 2.174 -3.368 -4.940 205 2HG1 VAL 24 2HG1 VAL 24 3.117 -2.106 -5.735 206 3HG1 VAL 24 3HG1 VAL 24 2.256 -1.752 -4.238 207 1HG2 VAL 24 1HG2 VAL 24 4.125 -4.858 -4.858 208 2HG2 VAL 24 2HG2 VAL 24 5.632 -4.324 -4.113 209 3HG2 VAL 24 3HG2 VAL 24 5.125 -3.650 -5.662 210 H ILE 25 H ILE 25 5.937 -0.887 -1.516 211 HA ILE 25 HA ILE 25 3.479 0.497 -0.690 212 HB ILE 25 HB ILE 25 5.846 -0.394 0.965 213 1HG1 ILE 25 2HG1 ILE 25 4.371 -2.225 0.270 214 2HG1 ILE 25 1HG1 ILE 25 4.242 -1.936 2.000 215 1HG2 ILE 25 1HG2 ILE 25 3.334 1.042 1.820 216 2HG2 ILE 25 2HG2 ILE 25 4.980 1.674 1.865 217 3HG2 ILE 25 3HG2 ILE 25 4.522 0.333 2.915 218 1HD1 ILE 25 1HD1 ILE 25 2.156 -0.739 1.659 219 2HD1 ILE 25 2HD1 ILE 25 2.070 -2.372 0.996 220 3HD1 ILE 25 3HD1 ILE 25 2.288 -0.992 -0.082 221 H MET 26 H MET 26 7.007 0.998 -0.329 222 HA MET 26 HA MET 26 6.610 3.681 0.494 223 1HB MET 26 2HB MET 26 8.516 2.258 1.221 224 2HB MET 26 1HB MET 26 9.194 2.411 -0.395 225 1HG MET 26 2HG MET 26 10.230 3.943 1.209 226 2HG MET 26 1HG MET 26 9.436 4.789 -0.118 227 1HE MET 26 1HE MET 26 8.979 3.612 3.640 228 2HE MET 26 2HE MET 26 7.520 3.074 2.809 229 3HE MET 26 3HE MET 26 7.426 4.357 4.015 230 HA PRO 27 HA PRO 27 8.315 4.980 -3.866 231 1HB PRO 27 2HB PRO 27 7.729 2.568 -5.482 232 2HB PRO 27 1HB PRO 27 9.143 3.628 -5.511 233 1HG PRO 27 2HG PRO 27 9.284 1.174 -4.467 234 2HG PRO 27 1HG PRO 27 10.165 2.535 -3.748 235 1HD PRO 27 2HD PRO 27 7.606 1.253 -2.859 236 2HD PRO 27 1HD PRO 27 8.981 1.816 -1.885 237 H PHE 28 H PHE 28 5.646 2.726 -3.505 238 HA PHE 28 HA PHE 28 3.960 3.934 -5.450 239 1HB PHE 28 2HB PHE 28 3.499 1.666 -4.762 240 2HB PHE 28 1HB PHE 28 3.323 2.165 -3.082 241 HD1 PHE 28 1HD PHE 28 1.858 2.812 -6.446 242 HD2 PHE 28 2HD PHE 28 1.215 2.559 -2.245 243 HE1 PHE 28 1HE PHE 28 -0.554 3.166 -6.794 244 HE2 PHE 28 2HE PHE 28 -1.192 2.913 -2.585 245 HZ PHE 28 HZ PHE 28 -2.077 3.216 -4.862 246 H PHE 29 H PHE 29 4.495 4.407 -2.006 247 HA PHE 29 HA PHE 29 2.376 6.123 -1.427 248 1HB PHE 29 2HB PHE 29 3.888 5.183 0.283 249 2HB PHE 29 1HB PHE 29 5.193 6.204 -0.313 250 HD1 PHE 29 1HD PHE 29 1.863 6.265 1.298 251 HD2 PHE 29 2HD PHE 29 5.427 8.422 0.429 252 HE1 PHE 29 1HE PHE 29 1.155 8.045 2.841 253 HE2 PHE 29 2HE PHE 29 4.722 10.209 1.967 254 HZ PHE 29 HZ PHE 29 2.585 10.022 3.175 255 H GLU 30 H GLU 30 5.554 6.801 -2.805 256 HA GLU 30 HA GLU 30 5.466 9.568 -2.899 257 1HB GLU 30 2HB GLU 30 6.608 7.676 -4.959 258 2HB GLU 30 1HB GLU 30 7.053 9.350 -4.741 259 1HG GLU 30 2HG GLU 30 7.425 7.224 -2.714 260 2HG GLU 30 1HG GLU 30 8.672 7.815 -3.787 261 H GLU 31 H GLU 31 4.240 7.211 -5.235 262 HA GLU 31 HA GLU 31 3.207 9.130 -7.073 263 1HB GLU 31 2HB GLU 31 2.219 6.302 -6.728 264 2HB GLU 31 1HB GLU 31 2.175 7.285 -8.181 265 1HG GLU 31 2HG GLU 31 4.608 7.165 -8.342 266 2HG GLU 31 1HG GLU 31 4.655 6.186 -6.876 267 H CYS 32 H CYS 32 1.721 7.114 -4.570 268 HA CYS 32 HA CYS 32 -0.940 7.863 -5.203 269 1HB CYS 32 2HB CYS 32 -0.176 5.712 -4.120 270 2HB CYS 32 1HB CYS 32 0.030 6.625 -2.629 271 HG CYS 32 HG CYS 32 -2.363 5.059 -2.656 272 H PHE 33 H PHE 33 1.443 9.100 -2.951 273 HA PHE 33 HA PHE 33 -0.160 10.420 -1.119 274 1HB PHE 33 2HB PHE 33 2.204 10.237 -0.756 275 2HB PHE 33 1HB PHE 33 2.558 11.159 -2.210 276 HD1 PHE 33 1HD PHE 33 1.057 11.408 1.169 277 HD2 PHE 33 2HD PHE 33 2.776 13.481 -2.124 278 HE1 PHE 33 1HE PHE 33 1.129 13.468 2.509 279 HE2 PHE 33 2HE PHE 33 2.855 15.545 -0.789 280 HZ PHE 33 HZ PHE 33 2.029 15.540 1.531 281 H ASP 34 H ASP 34 0.783 11.432 -4.354 282 HA ASP 34 HA ASP 34 -0.091 14.123 -4.103 283 1HB ASP 34 2HB ASP 34 1.515 13.327 -5.839 284 2HB ASP 34 1HB ASP 34 0.188 12.490 -6.638 285 H SER 35 H SER 35 -1.756 11.173 -4.539 286 HA SER 35 HA SER 35 -4.163 12.564 -5.498 287 1HB SER 35 2HB SER 35 -3.585 9.592 -5.475 288 2HB SER 35 1HB SER 35 -4.967 10.390 -6.225 289 HG SER 35 HG SER 35 -2.243 10.494 -6.982 290 H LEU 36 H LEU 36 -2.770 11.449 -2.696 291 HA LEU 36 HA LEU 36 -5.217 10.447 -1.487 292 1HB LEU 36 2HB LEU 36 -2.394 10.726 -0.486 293 2HB LEU 36 1HB LEU 36 -3.717 10.265 0.565 294 HG LEU 36 HG LEU 36 -2.815 8.720 -1.869 295 1HD1 LEU 36 1HD1 LEU 36 -2.429 8.167 1.072 296 2HD1 LEU 36 2HD1 LEU 36 -1.172 8.657 -0.062 297 3HD1 LEU 36 3HD1 LEU 36 -1.969 7.095 -0.251 298 1HD2 LEU 36 1HD2 LEU 36 -4.868 8.105 0.254 299 2HD2 LEU 36 2HD2 LEU 36 -4.311 6.972 -0.978 300 3HD2 LEU 36 3HD2 LEU 36 -5.183 8.432 -1.450 301 H THR 37 H THR 37 -6.394 11.444 0.046 302 HA THR 37 HA THR 37 -5.626 14.185 0.783 303 HB THR 37 HB THR 37 -8.020 14.443 1.459 304 HG1 THR 37 1HG THR 37 -8.861 12.277 -0.040 305 1HG2 THR 37 1HG2 THR 37 -8.925 14.563 -0.828 306 2HG2 THR 37 2HG2 THR 37 -7.558 13.611 -1.409 307 3HG2 THR 37 3HG2 THR 37 -7.289 15.219 -0.735 308 H GLU 38 H GLU 38 -6.283 14.793 3.078 309 HA GLU 38 HA GLU 38 -4.943 13.202 4.936 310 1HB GLU 38 2HB GLU 38 -7.062 15.321 5.300 311 2HB GLU 38 1HB GLU 38 -6.231 14.568 6.654 312 1HG GLU 38 2HG GLU 38 -4.849 16.050 4.432 313 2HG GLU 38 1HG GLU 38 -5.305 16.760 5.979 314 H SER 39 H SER 39 -8.357 13.310 4.101 315 HA SER 39 HA SER 39 -9.402 11.715 6.115 316 1HB SER 39 2HB SER 39 -10.335 11.686 3.248 317 2HB SER 39 1HB SER 39 -11.299 11.486 4.709 318 HG SER 39 HG SER 39 -10.807 13.718 3.412 319 H GLU 40 H GLU 40 -8.195 10.744 2.903 320 HA GLU 40 HA GLU 40 -8.503 7.949 3.395 321 1HB GLU 40 2HB GLU 40 -6.856 9.421 1.335 322 2HB GLU 40 1HB GLU 40 -7.132 7.687 1.336 323 1HG GLU 40 2HG GLU 40 -9.516 8.052 1.049 324 2HG GLU 40 1HG GLU 40 -9.261 9.796 1.084 325 H GLN 41 H GLN 41 -5.864 10.245 3.662 326 HA GLN 41 HA GLN 41 -3.763 8.428 4.023 327 1HB GLN 41 2HB GLN 41 -4.157 11.310 4.754 328 2HB GLN 41 1HB GLN 41 -2.692 10.460 5.221 329 1HG GLN 41 2HG GLN 41 -2.239 9.946 2.881 330 2HG GLN 41 1HG GLN 41 -3.721 10.776 2.411 331 1HE2 GLN 41 1HE2 GLN 41 -0.474 11.159 3.598 332 2HE2 GLN 41 2HE2 GLN 41 -0.354 12.854 3.298 333 H ASP 42 H ASP 42 -5.962 9.915 6.360 334 HA ASP 42 HA ASP 42 -4.616 9.019 8.680 335 1HB ASP 42 2HB ASP 42 -6.301 10.764 8.811 336 2HB ASP 42 1HB ASP 42 -7.543 9.652 8.247 337 H ASP 43 H ASP 43 -7.267 7.634 6.825 338 HA ASP 43 HA ASP 43 -7.632 5.315 8.396 339 1HB ASP 43 2HB ASP 43 -9.167 6.335 6.597 340 2HB ASP 43 1HB ASP 43 -8.156 5.495 5.429 341 H PHE 44 H PHE 44 -5.547 6.106 5.690 342 HA PHE 44 HA PHE 44 -4.527 3.505 5.226 343 1HB PHE 44 2HB PHE 44 -4.373 5.300 3.566 344 2HB PHE 44 1HB PHE 44 -3.302 6.204 4.629 345 HD1 PHE 44 2HD PHE 44 -3.524 2.810 3.093 346 HD2 PHE 44 1HD PHE 44 -1.059 6.105 4.181 347 HE1 PHE 44 2HE PHE 44 -1.586 1.690 2.073 348 HE2 PHE 44 1HE PHE 44 0.885 4.992 3.162 349 HZ PHE 44 HZ PHE 44 0.622 2.778 2.109 350 H VAL 45 H VAL 45 -3.321 6.233 7.178 351 HA VAL 45 HA VAL 45 -0.951 4.974 8.048 352 HB VAL 45 HB VAL 45 -2.588 7.135 9.392 353 1HG1 VAL 45 1HG1 VAL 45 -0.589 7.616 10.720 354 2HG1 VAL 45 2HG1 VAL 45 0.211 6.207 10.024 355 3HG1 VAL 45 3HG1 VAL 45 -1.207 5.998 11.052 356 1HG2 VAL 45 1HG2 VAL 45 -1.673 7.766 7.217 357 2HG2 VAL 45 2HG2 VAL 45 -0.066 7.272 7.745 358 3HG2 VAL 45 3HG2 VAL 45 -0.867 8.637 8.521 359 H ALA 46 H ALA 46 -4.218 5.058 9.423 360 HA ALA 46 HA ALA 46 -3.695 3.572 11.746 361 1HB ALA 46 1HB ALA 46 -6.211 3.684 10.086 362 2HB ALA 46 2HB ALA 46 -5.785 4.765 11.413 363 3HB ALA 46 3HB ALA 46 -6.100 3.058 11.730 364 H LEU 47 H LEU 47 -4.262 2.598 8.441 365 HA LEU 47 HA LEU 47 -4.558 -0.183 8.875 366 1HB LEU 47 2HB LEU 47 -5.240 0.947 6.809 367 2HB LEU 47 1HB LEU 47 -3.570 1.333 6.458 368 HG LEU 47 HG LEU 47 -3.101 -1.112 6.288 369 1HD1 LEU 47 1HD1 LEU 47 -5.005 -2.630 6.000 370 2HD1 LEU 47 2HD1 LEU 47 -6.101 -1.329 6.470 371 3HD1 LEU 47 3HD1 LEU 47 -4.932 -1.959 7.631 372 1HD2 LEU 47 1HD2 LEU 47 -3.477 0.257 4.311 373 2HD2 LEU 47 2HD2 LEU 47 -5.216 -0.002 4.445 374 3HD2 LEU 47 3HD2 LEU 47 -4.147 -1.358 4.087 375 H LEU 48 H LEU 48 -1.761 1.900 8.379 376 HA LEU 48 HA LEU 48 0.089 -0.203 7.867 377 1HB LEU 48 2HB LEU 48 0.553 2.649 8.721 378 2HB LEU 48 1HB LEU 48 1.809 1.550 8.184 379 HG LEU 48 HG LEU 48 -0.501 2.543 6.513 380 1HD1 LEU 48 1HD1 LEU 48 1.169 4.262 6.953 381 2HD1 LEU 48 2HD1 LEU 48 1.210 3.751 5.265 382 3HD1 LEU 48 3HD1 LEU 48 2.442 3.180 6.389 383 1HD2 LEU 48 1HD2 LEU 48 1.822 0.762 5.780 384 2HD2 LEU 48 2HD2 LEU 48 0.647 1.432 4.648 385 3HD2 LEU 48 3HD2 LEU 48 0.129 0.281 5.880 386 H GLU 49 H GLU 49 -1.234 1.065 10.761 387 HA GLU 49 HA GLU 49 0.952 0.114 12.399 388 1HB GLU 49 2HB GLU 49 -1.673 1.417 13.045 389 2HB GLU 49 1HB GLU 49 -0.658 0.718 14.298 390 1HG GLU 49 2HG GLU 49 1.195 2.189 13.532 391 2HG GLU 49 1HG GLU 49 0.060 2.961 12.427 392 H SER 50 H SER 50 -1.716 -1.269 10.941 393 HA SER 50 HA SER 50 -2.476 -3.097 12.985 394 1HB SER 50 2HB SER 50 -2.916 -3.252 9.996 395 2HB SER 50 1HB SER 50 -3.767 -4.202 11.215 396 HG SER 50 HG SER 50 -4.959 -2.363 10.534 397 H ASP 51 H ASP 51 -2.473 -5.553 12.299 398 HA ASP 51 HA ASP 51 0.288 -6.383 12.096 399 1HB ASP 51 2HB ASP 51 -1.382 -7.398 13.682 400 2HB ASP 51 1HB ASP 51 -2.207 -8.086 12.289 401 H ASP 52 H ASP 52 -1.486 -5.257 9.870 402 HA ASP 52 HA ASP 52 -2.005 -5.498 7.685 403 1HB ASP 52 2HB ASP 52 0.439 -7.255 7.530 404 2HB ASP 52 1HB ASP 52 -0.231 -6.211 6.287 405 HA PRO 53 HA PRO 53 -3.407 -9.945 7.906 406 1HB PRO 53 2HB PRO 53 -5.921 -9.448 9.112 407 2HB PRO 53 1HB PRO 53 -4.519 -10.200 9.870 408 1HG PRO 53 2HG PRO 53 -5.625 -7.719 10.549 409 2HG PRO 53 1HG PRO 53 -4.036 -8.323 11.044 410 1HD PRO 53 2HD PRO 53 -4.749 -6.425 8.856 411 2HD PRO 53 1HD PRO 53 -3.308 -6.468 9.896 412 H ASP 54 H ASP 54 -5.894 -7.403 7.771 413 HA ASP 54 HA ASP 54 -7.215 -8.537 5.521 414 1HB ASP 54 2HB ASP 54 -8.489 -6.387 5.498 415 2HB ASP 54 1HB ASP 54 -8.507 -7.205 7.052 416 H LEU 55 H LEU 55 -4.758 -6.094 5.995 417 HA LEU 55 HA LEU 55 -4.608 -5.087 3.386 418 1HB LEU 55 2HB LEU 55 -3.432 -4.244 5.467 419 2HB LEU 55 1HB LEU 55 -2.279 -5.541 5.255 420 HG LEU 55 HG LEU 55 -2.739 -3.463 3.118 421 1HD1 LEU 55 1HD1 LEU 55 -2.122 -2.316 5.185 422 2HD1 LEU 55 2HD1 LEU 55 -0.814 -2.265 4.005 423 3HD1 LEU 55 3HD1 LEU 55 -0.731 -3.384 5.364 424 1HD2 LEU 55 1HD2 LEU 55 -0.494 -4.106 2.413 425 2HD2 LEU 55 2HD2 LEU 55 -1.567 -5.506 2.436 426 3HD2 LEU 55 3HD2 LEU 55 -0.399 -5.268 3.737 427 H PHE 56 H PHE 56 -2.850 -7.801 4.907 428 HA PHE 56 HA PHE 56 -1.455 -8.596 2.595 429 1HB PHE 56 2HB PHE 56 -1.012 -9.273 5.018 430 2HB PHE 56 1HB PHE 56 -2.328 -10.419 4.837 431 HD1 PHE 56 2HD PHE 56 0.835 -9.436 3.130 432 HD2 PHE 56 1HD PHE 56 -1.833 -12.572 4.213 433 HE1 PHE 56 2HE PHE 56 2.398 -11.088 2.189 434 HE2 PHE 56 1HE PHE 56 -0.274 -14.229 3.275 435 HZ PHE 56 HZ PHE 56 1.845 -13.487 2.262 436 H ALA 57 H ALA 57 -4.598 -9.464 3.895 437 HA ALA 57 HA ALA 57 -5.228 -11.667 2.318 438 1HB ALA 57 1HB ALA 57 -6.515 -10.959 4.276 439 2HB ALA 57 2HB ALA 57 -7.547 -11.196 2.867 440 3HB ALA 57 3HB ALA 57 -7.113 -9.565 3.377 441 H TRP 58 H TRP 58 -5.830 -8.204 1.648 442 HA TRP 58 HA TRP 58 -7.187 -8.816 -0.791 443 1HB TRP 58 2HB TRP 58 -6.278 -6.249 0.452 444 2HB TRP 58 1HB TRP 58 -6.935 -6.290 -1.184 445 HD1 TRP 58 HD TRP 58 -7.988 -7.494 2.331 446 HE1 TRP 58 1HE TRP 58 -10.532 -7.207 2.555 447 HE3 TRP 58 3HE TRP 58 -9.023 -5.790 -2.368 448 HZ2 TRP 58 2HZ TRP 58 -12.696 -6.393 0.951 449 HZ3 TRP 58 3HZ TRP 58 -11.369 -5.285 -2.942 450 HH2 TRP 58 HH TRP 58 -13.159 -5.584 -1.316 451 H VAL 59 H VAL 59 -3.879 -8.059 0.058 452 HA VAL 59 HA VAL 59 -2.887 -7.484 -2.501 453 HB VAL 59 HB VAL 59 -1.502 -8.918 -0.221 454 1HG1 VAL 59 1HG1 VAL 59 -0.384 -9.383 -2.347 455 2HG1 VAL 59 2HG1 VAL 59 0.591 -8.326 -1.326 456 3HG1 VAL 59 3HG1 VAL 59 -0.306 -7.653 -2.685 457 1HG2 VAL 59 1HG2 VAL 59 -2.243 -6.661 0.329 458 2HG2 VAL 59 2HG2 VAL 59 -1.435 -6.037 -1.109 459 3HG2 VAL 59 3HG2 VAL 59 -0.485 -6.731 0.206 460 H MET 60 H MET 60 -3.404 -10.586 -0.867 461 HA MET 60 HA MET 60 -2.589 -12.060 -3.234 462 1HB MET 60 2HB MET 60 -3.691 -13.014 -0.581 463 2HB MET 60 1HB MET 60 -3.131 -14.069 -1.873 464 1HG MET 60 2HG MET 60 -0.891 -13.047 -1.682 465 2HG MET 60 1HG MET 60 -1.476 -12.095 -0.320 466 1HE MET 60 1HE MET 60 -0.501 -15.643 -1.638 467 2HE MET 60 2HE MET 60 -2.221 -15.852 -1.309 468 3HE MET 60 3HE MET 60 -1.026 -16.688 -0.318 469 H GLY 61 H GLY 61 -5.466 -10.812 -1.828 470 1HA GLY 61 2HA GLY 61 -7.504 -10.542 -2.928 471 2HA GLY 61 1HA GLY 61 -6.978 -11.703 -4.140 472 H HIS 62 H HIS 62 -6.975 -12.228 -0.654 473 HA HIS 62 HA HIS 62 -9.293 -13.934 -0.724 474 1HB HIS 62 2HB HIS 62 -6.510 -15.081 -0.573 475 2HB HIS 62 1HB HIS 62 -7.881 -15.913 0.144 476 HD1 HIS 62 1HD HIS 62 -6.026 -15.600 -2.940 477 HD2 HIS 62 2HD HIS 62 -9.934 -16.563 -1.888 478 HE1 HIS 62 1HE HIS 62 -7.014 -16.728 -4.956 479 HE2 HIS 62 2HE HIS 62 -9.288 -17.509 -4.212 480 H GLY 63 H GLY 63 -10.078 -12.768 0.996 481 1HA GLY 63 2HA GLY 63 -9.731 -13.738 3.501 482 2HA GLY 63 1HA GLY 63 -8.514 -12.480 3.414 483 H ARG 64 H ARG 64 -10.194 -10.812 1.673 484 HA ARG 64 HA ARG 64 -11.603 -9.051 1.869 485 1HB ARG 64 2HB ARG 64 -13.083 -10.976 3.653 486 2HB ARG 64 1HB ARG 64 -13.692 -9.375 3.263 487 1HG ARG 64 2HG ARG 64 -13.684 -9.952 0.888 488 2HG ARG 64 1HG ARG 64 -13.096 -11.566 1.291 489 1HD ARG 64 2HD ARG 64 -15.691 -10.365 2.243 490 2HD ARG 64 1HD ARG 64 -15.530 -11.509 0.912 491 HE ARG 64 HE ARG 64 -14.434 -12.435 3.420 492 1HH1 ARG 64 1HH1 ARG 64 -17.326 -12.206 1.463 493 2HH1 ARG 64 2HH1 ARG 64 -18.077 -13.601 2.177 494 1HH2 ARG 64 1HH2 ARG 64 -15.394 -14.267 4.352 495 2HH2 ARG 64 2HH2 ARG 64 -16.954 -14.808 3.798 496 H CYS 65 H CYS 65 -12.889 -7.752 3.806 497 HA CYS 65 HA CYS 65 -11.166 -7.528 6.124 498 1HB CYS 65 2HB CYS 65 -10.809 -5.110 5.719 499 2HB CYS 65 1HB CYS 65 -10.026 -6.119 4.508 500 HG CYS 65 HG CYS 65 -11.698 -3.567 3.879 501 H GLU 66 H GLU 66 -12.027 -5.379 7.343 502 HA GLU 66 HA GLU 66 -14.892 -5.846 7.673 503 1HB GLU 66 2HB GLU 66 -12.973 -4.242 9.370 504 2HB GLU 66 1HB GLU 66 -14.631 -4.648 9.781 505 1HG GLU 66 2HG GLU 66 -12.424 -6.648 9.369 506 2HG GLU 66 1HG GLU 66 -12.970 -6.048 10.933 507 H ASN 67 H ASN 67 -12.575 -3.331 6.885 508 HA ASN 67 HA ASN 67 -14.821 -1.587 6.104 509 1HB ASN 67 2HB ASN 67 -13.625 -0.542 7.917 510 2HB ASN 67 1HB ASN 67 -12.077 -0.845 7.136 511 1HD2 ASN 67 1HD2 ASN 67 -11.562 1.358 7.238 512 2HD2 ASN 67 2HD2 ASN 67 -12.280 2.502 6.152 513 H LEU 68 H LEU 68 -15.033 -1.353 3.986 514 HA LEU 68 HA LEU 68 -13.072 -2.336 2.164 515 1HB LEU 68 2HB LEU 68 -15.579 -0.724 1.725 516 2HB LEU 68 1HB LEU 68 -14.574 -1.323 0.423 517 HG LEU 68 HG LEU 68 -16.145 -2.966 2.409 518 1HD1 LEU 68 1HD1 LEU 68 -17.332 -3.748 0.449 519 2HD1 LEU 68 2HD1 LEU 68 -16.319 -2.746 -0.591 520 3HD1 LEU 68 3HD1 LEU 68 -17.428 -1.990 0.555 521 1HD2 LEU 68 1HD2 LEU 68 -14.234 -3.884 0.265 522 2HD2 LEU 68 2HD2 LEU 68 -15.304 -4.929 1.200 523 3HD2 LEU 68 3HD2 LEU 68 -14.006 -4.047 2.005 524 H GLY 69 H GLY 69 -13.580 0.680 3.689 525 1HA GLY 69 2HA GLY 69 -12.292 2.411 1.880 526 2HA GLY 69 1HA GLY 69 -12.376 2.635 3.624 527 H LEU 70 H LEU 70 -10.976 0.543 4.612 528 HA LEU 70 HA LEU 70 -8.281 1.146 4.260 529 1HB LEU 70 2HB LEU 70 -9.601 -1.385 5.232 530 2HB LEU 70 1HB LEU 70 -7.878 -1.093 5.329 531 HG LEU 70 HG LEU 70 -9.964 0.614 6.685 532 1HD1 LEU 70 1HD1 LEU 70 -9.947 -1.630 7.628 533 2HD1 LEU 70 2HD1 LEU 70 -9.229 -0.474 8.751 534 3HD1 LEU 70 3HD1 LEU 70 -8.195 -1.553 7.815 535 1HD2 LEU 70 1HD2 LEU 70 -8.062 1.515 7.919 536 2HD2 LEU 70 2HD2 LEU 70 -7.886 1.791 6.185 537 3HD2 LEU 70 3HD2 LEU 70 -6.966 0.510 6.971 538 H ALA 71 H ALA 71 -10.299 -1.354 2.834 539 HA ALA 71 HA ALA 71 -8.286 -2.680 1.367 540 1HB ALA 71 1HB ALA 71 -10.436 -3.705 1.892 541 2HB ALA 71 2HB ALA 71 -10.126 -3.722 0.156 542 3HB ALA 71 3HB ALA 71 -11.251 -2.547 0.840 543 H ALA 72 H ALA 72 -10.124 0.207 0.755 544 HA ALA 72 HA ALA 72 -9.844 0.320 -2.044 545 1HB ALA 72 1HB ALA 72 -11.387 1.763 -0.775 546 2HB ALA 72 2HB ALA 72 -10.338 2.680 -1.855 547 3HB ALA 72 3HB ALA 72 -10.001 2.641 -0.125 548 H MET 73 H MET 73 -7.773 1.556 0.583 549 HA MET 73 HA MET 73 -5.803 2.625 -1.162 550 1HB MET 73 2HB MET 73 -5.807 1.910 1.755 551 2HB MET 73 1HB MET 73 -4.311 2.367 0.949 552 1HG MET 73 2HG MET 73 -5.093 4.342 1.891 553 2HG MET 73 1HG MET 73 -5.557 4.458 0.197 554 1HE MET 73 1HE MET 73 -6.683 4.181 3.867 555 2HE MET 73 2HE MET 73 -7.109 2.563 3.313 556 3HE MET 73 3HE MET 73 -8.377 3.709 3.751 557 H VAL 74 H VAL 74 -6.208 -0.505 0.431 558 HA VAL 74 HA VAL 74 -3.737 -1.618 -0.324 559 HB VAL 74 HB VAL 74 -6.346 -3.107 0.054 560 1HG1 VAL 74 1HG1 VAL 74 -3.483 -4.043 0.255 561 2HG1 VAL 74 2HG1 VAL 74 -4.611 -4.442 -1.041 562 3HG1 VAL 74 3HG1 VAL 74 -4.913 -5.016 0.599 563 1HG2 VAL 74 1HG2 VAL 74 -5.613 -3.440 2.363 564 2HG2 VAL 74 2HG2 VAL 74 -5.820 -1.727 2.000 565 3HG2 VAL 74 3HG2 VAL 74 -4.203 -2.426 2.063 566 H ASP 75 H ASP 75 -6.867 -1.531 -1.948 567 HA ASP 75 HA ASP 75 -6.235 -3.104 -4.175 568 1HB ASP 75 2HB ASP 75 -8.526 -2.439 -3.649 569 2HB ASP 75 1HB ASP 75 -8.127 -0.752 -3.950 570 H LYS 76 H LYS 76 -5.763 0.335 -3.549 571 HA LYS 76 HA LYS 76 -4.776 1.072 -6.081 572 1HB LYS 76 2HB LYS 76 -4.113 2.203 -3.349 573 2HB LYS 76 1HB LYS 76 -3.713 2.975 -4.878 574 1HG LYS 76 2HG LYS 76 -6.055 3.248 -5.399 575 2HG LYS 76 1HG LYS 76 -6.512 2.352 -3.950 576 1HD LYS 76 2HD LYS 76 -5.414 4.092 -2.576 577 2HD LYS 76 1HD LYS 76 -5.083 5.008 -4.047 578 1HE LYS 76 2HE LYS 76 -7.477 5.185 -4.493 579 2HE LYS 76 1HE LYS 76 -7.825 4.227 -3.056 580 1HZ LYS 76 1HZ LYS 76 -6.616 6.942 -3.144 581 2HZ LYS 76 2HZ LYS 76 -6.731 6.005 -1.742 582 3HZ LYS 76 3HZ LYS 76 -8.134 6.517 -2.527 583 H ILE 77 H ILE 77 -3.205 -0.209 -3.197 584 HA ILE 77 HA ILE 77 -0.547 -0.199 -4.133 585 HB ILE 77 HB ILE 77 -1.864 -2.098 -2.179 586 1HG1 ILE 77 2HG1 ILE 77 -0.273 0.423 -1.663 587 2HG1 ILE 77 1HG1 ILE 77 -2.029 0.308 -1.575 588 1HG2 ILE 77 1HG2 ILE 77 0.405 -2.487 -1.325 589 2HG2 ILE 77 2HG2 ILE 77 1.056 -1.488 -2.624 590 3HG2 ILE 77 3HG2 ILE 77 0.236 -3.004 -3.003 591 1HD1 ILE 77 1HD1 ILE 77 -1.828 -1.298 0.249 592 2HD1 ILE 77 2HD1 ILE 77 -1.019 0.222 0.631 593 3HD1 ILE 77 3HD1 ILE 77 -0.071 -1.188 0.154 594 H VAL 78 H VAL 78 -3.076 -2.686 -4.222 595 HA VAL 78 HA VAL 78 -1.652 -4.723 -5.483 596 HB VAL 78 HB VAL 78 -4.599 -4.073 -5.723 597 1HG1 VAL 78 1HG1 VAL 78 -4.880 -6.438 -6.321 598 2HG1 VAL 78 2HG1 VAL 78 -3.128 -6.632 -6.343 599 3HG1 VAL 78 3HG1 VAL 78 -3.913 -5.570 -7.512 600 1HG2 VAL 78 1HG2 VAL 78 -3.878 -4.424 -3.424 601 2HG2 VAL 78 2HG2 VAL 78 -3.120 -5.950 -3.883 602 3HG2 VAL 78 3HG2 VAL 78 -4.871 -5.771 -3.978 603 H ALA 79 H ALA 79 -3.257 -1.900 -6.848 604 HA ALA 79 HA ALA 79 -3.160 -2.607 -9.555 605 1HB ALA 79 1HB ALA 79 -4.392 -0.668 -8.639 606 2HB ALA 79 2HB ALA 79 -3.396 -0.256 -10.035 607 3HB ALA 79 3HB ALA 79 -2.855 0.165 -8.409 608 H HIS 80 H HIS 80 -0.756 -0.896 -7.564 609 HA HIS 80 HA HIS 80 1.149 -0.620 -9.658 610 1HB HIS 80 2HB HIS 80 1.109 0.730 -7.510 611 2HB HIS 80 1HB HIS 80 1.744 -0.687 -6.686 612 HD1 HIS 80 1HD HIS 80 2.866 2.371 -8.136 613 HD2 HIS 80 2HD HIS 80 4.342 -1.521 -8.035 614 HE1 HIS 80 1HE HIS 80 5.316 2.560 -8.635 615 HE2 HIS 80 2HE HIS 80 6.136 0.186 -8.792 616 H ASN 81 H ASN 81 0.527 -3.080 -7.223 617 HA ASN 81 HA ASN 81 2.815 -4.675 -7.676 618 1HB ASN 81 2HB ASN 81 1.282 -4.929 -5.727 619 2HB ASN 81 1HB ASN 81 0.056 -5.581 -6.808 620 1HD2 ASN 81 1HD2 ASN 81 -0.028 -7.553 -5.765 621 2HD2 ASN 81 2HD2 ASN 81 1.253 -8.714 -5.844 622 H LEU 82 H LEU 82 -0.460 -4.846 -9.037 623 HA LEU 82 HA LEU 82 -0.074 -6.984 -10.790 624 1HB LEU 82 2HB LEU 82 -2.233 -5.775 -10.167 625 2HB LEU 82 1HB LEU 82 -1.793 -4.567 -11.354 626 HG LEU 82 HG LEU 82 -2.054 -7.459 -12.137 627 1HD1 LEU 82 1HD1 LEU 82 -4.257 -5.406 -12.023 628 2HD1 LEU 82 2HD1 LEU 82 -4.129 -6.848 -11.014 629 3HD1 LEU 82 3HD1 LEU 82 -4.373 -7.006 -12.753 630 1HD2 LEU 82 1HD2 LEU 82 -1.005 -5.947 -13.744 631 2HD2 LEU 82 2HD2 LEU 82 -2.395 -4.865 -13.645 632 3HD2 LEU 82 3HD2 LEU 82 -2.584 -6.483 -14.319 633 H SER 83 H SER 83 0.652 -3.576 -11.084 634 HA SER 83 HA SER 83 1.332 -3.521 -13.807 635 1HB SER 83 2HB SER 83 0.878 -1.513 -12.384 636 2HB SER 83 1HB SER 83 2.433 -1.762 -11.596 637 HG SER 83 HG SER 83 1.871 -0.969 -14.239 638 H LYS 84 H LYS 84 3.356 -4.108 -10.911 639 HA LYS 84 HA LYS 84 5.760 -4.307 -12.425 640 1HB LYS 84 2HB LYS 84 6.852 -4.910 -10.452 641 2HB LYS 84 1HB LYS 84 5.538 -3.891 -9.891 642 1HG LYS 84 2HG LYS 84 4.252 -5.930 -9.326 643 2HG LYS 84 1HG LYS 84 5.648 -6.901 -9.801 644 1HD LYS 84 2HD LYS 84 5.589 -4.834 -7.600 645 2HD LYS 84 1HD LYS 84 5.560 -6.581 -7.377 646 1HE LYS 84 2HE LYS 84 7.797 -5.081 -8.729 647 2HE LYS 84 1HE LYS 84 7.798 -5.525 -7.025 648 1HZ LYS 84 1HZ LYS 84 9.042 -7.093 -8.386 649 2HZ LYS 84 2HZ LYS 84 7.655 -7.439 -9.298 650 3HZ LYS 84 3HZ LYS 84 7.718 -7.850 -7.651 651 H VAL 85 H VAL 85 3.190 -6.495 -11.660 652 HA VAL 85 HA VAL 85 4.583 -8.888 -12.396 653 HB VAL 85 HB VAL 85 1.613 -8.351 -12.197 654 1HG1 VAL 85 1HG1 VAL 85 1.349 -10.787 -12.160 655 2HG1 VAL 85 2HG1 VAL 85 3.082 -10.981 -12.422 656 3HG1 VAL 85 3HG1 VAL 85 2.078 -10.249 -13.674 657 1HG2 VAL 85 1HG2 VAL 85 2.762 -8.093 -10.067 658 2HG2 VAL 85 2HG2 VAL 85 3.534 -9.665 -10.276 659 3HG2 VAL 85 3HG2 VAL 85 1.787 -9.563 -10.063 660 H ARG 86 H ARG 86 2.271 -6.742 -14.048 661 HA ARG 86 HA ARG 86 2.197 -8.215 -16.460 662 1HB ARG 86 2HB ARG 86 1.089 -6.296 -17.433 663 2HB ARG 86 1HB ARG 86 0.461 -6.622 -15.833 664 1HG ARG 86 2HG ARG 86 0.586 -4.336 -15.905 665 2HG ARG 86 1HG ARG 86 2.035 -4.794 -15.023 666 1HD ARG 86 2HD ARG 86 2.532 -3.034 -16.618 667 2HD ARG 86 1HD ARG 86 3.356 -4.524 -17.067 668 HE ARG 86 HE ARG 86 1.478 -4.808 -18.721 669 1HH1 ARG 86 1HH1 ARG 86 2.458 -1.643 -17.576 670 2HH1 ARG 86 2HH1 ARG 86 1.996 -0.836 -19.050 671 1HH2 ARG 86 1HH2 ARG 86 0.883 -3.734 -20.678 672 2HH2 ARG 86 2HH2 ARG 86 1.110 -2.011 -20.788 673 H LEU 87 H LEU 87 4.434 -6.003 -15.166 674 HA LEU 87 HA LEU 87 5.663 -5.156 -17.570 675 1HB LEU 87 2HB LEU 87 5.863 -3.922 -15.478 676 2HB LEU 87 1HB LEU 87 6.697 -5.276 -14.739 677 HG LEU 87 HG LEU 87 8.528 -4.981 -16.380 678 1HD1 LEU 87 1HD1 LEU 87 8.657 -2.851 -17.613 679 2HD1 LEU 87 2HD1 LEU 87 7.004 -2.488 -17.117 680 3HD1 LEU 87 3HD1 LEU 87 7.327 -3.873 -18.159 681 1HD2 LEU 87 1HD2 LEU 87 9.496 -3.019 -15.302 682 2HD2 LEU 87 2HD2 LEU 87 8.671 -4.041 -14.126 683 3HD2 LEU 87 3HD2 LEU 87 7.906 -2.558 -14.696 684 H GLU 88 H GLU 88 6.202 -7.869 -15.369 685 HA GLU 88 HA GLU 88 8.588 -8.628 -16.849 686 1HB GLU 88 2HB GLU 88 7.394 -9.593 -14.273 687 2HB GLU 88 1HB GLU 88 8.656 -10.505 -15.090 688 1HG GLU 88 2HG GLU 88 10.023 -8.370 -15.038 689 2HG GLU 88 1HG GLU 88 8.811 -7.755 -13.911 690 H HIS 89 H HIS 89 6.149 -10.847 -15.485 691 HA HIS 89 HA HIS 89 5.744 -12.044 -18.079 692 1HB HIS 89 2HB HIS 89 6.742 -14.215 -17.520 693 2HB HIS 89 1HB HIS 89 7.947 -12.937 -17.528 694 HD1 HIS 89 1HD HIS 89 7.479 -15.843 -15.806 695 HD2 HIS 89 2HD HIS 89 7.864 -11.919 -14.484 696 HE1 HIS 89 1HE HIS 89 8.282 -16.003 -13.421 697 HE2 HIS 89 2HE HIS 89 8.681 -13.609 -12.713 698 H HIS 90 H HIS 90 3.638 -12.182 -17.976 699 HA HIS 90 HA HIS 90 2.338 -14.340 -16.924 700 1HB HIS 90 2HB HIS 90 2.750 -13.233 -14.667 701 2HB HIS 90 1HB HIS 90 1.678 -11.940 -15.195 702 HD1 HIS 90 1HD HIS 90 -0.733 -12.261 -14.635 703 HD2 HIS 90 2HD HIS 90 1.357 -15.859 -14.690 704 HE1 HIS 90 1HE HIS 90 -2.373 -14.013 -13.892 705 HE2 HIS 90 2HE HIS 90 -1.151 -16.197 -14.143 706 H HIS 91 H HIS 91 0.693 -14.496 -18.337 707 HA HIS 91 HA HIS 91 0.105 -12.419 -20.107 708 1HB HIS 91 2HB HIS 91 -0.529 -15.122 -19.942 709 2HB HIS 91 1HB HIS 91 -2.090 -14.306 -19.901 710 HD1 HIS 91 1HD HIS 91 0.790 -15.057 -22.117 711 HD2 HIS 91 2HD HIS 91 -2.725 -12.833 -22.242 712 HE1 HIS 91 1HE HIS 91 0.485 -14.395 -24.527 713 HE2 HIS 91 2HE HIS 91 -1.508 -12.858 -24.527 714 H HIS 92 H HIS 92 -1.349 -10.840 -20.181 715 HA HIS 92 HA HIS 92 -3.309 -10.572 -18.029 716 1HB HIS 92 2HB HIS 92 -2.446 -8.246 -17.558 717 2HB HIS 92 1HB HIS 92 -1.386 -9.547 -17.023 718 HD1 HIS 92 1HD HIS 92 -1.598 -6.729 -19.479 719 HD2 HIS 92 2HD HIS 92 1.053 -9.744 -18.397 720 HE1 HIS 92 1HE HIS 92 0.580 -6.157 -20.596 721 HE2 HIS 92 2HE HIS 92 2.124 -8.074 -20.054 722 H HIS 93 H HIS 93 -4.990 -9.140 -18.498 723 HA HIS 93 HA HIS 93 -4.885 -7.385 -20.755 724 1HB HIS 93 2HB HIS 93 -5.344 -9.744 -21.705 725 2HB HIS 93 1HB HIS 93 -6.929 -9.591 -20.959 726 HD1 HIS 93 1HD HIS 93 -8.498 -7.655 -21.919 727 HD2 HIS 93 2HD HIS 93 -5.024 -8.418 -24.080 728 HE1 HIS 93 1HE HIS 93 -8.819 -6.531 -24.146 729 HE2 HIS 93 2HE HIS 93 -6.750 -7.094 -25.476 730 H HIS 94 H HIS 94 -6.413 -5.802 -20.584 731 HA HIS 94 HA HIS 94 -8.609 -6.256 -18.681 732 1HB HIS 94 2HB HIS 94 -6.796 -3.896 -18.969 733 2HB HIS 94 1HB HIS 94 -8.477 -3.608 -18.534 734 HD1 HIS 94 1HD HIS 94 -5.604 -3.492 -16.812 735 HD2 HIS 94 2HD HIS 94 -8.908 -5.974 -16.355 736 HE1 HIS 94 1HE HIS 94 -5.533 -4.282 -14.430 737 HE2 HIS 94 2HE HIS 94 -7.695 -5.535 -14.112 Start of MODEL 13 1 1H MET 1 1HT MET 1 -1.566 18.956 3.678 2 2H MET 1 2HT MET 1 -1.096 19.646 5.154 3 3H MET 1 3HT MET 1 -1.856 18.131 5.129 4 HA MET 1 HA MET 1 -0.027 17.109 4.084 5 1HB MET 1 2HB MET 1 0.584 18.995 2.624 6 2HB MET 1 1HB MET 1 1.215 19.866 4.015 7 1HG MET 1 2HG MET 1 2.979 18.831 2.675 8 2HG MET 1 1HG MET 1 2.940 18.217 4.327 9 1HE MET 1 1HE MET 1 1.308 15.889 0.689 10 2HE MET 1 2HE MET 1 1.996 17.511 0.595 11 3HE MET 1 3HE MET 1 0.461 17.252 1.421 12 H TYR 2 H TYR 2 0.980 15.959 5.570 13 HA TYR 2 HA TYR 2 1.343 17.065 8.220 14 1HB TYR 2 2HB TYR 2 2.056 14.698 8.772 15 2HB TYR 2 1HB TYR 2 0.404 14.897 8.204 16 HD1 TYR 2 2HD TYR 2 3.805 14.175 6.797 17 HD2 TYR 2 1HD TYR 2 -0.370 13.380 6.662 18 HE1 TYR 2 2HE TYR 2 4.191 12.465 5.077 19 HE2 TYR 2 1HE TYR 2 0.008 11.664 4.944 20 HH TYR 2 HH TYR 2 1.692 11.108 3.240 21 H THR 3 H THR 3 3.382 16.528 9.436 22 HA THR 3 HA THR 3 5.623 17.415 7.780 23 HB THR 3 HB THR 3 6.625 18.123 9.966 24 HG1 THR 3 1HG THR 3 5.680 17.455 11.723 25 1HG2 THR 3 1HG2 THR 3 5.430 19.712 8.542 26 2HG2 THR 3 2HG2 THR 3 5.175 20.076 10.248 27 3HG2 THR 3 3HG2 THR 3 3.909 19.272 9.319 28 H ALA 4 H ALA 4 7.748 16.858 9.311 29 HA ALA 4 HA ALA 4 8.442 14.278 8.550 30 1HB ALA 4 1HB ALA 4 9.747 15.974 10.674 31 2HB ALA 4 2HB ALA 4 10.056 16.072 8.940 32 3HB ALA 4 3HB ALA 4 10.479 14.609 9.830 33 H GLU 5 H GLU 5 7.177 15.405 11.649 34 HA GLU 5 HA GLU 5 7.759 13.099 13.142 35 1HB GLU 5 2HB GLU 5 6.077 15.457 13.466 36 2HB GLU 5 1HB GLU 5 5.423 14.024 14.249 37 1HG GLU 5 2HG GLU 5 6.851 15.374 15.720 38 2HG GLU 5 1HG GLU 5 7.429 13.728 15.517 39 H GLN 6 H GLN 6 5.030 13.869 11.041 40 HA GLN 6 HA GLN 6 3.557 11.508 11.679 41 1HB GLN 6 2HB GLN 6 2.579 13.566 10.625 42 2HB GLN 6 1HB GLN 6 3.412 13.136 9.137 43 1HG GLN 6 2HG GLN 6 1.119 12.438 9.001 44 2HG GLN 6 1HG GLN 6 2.158 11.017 9.076 45 1HE2 GLN 6 1HE2 GLN 6 2.106 9.711 10.885 46 2HE2 GLN 6 2HE2 GLN 6 0.855 9.823 12.076 47 H LYS 7 H LYS 7 5.986 12.379 9.318 48 HA LYS 7 HA LYS 7 5.984 10.076 7.729 49 1HB LYS 7 2HB LYS 7 8.212 11.963 8.494 50 2HB LYS 7 1HB LYS 7 8.420 10.662 7.333 51 1HG LYS 7 2HG LYS 7 6.358 12.827 7.022 52 2HG LYS 7 1HG LYS 7 7.993 12.940 6.371 53 1HD LYS 7 2HD LYS 7 7.595 10.851 5.106 54 2HD LYS 7 1HD LYS 7 5.935 10.839 5.699 55 1HE LYS 7 2HE LYS 7 6.016 11.759 3.456 56 2HE LYS 7 1HE LYS 7 5.545 13.007 4.608 57 1HZ LYS 7 1HZ LYS 7 7.182 13.781 2.966 58 2HZ LYS 7 2HZ LYS 7 8.299 12.643 3.540 59 3HZ LYS 7 3HZ LYS 7 7.768 13.895 4.551 60 H ALA 8 H ALA 8 7.336 10.699 10.895 61 HA ALA 8 HA ALA 8 9.162 8.604 11.090 62 1HB ALA 8 1HB ALA 8 8.991 8.866 13.492 63 2HB ALA 8 2HB ALA 8 7.486 9.765 13.307 64 3HB ALA 8 3HB ALA 8 8.998 10.445 12.705 65 H ARG 9 H ARG 9 5.672 8.610 11.612 66 HA ARG 9 HA ARG 9 5.434 6.028 12.720 67 1HB ARG 9 2HB ARG 9 3.510 7.619 11.017 68 2HB ARG 9 1HB ARG 9 3.090 6.125 11.837 69 1HG ARG 9 2HG ARG 9 4.130 8.511 13.329 70 2HG ARG 9 1HG ARG 9 2.421 8.313 12.943 71 1HD ARG 9 2HD ARG 9 2.499 7.369 15.029 72 2HD ARG 9 1HD ARG 9 2.755 5.952 14.016 73 HE ARG 9 HE ARG 9 5.201 7.216 14.851 74 1HH1 ARG 9 1HH1 ARG 9 2.712 4.897 15.685 75 2HH1 ARG 9 2HH1 ARG 9 3.674 4.116 16.912 76 1HH2 ARG 9 1HH2 ARG 9 6.485 6.164 16.457 77 2HH2 ARG 9 2HH2 ARG 9 5.811 4.823 17.329 78 H ILE 10 H ILE 10 5.394 7.210 9.407 79 HA ILE 10 HA ILE 10 4.998 4.735 8.092 80 HB ILE 10 HB ILE 10 6.418 7.210 7.084 81 1HG1 ILE 10 2HG1 ILE 10 3.508 6.422 6.824 82 2HG1 ILE 10 1HG1 ILE 10 4.123 7.656 7.917 83 1HG2 ILE 10 1HG2 ILE 10 5.139 4.935 5.581 84 2HG2 ILE 10 2HG2 ILE 10 6.865 5.277 5.691 85 3HG2 ILE 10 3HG2 ILE 10 5.794 6.401 4.850 86 1HD1 ILE 10 1HD1 ILE 10 4.904 8.955 5.998 87 2HD1 ILE 10 2HD1 ILE 10 3.166 8.659 5.936 88 3HD1 ILE 10 3HD1 ILE 10 4.256 7.725 4.912 89 H LYS 11 H LYS 11 7.839 6.571 9.020 90 HA LYS 11 HA LYS 11 9.879 5.119 7.846 91 1HB LYS 11 2HB LYS 11 10.151 7.298 8.929 92 2HB LYS 11 1HB LYS 11 9.842 6.570 10.495 93 1HG LYS 11 2HG LYS 11 11.894 5.316 10.368 94 2HG LYS 11 1HG LYS 11 12.190 5.917 8.732 95 1HD LYS 11 2HD LYS 11 12.257 8.219 9.616 96 2HD LYS 11 1HD LYS 11 12.021 7.584 11.243 97 1HE LYS 11 2HE LYS 11 14.334 6.840 9.466 98 2HE LYS 11 1HE LYS 11 14.385 8.141 10.654 99 1HZ LYS 11 1HZ LYS 11 15.322 6.197 11.613 100 2HZ LYS 11 2HZ LYS 11 13.983 5.249 11.186 101 3HZ LYS 11 3HZ LYS 11 13.825 6.463 12.365 102 H TRP 12 H TRP 12 8.145 4.479 10.847 103 HA TRP 12 HA TRP 12 9.880 2.478 11.842 104 1HB TRP 12 2HB TRP 12 7.072 3.312 12.433 105 2HB TRP 12 1HB TRP 12 7.660 1.784 13.080 106 HD1 TRP 12 HD TRP 12 9.345 5.295 12.913 107 HE1 TRP 12 1HE TRP 12 10.179 5.871 15.282 108 HE3 TRP 12 3HE TRP 12 7.699 1.136 15.386 109 HZ2 TRP 12 2HZ TRP 12 10.149 4.703 17.857 110 HZ3 TRP 12 3HZ TRP 12 8.146 0.937 17.795 111 HH2 TRP 12 HH TRP 12 9.347 2.685 19.006 112 H ALA 13 H ALA 13 7.406 2.375 9.404 113 HA ALA 13 HA ALA 13 7.331 -0.560 9.535 114 1HB ALA 13 1HB ALA 13 5.373 -0.427 8.115 115 2HB ALA 13 2HB ALA 13 5.582 1.315 7.952 116 3HB ALA 13 3HB ALA 13 5.176 0.620 9.521 117 H CYS 14 H CYS 14 7.762 2.068 7.180 118 HA CYS 14 HA CYS 14 8.343 0.416 4.983 119 1HB CYS 14 2HB CYS 14 8.982 3.313 5.512 120 2HB CYS 14 1HB CYS 14 9.297 2.514 3.973 121 HG CYS 14 HG CYS 14 6.375 1.698 4.108 122 H ARG 15 H ARG 15 10.350 1.476 7.607 123 HA ARG 15 HA ARG 15 12.903 1.339 6.559 124 1HB ARG 15 2HB ARG 15 13.669 0.716 8.798 125 2HB ARG 15 1HB ARG 15 12.449 1.977 8.878 126 1HG ARG 15 2HG ARG 15 10.773 0.384 9.550 127 2HG ARG 15 1HG ARG 15 11.914 -0.949 9.347 128 1HD ARG 15 2HD ARG 15 12.144 1.318 11.321 129 2HD ARG 15 1HD ARG 15 11.693 -0.345 11.692 130 HE ARG 15 HE ARG 15 14.277 0.023 10.408 131 1HH1 ARG 15 1HH1 ARG 15 12.491 -0.435 13.388 132 2HH1 ARG 15 2HH1 ARG 15 13.883 -0.957 14.287 133 1HH2 ARG 15 1HH2 ARG 15 16.097 -0.652 11.573 134 2HH2 ARG 15 2HH2 ARG 15 15.953 -1.052 13.263 135 H ARG 16 H ARG 16 10.738 -1.307 7.403 136 HA ARG 16 HA ARG 16 12.720 -3.213 6.372 137 1HB ARG 16 2HB ARG 16 11.587 -3.752 8.536 138 2HB ARG 16 1HB ARG 16 10.054 -3.804 7.677 139 1HG ARG 16 2HG ARG 16 10.923 -5.632 6.278 140 2HG ARG 16 1HG ARG 16 12.426 -5.598 7.202 141 1HD ARG 16 2HD ARG 16 9.670 -6.269 8.219 142 2HD ARG 16 1HD ARG 16 11.042 -7.362 8.053 143 HE ARG 16 HE ARG 16 10.898 -5.133 9.982 144 1HH1 ARG 16 1HH1 ARG 16 11.943 -8.358 9.085 145 2HH1 ARG 16 2HH1 ARG 16 12.795 -8.633 10.577 146 1HH2 ARG 16 1HH2 ARG 16 11.996 -5.506 11.948 147 2HH2 ARG 16 2HH2 ARG 16 12.805 -7.019 12.208 148 H GLY 17 H GLY 17 9.309 -2.284 6.031 149 1HA GLY 17 2HA GLY 17 8.233 -1.792 4.025 150 2HA GLY 17 1HA GLY 17 9.583 -2.496 3.151 151 H MET 18 H MET 18 9.427 -4.973 4.821 152 HA MET 18 HA MET 18 8.573 -7.066 4.591 153 1HB MET 18 2HB MET 18 6.520 -6.429 5.557 154 2HB MET 18 1HB MET 18 6.078 -5.435 4.178 155 1HG MET 18 2HG MET 18 5.491 -7.292 2.887 156 2HG MET 18 1HG MET 18 6.314 -8.410 3.958 157 1HE MET 18 1HE MET 18 4.227 -10.026 4.056 158 2HE MET 18 2HE MET 18 3.385 -8.967 2.924 159 3HE MET 18 3HE MET 18 2.584 -9.481 4.407 160 H LEU 19 H LEU 19 9.566 -8.026 2.920 161 HA LEU 19 HA LEU 19 9.954 -6.791 0.467 162 1HB LEU 19 2HB LEU 19 10.259 -9.682 1.236 163 2HB LEU 19 1HB LEU 19 10.872 -8.989 -0.248 164 HG LEU 19 HG LEU 19 11.748 -8.266 2.549 165 1HD1 LEU 19 1HD1 LEU 19 13.874 -9.240 1.889 166 2HD1 LEU 19 2HD1 LEU 19 13.220 -9.641 0.302 167 3HD1 LEU 19 3HD1 LEU 19 12.581 -10.431 1.744 168 1HD2 LEU 19 1HD2 LEU 19 13.414 -6.848 1.444 169 2HD2 LEU 19 2HD2 LEU 19 11.769 -6.306 1.112 170 3HD2 LEU 19 3HD2 LEU 19 12.667 -7.198 -0.116 171 H GLU 20 H GLU 20 7.459 -9.076 1.394 172 HA GLU 20 HA GLU 20 6.611 -9.737 -1.228 173 1HB GLU 20 2HB GLU 20 4.922 -9.704 1.276 174 2HB GLU 20 1HB GLU 20 4.616 -10.622 -0.191 175 1HG GLU 20 2HG GLU 20 5.537 -12.285 1.009 176 2HG GLU 20 1HG GLU 20 7.037 -11.578 0.414 177 H LEU 21 H LEU 21 6.240 -6.912 0.649 178 HA LEU 21 HA LEU 21 4.053 -5.956 -1.082 179 1HB LEU 21 2HB LEU 21 4.559 -5.605 1.849 180 2HB LEU 21 1HB LEU 21 3.605 -4.432 0.980 181 HG LEU 21 HG LEU 21 2.979 -7.369 1.262 182 1HD1 LEU 21 1HD1 LEU 21 2.606 -6.090 3.309 183 2HD1 LEU 21 2HD1 LEU 21 1.078 -6.598 2.587 184 3HD1 LEU 21 3HD1 LEU 21 1.624 -4.931 2.412 185 1HD2 LEU 21 1HD2 LEU 21 0.853 -6.794 0.149 186 2HD2 LEU 21 2HD2 LEU 21 2.250 -6.566 -0.902 187 3HD2 LEU 21 3HD2 LEU 21 1.473 -5.171 -0.155 188 H ASP 22 H ASP 22 7.114 -5.250 0.404 189 HA ASP 22 HA ASP 22 7.316 -2.511 0.194 190 1HB ASP 22 2HB ASP 22 8.968 -3.888 1.336 191 2HB ASP 22 1HB ASP 22 9.475 -4.593 -0.195 192 H VAL 23 H VAL 23 8.027 -4.927 -2.293 193 HA VAL 23 HA VAL 23 9.136 -3.122 -4.159 194 HB VAL 23 HB VAL 23 8.807 -4.923 -5.823 195 1HG1 VAL 23 1HG1 VAL 23 10.790 -4.905 -4.409 196 2HG1 VAL 23 2HG1 VAL 23 10.279 -6.557 -4.747 197 3HG1 VAL 23 3HG1 VAL 23 9.937 -5.831 -3.175 198 1HG2 VAL 23 1HG2 VAL 23 7.433 -6.350 -3.544 199 2HG2 VAL 23 2HG2 VAL 23 7.909 -7.091 -5.072 200 3HG2 VAL 23 3HG2 VAL 23 6.688 -5.819 -5.053 201 H VAL 24 H VAL 24 5.922 -3.587 -3.202 202 HA VAL 24 HA VAL 24 4.895 -2.456 -5.720 203 HB VAL 24 HB VAL 24 3.318 -3.712 -3.464 204 1HG1 VAL 24 1HG1 VAL 24 1.472 -3.728 -5.081 205 2HG1 VAL 24 2HG1 VAL 24 2.494 -2.889 -6.247 206 3HG1 VAL 24 3HG1 VAL 24 2.034 -2.090 -4.744 207 1HG2 VAL 24 1HG2 VAL 24 4.735 -5.375 -4.552 208 2HG2 VAL 24 2HG2 VAL 24 4.111 -4.889 -6.129 209 3HG2 VAL 24 3HG2 VAL 24 3.037 -5.641 -4.948 210 H ILE 25 H ILE 25 4.777 -2.090 -2.197 211 HA ILE 25 HA ILE 25 3.058 0.155 -2.191 212 HB ILE 25 HB ILE 25 4.973 -0.823 -0.074 213 1HG1 ILE 25 2HG1 ILE 25 1.993 -1.207 -0.441 214 2HG1 ILE 25 1HG1 ILE 25 3.236 -2.438 -0.659 215 1HG2 ILE 25 1HG2 ILE 25 2.751 1.204 0.140 216 2HG2 ILE 25 2HG2 ILE 25 4.479 1.517 0.301 217 3HG2 ILE 25 3HG2 ILE 25 3.648 0.524 1.498 218 1HD1 ILE 25 1HD1 ILE 25 2.572 -1.056 1.936 219 2HD1 ILE 25 2HD1 ILE 25 3.770 -2.330 1.707 220 3HD1 ILE 25 3HD1 ILE 25 2.059 -2.677 1.465 221 H MET 26 H MET 26 6.614 -0.101 -1.993 222 HA MET 26 HA MET 26 7.098 2.555 -1.271 223 1HB MET 26 2HB MET 26 8.832 0.863 -1.091 224 2HB MET 26 1HB MET 26 8.869 0.677 -2.838 225 1HG MET 26 2HG MET 26 9.575 3.056 -3.014 226 2HG MET 26 1HG MET 26 9.702 3.093 -1.256 227 1HE MET 26 1HE MET 26 11.381 1.526 0.122 228 2HE MET 26 2HE MET 26 12.511 0.403 -0.636 229 3HE MET 26 3HE MET 26 10.776 0.099 -0.716 230 HA PRO 27 HA PRO 27 7.753 3.670 -5.955 231 1HB PRO 27 2HB PRO 27 6.458 2.047 -7.751 232 2HB PRO 27 1HB PRO 27 8.170 1.902 -7.341 233 1HG PRO 27 2HG PRO 27 5.835 0.334 -6.322 234 2HG PRO 27 1HG PRO 27 7.455 -0.230 -6.773 235 1HD PRO 27 2HD PRO 27 6.735 0.115 -4.208 236 2HD PRO 27 1HD PRO 27 8.386 0.448 -4.771 237 H PHE 28 H PHE 28 4.746 1.997 -5.081 238 HA PHE 28 HA PHE 28 2.974 3.637 -6.520 239 1HB PHE 28 2HB PHE 28 2.215 1.526 -5.591 240 2HB PHE 28 1HB PHE 28 2.540 2.089 -3.954 241 HD1 PHE 28 2HD PHE 28 0.388 2.611 -6.913 242 HD2 PHE 28 1HD PHE 28 0.946 3.337 -2.760 243 HE1 PHE 28 2HE PHE 28 -1.909 3.477 -6.761 244 HE2 PHE 28 1HE PHE 28 -1.349 4.209 -2.600 245 HZ PHE 28 HZ PHE 28 -2.782 4.279 -4.604 246 H PHE 29 H PHE 29 4.160 3.843 -3.182 247 HA PHE 29 HA PHE 29 2.662 6.067 -2.401 248 1HB PHE 29 2HB PHE 29 3.892 4.648 -0.815 249 2HB PHE 29 1HB PHE 29 5.418 5.236 -1.463 250 HD1 PHE 29 1HD PHE 29 2.281 6.450 0.132 251 HD2 PHE 29 2HD PHE 29 6.450 7.049 -0.474 252 HE1 PHE 29 1HE PHE 29 2.247 8.304 1.750 253 HE2 PHE 29 2HE PHE 29 6.425 8.898 1.147 254 HZ PHE 29 HZ PHE 29 4.322 9.530 2.262 255 H GLU 30 H GLU 30 5.928 5.911 -3.803 256 HA GLU 30 HA GLU 30 6.504 8.645 -3.672 257 1HB GLU 30 2HB GLU 30 7.443 6.610 -5.699 258 2HB GLU 30 1HB GLU 30 8.166 8.193 -5.446 259 1HG GLU 30 2HG GLU 30 8.428 7.408 -3.011 260 2HG GLU 30 1HG GLU 30 8.204 5.796 -3.679 261 H GLU 31 H GLU 31 5.033 6.748 -6.228 262 HA GLU 31 HA GLU 31 4.822 8.914 -8.074 263 1HB GLU 31 2HB GLU 31 3.417 6.243 -7.999 264 2HB GLU 31 1HB GLU 31 3.345 7.368 -9.346 265 1HG GLU 31 2HG GLU 31 5.775 7.156 -9.631 266 2HG GLU 31 1HG GLU 31 5.810 5.985 -8.310 267 H CYS 32 H CYS 32 2.462 7.293 -5.965 268 HA CYS 32 HA CYS 32 0.326 8.860 -7.113 269 1HB CYS 32 2HB CYS 32 0.221 6.388 -6.455 270 2HB CYS 32 1HB CYS 32 0.063 6.959 -4.798 271 HG CYS 32 HG CYS 32 -2.125 7.553 -7.366 272 H PHE 33 H PHE 33 2.366 9.138 -4.357 273 HA PHE 33 HA PHE 33 0.753 10.271 -2.426 274 1HB PHE 33 2HB PHE 33 3.089 9.740 -2.026 275 2HB PHE 33 1HB PHE 33 3.598 10.996 -3.146 276 HD1 PHE 33 2HD PHE 33 1.700 10.511 0.019 277 HD2 PHE 33 1HD PHE 33 4.103 13.106 -2.348 278 HE1 PHE 33 2HE PHE 33 1.779 12.126 1.874 279 HE2 PHE 33 1HE PHE 33 4.189 14.721 -0.496 280 HZ PHE 33 HZ PHE 33 3.024 14.232 1.619 281 H ASP 34 H ASP 34 2.136 11.811 -5.268 282 HA ASP 34 HA ASP 34 1.486 14.483 -4.594 283 1HB ASP 34 2HB ASP 34 3.154 13.993 -6.277 284 2HB ASP 34 1HB ASP 34 1.968 13.149 -7.264 285 H SER 35 H SER 35 -0.424 11.873 -5.727 286 HA SER 35 HA SER 35 -2.603 13.701 -6.493 287 1HB SER 35 2HB SER 35 -2.160 10.830 -7.342 288 2HB SER 35 1HB SER 35 -3.441 11.899 -7.911 289 HG SER 35 HG SER 35 -1.530 11.699 -9.303 290 H LEU 36 H LEU 36 -1.611 11.893 -3.959 291 HA LEU 36 HA LEU 36 -4.181 10.676 -3.339 292 1HB LEU 36 2HB LEU 36 -1.534 10.686 -1.902 293 2HB LEU 36 1HB LEU 36 -2.988 10.011 -1.196 294 HG LEU 36 HG LEU 36 -1.708 9.064 -3.761 295 1HD1 LEU 36 1HD1 LEU 36 -1.076 7.094 -2.477 296 2HD1 LEU 36 2HD1 LEU 36 -1.753 7.815 -1.016 297 3HD1 LEU 36 3HD1 LEU 36 -0.351 8.549 -1.795 298 1HD2 LEU 36 1HD2 LEU 36 -4.003 7.931 -2.164 299 2HD2 LEU 36 2HD2 LEU 36 -3.285 7.213 -3.606 300 3HD2 LEU 36 3HD2 LEU 36 -4.135 8.753 -3.719 301 H THR 37 H THR 37 -5.640 11.446 -1.940 302 HA THR 37 HA THR 37 -5.301 14.134 -0.945 303 HB THR 37 HB THR 37 -7.600 12.476 -0.036 304 HG1 THR 37 1HG THR 37 -7.310 11.839 -2.253 305 1HG2 THR 37 1HG2 THR 37 -7.482 14.849 0.504 306 2HG2 THR 37 2HG2 THR 37 -8.828 14.538 -0.594 307 3HG2 THR 37 3HG2 THR 37 -7.334 15.247 -1.207 308 H GLU 38 H GLU 38 -5.772 14.615 1.398 309 HA GLU 38 HA GLU 38 -3.820 13.281 2.936 310 1HB GLU 38 2HB GLU 38 -5.924 15.291 3.704 311 2HB GLU 38 1HB GLU 38 -4.670 14.723 4.798 312 1HG GLU 38 2HG GLU 38 -3.016 15.461 3.052 313 2HG GLU 38 1HG GLU 38 -4.355 16.270 2.251 314 H SER 39 H SER 39 -7.350 13.044 2.911 315 HA SER 39 HA SER 39 -7.702 11.319 5.051 316 1HB SER 39 2HB SER 39 -9.131 11.171 2.386 317 2HB SER 39 1HB SER 39 -9.734 10.612 3.943 318 HG SER 39 HG SER 39 -10.161 12.929 2.921 319 H GLU 40 H GLU 40 -6.929 10.537 1.669 320 HA GLU 40 HA GLU 40 -6.683 7.757 1.960 321 1HB GLU 40 2HB GLU 40 -5.182 9.568 0.056 322 2HB GLU 40 1HB GLU 40 -5.412 7.836 -0.131 323 1HG GLU 40 2HG GLU 40 -7.809 8.169 -0.380 324 2HG GLU 40 1HG GLU 40 -7.600 9.905 -0.151 325 H GLN 41 H GLN 41 -4.417 10.392 2.386 326 HA GLN 41 HA GLN 41 -2.083 8.865 2.785 327 1HB GLN 41 2HB GLN 41 -2.866 11.648 3.656 328 2HB GLN 41 1HB GLN 41 -1.259 10.989 3.889 329 1HG GLN 41 2HG GLN 41 -0.932 10.791 1.516 330 2HG GLN 41 1HG GLN 41 -2.603 11.265 1.210 331 1HE2 GLN 41 1HE2 GLN 41 -1.967 13.010 -0.063 332 2HE2 GLN 41 2HE2 GLN 41 -1.269 14.435 0.620 333 H ASP 42 H ASP 42 -4.568 10.056 4.998 334 HA ASP 42 HA ASP 42 -3.269 9.327 7.407 335 1HB ASP 42 2HB ASP 42 -5.115 10.905 7.414 336 2HB ASP 42 1HB ASP 42 -6.207 9.681 6.780 337 H ASP 43 H ASP 43 -5.697 7.673 5.416 338 HA ASP 43 HA ASP 43 -5.912 5.351 6.967 339 1HB ASP 43 2HB ASP 43 -6.378 5.931 4.058 340 2HB ASP 43 1HB ASP 43 -6.475 4.279 4.655 341 H PHE 44 H PHE 44 -3.590 6.278 4.493 342 HA PHE 44 HA PHE 44 -2.273 3.806 4.244 343 1HB PHE 44 2HB PHE 44 -1.946 5.673 2.671 344 2HB PHE 44 1HB PHE 44 -1.142 6.597 3.934 345 HD1 PHE 44 2HD PHE 44 -0.885 3.496 1.916 346 HD2 PHE 44 1HD PHE 44 1.157 6.371 4.303 347 HE1 PHE 44 2HE PHE 44 1.268 2.502 1.265 348 HE2 PHE 44 1HE PHE 44 3.315 5.384 3.648 349 HZ PHE 44 HZ PHE 44 3.372 3.446 2.130 350 H VAL 45 H VAL 45 -1.717 6.547 6.433 351 HA VAL 45 HA VAL 45 0.551 5.441 7.720 352 HB VAL 45 HB VAL 45 -1.444 7.444 8.789 353 1HG1 VAL 45 1HG1 VAL 45 0.322 8.105 10.341 354 2HG1 VAL 45 2HG1 VAL 45 1.351 6.811 9.727 355 3HG1 VAL 45 3HG1 VAL 45 -0.143 6.422 10.580 356 1HG2 VAL 45 1HG2 VAL 45 1.190 7.856 7.382 357 2HG2 VAL 45 2HG2 VAL 45 0.207 9.129 8.103 358 3HG2 VAL 45 3HG2 VAL 45 -0.411 8.209 6.731 359 H ALA 46 H ALA 46 -2.898 5.501 8.592 360 HA ALA 46 HA ALA 46 -2.720 4.034 10.970 361 1HB ALA 46 1HB ALA 46 -4.733 5.258 10.274 362 2HB ALA 46 2HB ALA 46 -5.093 3.584 10.695 363 3HB ALA 46 3HB ALA 46 -5.007 4.066 9.001 364 H LEU 47 H LEU 47 -3.016 2.969 7.632 365 HA LEU 47 HA LEU 47 -3.379 0.243 7.946 366 1HB LEU 47 2HB LEU 47 -3.509 1.198 5.783 367 2HB LEU 47 1HB LEU 47 -1.884 1.847 5.891 368 HG LEU 47 HG LEU 47 -1.046 -0.520 5.912 369 1HD1 LEU 47 1HD1 LEU 47 -3.068 -1.637 6.606 370 2HD1 LEU 47 2HD1 LEU 47 -2.537 -2.247 5.038 371 3HD1 LEU 47 3HD1 LEU 47 -3.886 -1.116 5.131 372 1HD2 LEU 47 1HD2 LEU 47 -1.304 -0.813 3.487 373 2HD2 LEU 47 2HD2 LEU 47 -0.927 0.855 3.912 374 3HD2 LEU 47 3HD2 LEU 47 -2.578 0.407 3.483 375 H LEU 48 H LEU 48 -0.329 2.056 7.856 376 HA LEU 48 HA LEU 48 1.278 -0.264 7.861 377 1HB LEU 48 2HB LEU 48 1.978 2.574 8.601 378 2HB LEU 48 1HB LEU 48 3.144 1.293 8.342 379 HG LEU 48 HG LEU 48 1.272 2.423 6.260 380 1HD1 LEU 48 1HD1 LEU 48 3.053 3.964 6.857 381 2HD1 LEU 48 2HD1 LEU 48 3.317 3.300 5.245 382 3HD1 LEU 48 3HD1 LEU 48 4.254 2.695 6.612 383 1HD2 LEU 48 1HD2 LEU 48 2.540 1.043 4.683 384 2HD2 LEU 48 2HD2 LEU 48 1.693 0.060 5.876 385 3HD2 LEU 48 3HD2 LEU 48 3.431 0.329 6.026 386 H GLU 49 H GLU 49 -0.119 1.628 10.433 387 HA GLU 49 HA GLU 49 1.569 0.521 12.483 388 1HB GLU 49 2HB GLU 49 -1.019 2.067 12.685 389 2HB GLU 49 1HB GLU 49 -0.029 1.599 14.058 390 1HG GLU 49 2HG GLU 49 1.846 2.912 12.931 391 2HG GLU 49 1HG GLU 49 0.586 3.583 11.897 392 H SER 50 H SER 50 -1.060 -0.653 10.737 393 HA SER 50 HA SER 50 -2.092 -2.214 12.993 394 1HB SER 50 2HB SER 50 -3.306 -1.824 10.251 395 2HB SER 50 1HB SER 50 -4.083 -2.552 11.657 396 HG SER 50 HG SER 50 -3.298 0.154 11.289 397 H ASP 51 H ASP 51 -2.351 -4.442 12.875 398 HA ASP 51 HA ASP 51 -0.734 -5.845 10.902 399 1HB ASP 51 2HB ASP 51 -0.477 -6.461 13.281 400 2HB ASP 51 1HB ASP 51 -2.187 -6.871 13.356 401 H ASP 52 H ASP 52 -1.812 -6.176 9.018 402 HA ASP 52 HA ASP 52 -4.665 -6.884 9.209 403 1HB ASP 52 2HB ASP 52 -3.361 -4.907 7.363 404 2HB ASP 52 1HB ASP 52 -4.964 -5.570 7.071 405 HA PRO 53 HA PRO 53 -2.873 -10.132 6.525 406 1HB PRO 53 2HB PRO 53 -4.653 -11.914 7.974 407 2HB PRO 53 1HB PRO 53 -2.894 -11.970 7.851 408 1HG PRO 53 2HG PRO 53 -4.201 -11.353 10.156 409 2HG PRO 53 1HG PRO 53 -2.591 -10.728 9.755 410 1HD PRO 53 2HD PRO 53 -5.259 -9.385 9.520 411 2HD PRO 53 1HD PRO 53 -3.710 -8.724 10.091 412 H ASP 54 H ASP 54 -6.169 -9.524 7.660 413 HA ASP 54 HA ASP 54 -7.466 -10.771 5.452 414 1HB ASP 54 2HB ASP 54 -9.503 -9.722 6.266 415 2HB ASP 54 1HB ASP 54 -8.601 -10.381 7.624 416 H LEU 55 H LEU 55 -6.252 -7.584 6.137 417 HA LEU 55 HA LEU 55 -7.330 -6.288 3.854 418 1HB LEU 55 2HB LEU 55 -5.790 -5.597 6.101 419 2HB LEU 55 1HB LEU 55 -4.819 -5.162 4.716 420 HG LEU 55 HG LEU 55 -7.577 -4.170 5.412 421 1HD1 LEU 55 1HD1 LEU 55 -6.455 -1.988 5.425 422 2HD1 LEU 55 2HD1 LEU 55 -4.917 -2.791 5.104 423 3HD1 LEU 55 3HD1 LEU 55 -5.774 -3.098 6.614 424 1HD2 LEU 55 1HD2 LEU 55 -7.491 -2.833 3.373 425 2HD2 LEU 55 2HD2 LEU 55 -7.474 -4.557 3.005 426 3HD2 LEU 55 3HD2 LEU 55 -5.982 -3.622 2.912 427 H PHE 56 H PHE 56 -4.327 -8.033 4.505 428 HA PHE 56 HA PHE 56 -3.012 -7.631 2.083 429 1HB PHE 56 2HB PHE 56 -2.058 -8.795 4.072 430 2HB PHE 56 1HB PHE 56 -3.070 -10.184 3.705 431 HD1 PHE 56 1HD PHE 56 -0.326 -8.082 2.376 432 HD2 PHE 56 2HD PHE 56 -2.380 -11.804 2.159 433 HE1 PHE 56 1HE PHE 56 1.424 -8.959 0.885 434 HE2 PHE 56 2HE PHE 56 -0.636 -12.683 0.664 435 HZ PHE 56 HZ PHE 56 1.270 -11.263 0.028 436 H ALA 57 H ALA 57 -5.711 -9.672 2.915 437 HA ALA 57 HA ALA 57 -5.782 -11.212 0.539 438 1HB ALA 57 1HB ALA 57 -8.073 -10.483 2.357 439 2HB ALA 57 2HB ALA 57 -6.977 -11.846 2.588 440 3HB ALA 57 3HB ALA 57 -8.039 -11.798 1.182 441 H TRP 58 H TRP 58 -6.733 -7.934 1.235 442 HA TRP 58 HA TRP 58 -8.341 -7.678 -1.131 443 1HB TRP 58 2HB TRP 58 -7.313 -5.768 0.911 444 2HB TRP 58 1HB TRP 58 -7.818 -5.132 -0.654 445 HD1 TRP 58 HD TRP 58 -9.217 -7.227 2.236 446 HE1 TRP 58 1HE TRP 58 -11.749 -6.830 2.377 447 HE3 TRP 58 3HE TRP 58 -9.793 -4.287 -1.887 448 HZ2 TRP 58 2HZ TRP 58 -13.746 -5.465 0.913 449 HZ3 TRP 58 3HZ TRP 58 -12.046 -3.479 -2.456 450 HH2 TRP 58 HH TRP 58 -13.981 -4.057 -1.086 451 H VAL 59 H VAL 59 -4.996 -7.221 -0.252 452 HA VAL 59 HA VAL 59 -4.056 -5.917 -2.544 453 HB VAL 59 HB VAL 59 -2.601 -8.065 -0.989 454 1HG1 VAL 59 1HG1 VAL 59 -0.565 -6.994 -1.771 455 2HG1 VAL 59 2HG1 VAL 59 -1.511 -5.791 -2.647 456 3HG1 VAL 59 3HG1 VAL 59 -1.559 -7.482 -3.143 457 1HG2 VAL 59 1HG2 VAL 59 -2.726 -5.091 -0.516 458 2HG2 VAL 59 2HG2 VAL 59 -1.650 -6.212 0.317 459 3HG2 VAL 59 3HG2 VAL 59 -3.396 -6.352 0.523 460 H MET 60 H MET 60 -4.832 -9.302 -1.984 461 HA MET 60 HA MET 60 -4.102 -9.955 -4.742 462 1HB MET 60 2HB MET 60 -4.470 -12.285 -4.119 463 2HB MET 60 1HB MET 60 -3.357 -11.507 -3.005 464 1HG MET 60 2HG MET 60 -5.274 -11.189 -1.443 465 2HG MET 60 1HG MET 60 -6.245 -12.179 -2.532 466 1HE MET 60 1HE MET 60 -4.245 -15.581 -2.421 467 2HE MET 60 2HE MET 60 -3.980 -14.244 -3.539 468 3HE MET 60 3HE MET 60 -5.623 -14.737 -3.128 469 H GLY 61 H GLY 61 -6.774 -8.965 -2.964 470 1HA GLY 61 2HA GLY 61 -8.839 -8.352 -3.780 471 2HA GLY 61 1HA GLY 61 -8.405 -9.065 -5.322 472 H HIS 62 H HIS 62 -8.475 -10.739 -2.200 473 HA HIS 62 HA HIS 62 -10.856 -12.219 -3.090 474 1HB HIS 62 2HB HIS 62 -8.148 -13.312 -2.500 475 2HB HIS 62 1HB HIS 62 -9.538 -14.261 -2.001 476 HD1 HIS 62 1HD HIS 62 -8.039 -15.738 -3.932 477 HD2 HIS 62 2HD HIS 62 -10.668 -12.769 -5.187 478 HE1 HIS 62 1HE HIS 62 -8.533 -16.241 -6.350 479 HE2 HIS 62 2HE HIS 62 -10.266 -14.541 -7.031 480 H GLY 63 H GLY 63 -10.154 -10.172 -0.920 481 1HA GLY 63 2HA GLY 63 -11.150 -11.796 1.334 482 2HA GLY 63 1HA GLY 63 -9.866 -10.619 1.560 483 H ARG 64 H ARG 64 -11.762 -10.191 3.213 484 HA ARG 64 HA ARG 64 -13.089 -7.808 2.168 485 1HB ARG 64 2HB ARG 64 -14.418 -10.105 3.537 486 2HB ARG 64 1HB ARG 64 -15.022 -8.480 3.825 487 1HG ARG 64 2HG ARG 64 -14.684 -9.691 1.091 488 2HG ARG 64 1HG ARG 64 -16.196 -9.705 2.006 489 1HD ARG 64 2HD ARG 64 -16.411 -7.375 1.906 490 2HD ARG 64 1HD ARG 64 -14.720 -7.149 1.467 491 HE ARG 64 HE ARG 64 -15.700 -8.542 -0.631 492 1HH1 ARG 64 1HH1 ARG 64 -16.852 -5.675 1.040 493 2HH1 ARG 64 2HH1 ARG 64 -17.464 -4.927 -0.407 494 1HH2 ARG 64 1HH2 ARG 64 -16.517 -7.562 -2.535 495 2HH2 ARG 64 2HH2 ARG 64 -17.259 -5.987 -2.440 496 H CYS 65 H CYS 65 -13.452 -6.194 3.703 497 HA CYS 65 HA CYS 65 -12.131 -6.540 6.290 498 1HB CYS 65 2HB CYS 65 -11.537 -4.384 4.261 499 2HB CYS 65 1HB CYS 65 -11.078 -4.268 5.958 500 HG CYS 65 HG CYS 65 -9.493 -6.622 5.852 501 H GLU 66 H GLU 66 -12.651 -4.778 7.813 502 HA GLU 66 HA GLU 66 -15.489 -4.370 7.719 503 1HB GLU 66 2HB GLU 66 -13.469 -3.486 9.779 504 2HB GLU 66 1HB GLU 66 -15.216 -3.467 9.980 505 1HG GLU 66 2HG GLU 66 -13.502 -5.905 9.569 506 2HG GLU 66 1HG GLU 66 -14.232 -5.385 11.086 507 H ASN 67 H ASN 67 -12.647 -2.269 7.428 508 HA ASN 67 HA ASN 67 -14.516 -0.069 6.879 509 1HB ASN 67 2HB ASN 67 -12.655 1.481 7.386 510 2HB ASN 67 1HB ASN 67 -13.107 0.486 8.760 511 1HD2 ASN 67 1HD2 ASN 67 -10.646 1.923 8.212 512 2HD2 ASN 67 2HD2 ASN 67 -9.383 0.741 8.268 513 H LEU 68 H LEU 68 -14.805 0.315 4.842 514 HA LEU 68 HA LEU 68 -13.110 -0.795 2.841 515 1HB LEU 68 2HB LEU 68 -15.466 1.065 2.691 516 2HB LEU 68 1HB LEU 68 -14.619 0.477 1.275 517 HG LEU 68 HG LEU 68 -16.152 -1.170 3.287 518 1HD1 LEU 68 1HD1 LEU 68 -17.580 -1.706 1.401 519 2HD1 LEU 68 2HD1 LEU 68 -16.588 -0.703 0.342 520 3HD1 LEU 68 3HD1 LEU 68 -17.514 0.040 1.648 521 1HD2 LEU 68 1HD2 LEU 68 -14.553 -2.096 0.903 522 2HD2 LEU 68 2HD2 LEU 68 -15.592 -3.107 1.909 523 3HD2 LEU 68 3HD2 LEU 68 -14.145 -2.370 2.597 524 H GLY 69 H GLY 69 -12.999 2.130 4.548 525 1HA GLY 69 2HA GLY 69 -11.762 3.860 2.742 526 2HA GLY 69 1HA GLY 69 -11.447 3.829 4.473 527 H LEU 70 H LEU 70 -10.288 1.418 4.863 528 HA LEU 70 HA LEU 70 -7.659 1.744 3.885 529 1HB LEU 70 2HB LEU 70 -9.051 -0.510 5.320 530 2HB LEU 70 1HB LEU 70 -7.374 -0.632 4.809 531 HG LEU 70 HG LEU 70 -8.512 1.357 6.771 532 1HD1 LEU 70 1HD1 LEU 70 -7.100 0.201 8.379 533 2HD1 LEU 70 2HD1 LEU 70 -6.556 -0.909 7.122 534 3HD1 LEU 70 3HD1 LEU 70 -8.244 -0.918 7.637 535 1HD2 LEU 70 1HD2 LEU 70 -6.761 2.386 5.415 536 2HD2 LEU 70 2HD2 LEU 70 -5.684 1.038 5.776 537 3HD2 LEU 70 3HD2 LEU 70 -6.209 2.116 7.069 538 H ALA 71 H ALA 71 -10.332 -0.331 2.967 539 HA ALA 71 HA ALA 71 -8.983 -1.988 1.160 540 1HB ALA 71 1HB ALA 71 -11.187 -2.513 0.276 541 2HB ALA 71 2HB ALA 71 -11.870 -1.128 1.127 542 3HB ALA 71 3HB ALA 71 -11.206 -2.484 2.040 543 H ALA 72 H ALA 72 -10.557 1.142 0.721 544 HA ALA 72 HA ALA 72 -10.420 1.274 -2.076 545 1HB ALA 72 1HB ALA 72 -11.773 2.792 -0.702 546 2HB ALA 72 2HB ALA 72 -10.721 3.670 -1.812 547 3HB ALA 72 3HB ALA 72 -10.299 3.553 -0.104 548 H MET 73 H MET 73 -8.121 2.367 0.408 549 HA MET 73 HA MET 73 -6.214 3.461 -1.334 550 1HB MET 73 2HB MET 73 -6.163 2.445 1.462 551 2HB MET 73 1HB MET 73 -4.623 2.655 0.647 552 1HG MET 73 2HG MET 73 -5.143 4.604 1.953 553 2HG MET 73 1HG MET 73 -5.162 5.006 0.240 554 1HE MET 73 1HE MET 73 -7.075 6.253 -0.888 555 2HE MET 73 2HE MET 73 -8.769 5.929 -0.526 556 3HE MET 73 3HE MET 73 -7.722 4.624 -1.085 557 H VAL 74 H VAL 74 -6.510 0.192 0.008 558 HA VAL 74 HA VAL 74 -4.198 -0.859 -1.213 559 HB VAL 74 HB VAL 74 -6.687 -2.282 -0.259 560 1HG1 VAL 74 1HG1 VAL 74 -5.267 -4.293 -0.191 561 2HG1 VAL 74 2HG1 VAL 74 -3.973 -3.386 -0.973 562 3HG1 VAL 74 3HG1 VAL 74 -5.484 -3.685 -1.832 563 1HG2 VAL 74 1HG2 VAL 74 -5.385 -2.751 1.734 564 2HG2 VAL 74 2HG2 VAL 74 -5.493 -1.010 1.468 565 3HG2 VAL 74 3HG2 VAL 74 -4.010 -1.876 1.064 566 H ASP 75 H ASP 75 -7.577 -0.753 -2.246 567 HA ASP 75 HA ASP 75 -7.436 -2.344 -4.523 568 1HB ASP 75 2HB ASP 75 -9.538 -1.483 -3.617 569 2HB ASP 75 1HB ASP 75 -9.072 0.158 -4.046 570 H LYS 76 H LYS 76 -6.708 1.090 -4.126 571 HA LYS 76 HA LYS 76 -6.071 1.555 -6.847 572 1HB LYS 76 2HB LYS 76 -5.220 3.057 -4.366 573 2HB LYS 76 1HB LYS 76 -5.030 3.640 -6.016 574 1HG LYS 76 2HG LYS 76 -7.438 3.640 -6.322 575 2HG LYS 76 1HG LYS 76 -7.659 2.985 -4.705 576 1HD LYS 76 2HD LYS 76 -8.094 5.368 -4.718 577 2HD LYS 76 1HD LYS 76 -6.660 5.015 -3.754 578 1HE LYS 76 2HE LYS 76 -5.218 5.784 -5.465 579 2HE LYS 76 1HE LYS 76 -6.530 5.845 -6.639 580 1HZ LYS 76 1HZ LYS 76 -7.514 7.663 -5.484 581 2HZ LYS 76 2HZ LYS 76 -5.883 8.048 -5.742 582 3HZ LYS 76 3HZ LYS 76 -6.407 7.552 -4.204 583 H ILE 77 H ILE 77 -4.188 0.493 -4.072 584 HA ILE 77 HA ILE 77 -1.630 0.600 -5.278 585 HB ILE 77 HB ILE 77 -2.626 -1.290 -3.132 586 1HG1 ILE 77 2HG1 ILE 77 -1.166 1.352 -2.878 587 2HG1 ILE 77 1HG1 ILE 77 -2.872 1.094 -2.528 588 1HG2 ILE 77 1HG2 ILE 77 -0.244 -1.505 -2.529 589 2HG2 ILE 77 2HG2 ILE 77 0.178 -0.548 -3.949 590 3HG2 ILE 77 3HG2 ILE 77 -0.595 -2.121 -4.144 591 1HD1 ILE 77 1HD1 ILE 77 -0.571 -0.199 -1.076 592 2HD1 ILE 77 2HD1 ILE 77 -2.284 -0.415 -0.713 593 3HD1 ILE 77 3HD1 ILE 77 -1.528 1.163 -0.496 594 H VAL 78 H VAL 78 -4.095 -1.942 -5.075 595 HA VAL 78 HA VAL 78 -2.696 -3.975 -6.400 596 HB VAL 78 HB VAL 78 -5.677 -3.471 -6.398 597 1HG1 VAL 78 1HG1 VAL 78 -5.916 -5.848 -6.896 598 2HG1 VAL 78 2HG1 VAL 78 -4.164 -6.017 -6.982 599 3HG1 VAL 78 3HG1 VAL 78 -5.012 -5.030 -8.172 600 1HG2 VAL 78 1HG2 VAL 78 -3.961 -5.151 -4.577 601 2HG2 VAL 78 2HG2 VAL 78 -5.723 -5.103 -4.559 602 3HG2 VAL 78 3HG2 VAL 78 -4.796 -3.658 -4.148 603 H ALA 79 H ALA 79 -4.784 -1.410 -7.657 604 HA ALA 79 HA ALA 79 -4.755 -2.122 -10.357 605 1HB ALA 79 1HB ALA 79 -4.809 0.653 -9.179 606 2HB ALA 79 2HB ALA 79 -6.209 -0.385 -9.446 607 3HB ALA 79 3HB ALA 79 -5.282 0.216 -10.821 608 H HIS 80 H HIS 80 -2.391 -0.339 -8.440 609 HA HIS 80 HA HIS 80 -0.724 0.370 -10.651 610 1HB HIS 80 2HB HIS 80 -0.833 1.407 -8.264 611 2HB HIS 80 1HB HIS 80 0.273 0.111 -7.826 612 HD1 HIS 80 1HD HIS 80 0.038 3.174 -9.996 613 HD2 HIS 80 2HD HIS 80 2.912 0.509 -8.595 614 HE1 HIS 80 1HE HIS 80 2.260 4.206 -10.569 615 HE2 HIS 80 2HE HIS 80 3.983 2.647 -9.608 616 H ASN 81 H ASN 81 -0.830 -2.294 -8.372 617 HA ASN 81 HA ASN 81 1.622 -3.513 -9.102 618 1HB ASN 81 2HB ASN 81 0.392 -4.003 -6.991 619 2HB ASN 81 1HB ASN 81 -0.848 -4.822 -7.935 620 1HD2 ASN 81 1HD2 ASN 81 -0.519 -6.799 -6.970 621 2HD2 ASN 81 2HD2 ASN 81 0.897 -7.748 -7.246 622 H LEU 82 H LEU 82 -1.667 -3.778 -10.293 623 HA LEU 82 HA LEU 82 -1.471 -6.003 -11.934 624 1HB LEU 82 2HB LEU 82 -3.502 -4.561 -11.408 625 2HB LEU 82 1HB LEU 82 -2.942 -3.471 -12.655 626 HG LEU 82 HG LEU 82 -3.456 -6.359 -13.307 627 1HD1 LEU 82 1HD1 LEU 82 -5.750 -5.764 -13.916 628 2HD1 LEU 82 2HD1 LEU 82 -5.512 -4.148 -13.249 629 3HD1 LEU 82 3HD1 LEU 82 -5.473 -5.555 -12.187 630 1HD2 LEU 82 1HD2 LEU 82 -2.313 -4.979 -14.969 631 2HD2 LEU 82 2HD2 LEU 82 -3.627 -3.805 -14.908 632 3HD2 LEU 82 3HD2 LEU 82 -3.927 -5.430 -15.523 633 H SER 83 H SER 83 -0.468 -2.671 -12.528 634 HA SER 83 HA SER 83 0.317 -2.978 -15.203 635 1HB SER 83 2HB SER 83 1.509 -1.117 -13.135 636 2HB SER 83 1HB SER 83 1.584 -0.925 -14.888 637 HG SER 83 HG SER 83 -0.169 0.159 -13.449 638 H LYS 84 H LYS 84 2.096 -3.444 -12.180 639 HA LYS 84 HA LYS 84 4.603 -4.014 -13.327 640 1HB LYS 84 2HB LYS 84 3.351 -4.789 -10.700 641 2HB LYS 84 1HB LYS 84 4.988 -5.259 -11.132 642 1HG LYS 84 2HG LYS 84 5.673 -2.963 -11.273 643 2HG LYS 84 1HG LYS 84 4.014 -2.415 -11.016 644 1HD LYS 84 2HD LYS 84 4.003 -3.193 -8.782 645 2HD LYS 84 1HD LYS 84 5.481 -4.125 -9.022 646 1HE LYS 84 2HE LYS 84 5.289 -1.118 -9.117 647 2HE LYS 84 1HE LYS 84 5.850 -2.053 -7.730 648 1HZ LYS 84 1HZ LYS 84 7.139 -1.758 -10.384 649 2HZ LYS 84 2HZ LYS 84 7.551 -3.011 -9.322 650 3HZ LYS 84 3HZ LYS 84 7.779 -1.400 -8.854 651 H VAL 85 H VAL 85 1.775 -5.979 -12.723 652 HA VAL 85 HA VAL 85 3.061 -8.490 -13.253 653 HB VAL 85 HB VAL 85 0.112 -7.805 -13.267 654 1HG1 VAL 85 1HG1 VAL 85 0.585 -9.887 -14.455 655 2HG1 VAL 85 2HG1 VAL 85 -0.252 -10.202 -12.935 656 3HG1 VAL 85 3HG1 VAL 85 1.485 -10.488 -13.063 657 1HG2 VAL 85 1HG2 VAL 85 1.164 -7.315 -11.119 658 2HG2 VAL 85 2HG2 VAL 85 1.823 -8.950 -11.062 659 3HG2 VAL 85 3HG2 VAL 85 0.078 -8.700 -10.999 660 H ARG 86 H ARG 86 1.301 -6.113 -15.152 661 HA ARG 86 HA ARG 86 1.249 -7.820 -17.488 662 1HB ARG 86 2HB ARG 86 0.018 -6.129 -18.553 663 2HB ARG 86 1HB ARG 86 -0.505 -6.100 -16.881 664 1HG ARG 86 2HG ARG 86 0.940 -4.172 -16.458 665 2HG ARG 86 1HG ARG 86 1.416 -4.180 -18.159 666 1HD ARG 86 2HD ARG 86 -0.908 -3.820 -18.819 667 2HD ARG 86 1HD ARG 86 -1.399 -3.836 -17.126 668 HE ARG 86 HE ARG 86 0.600 -1.855 -17.819 669 1HH1 ARG 86 1HH1 ARG 86 -2.821 -2.551 -17.522 670 2HH1 ARG 86 2HH1 ARG 86 -3.272 -0.887 -17.280 671 1HH2 ARG 86 1HH2 ARG 86 0.012 0.336 -17.516 672 2HH2 ARG 86 2HH2 ARG 86 -1.659 0.747 -17.267 673 H LEU 87 H LEU 87 3.496 -5.892 -15.991 674 HA LEU 87 HA LEU 87 4.969 -5.199 -18.371 675 1HB LEU 87 2HB LEU 87 5.565 -4.987 -15.435 676 2HB LEU 87 1HB LEU 87 6.773 -4.630 -16.650 677 HG LEU 87 HG LEU 87 4.130 -3.206 -16.343 678 1HD1 LEU 87 1HD1 LEU 87 5.673 -2.683 -14.532 679 2HD1 LEU 87 2HD1 LEU 87 5.492 -1.306 -15.617 680 3HD1 LEU 87 3HD1 LEU 87 6.939 -2.308 -15.702 681 1HD2 LEU 87 1HD2 LEU 87 5.011 -1.653 -18.009 682 2HD2 LEU 87 2HD2 LEU 87 4.872 -3.284 -18.666 683 3HD2 LEU 87 3HD2 LEU 87 6.450 -2.656 -18.191 684 H GLU 88 H GLU 88 6.122 -7.024 -15.526 685 HA GLU 88 HA GLU 88 7.670 -8.677 -17.410 686 1HB GLU 88 2HB GLU 88 8.284 -8.026 -14.525 687 2HB GLU 88 1HB GLU 88 9.269 -9.030 -15.577 688 1HG GLU 88 2HG GLU 88 9.677 -7.111 -17.028 689 2HG GLU 88 1HG GLU 88 8.689 -6.107 -15.965 690 H HIS 89 H HIS 89 6.653 -10.541 -17.727 691 HA HIS 89 HA HIS 89 5.886 -12.631 -17.353 692 1HB HIS 89 2HB HIS 89 7.118 -12.114 -14.663 693 2HB HIS 89 1HB HIS 89 6.256 -13.611 -15.002 694 HD1 HIS 89 1HD HIS 89 9.505 -11.977 -15.421 695 HD2 HIS 89 2HD HIS 89 7.458 -15.159 -17.147 696 HE1 HIS 89 1HE HIS 89 11.240 -13.310 -16.659 697 HE2 HIS 89 2HE HIS 89 10.017 -15.365 -17.456 698 H HIS 90 H HIS 90 3.805 -12.918 -17.504 699 HA HIS 90 HA HIS 90 2.029 -11.373 -15.784 700 1HB HIS 90 2HB HIS 90 1.242 -13.155 -18.093 701 2HB HIS 90 1HB HIS 90 0.298 -11.859 -17.366 702 HD1 HIS 90 1HD HIS 90 2.319 -9.567 -17.406 703 HD2 HIS 90 2HD HIS 90 1.777 -12.211 -20.574 704 HE1 HIS 90 1HE HIS 90 3.189 -8.377 -19.445 705 HE2 HIS 90 2HE HIS 90 2.984 -10.045 -21.318 706 H HIS 91 H HIS 91 1.911 -12.380 -13.835 707 HA HIS 91 HA HIS 91 0.987 -15.178 -13.832 708 1HB HIS 91 2HB HIS 91 2.303 -13.602 -11.605 709 2HB HIS 91 1HB HIS 91 1.738 -15.264 -11.477 710 HD1 HIS 91 1HD HIS 91 4.699 -13.377 -12.089 711 HD2 HIS 91 2HD HIS 91 3.168 -16.980 -13.490 712 HE1 HIS 91 1HE HIS 91 6.675 -14.651 -12.983 713 HE2 HIS 91 2HE HIS 91 5.749 -16.894 -13.671 714 H HIS 92 H HIS 92 -1.181 -15.149 -13.823 715 HA HIS 92 HA HIS 92 -2.489 -13.465 -11.782 716 1HB HIS 92 2HB HIS 92 -2.781 -12.671 -14.205 717 2HB HIS 92 1HB HIS 92 -3.740 -14.125 -14.452 718 HD1 HIS 92 1HD HIS 92 -6.143 -14.102 -13.609 719 HD2 HIS 92 2HD HIS 92 -3.954 -10.756 -12.450 720 HE1 HIS 92 1HE HIS 92 -7.821 -12.491 -12.643 721 HE2 HIS 92 2HE HIS 92 -6.467 -10.506 -11.869 722 H HIS 93 H HIS 93 -1.679 -16.464 -12.561 723 HA HIS 93 HA HIS 93 -2.421 -18.563 -12.183 724 1HB HIS 93 2HB HIS 93 -4.244 -17.090 -10.279 725 2HB HIS 93 1HB HIS 93 -4.243 -18.843 -10.421 726 HD1 HIS 93 1HD HIS 93 -2.173 -15.986 -9.172 727 HD2 HIS 93 2HD HIS 93 -2.063 -20.132 -9.256 728 HE1 HIS 93 1HE HIS 93 -0.315 -16.639 -7.616 729 HE2 HIS 93 2HE HIS 93 -0.126 -19.137 -7.867 730 H HIS 94 H HIS 94 -3.075 -18.710 -14.352 731 HA HIS 94 HA HIS 94 -5.993 -18.687 -14.743 732 1HB HIS 94 2HB HIS 94 -4.795 -16.779 -15.890 733 2HB HIS 94 1HB HIS 94 -3.939 -17.974 -16.851 734 HD1 HIS 94 1HD HIS 94 -5.786 -15.803 -18.102 735 HD2 HIS 94 2HD HIS 94 -6.944 -19.706 -17.259 736 HE1 HIS 94 1HE HIS 94 -7.742 -16.268 -19.602 737 HE2 HIS 94 2HE HIS 94 -8.261 -18.707 -19.251 Start of MODEL 14 1 1H MET 1 1HT MET 1 0.587 18.747 4.543 2 2H MET 1 2HT MET 1 -0.750 19.780 4.647 3 3H MET 1 3HT MET 1 -0.914 18.142 5.060 4 HA MET 1 HA MET 1 0.675 20.185 6.495 5 1HB MET 1 2HB MET 1 -1.835 20.171 6.792 6 2HB MET 1 1HB MET 1 -1.681 18.549 7.457 7 1HG MET 1 2HG MET 1 -0.288 19.404 9.257 8 2HG MET 1 1HG MET 1 -0.376 21.023 8.568 9 1HE MET 1 1HE MET 1 -1.215 22.135 10.762 10 2HE MET 1 2HE MET 1 -1.048 20.583 11.584 11 3HE MET 1 3HE MET 1 -2.538 21.511 11.748 12 H TYR 2 H TYR 2 -0.166 16.767 6.093 13 HA TYR 2 HA TYR 2 1.652 15.805 8.057 14 1HB TYR 2 2HB TYR 2 0.367 14.560 5.652 15 2HB TYR 2 1HB TYR 2 1.565 13.682 6.586 16 HD1 TYR 2 1HD TYR 2 -1.859 15.040 6.608 17 HD2 TYR 2 2HD TYR 2 1.080 12.895 8.802 18 HE1 TYR 2 1HE TYR 2 -3.585 14.312 8.206 19 HE2 TYR 2 2HE TYR 2 -0.630 12.160 10.399 20 HH TYR 2 HH TYR 2 -3.861 12.280 9.853 21 H THR 3 H THR 3 3.624 16.594 7.956 22 HA THR 3 HA THR 3 5.019 16.724 5.381 23 HB THR 3 HB THR 3 6.562 18.308 6.647 24 HG1 THR 3 1HG THR 3 6.228 18.340 8.733 25 1HG2 THR 3 1HG2 THR 3 3.654 19.074 6.407 26 2HG2 THR 3 2HG2 THR 3 4.841 19.105 5.102 27 3HG2 THR 3 3HG2 THR 3 5.016 20.192 6.480 28 H ALA 4 H ALA 4 7.633 16.996 6.476 29 HA ALA 4 HA ALA 4 8.547 14.405 6.282 30 1HB ALA 4 1HB ALA 4 9.948 16.699 7.643 31 2HB ALA 4 2HB ALA 4 9.913 16.406 5.905 32 3HB ALA 4 3HB ALA 4 10.704 15.252 6.978 33 H GLU 5 H GLU 5 7.865 16.253 9.250 34 HA GLU 5 HA GLU 5 8.913 14.400 11.077 35 1HB GLU 5 2HB GLU 5 6.456 16.048 11.593 36 2HB GLU 5 1HB GLU 5 7.660 15.500 12.747 37 1HG GLU 5 2HG GLU 5 8.361 17.617 12.550 38 2HG GLU 5 1HG GLU 5 9.231 16.957 11.171 39 H GLN 6 H GLN 6 5.706 14.734 9.678 40 HA GLN 6 HA GLN 6 4.557 12.542 11.067 41 1HB GLN 6 2HB GLN 6 3.654 13.929 8.540 42 2HB GLN 6 1HB GLN 6 2.681 12.835 9.511 43 1HG GLN 6 2HG GLN 6 3.789 15.487 10.412 44 2HG GLN 6 1HG GLN 6 2.115 15.155 9.972 45 1HE2 GLN 6 1HE2 GLN 6 0.803 14.045 11.393 46 2HE2 GLN 6 2HE2 GLN 6 1.252 13.725 13.032 47 H LYS 7 H LYS 7 6.192 12.902 7.974 48 HA LYS 7 HA LYS 7 5.656 10.316 6.985 49 1HB LYS 7 2HB LYS 7 7.632 12.435 6.383 50 2HB LYS 7 1HB LYS 7 8.087 10.799 5.916 51 1HG LYS 7 2HG LYS 7 5.917 10.622 4.698 52 2HG LYS 7 1HG LYS 7 5.643 12.331 5.048 53 1HD LYS 7 2HD LYS 7 7.503 12.993 3.743 54 2HD LYS 7 1HD LYS 7 8.120 11.341 3.652 55 1HE LYS 7 2HE LYS 7 6.160 10.698 2.320 56 2HE LYS 7 1HE LYS 7 5.571 12.358 2.393 57 1HZ LYS 7 1HZ LYS 7 6.801 11.694 0.312 58 2HZ LYS 7 2HZ LYS 7 8.211 11.654 1.247 59 3HZ LYS 7 3HZ LYS 7 7.355 13.107 1.074 60 H ALA 8 H ALA 8 8.066 11.527 9.239 61 HA ALA 8 HA ALA 8 9.598 9.175 9.469 62 1HB ALA 8 1HB ALA 8 10.317 11.338 10.383 63 2HB ALA 8 2HB ALA 8 10.348 10.069 11.608 64 3HB ALA 8 3HB ALA 8 9.034 11.245 11.591 65 H ARG 9 H ARG 9 6.598 10.210 11.004 66 HA ARG 9 HA ARG 9 6.335 8.093 12.845 67 1HB ARG 9 2HB ARG 9 4.008 9.390 11.441 68 2HB ARG 9 1HB ARG 9 4.062 8.722 13.066 69 1HG ARG 9 2HG ARG 9 5.438 11.228 12.120 70 2HG ARG 9 1HG ARG 9 3.994 11.133 13.125 71 1HD ARG 9 2HD ARG 9 5.232 10.135 14.917 72 2HD ARG 9 1HD ARG 9 6.670 9.997 13.902 73 HE ARG 9 HE ARG 9 5.660 12.685 14.249 74 1HH1 ARG 9 1HH1 ARG 9 7.825 10.215 15.473 75 2HH1 ARG 9 2HH1 ARG 9 8.920 11.364 16.197 76 1HH2 ARG 9 1HH2 ARG 9 7.093 14.190 15.195 77 2HH2 ARG 9 2HH2 ARG 9 8.496 13.614 16.050 78 H ILE 10 H ILE 10 5.414 8.486 9.488 79 HA ILE 10 HA ILE 10 4.070 6.038 9.122 80 HB ILE 10 HB ILE 10 5.595 7.663 7.074 81 1HG1 ILE 10 2HG1 ILE 10 2.667 7.732 7.840 82 2HG1 ILE 10 1HG1 ILE 10 3.856 8.962 8.257 83 1HG2 ILE 10 1HG2 ILE 10 4.085 6.574 5.445 84 2HG2 ILE 10 2HG2 ILE 10 3.465 5.556 6.745 85 3HG2 ILE 10 3HG2 ILE 10 5.156 5.433 6.260 86 1HD1 ILE 10 1HD1 ILE 10 2.456 9.627 6.368 87 2HD1 ILE 10 2HD1 ILE 10 3.020 8.221 5.464 88 3HD1 ILE 10 3HD1 ILE 10 4.154 9.494 5.913 89 H LYS 11 H LYS 11 7.454 6.989 8.722 90 HA LYS 11 HA LYS 11 8.475 4.637 7.653 91 1HB LYS 11 2HB LYS 11 9.700 6.811 7.950 92 2HB LYS 11 1HB LYS 11 9.891 6.411 9.650 93 1HG LYS 11 2HG LYS 11 11.182 4.433 9.054 94 2HG LYS 11 1HG LYS 11 10.961 4.800 7.342 95 1HD LYS 11 2HD LYS 11 12.134 6.958 7.705 96 2HD LYS 11 1HD LYS 11 12.440 6.474 9.374 97 1HE LYS 11 2HE LYS 11 13.666 4.500 8.541 98 2HE LYS 11 1HE LYS 11 13.403 5.058 6.889 99 1HZ LYS 11 1HZ LYS 11 14.645 7.094 7.458 100 2HZ LYS 11 2HZ LYS 11 15.585 5.694 7.621 101 3HZ LYS 11 3HZ LYS 11 14.967 6.458 8.999 102 H TRP 12 H TRP 12 7.779 5.450 11.032 103 HA TRP 12 HA TRP 12 8.908 3.138 12.192 104 1HB TRP 12 2HB TRP 12 6.804 5.077 13.081 105 2HB TRP 12 1HB TRP 12 7.082 3.611 14.000 106 HD1 TRP 12 HD TRP 12 9.182 6.637 12.729 107 HE1 TRP 12 1HE TRP 12 10.958 7.144 14.532 108 HE3 TRP 12 3HE TRP 12 8.130 2.841 15.949 109 HZ2 TRP 12 2HZ TRP 12 11.793 6.050 17.007 110 HZ3 TRP 12 3HZ TRP 12 9.450 2.620 18.020 111 HH2 TRP 12 HH TRP 12 11.248 4.199 18.538 112 H ALA 13 H ALA 13 5.740 3.778 10.805 113 HA ALA 13 HA ALA 13 4.569 1.306 11.603 114 1HB ALA 13 1HB ALA 13 2.786 1.868 10.025 115 2HB ALA 13 2HB ALA 13 3.768 3.185 9.381 116 3HB ALA 13 3HB ALA 13 3.198 3.244 11.049 117 H CYS 14 H CYS 14 6.239 2.431 8.713 118 HA CYS 14 HA CYS 14 5.848 0.083 7.174 119 1HB CYS 14 2HB CYS 14 8.093 2.104 6.982 120 2HB CYS 14 1HB CYS 14 7.596 0.973 5.727 121 HG CYS 14 HG CYS 14 5.761 3.617 6.893 122 H ARG 15 H ARG 15 8.425 1.174 9.343 123 HA ARG 15 HA ARG 15 9.897 -1.298 9.014 124 1HB ARG 15 2HB ARG 15 10.990 0.956 9.364 125 2HB ARG 15 1HB ARG 15 10.407 0.906 11.022 126 1HG ARG 15 2HG ARG 15 11.687 -1.157 11.392 127 2HG ARG 15 1HG ARG 15 12.296 -1.059 9.741 128 1HD ARG 15 2HD ARG 15 13.378 1.056 10.243 129 2HD ARG 15 1HD ARG 15 12.719 1.024 11.880 130 HE ARG 15 HE ARG 15 14.049 -1.180 12.023 131 1HH1 ARG 15 1HH1 ARG 15 15.041 1.688 10.283 132 2HH1 ARG 15 2HH1 ARG 15 16.740 1.321 10.401 133 1HH2 ARG 15 1HH2 ARG 15 16.244 -1.660 12.212 134 2HH2 ARG 15 2HH2 ARG 15 17.434 -0.594 11.511 135 H ARG 16 H ARG 16 7.167 -1.371 10.071 136 HA ARG 16 HA ARG 16 7.120 -1.996 12.803 137 1HB ARG 16 2HB ARG 16 5.061 -1.721 11.590 138 2HB ARG 16 1HB ARG 16 5.474 -3.027 10.488 139 1HG ARG 16 2HG ARG 16 5.404 -4.582 12.448 140 2HG ARG 16 1HG ARG 16 4.749 -3.242 13.394 141 1HD ARG 16 2HD ARG 16 2.793 -3.145 12.097 142 2HD ARG 16 1HD ARG 16 3.498 -4.126 10.809 143 HE ARG 16 HE ARG 16 3.034 -5.294 13.465 144 1HH1 ARG 16 1HH1 ARG 16 2.324 -5.165 10.049 145 2HH1 ARG 16 2HH1 ARG 16 1.549 -6.711 10.006 146 1HH2 ARG 16 1HH2 ARG 16 2.001 -7.320 13.452 147 2HH2 ARG 16 2HH2 ARG 16 1.306 -7.923 11.976 148 H GLY 17 H GLY 17 7.900 -3.919 9.962 149 1HA GLY 17 2HA GLY 17 9.684 -5.672 10.924 150 2HA GLY 17 1HA GLY 17 8.172 -6.362 11.505 151 H MET 18 H MET 18 6.702 -5.367 9.162 152 HA MET 18 HA MET 18 7.247 -7.540 7.368 153 1HB MET 18 2HB MET 18 4.940 -6.754 7.906 154 2HB MET 18 1HB MET 18 5.287 -5.249 7.069 155 1HG MET 18 2HG MET 18 3.984 -6.781 5.694 156 2HG MET 18 1HG MET 18 5.556 -6.432 4.981 157 1HE MET 18 1HE MET 18 4.680 -10.162 3.961 158 2HE MET 18 2HE MET 18 5.039 -8.548 3.349 159 3HE MET 18 3HE MET 18 3.534 -8.847 4.219 160 H LEU 19 H LEU 19 9.490 -6.689 7.067 161 HA LEU 19 HA LEU 19 10.013 -4.299 5.689 162 1HB LEU 19 2HB LEU 19 11.627 -6.828 5.937 163 2HB LEU 19 1HB LEU 19 12.232 -5.339 5.250 164 HG LEU 19 HG LEU 19 11.325 -5.724 8.102 165 1HD1 LEU 19 1HD1 LEU 19 13.456 -6.808 7.593 166 2HD1 LEU 19 2HD1 LEU 19 13.674 -5.420 8.659 167 3HD1 LEU 19 3HD1 LEU 19 14.074 -5.290 6.945 168 1HD2 LEU 19 1HD2 LEU 19 12.123 -3.462 8.482 169 2HD2 LEU 19 2HD2 LEU 19 10.849 -3.465 7.262 170 3HD2 LEU 19 3HD2 LEU 19 12.536 -3.301 6.775 171 H GLU 20 H GLU 20 9.011 -7.408 4.607 172 HA GLU 20 HA GLU 20 9.786 -7.379 1.939 173 1HB GLU 20 2HB GLU 20 7.157 -8.388 3.046 174 2HB GLU 20 1HB GLU 20 7.868 -8.833 1.501 175 1HG GLU 20 2HG GLU 20 9.826 -9.746 2.800 176 2HG GLU 20 1HG GLU 20 8.851 -9.520 4.252 177 H LEU 21 H LEU 21 7.189 -5.677 3.568 178 HA LEU 21 HA LEU 21 6.281 -4.552 1.031 179 1HB LEU 21 2HB LEU 21 5.153 -4.311 3.819 180 2HB LEU 21 1HB LEU 21 4.479 -3.515 2.410 181 HG LEU 21 HG LEU 21 4.641 -6.491 2.874 182 1HD1 LEU 21 1HD1 LEU 21 2.291 -4.613 2.729 183 2HD1 LEU 21 2HD1 LEU 21 2.921 -5.380 4.187 184 3HD1 LEU 21 3HD1 LEU 21 2.206 -6.364 2.910 185 1HD2 LEU 21 1HD2 LEU 21 4.979 -6.000 0.519 186 2HD2 LEU 21 2HD2 LEU 21 3.557 -4.956 0.514 187 3HD2 LEU 21 3HD2 LEU 21 3.377 -6.690 0.779 188 H ASP 22 H ASP 22 7.931 -3.684 3.980 189 HA ASP 22 HA ASP 22 7.856 -0.947 4.002 190 1HB ASP 22 2HB ASP 22 8.990 -2.103 5.747 191 2HB ASP 22 1HB ASP 22 10.123 -2.838 4.620 192 H VAL 23 H VAL 23 9.968 -2.987 2.037 193 HA VAL 23 HA VAL 23 11.401 -0.774 0.931 194 HB VAL 23 HB VAL 23 12.454 -2.446 -0.541 195 1HG1 VAL 23 1HG1 VAL 23 13.610 -3.661 1.234 196 2HG1 VAL 23 2HG1 VAL 23 12.324 -3.245 2.366 197 3HG1 VAL 23 3HG1 VAL 23 13.346 -1.977 1.689 198 1HG2 VAL 23 1HG2 VAL 23 10.620 -4.405 0.846 199 2HG2 VAL 23 2HG2 VAL 23 11.946 -4.828 -0.238 200 3HG2 VAL 23 3HG2 VAL 23 10.551 -3.943 -0.854 201 H VAL 24 H VAL 24 8.364 -2.057 0.191 202 HA VAL 24 HA VAL 24 8.586 -1.061 -2.575 203 HB VAL 24 HB VAL 24 6.756 -2.528 -3.238 204 1HG1 VAL 24 1HG1 VAL 24 9.067 -3.298 -3.441 205 2HG1 VAL 24 2HG1 VAL 24 7.951 -4.634 -3.162 206 3HG1 VAL 24 3HG1 VAL 24 8.958 -4.035 -1.844 207 1HG2 VAL 24 1HG2 VAL 24 5.547 -2.690 -1.139 208 2HG2 VAL 24 2HG2 VAL 24 6.878 -3.597 -0.421 209 3HG2 VAL 24 3HG2 VAL 24 5.945 -4.300 -1.742 210 H ILE 25 H ILE 25 6.947 -0.645 0.427 211 HA ILE 25 HA ILE 25 4.566 0.535 -0.595 212 HB ILE 25 HB ILE 25 5.875 0.746 2.117 213 1HG1 ILE 25 2HG1 ILE 25 3.405 -0.722 1.163 214 2HG1 ILE 25 1HG1 ILE 25 4.963 -1.458 1.510 215 1HG2 ILE 25 1HG2 ILE 25 4.610 2.773 1.773 216 2HG2 ILE 25 2HG2 ILE 25 3.755 1.731 2.910 217 3HG2 ILE 25 3HG2 ILE 25 3.207 1.847 1.237 218 1HD1 ILE 25 1HD1 ILE 25 3.396 -1.813 3.326 219 2HD1 ILE 25 2HD1 ILE 25 3.194 -0.071 3.504 220 3HD1 ILE 25 3HD1 ILE 25 4.753 -0.817 3.854 221 H MET 26 H MET 26 7.711 1.829 0.335 222 HA MET 26 HA MET 26 7.055 4.510 0.571 223 1HB MET 26 2HB MET 26 9.636 3.203 -0.256 224 2HB MET 26 1HB MET 26 9.486 4.936 -0.012 225 1HG MET 26 2HG MET 26 8.862 2.879 2.091 226 2HG MET 26 1HG MET 26 10.422 3.676 1.921 227 1HE MET 26 1HE MET 26 6.521 5.560 3.480 228 2HE MET 26 2HE MET 26 6.873 3.836 3.387 229 3HE MET 26 3HE MET 26 6.578 4.757 1.911 230 HA PRO 27 HA PRO 27 8.216 5.263 -4.107 231 1HB PRO 27 2HB PRO 27 7.735 3.075 -5.736 232 2HB PRO 27 1HB PRO 27 9.330 3.599 -5.191 233 1HG PRO 27 2HG PRO 27 7.571 1.441 -4.119 234 2HG PRO 27 1HG PRO 27 9.335 1.464 -4.311 235 1HD PRO 27 2HD PRO 27 8.175 1.829 -1.915 236 2HD PRO 27 1HD PRO 27 9.655 2.694 -2.373 237 H PHE 28 H PHE 28 5.762 2.735 -3.547 238 HA PHE 28 HA PHE 28 3.892 3.791 -5.389 239 1HB PHE 28 2HB PHE 28 3.636 1.879 -3.080 240 2HB PHE 28 1HB PHE 28 2.238 2.378 -4.026 241 HD1 PHE 28 2HD PHE 28 5.529 0.696 -4.239 242 HD2 PHE 28 1HD PHE 28 1.774 1.403 -6.108 243 HE1 PHE 28 2HE PHE 28 6.037 -1.045 -5.906 244 HE2 PHE 28 1HE PHE 28 2.271 -0.336 -7.771 245 HZ PHE 28 HZ PHE 28 4.404 -1.563 -7.674 246 H PHE 29 H PHE 29 4.360 4.229 -1.914 247 HA PHE 29 HA PHE 29 2.098 5.767 -1.377 248 1HB PHE 29 2HB PHE 29 3.521 4.916 0.404 249 2HB PHE 29 1HB PHE 29 4.858 5.918 -0.149 250 HD1 PHE 29 1HD PHE 29 1.402 6.109 1.198 251 HD2 PHE 29 2HD PHE 29 5.152 8.055 0.702 252 HE1 PHE 29 1HE PHE 29 0.658 7.919 2.692 253 HE2 PHE 29 2HE PHE 29 4.418 9.868 2.191 254 HZ PHE 29 HZ PHE 29 2.167 9.799 3.190 255 H GLU 30 H GLU 30 5.325 6.779 -2.443 256 HA GLU 30 HA GLU 30 4.893 9.542 -2.341 257 1HB GLU 30 2HB GLU 30 6.727 7.919 -4.106 258 2HB GLU 30 1HB GLU 30 6.810 9.655 -3.914 259 1HG GLU 30 2HG GLU 30 6.946 7.887 -1.566 260 2HG GLU 30 1HG GLU 30 8.369 8.181 -2.543 261 H GLU 31 H GLU 31 4.479 7.271 -5.057 262 HA GLU 31 HA GLU 31 3.668 9.341 -6.846 263 1HB GLU 31 2HB GLU 31 3.010 7.534 -8.387 264 2HB GLU 31 1HB GLU 31 4.649 7.356 -7.777 265 1HG GLU 31 2HG GLU 31 4.164 5.480 -6.614 266 2HG GLU 31 1HG GLU 31 2.493 5.951 -6.317 267 H CYS 32 H CYS 32 1.856 6.921 -4.960 268 HA CYS 32 HA CYS 32 -0.641 7.625 -6.147 269 1HB CYS 32 2HB CYS 32 -0.002 6.038 -3.653 270 2HB CYS 32 1HB CYS 32 -1.618 6.212 -4.326 271 HG CYS 32 HG CYS 32 0.678 5.092 -6.510 272 H PHE 33 H PHE 33 1.101 8.670 -3.286 273 HA PHE 33 HA PHE 33 -0.927 9.992 -1.914 274 1HB PHE 33 2HB PHE 33 1.315 9.665 -0.984 275 2HB PHE 33 1HB PHE 33 1.982 10.797 -2.152 276 HD1 PHE 33 2HD PHE 33 -0.635 10.627 0.501 277 HD2 PHE 33 1HD PHE 33 2.291 12.982 -1.498 278 HE1 PHE 33 2HE PHE 33 -1.054 12.474 2.073 279 HE2 PHE 33 1HE PHE 33 1.879 14.832 0.069 280 HZ PHE 33 HZ PHE 33 0.204 14.582 1.858 281 H ASP 34 H ASP 34 0.878 10.961 -4.744 282 HA ASP 34 HA ASP 34 0.246 13.678 -4.839 283 1HB ASP 34 2HB ASP 34 1.872 12.467 -6.317 284 2HB ASP 34 1HB ASP 34 0.501 11.824 -7.215 285 H SER 35 H SER 35 -1.707 10.881 -5.504 286 HA SER 35 HA SER 35 -3.892 12.623 -6.414 287 1HB SER 35 2HB SER 35 -4.923 10.380 -7.143 288 2HB SER 35 1HB SER 35 -3.554 10.990 -8.071 289 HG SER 35 HG SER 35 -2.907 9.372 -5.919 290 H LEU 36 H LEU 36 -2.837 10.614 -3.842 291 HA LEU 36 HA LEU 36 -5.528 10.387 -2.706 292 1HB LEU 36 2HB LEU 36 -2.888 9.258 -1.761 293 2HB LEU 36 1HB LEU 36 -4.436 8.981 -0.987 294 HG LEU 36 HG LEU 36 -3.707 8.093 -3.782 295 1HD1 LEU 36 1HD1 LEU 36 -2.473 6.857 -2.090 296 2HD1 LEU 36 2HD1 LEU 36 -3.714 5.839 -2.820 297 3HD1 LEU 36 3HD1 LEU 36 -3.970 6.528 -1.217 298 1HD2 LEU 36 1HD2 LEU 36 -6.147 7.512 -2.101 299 2HD2 LEU 36 2HD2 LEU 36 -5.799 6.845 -3.696 300 3HD2 LEU 36 3HD2 LEU 36 -6.096 8.573 -3.509 301 H THR 37 H THR 37 -6.226 11.878 -1.331 302 HA THR 37 HA THR 37 -4.410 13.958 -0.509 303 HB THR 37 HB THR 37 -7.112 14.063 0.622 304 HG1 THR 37 1HG THR 37 -7.265 14.561 -2.080 305 1HG2 THR 37 1HG2 THR 37 -5.564 15.873 -1.245 306 2HG2 THR 37 2HG2 THR 37 -5.601 15.991 0.515 307 3HG2 THR 37 3HG2 THR 37 -7.067 16.285 -0.419 308 H GLU 38 H GLU 38 -4.886 14.822 1.870 309 HA GLU 38 HA GLU 38 -3.538 12.991 3.517 310 1HB GLU 38 2HB GLU 38 -4.950 15.561 4.206 311 2HB GLU 38 1HB GLU 38 -3.870 14.693 5.284 312 1HG GLU 38 2HG GLU 38 -2.065 14.966 3.674 313 2HG GLU 38 1HG GLU 38 -3.143 15.863 2.615 314 H SER 39 H SER 39 -6.936 13.941 3.396 315 HA SER 39 HA SER 39 -7.891 12.538 5.597 316 1HB SER 39 2HB SER 39 -9.273 12.810 2.919 317 2HB SER 39 1HB SER 39 -10.034 12.605 4.494 318 HG SER 39 HG SER 39 -9.559 14.651 5.027 319 H GLU 40 H GLU 40 -7.144 11.434 2.338 320 HA GLU 40 HA GLU 40 -8.027 8.745 2.696 321 1HB GLU 40 2HB GLU 40 -6.019 9.881 0.737 322 2HB GLU 40 1HB GLU 40 -6.812 8.322 0.602 323 1HG GLU 40 2HG GLU 40 -8.236 10.966 0.577 324 2HG GLU 40 1HG GLU 40 -7.762 10.067 -0.862 325 H GLN 41 H GLN 41 -4.881 10.375 2.821 326 HA GLN 41 HA GLN 41 -3.222 8.258 3.327 327 1HB GLN 41 2HB GLN 41 -2.549 10.532 2.723 328 2HB GLN 41 1HB GLN 41 -3.124 11.124 4.276 329 1HG GLN 41 2HG GLN 41 -1.506 9.597 5.341 330 2HG GLN 41 1HG GLN 41 -0.850 9.288 3.741 331 1HE2 GLN 41 1HE2 GLN 41 1.162 10.174 4.272 332 2HE2 GLN 41 2HE2 GLN 41 1.394 11.874 4.467 333 H ASP 42 H ASP 42 -5.110 10.254 5.544 334 HA ASP 42 HA ASP 42 -4.019 9.437 7.981 335 1HB ASP 42 2HB ASP 42 -5.593 11.363 7.556 336 2HB ASP 42 1HB ASP 42 -6.905 10.196 7.479 337 H ASP 43 H ASP 43 -6.654 8.049 6.096 338 HA ASP 43 HA ASP 43 -7.368 6.068 8.009 339 1HB ASP 43 2HB ASP 43 -8.664 6.980 5.907 340 2HB ASP 43 1HB ASP 43 -7.806 5.695 5.064 341 H PHE 44 H PHE 44 -5.241 6.152 5.210 342 HA PHE 44 HA PHE 44 -4.520 3.432 5.156 343 1HB PHE 44 2HB PHE 44 -4.128 4.853 3.244 344 2HB PHE 44 1HB PHE 44 -3.077 5.904 4.182 345 HD1 PHE 44 1HD PHE 44 -3.294 2.241 3.430 346 HD2 PHE 44 2HD PHE 44 -0.862 5.728 3.677 347 HE1 PHE 44 1HE PHE 44 -1.344 0.931 2.692 348 HE2 PHE 44 2HE PHE 44 1.093 4.424 2.950 349 HZ PHE 44 HZ PHE 44 0.855 2.023 2.454 350 H VAL 45 H VAL 45 -2.959 6.237 6.698 351 HA VAL 45 HA VAL 45 -0.748 4.846 7.751 352 HB VAL 45 HB VAL 45 -2.106 7.321 8.839 353 1HG1 VAL 45 1HG1 VAL 45 0.639 6.209 9.415 354 2HG1 VAL 45 2HG1 VAL 45 -0.716 6.278 10.541 355 3HG1 VAL 45 3HG1 VAL 45 0.027 7.770 9.965 356 1HG2 VAL 45 1HG2 VAL 45 -0.327 8.536 7.674 357 2HG2 VAL 45 2HG2 VAL 45 -1.325 7.608 6.555 358 3HG2 VAL 45 3HG2 VAL 45 0.272 7.015 7.011 359 H ALA 46 H ALA 46 -3.954 5.530 9.093 360 HA ALA 46 HA ALA 46 -3.619 4.437 11.631 361 1HB ALA 46 1HB ALA 46 -6.109 4.349 9.930 362 2HB ALA 46 2HB ALA 46 -5.597 5.708 10.929 363 3HB ALA 46 3HB ALA 46 -6.037 4.177 11.685 364 H LEU 47 H LEU 47 -4.246 2.828 8.551 365 HA LEU 47 HA LEU 47 -4.727 0.242 9.623 366 1HB LEU 47 2HB LEU 47 -5.371 0.842 7.346 367 2HB LEU 47 1HB LEU 47 -3.687 1.062 6.916 368 HG LEU 47 HG LEU 47 -3.309 -1.362 7.385 369 1HD1 LEU 47 1HD1 LEU 47 -6.316 -1.406 7.600 370 2HD1 LEU 47 2HD1 LEU 47 -5.162 -1.780 8.882 371 3HD1 LEU 47 3HD1 LEU 47 -5.282 -2.827 7.468 372 1HD2 LEU 47 1HD2 LEU 47 -5.365 -0.687 5.285 373 2HD2 LEU 47 2HD2 LEU 47 -4.377 -2.147 5.320 374 3HD2 LEU 47 3HD2 LEU 47 -3.612 -0.571 5.112 375 H LEU 48 H LEU 48 -1.806 1.875 8.479 376 HA LEU 48 HA LEU 48 -0.107 -0.373 8.526 377 1HB LEU 48 2HB LEU 48 0.562 2.558 8.759 378 2HB LEU 48 1HB LEU 48 1.729 1.285 8.463 379 HG LEU 48 HG LEU 48 -0.534 2.057 6.616 380 1HD1 LEU 48 1HD1 LEU 48 1.227 3.734 6.691 381 2HD1 LEU 48 2HD1 LEU 48 1.264 2.863 5.157 382 3HD1 LEU 48 3HD1 LEU 48 2.445 2.488 6.412 383 1HD2 LEU 48 1HD2 LEU 48 1.684 0.037 6.287 384 2HD2 LEU 48 2HD2 LEU 48 0.538 0.519 5.036 385 3HD2 LEU 48 3HD2 LEU 48 -0.033 -0.321 6.478 386 H GLU 49 H GLU 49 -1.221 1.694 11.059 387 HA GLU 49 HA GLU 49 0.871 1.135 12.909 388 1HB GLU 49 2HB GLU 49 -1.968 2.062 13.357 389 2HB GLU 49 1HB GLU 49 -0.734 1.998 14.607 390 1HG GLU 49 2HG GLU 49 0.611 3.611 13.374 391 2HG GLU 49 1HG GLU 49 -0.610 3.666 12.105 392 H SER 50 H SER 50 -1.792 -0.646 11.760 393 HA SER 50 HA SER 50 -1.562 -2.566 13.979 394 1HB SER 50 2HB SER 50 -3.787 -2.103 11.978 395 2HB SER 50 1HB SER 50 -3.746 -3.463 13.101 396 HG SER 50 HG SER 50 -3.656 -0.721 13.862 397 H ASP 51 H ASP 51 -2.604 -4.793 12.680 398 HA ASP 51 HA ASP 51 -0.426 -5.719 11.104 399 1HB ASP 51 2HB ASP 51 -3.053 -6.858 11.962 400 2HB ASP 51 1HB ASP 51 -2.201 -7.625 10.626 401 H ASP 52 H ASP 52 -0.779 -6.727 8.941 402 HA ASP 52 HA ASP 52 -2.375 -4.900 7.270 403 1HB ASP 52 2HB ASP 52 -0.546 -5.130 5.593 404 2HB ASP 52 1HB ASP 52 -0.021 -4.376 7.094 405 HA PRO 53 HA PRO 53 -3.255 -9.372 6.035 406 1HB PRO 53 2HB PRO 53 -5.728 -9.756 7.030 407 2HB PRO 53 1HB PRO 53 -4.274 -10.076 7.982 408 1HG PRO 53 2HG PRO 53 -6.135 -7.750 8.088 409 2HG PRO 53 1HG PRO 53 -5.292 -8.578 9.409 410 1HD PRO 53 2HD PRO 53 -4.487 -6.193 8.265 411 2HD PRO 53 1HD PRO 53 -3.434 -7.290 9.174 412 H ASP 54 H ASP 54 -5.403 -6.602 6.271 413 HA ASP 54 HA ASP 54 -7.070 -7.121 4.077 414 1HB ASP 54 2HB ASP 54 -6.155 -4.394 5.022 415 2HB ASP 54 1HB ASP 54 -7.659 -4.787 4.196 416 H LEU 55 H LEU 55 -4.048 -5.339 4.380 417 HA LEU 55 HA LEU 55 -3.870 -4.509 1.686 418 1HB LEU 55 2HB LEU 55 -2.616 -3.775 3.901 419 2HB LEU 55 1HB LEU 55 -1.454 -4.980 3.389 420 HG LEU 55 HG LEU 55 -2.290 -2.654 1.662 421 1HD1 LEU 55 1HD1 LEU 55 -1.268 -1.827 3.711 422 2HD1 LEU 55 2HD1 LEU 55 -0.199 -1.594 2.328 423 3HD1 LEU 55 3HD1 LEU 55 0.108 -2.904 3.468 424 1HD2 LEU 55 1HD2 LEU 55 -1.331 -4.560 0.461 425 2HD2 LEU 55 2HD2 LEU 55 0.080 -4.515 1.518 426 3HD2 LEU 55 3HD2 LEU 55 -0.251 -3.166 0.431 427 H PHE 56 H PHE 56 -2.376 -7.164 3.494 428 HA PHE 56 HA PHE 56 -0.851 -8.273 1.447 429 1HB PHE 56 2HB PHE 56 -0.617 -8.821 3.830 430 2HB PHE 56 1HB PHE 56 -2.169 -9.646 3.797 431 HD1 PHE 56 1HD PHE 56 1.200 -9.717 2.224 432 HD2 PHE 56 2HD PHE 56 -2.246 -11.920 3.405 433 HE1 PHE 56 1HE PHE 56 2.352 -11.815 1.660 434 HE2 PHE 56 2HE PHE 56 -1.101 -14.021 2.835 435 HZ PHE 56 HZ PHE 56 1.202 -13.969 1.963 436 H ALA 57 H ALA 57 -4.174 -9.060 2.445 437 HA ALA 57 HA ALA 57 -4.429 -11.249 0.633 438 1HB ALA 57 1HB ALA 57 -6.764 -11.283 1.301 439 2HB ALA 57 2HB ALA 57 -6.581 -9.711 2.077 440 3HB ALA 57 3HB ALA 57 -5.713 -11.110 2.708 441 H TRP 58 H TRP 58 -5.214 -7.814 0.384 442 HA TRP 58 HA TRP 58 -6.838 -8.315 -1.949 443 1HB TRP 58 2HB TRP 58 -6.158 -5.818 -0.433 444 2HB TRP 58 1HB TRP 58 -6.940 -5.739 -2.014 445 HD1 TRP 58 HD TRP 58 -7.537 -7.651 1.304 446 HE1 TRP 58 1HE TRP 58 -10.062 -7.699 1.757 447 HE3 TRP 58 3HE TRP 58 -9.154 -5.222 -2.892 448 HZ2 TRP 58 2HZ TRP 58 -12.432 -6.841 0.495 449 HZ3 TRP 58 3HZ TRP 58 -11.573 -4.887 -3.197 450 HH2 TRP 58 HH TRP 58 -13.176 -5.683 -1.536 451 H VAL 59 H VAL 59 -3.557 -7.264 -1.316 452 HA VAL 59 HA VAL 59 -2.925 -6.365 -3.903 453 HB VAL 59 HB VAL 59 -1.163 -7.676 -1.820 454 1HG1 VAL 59 1HG1 VAL 59 -0.364 -6.376 -4.428 455 2HG1 VAL 59 2HG1 VAL 59 -0.198 -8.085 -4.030 456 3HG1 VAL 59 3HG1 VAL 59 0.752 -6.879 -3.161 457 1HG2 VAL 59 1HG2 VAL 59 -1.428 -4.816 -2.754 458 2HG2 VAL 59 2HG2 VAL 59 -0.318 -5.400 -1.514 459 3HG2 VAL 59 3HG2 VAL 59 -2.060 -5.466 -1.241 460 H MET 60 H MET 60 -2.895 -9.620 -2.513 461 HA MET 60 HA MET 60 -2.159 -10.788 -5.056 462 1HB MET 60 2HB MET 60 -3.013 -12.065 -2.451 463 2HB MET 60 1HB MET 60 -2.508 -12.957 -3.878 464 1HG MET 60 2HG MET 60 -0.324 -11.737 -3.752 465 2HG MET 60 1HG MET 60 -0.850 -11.110 -2.192 466 1HE MET 60 1HE MET 60 -2.512 -13.601 -1.088 467 2HE MET 60 2HE MET 60 -1.385 -12.707 -0.067 468 3HE MET 60 3HE MET 60 -1.293 -14.465 -0.150 469 H GLY 61 H GLY 61 -5.036 -9.924 -3.366 470 1HA GLY 61 2HA GLY 61 -7.117 -9.633 -4.372 471 2HA GLY 61 1HA GLY 61 -6.555 -10.561 -5.753 472 H HIS 62 H HIS 62 -6.863 -11.319 -2.275 473 HA HIS 62 HA HIS 62 -9.025 -13.150 -2.751 474 1HB HIS 62 2HB HIS 62 -6.649 -14.238 -3.373 475 2HB HIS 62 1HB HIS 62 -6.642 -14.541 -1.642 476 HD1 HIS 62 1HD HIS 62 -7.505 -16.163 -4.638 477 HD2 HIS 62 2HD HIS 62 -9.344 -15.817 -0.917 478 HE1 HIS 62 1HE HIS 62 -9.115 -18.093 -4.490 479 HE2 HIS 62 2HE HIS 62 -10.361 -17.735 -2.324 480 H GLY 63 H GLY 63 -10.024 -11.962 -1.087 481 1HA GLY 63 2HA GLY 63 -10.036 -12.951 1.439 482 2HA GLY 63 1HA GLY 63 -8.772 -11.730 1.505 483 H ARG 64 H ARG 64 -10.712 -11.238 3.179 484 HA ARG 64 HA ARG 64 -12.572 -9.400 1.828 485 1HB ARG 64 2HB ARG 64 -13.950 -9.519 3.852 486 2HB ARG 64 1HB ARG 64 -13.684 -11.116 3.169 487 1HG ARG 64 2HG ARG 64 -12.030 -11.612 4.848 488 2HG ARG 64 1HG ARG 64 -12.147 -9.974 5.492 489 1HD ARG 64 2HD ARG 64 -14.494 -11.849 5.372 490 2HD ARG 64 1HD ARG 64 -13.399 -11.785 6.750 491 HE ARG 64 HE ARG 64 -14.242 -9.181 6.298 492 1HH1 ARG 64 1HH1 ARG 64 -15.686 -12.249 7.165 493 2HH1 ARG 64 2HH1 ARG 64 -16.988 -11.531 8.069 494 1HH2 ARG 64 1HH2 ARG 64 -15.904 -8.224 7.511 495 2HH2 ARG 64 2HH2 ARG 64 -17.124 -9.231 8.255 496 H CYS 65 H CYS 65 -13.142 -7.448 3.124 497 HA CYS 65 HA CYS 65 -11.212 -6.520 5.053 498 1HB CYS 65 2HB CYS 65 -10.151 -5.959 2.852 499 2HB CYS 65 1HB CYS 65 -11.563 -4.982 2.467 500 HG CYS 65 HG CYS 65 -9.476 -4.398 5.120 501 H GLU 66 H GLU 66 -12.036 -4.853 6.303 502 HA GLU 66 HA GLU 66 -14.907 -4.592 6.163 503 1HB GLU 66 2HB GLU 66 -12.976 -3.404 8.158 504 2HB GLU 66 1HB GLU 66 -14.717 -3.551 8.345 505 1HG GLU 66 2HG GLU 66 -12.711 -5.789 8.235 506 2HG GLU 66 1HG GLU 66 -13.651 -5.264 9.632 507 H ASN 67 H ASN 67 -12.073 -2.580 5.774 508 HA ASN 67 HA ASN 67 -13.760 -0.259 5.183 509 1HB ASN 67 2HB ASN 67 -10.825 -0.501 5.849 510 2HB ASN 67 1HB ASN 67 -11.560 0.998 5.291 511 1HD2 ASN 67 1HD2 ASN 67 -10.267 0.315 7.843 512 2HD2 ASN 67 2HD2 ASN 67 -11.436 0.666 9.066 513 H LEU 68 H LEU 68 -14.334 -0.239 3.116 514 HA LEU 68 HA LEU 68 -12.709 -1.396 1.064 515 1HB LEU 68 2HB LEU 68 -15.243 0.223 0.943 516 2HB LEU 68 1HB LEU 68 -14.452 -0.453 -0.468 517 HG LEU 68 HG LEU 68 -15.683 -1.985 1.822 518 1HD1 LEU 68 1HD1 LEU 68 -16.400 -1.810 -1.101 519 2HD1 LEU 68 2HD1 LEU 68 -17.291 -1.080 0.235 520 3HD1 LEU 68 3HD1 LEU 68 -17.190 -2.836 0.098 521 1HD2 LEU 68 1HD2 LEU 68 -13.640 -3.091 1.071 522 2HD2 LEU 68 2HD2 LEU 68 -14.215 -3.035 -0.596 523 3HD2 LEU 68 3HD2 LEU 68 -15.073 -4.007 0.600 524 H GLY 69 H GLY 69 -13.017 1.727 2.479 525 1HA GLY 69 2HA GLY 69 -11.958 3.325 0.415 526 2HA GLY 69 1HA GLY 69 -11.795 3.648 2.137 527 H LEU 70 H LEU 70 -10.343 1.492 2.982 528 HA LEU 70 HA LEU 70 -7.693 2.006 2.217 529 1HB LEU 70 2HB LEU 70 -8.957 -0.353 3.609 530 2HB LEU 70 1HB LEU 70 -7.228 -0.201 3.375 531 HG LEU 70 HG LEU 70 -8.901 1.793 4.898 532 1HD1 LEU 70 1HD1 LEU 70 -8.907 -0.371 6.021 533 2HD1 LEU 70 2HD1 LEU 70 -7.914 0.792 6.901 534 3HD1 LEU 70 3HD1 LEU 70 -7.150 -0.445 5.903 535 1HD2 LEU 70 1HD2 LEU 70 -6.748 2.613 5.668 536 2HD2 LEU 70 2HD2 LEU 70 -6.837 2.677 3.907 537 3HD2 LEU 70 3HD2 LEU 70 -5.920 1.395 4.700 538 H ALA 71 H ALA 71 -9.897 -0.630 1.359 539 HA ALA 71 HA ALA 71 -8.173 -2.072 -0.295 540 1HB ALA 71 1HB ALA 71 -10.166 -3.108 -1.214 541 2HB ALA 71 2HB ALA 71 -11.166 -1.815 -0.554 542 3HB ALA 71 3HB ALA 71 -10.324 -2.920 0.532 543 H ALA 72 H ALA 72 -10.072 0.796 -0.916 544 HA ALA 72 HA ALA 72 -9.987 0.798 -3.720 545 1HB ALA 72 1HB ALA 72 -10.479 3.177 -3.560 546 2HB ALA 72 2HB ALA 72 -10.063 3.156 -1.848 547 3HB ALA 72 3HB ALA 72 -11.465 2.254 -2.423 548 H MET 73 H MET 73 -7.741 2.205 -1.329 549 HA MET 73 HA MET 73 -6.037 3.244 -3.379 550 1HB MET 73 2HB MET 73 -4.526 3.907 -1.627 551 2HB MET 73 1HB MET 73 -6.166 4.293 -1.145 552 1HG MET 73 2HG MET 73 -5.221 3.478 0.791 553 2HG MET 73 1HG MET 73 -6.077 2.077 0.154 554 1HE MET 73 1HE MET 73 -1.523 2.636 -0.341 555 2HE MET 73 2HE MET 73 -2.555 3.835 0.440 556 3HE MET 73 3HE MET 73 -2.723 3.516 -1.286 557 H VAL 74 H VAL 74 -6.237 0.255 -1.597 558 HA VAL 74 HA VAL 74 -3.685 -0.766 -2.289 559 HB VAL 74 HB VAL 74 -6.240 -2.276 -1.680 560 1HG1 VAL 74 1HG1 VAL 74 -4.691 -3.704 -2.874 561 2HG1 VAL 74 2HG1 VAL 74 -4.742 -4.176 -1.176 562 3HG1 VAL 74 3HG1 VAL 74 -3.381 -3.237 -1.790 563 1HG2 VAL 74 1HG2 VAL 74 -3.905 -1.568 0.095 564 2HG2 VAL 74 2HG2 VAL 74 -5.302 -2.539 0.561 565 3HG2 VAL 74 3HG2 VAL 74 -5.507 -0.835 0.155 566 H ASP 75 H ASP 75 -6.862 -0.919 -3.810 567 HA ASP 75 HA ASP 75 -6.339 -2.595 -5.961 568 1HB ASP 75 2HB ASP 75 -8.579 -1.839 -5.492 569 2HB ASP 75 1HB ASP 75 -8.124 -0.164 -5.770 570 H LYS 76 H LYS 76 -5.660 0.820 -5.560 571 HA LYS 76 HA LYS 76 -4.820 1.337 -8.211 572 1HB LYS 76 2HB LYS 76 -3.948 2.779 -5.701 573 2HB LYS 76 1HB LYS 76 -3.965 3.418 -7.343 574 1HG LYS 76 2HG LYS 76 -6.413 3.192 -7.382 575 2HG LYS 76 1HG LYS 76 -6.370 2.625 -5.714 576 1HD LYS 76 2HD LYS 76 -5.294 4.790 -5.091 577 2HD LYS 76 1HD LYS 76 -5.568 5.340 -6.746 578 1HE LYS 76 2HE LYS 76 -7.656 4.539 -4.722 579 2HE LYS 76 1HE LYS 76 -7.352 6.157 -5.352 580 1HZ LYS 76 1HZ LYS 76 -8.325 3.837 -6.940 581 2HZ LYS 76 2HZ LYS 76 -8.041 5.399 -7.541 582 3HZ LYS 76 3HZ LYS 76 -9.272 5.138 -6.405 583 H ILE 77 H ILE 77 -3.154 0.194 -5.339 584 HA ILE 77 HA ILE 77 -0.544 0.169 -6.484 585 HB ILE 77 HB ILE 77 -1.662 -1.477 -4.205 586 1HG1 ILE 77 2HG1 ILE 77 -0.071 1.097 -4.163 587 2HG1 ILE 77 1HG1 ILE 77 -1.795 0.969 -3.847 588 1HG2 ILE 77 1HG2 ILE 77 0.351 -2.488 -5.098 589 2HG2 ILE 77 2HG2 ILE 77 0.692 -1.752 -3.531 590 3HG2 ILE 77 3HG2 ILE 77 1.194 -0.941 -5.015 591 1HD1 ILE 77 1HD1 ILE 77 0.403 -0.259 -2.202 592 2HD1 ILE 77 2HD1 ILE 77 -1.325 -0.419 -1.884 593 3HD1 ILE 77 3HD1 ILE 77 -0.550 1.163 -1.784 594 H VAL 78 H VAL 78 -3.145 -2.189 -6.141 595 HA VAL 78 HA VAL 78 -1.878 -4.435 -7.210 596 HB VAL 78 HB VAL 78 -4.805 -3.682 -7.341 597 1HG1 VAL 78 1HG1 VAL 78 -3.492 -6.366 -7.756 598 2HG1 VAL 78 2HG1 VAL 78 -4.298 -5.399 -8.992 599 3HG1 VAL 78 3HG1 VAL 78 -5.229 -6.079 -7.657 600 1HG2 VAL 78 1HG2 VAL 78 -5.012 -5.211 -5.412 601 2HG2 VAL 78 2HG2 VAL 78 -4.013 -3.798 -5.068 602 3HG2 VAL 78 3HG2 VAL 78 -3.255 -5.360 -5.380 603 H ALA 79 H ALA 79 -3.465 -1.725 -8.795 604 HA ALA 79 HA ALA 79 -3.643 -2.693 -11.391 605 1HB ALA 79 1HB ALA 79 -2.987 0.120 -10.516 606 2HB ALA 79 2HB ALA 79 -4.606 -0.560 -10.691 607 3HB ALA 79 3HB ALA 79 -3.575 -0.357 -12.108 608 H HIS 80 H HIS 80 -0.875 -1.169 -9.761 609 HA HIS 80 HA HIS 80 0.861 -1.231 -11.992 610 1HB HIS 80 2HB HIS 80 1.284 -1.036 -9.023 611 2HB HIS 80 1HB HIS 80 2.646 -1.184 -10.116 612 HD1 HIS 80 1HD HIS 80 2.870 0.801 -11.930 613 HD2 HIS 80 2HD HIS 80 0.346 1.483 -8.698 614 HE1 HIS 80 1HE HIS 80 2.607 3.298 -11.787 615 HE2 HIS 80 2HE HIS 80 1.344 3.673 -9.637 616 H ASN 81 H ASN 81 0.255 -3.469 -9.331 617 HA ASN 81 HA ASN 81 2.307 -5.308 -9.935 618 1HB ASN 81 2HB ASN 81 1.152 -5.254 -7.765 619 2HB ASN 81 1HB ASN 81 -0.339 -5.772 -8.541 620 1HD2 ASN 81 1HD2 ASN 81 2.816 -6.722 -7.452 621 2HD2 ASN 81 2HD2 ASN 81 2.563 -8.432 -7.598 622 H LEU 82 H LEU 82 -1.104 -5.157 -10.866 623 HA LEU 82 HA LEU 82 -1.175 -7.538 -12.362 624 1HB LEU 82 2HB LEU 82 -3.105 -6.062 -11.540 625 2HB LEU 82 1HB LEU 82 -2.803 -5.073 -12.952 626 HG LEU 82 HG LEU 82 -3.411 -8.012 -13.203 627 1HD1 LEU 82 1HD1 LEU 82 -5.754 -7.395 -13.562 628 2HD1 LEU 82 2HD1 LEU 82 -5.379 -5.728 -13.128 629 3HD1 LEU 82 3HD1 LEU 82 -5.225 -7.007 -11.925 630 1HD2 LEU 82 1HD2 LEU 82 -2.495 -6.902 -15.175 631 2HD2 LEU 82 2HD2 LEU 82 -3.753 -5.670 -15.074 632 3HD2 LEU 82 3HD2 LEU 82 -4.185 -7.343 -15.427 633 H SER 83 H SER 83 -0.365 -4.202 -13.229 634 HA SER 83 HA SER 83 -0.017 -4.657 -15.983 635 1HB SER 83 2HB SER 83 -0.198 -2.395 -14.949 636 2HB SER 83 1HB SER 83 1.412 -2.610 -14.263 637 HG SER 83 HG SER 83 2.081 -1.810 -16.086 638 H LYS 84 H LYS 84 2.209 -4.947 -13.237 639 HA LYS 84 HA LYS 84 4.526 -5.619 -14.656 640 1HB LYS 84 2HB LYS 84 3.528 -6.465 -11.940 641 2HB LYS 84 1HB LYS 84 5.078 -7.003 -12.571 642 1HG LYS 84 2HG LYS 84 5.774 -4.645 -12.779 643 2HG LYS 84 1HG LYS 84 4.243 -4.159 -12.047 644 1HD LYS 84 2HD LYS 84 6.074 -4.218 -10.407 645 2HD LYS 84 1HD LYS 84 4.798 -5.373 -10.019 646 1HE LYS 84 2HE LYS 84 6.910 -6.448 -9.676 647 2HE LYS 84 1HE LYS 84 6.156 -7.155 -11.103 648 1HZ LYS 84 1HZ LYS 84 7.572 -5.683 -12.477 649 2HZ LYS 84 2HZ LYS 84 8.469 -6.770 -11.531 650 3HZ LYS 84 3HZ LYS 84 8.348 -5.148 -11.064 651 H VAL 85 H VAL 85 1.782 -7.587 -13.642 652 HA VAL 85 HA VAL 85 2.891 -10.083 -14.395 653 HB VAL 85 HB VAL 85 -0.029 -9.317 -14.193 654 1HG1 VAL 85 1HG1 VAL 85 0.313 -11.379 -15.451 655 2HG1 VAL 85 2HG1 VAL 85 -0.429 -11.706 -13.885 656 3HG1 VAL 85 3HG1 VAL 85 1.287 -12.029 -14.133 657 1HG2 VAL 85 1HG2 VAL 85 1.791 -10.564 -12.135 658 2HG2 VAL 85 2HG2 VAL 85 0.066 -10.246 -11.943 659 3HG2 VAL 85 3HG2 VAL 85 1.199 -8.904 -12.112 660 H ARG 86 H ARG 86 0.833 -7.756 -16.111 661 HA ARG 86 HA ARG 86 0.600 -9.422 -18.437 662 1HB ARG 86 2HB ARG 86 -0.734 -7.743 -19.360 663 2HB ARG 86 1HB ARG 86 -1.020 -7.570 -17.638 664 1HG ARG 86 2HG ARG 86 0.534 -5.695 -17.557 665 2HG ARG 86 1HG ARG 86 0.851 -5.880 -19.283 666 1HD ARG 86 2HD ARG 86 -1.684 -5.585 -19.577 667 2HD ARG 86 1HD ARG 86 -1.667 -4.976 -17.920 668 HE ARG 86 HE ARG 86 0.179 -3.775 -19.840 669 1HH1 ARG 86 1HH1 ARG 86 -2.794 -3.460 -17.973 670 2HH1 ARG 86 2HH1 ARG 86 -2.841 -1.730 -18.158 671 1HH2 ARG 86 1HH2 ARG 86 0.039 -1.545 -20.121 672 2HH2 ARG 86 2HH2 ARG 86 -1.265 -0.656 -19.396 673 H LEU 87 H LEU 87 2.849 -7.051 -17.304 674 HA LEU 87 HA LEU 87 4.065 -6.508 -19.832 675 1HB LEU 87 2HB LEU 87 4.183 -4.900 -18.022 676 2HB LEU 87 1HB LEU 87 4.990 -6.068 -16.993 677 HG LEU 87 HG LEU 87 6.903 -6.059 -18.569 678 1HD1 LEU 87 1HD1 LEU 87 5.719 -5.329 -20.570 679 2HD1 LEU 87 2HD1 LEU 87 7.075 -4.261 -20.211 680 3HD1 LEU 87 3HD1 LEU 87 5.429 -3.752 -19.833 681 1HD2 LEU 87 1HD2 LEU 87 6.946 -4.706 -16.548 682 2HD2 LEU 87 2HD2 LEU 87 6.141 -3.386 -17.397 683 3HD2 LEU 87 3HD2 LEU 87 7.769 -3.875 -17.867 684 H GLU 88 H GLU 88 4.890 -8.530 -17.021 685 HA GLU 88 HA GLU 88 7.169 -9.694 -18.264 686 1HB GLU 88 2HB GLU 88 5.502 -10.640 -15.925 687 2HB GLU 88 1HB GLU 88 7.018 -11.380 -16.429 688 1HG GLU 88 2HG GLU 88 8.142 -9.196 -16.063 689 2HG GLU 88 1HG GLU 88 6.625 -8.568 -15.425 690 H HIS 89 H HIS 89 3.756 -10.336 -18.326 691 HA HIS 89 HA HIS 89 2.548 -11.405 -19.940 692 1HB HIS 89 2HB HIS 89 4.515 -10.327 -21.280 693 2HB HIS 89 1HB HIS 89 5.097 -11.978 -21.426 694 HD1 HIS 89 1HD HIS 89 2.200 -9.786 -22.423 695 HD2 HIS 89 2HD HIS 89 3.864 -13.472 -23.383 696 HE1 HIS 89 1HE HIS 89 1.033 -10.528 -24.516 697 HE2 HIS 89 2HE HIS 89 2.264 -12.606 -25.225 698 H HIS 90 H HIS 90 3.247 -12.940 -17.733 699 HA HIS 90 HA HIS 90 4.297 -15.467 -18.761 700 1HB HIS 90 2HB HIS 90 5.199 -14.414 -16.648 701 2HB HIS 90 1HB HIS 90 3.657 -14.787 -15.887 702 HD1 HIS 90 1HD HIS 90 4.784 -16.394 -14.189 703 HD2 HIS 90 2HD HIS 90 5.335 -17.471 -18.176 704 HE1 HIS 90 1HE HIS 90 5.673 -18.745 -14.147 705 HE2 HIS 90 2HE HIS 90 5.977 -19.388 -16.563 706 H HIS 91 H HIS 91 1.943 -15.160 -19.877 707 HA HIS 91 HA HIS 91 0.196 -16.470 -20.436 708 1HB HIS 91 2HB HIS 91 1.498 -18.203 -18.385 709 2HB HIS 91 1HB HIS 91 -0.074 -18.661 -19.032 710 HD1 HIS 91 1HD HIS 91 -0.095 -19.811 -21.260 711 HD2 HIS 91 2HD HIS 91 3.564 -18.025 -20.414 712 HE1 HIS 91 1HE HIS 91 1.459 -20.540 -23.097 713 HE2 HIS 91 2HE HIS 91 3.598 -19.277 -22.678 714 H HIS 92 H HIS 92 0.087 -14.685 -17.716 715 HA HIS 92 HA HIS 92 -2.344 -15.844 -16.646 716 1HB HIS 92 2HB HIS 92 -0.684 -14.778 -15.130 717 2HB HIS 92 1HB HIS 92 -1.033 -13.225 -15.885 718 HD1 HIS 92 1HD HIS 92 -2.918 -11.910 -14.899 719 HD2 HIS 92 2HD HIS 92 -3.007 -15.910 -13.762 720 HE1 HIS 92 1HE HIS 92 -4.760 -12.097 -13.197 721 HE2 HIS 92 2HE HIS 92 -4.870 -14.541 -12.613 722 H HIS 93 H HIS 93 -3.910 -15.713 -18.149 723 HA HIS 93 HA HIS 93 -4.636 -13.050 -19.169 724 1HB HIS 93 2HB HIS 93 -5.629 -15.802 -19.959 725 2HB HIS 93 1HB HIS 93 -6.232 -14.296 -20.634 726 HD1 HIS 93 1HD HIS 93 -5.080 -13.465 -22.675 727 HD2 HIS 93 2HD HIS 93 -2.807 -16.256 -20.589 728 HE1 HIS 93 1HE HIS 93 -3.096 -13.954 -24.138 729 HE2 HIS 93 2HE HIS 93 -1.871 -15.815 -22.953 730 H HIS 94 H HIS 94 -5.939 -15.883 -17.504 731 HA HIS 94 HA HIS 94 -8.231 -14.258 -16.613 732 1HB HIS 94 2HB HIS 94 -8.593 -16.306 -18.157 733 2HB HIS 94 1HB HIS 94 -8.206 -17.268 -16.735 734 HD1 HIS 94 1HD HIS 94 -10.997 -16.027 -18.491 735 HD2 HIS 94 2HD HIS 94 -10.036 -16.358 -14.452 736 HE1 HIS 94 1HE HIS 94 -13.189 -15.916 -17.254 737 HE2 HIS 94 2HE HIS 94 -12.584 -16.058 -14.813 Start of MODEL 15 1 1H MET 1 1HT MET 1 -3.668 18.349 7.986 2 2H MET 1 2HT MET 1 -3.353 18.368 6.319 3 3H MET 1 3HT MET 1 -3.739 19.805 7.122 4 HA MET 1 HA MET 1 -1.359 19.570 6.593 5 1HB MET 1 2HB MET 1 -2.199 19.756 9.484 6 2HB MET 1 1HB MET 1 -0.571 20.108 8.931 7 1HG MET 1 2HG MET 1 -1.419 21.905 7.528 8 2HG MET 1 1HG MET 1 -3.064 21.543 8.050 9 1HE MET 1 1HE MET 1 0.499 22.776 9.218 10 2HE MET 1 2HE MET 1 0.166 21.418 10.292 11 3HE MET 1 3HE MET 1 0.213 23.059 10.936 12 H TYR 2 H TYR 2 -0.209 17.860 5.980 13 HA TYR 2 HA TYR 2 0.521 15.928 8.088 14 1HB TYR 2 2HB TYR 2 -0.650 15.362 5.586 15 2HB TYR 2 1HB TYR 2 1.033 14.877 5.457 16 HD1 TYR 2 2HD TYR 2 -1.534 14.706 8.164 17 HD2 TYR 2 1HD TYR 2 1.280 12.595 5.775 18 HE1 TYR 2 2HE TYR 2 -2.051 12.641 9.393 19 HE2 TYR 2 1HE TYR 2 0.773 10.521 6.999 20 HH TYR 2 HH TYR 2 -1.900 10.260 9.169 21 H THR 3 H THR 3 2.615 15.927 8.570 22 HA THR 3 HA THR 3 4.411 17.373 6.750 23 HB THR 3 HB THR 3 5.494 18.319 8.868 24 HG1 THR 3 1HG THR 3 3.817 16.801 10.098 25 1HG2 THR 3 1HG2 THR 3 2.698 19.206 8.153 26 2HG2 THR 3 2HG2 THR 3 4.170 19.655 7.290 27 3HG2 THR 3 3HG2 THR 3 3.926 20.183 8.956 28 H ALA 4 H ALA 4 6.742 17.257 8.194 29 HA ALA 4 HA ALA 4 7.761 14.823 7.320 30 1HB ALA 4 1HB ALA 4 9.829 15.460 8.393 31 2HB ALA 4 2HB ALA 4 8.984 16.662 9.368 32 3HB ALA 4 3HB ALA 4 9.092 16.862 7.619 33 H GLU 5 H GLU 5 6.684 15.743 10.569 34 HA GLU 5 HA GLU 5 7.744 13.554 11.954 35 1HB GLU 5 2HB GLU 5 6.789 15.562 13.028 36 2HB GLU 5 1HB GLU 5 5.184 15.053 12.530 37 1HG GLU 5 2HG GLU 5 5.318 13.100 13.897 38 2HG GLU 5 1HG GLU 5 6.990 13.456 14.317 39 H GLN 6 H GLN 6 4.619 13.991 10.359 40 HA GLN 6 HA GLN 6 3.621 11.419 10.968 41 1HB GLN 6 2HB GLN 6 2.904 13.331 8.742 42 2HB GLN 6 1HB GLN 6 2.031 11.843 9.066 43 1HG GLN 6 2HG GLN 6 0.719 13.293 10.206 44 2HG GLN 6 1HG GLN 6 1.859 12.888 11.487 45 1HE2 GLN 6 1HE2 GLN 6 0.227 15.255 11.140 46 2HE2 GLN 6 2HE2 GLN 6 1.328 16.599 11.105 47 H LYS 7 H LYS 7 5.633 12.644 8.359 48 HA LYS 7 HA LYS 7 5.502 10.355 6.709 49 1HB LYS 7 2HB LYS 7 7.641 12.461 7.010 50 2HB LYS 7 1HB LYS 7 7.709 11.182 5.808 51 1HG LYS 7 2HG LYS 7 5.516 12.023 4.924 52 2HG LYS 7 1HG LYS 7 5.688 13.401 6.015 53 1HD LYS 7 2HD LYS 7 7.764 14.036 4.939 54 2HD LYS 7 1HD LYS 7 7.700 12.608 3.907 55 1HE LYS 7 2HE LYS 7 5.565 13.465 2.963 56 2HE LYS 7 1HE LYS 7 5.786 14.935 3.908 57 1HZ LYS 7 1HZ LYS 7 6.557 15.225 1.645 58 2HZ LYS 7 2HZ LYS 7 7.631 13.924 1.811 59 3HZ LYS 7 3HZ LYS 7 7.862 15.333 2.728 60 H ALA 8 H ALA 8 7.492 11.177 9.485 61 HA ALA 8 HA ALA 8 9.349 9.071 9.290 62 1HB ALA 8 1HB ALA 8 9.796 9.470 11.643 63 2HB ALA 8 2HB ALA 8 8.308 10.405 11.787 64 3HB ALA 8 3HB ALA 8 9.630 11.002 10.783 65 H ARG 9 H ARG 9 6.144 9.263 10.722 66 HA ARG 9 HA ARG 9 6.088 6.743 11.972 67 1HB ARG 9 2HB ARG 9 3.791 8.275 10.724 68 2HB ARG 9 1HB ARG 9 3.647 6.979 11.903 69 1HG ARG 9 2HG ARG 9 4.503 8.294 13.632 70 2HG ARG 9 1HG ARG 9 5.183 9.476 12.513 71 1HD ARG 9 2HD ARG 9 3.218 10.392 13.576 72 2HD ARG 9 1HD ARG 9 2.902 10.135 11.862 73 HE ARG 9 HE ARG 9 1.977 8.253 13.939 74 1HH1 ARG 9 1HH1 ARG 9 1.424 10.113 11.025 75 2HH1 ARG 9 2HH1 ARG 9 -0.224 9.612 10.853 76 1HH2 ARG 9 1HH2 ARG 9 -0.200 7.595 13.737 77 2HH2 ARG 9 2HH2 ARG 9 -1.164 8.192 12.411 78 H ILE 10 H ILE 10 5.370 7.797 8.707 79 HA ILE 10 HA ILE 10 4.409 5.345 7.688 80 HB ILE 10 HB ILE 10 5.827 7.549 6.178 81 1HG1 ILE 10 2HG1 ILE 10 2.855 7.206 6.636 82 2HG1 ILE 10 1HG1 ILE 10 3.868 8.299 7.573 83 1HG2 ILE 10 1HG2 ILE 10 5.626 5.482 4.909 84 2HG2 ILE 10 2HG2 ILE 10 4.558 6.721 4.250 85 3HG2 ILE 10 3HG2 ILE 10 3.897 5.426 5.248 86 1HD1 ILE 10 1HD1 ILE 10 2.665 9.482 5.832 87 2HD1 ILE 10 2HD1 ILE 10 3.391 8.442 4.607 88 3HD1 ILE 10 3HD1 ILE 10 4.404 9.541 5.544 89 H LYS 11 H LYS 11 7.624 6.824 7.795 90 HA LYS 11 HA LYS 11 9.053 4.949 6.329 91 1HB LYS 11 2HB LYS 11 9.898 6.655 8.664 92 2HB LYS 11 1HB LYS 11 11.027 5.665 7.751 93 1HG LYS 11 2HG LYS 11 10.394 6.902 5.705 94 2HG LYS 11 1HG LYS 11 9.363 7.939 6.693 95 1HD LYS 11 2HD LYS 11 11.279 8.708 7.952 96 2HD LYS 11 1HD LYS 11 12.336 7.595 7.077 97 1HE LYS 11 2HE LYS 11 11.822 8.768 4.985 98 2HE LYS 11 1HE LYS 11 10.784 9.885 5.872 99 1HZ LYS 11 1HZ LYS 11 12.703 10.632 7.128 100 2HZ LYS 11 2HZ LYS 11 12.983 10.821 5.466 101 3HZ LYS 11 3HZ LYS 11 13.705 9.537 6.309 102 H TRP 12 H TRP 12 8.039 4.829 9.710 103 HA TRP 12 HA TRP 12 9.534 2.606 10.510 104 1HB TRP 12 2HB TRP 12 6.903 3.731 11.406 105 2HB TRP 12 1HB TRP 12 7.495 2.220 12.081 106 HD1 TRP 12 HD TRP 12 9.066 5.748 11.522 107 HE1 TRP 12 1HE TRP 12 10.372 6.368 13.654 108 HE3 TRP 12 3HE TRP 12 8.170 1.531 14.241 109 HZ2 TRP 12 2HZ TRP 12 10.940 5.203 16.172 110 HZ3 TRP 12 3HZ TRP 12 9.127 1.352 16.504 111 HH2 TRP 12 HH TRP 12 10.483 3.153 17.448 112 H ALA 13 H ALA 13 6.447 2.780 8.806 113 HA ALA 13 HA ALA 13 5.901 -0.014 8.954 114 1HB ALA 13 1HB ALA 13 4.123 0.441 7.364 115 2HB ALA 13 2HB ALA 13 4.804 2.034 7.031 116 3HB ALA 13 3HB ALA 13 4.145 1.672 8.627 117 H CYS 14 H CYS 14 7.856 1.941 6.940 118 HA CYS 14 HA CYS 14 7.982 0.212 4.675 119 1HB CYS 14 2HB CYS 14 9.979 2.307 5.552 120 2HB CYS 14 1HB CYS 14 9.815 1.623 3.939 121 HG CYS 14 HG CYS 14 7.153 3.243 5.286 122 H ARG 15 H ARG 15 9.393 0.213 7.770 123 HA ARG 15 HA ARG 15 11.950 -0.760 7.385 124 1HB ARG 15 2HB ARG 15 10.105 -0.494 9.590 125 2HB ARG 15 1HB ARG 15 11.074 -1.954 9.743 126 1HG ARG 15 2HG ARG 15 12.119 -0.073 10.871 127 2HG ARG 15 1HG ARG 15 13.111 -0.652 9.533 128 1HD ARG 15 2HD ARG 15 12.112 1.170 8.128 129 2HD ARG 15 1HD ARG 15 11.363 1.801 9.595 130 HE ARG 15 HE ARG 15 14.269 1.417 9.560 131 1HH1 ARG 15 1HH1 ARG 15 11.534 3.606 9.482 132 2HH1 ARG 15 2HH1 ARG 15 12.470 4.994 9.950 133 1HH2 ARG 15 1HH2 ARG 15 15.500 3.230 10.124 134 2HH2 ARG 15 2HH2 ARG 15 14.742 4.781 10.295 135 H ARG 16 H ARG 16 12.639 -2.941 8.392 136 HA ARG 16 HA ARG 16 12.108 -4.788 6.333 137 1HB ARG 16 2HB ARG 16 13.519 -5.323 8.945 138 2HB ARG 16 1HB ARG 16 13.706 -6.211 7.439 139 1HG ARG 16 2HG ARG 16 14.711 -4.279 6.384 140 2HG ARG 16 1HG ARG 16 14.454 -3.323 7.844 141 1HD ARG 16 2HD ARG 16 15.903 -4.936 9.068 142 2HD ARG 16 1HD ARG 16 16.250 -5.720 7.527 143 HE ARG 16 HE ARG 16 16.965 -3.239 6.944 144 1HH1 ARG 16 1HH1 ARG 16 17.585 -5.111 9.840 145 2HH1 ARG 16 2HH1 ARG 16 19.095 -4.315 10.186 146 1HH2 ARG 16 1HH2 ARG 16 18.934 -2.167 7.413 147 2HH2 ARG 16 2HH2 ARG 16 19.828 -2.607 8.835 148 H GLY 17 H GLY 17 10.464 -6.084 6.135 149 1HA GLY 17 2HA GLY 17 9.627 -7.807 8.274 150 2HA GLY 17 1HA GLY 17 8.421 -6.589 7.869 151 H MET 18 H MET 18 8.633 -6.379 5.182 152 HA MET 18 HA MET 18 8.399 -9.064 4.061 153 1HB MET 18 2HB MET 18 6.124 -8.376 4.916 154 2HB MET 18 1HB MET 18 6.164 -7.041 3.773 155 1HG MET 18 2HG MET 18 5.004 -8.547 2.541 156 2HG MET 18 1HG MET 18 6.640 -8.992 2.059 157 1HE MET 18 1HE MET 18 4.014 -11.293 5.079 158 2HE MET 18 2HE MET 18 3.485 -9.906 4.125 159 3HE MET 18 3HE MET 18 4.658 -9.687 5.426 160 H LEU 19 H LEU 19 10.102 -8.694 2.675 161 HA LEU 19 HA LEU 19 10.524 -6.257 1.288 162 1HB LEU 19 2HB LEU 19 11.562 -9.043 0.771 163 2HB LEU 19 1HB LEU 19 12.139 -7.607 -0.044 164 HG LEU 19 HG LEU 19 12.355 -8.144 2.919 165 1HD1 LEU 19 1HD1 LEU 19 13.818 -9.568 1.574 166 2HD1 LEU 19 2HD1 LEU 19 14.740 -8.375 2.487 167 3HD1 LEU 19 3HD1 LEU 19 14.462 -8.142 0.761 168 1HD2 LEU 19 1HD2 LEU 19 12.128 -5.770 2.461 169 2HD2 LEU 19 2HD2 LEU 19 13.395 -5.863 1.238 170 3HD2 LEU 19 3HD2 LEU 19 13.785 -6.142 2.936 171 H GLU 20 H GLU 20 8.664 -9.086 0.630 172 HA GLU 20 HA GLU 20 8.323 -8.823 -2.141 173 1HB GLU 20 2HB GLU 20 6.401 -9.946 -0.094 174 2HB GLU 20 1HB GLU 20 6.315 -10.209 -1.832 175 1HG GLU 20 2HG GLU 20 8.508 -11.309 -1.749 176 2HG GLU 20 1HG GLU 20 8.524 -11.099 0.002 177 H LEU 21 H LEU 21 6.833 -7.176 0.559 178 HA LEU 21 HA LEU 21 4.823 -5.958 -1.173 179 1HB LEU 21 2HB LEU 21 5.299 -5.729 1.802 180 2HB LEU 21 1HB LEU 21 4.033 -4.875 0.940 181 HG LEU 21 HG LEU 21 4.280 -7.873 1.197 182 1HD1 LEU 21 1HD1 LEU 21 2.312 -5.945 2.419 183 2HD1 LEU 21 2HD1 LEU 21 3.618 -6.768 3.274 184 3HD1 LEU 21 3HD1 LEU 21 2.288 -7.701 2.584 185 1HD2 LEU 21 1HD2 LEU 21 2.139 -6.194 -0.110 186 2HD2 LEU 21 2HD2 LEU 21 2.079 -7.940 0.130 187 3HD2 LEU 21 3HD2 LEU 21 3.291 -7.238 -0.941 188 H ASP 22 H ASP 22 7.924 -5.311 0.093 189 HA ASP 22 HA ASP 22 7.945 -2.552 0.425 190 1HB ASP 22 2HB ASP 22 9.828 -3.932 1.087 191 2HB ASP 22 1HB ASP 22 10.128 -4.391 -0.584 192 H VAL 23 H VAL 23 8.476 -4.451 -2.518 193 HA VAL 23 HA VAL 23 8.980 -2.103 -4.103 194 HB VAL 23 HB VAL 23 9.086 -3.668 -6.020 195 1HG1 VAL 23 1HG1 VAL 23 11.106 -4.819 -5.307 196 2HG1 VAL 23 2HG1 VAL 23 10.686 -4.539 -3.617 197 3HG1 VAL 23 3HG1 VAL 23 11.069 -3.175 -4.666 198 1HG2 VAL 23 1HG2 VAL 23 7.451 -5.315 -5.319 199 2HG2 VAL 23 2HG2 VAL 23 8.447 -5.754 -3.931 200 3HG2 VAL 23 3HG2 VAL 23 9.012 -6.099 -5.565 201 H VAL 24 H VAL 24 6.185 -3.616 -3.038 202 HA VAL 24 HA VAL 24 4.633 -2.858 -5.407 203 HB VAL 24 HB VAL 24 3.741 -4.389 -2.958 204 1HG1 VAL 24 1HG1 VAL 24 1.775 -4.959 -4.267 205 2HG1 VAL 24 2HG1 VAL 24 2.374 -3.989 -5.614 206 3HG1 VAL 24 3HG1 VAL 24 1.923 -3.210 -4.097 207 1HG2 VAL 24 1HG2 VAL 24 5.424 -5.618 -4.234 208 2HG2 VAL 24 2HG2 VAL 24 4.476 -5.401 -5.704 209 3HG2 VAL 24 3HG2 VAL 24 3.838 -6.373 -4.379 210 H ILE 25 H ILE 25 4.771 -2.328 -1.914 211 HA ILE 25 HA ILE 25 2.563 -0.462 -1.980 212 HB ILE 25 HB ILE 25 4.343 -1.342 0.298 213 1HG1 ILE 25 2HG1 ILE 25 1.484 -2.053 -0.398 214 2HG1 ILE 25 1HG1 ILE 25 2.877 -3.103 -0.622 215 1HG2 ILE 25 1HG2 ILE 25 1.853 0.358 0.355 216 2HG2 ILE 25 2HG2 ILE 25 3.493 0.891 0.725 217 3HG2 ILE 25 3HG2 ILE 25 2.690 -0.280 1.771 218 1HD1 ILE 25 1HD1 ILE 25 1.632 -3.716 1.362 219 2HD1 ILE 25 2HD1 ILE 25 1.834 -2.088 2.007 220 3HD1 ILE 25 3HD1 ILE 25 3.239 -3.131 1.794 221 H MET 26 H MET 26 6.054 -0.278 -1.175 222 HA MET 26 HA MET 26 5.998 2.390 -0.370 223 1HB MET 26 2HB MET 26 7.870 0.920 0.139 224 2HB MET 26 1HB MET 26 8.320 0.865 -1.559 225 1HG MET 26 2HG MET 26 8.730 3.309 -1.480 226 2HG MET 26 1HG MET 26 8.398 3.278 0.251 227 1HE MET 26 1HE MET 26 10.795 2.086 -2.623 228 2HE MET 26 2HE MET 26 10.225 0.577 -1.907 229 3HE MET 26 3HE MET 26 11.912 1.051 -1.731 230 HA PRO 27 HA PRO 27 7.441 3.724 -4.836 231 1HB PRO 27 2HB PRO 27 6.283 1.520 -6.449 232 2HB PRO 27 1HB PRO 27 7.808 2.390 -6.655 233 1HG PRO 27 2HG PRO 27 7.797 -0.104 -5.722 234 2HG PRO 27 1HG PRO 27 8.912 1.108 -5.064 235 1HD PRO 27 2HD PRO 27 6.346 0.076 -3.917 236 2HD PRO 27 1HD PRO 27 7.885 0.428 -3.102 237 H PHE 28 H PHE 28 4.487 1.795 -4.481 238 HA PHE 28 HA PHE 28 2.849 3.444 -6.094 239 1HB PHE 28 2HB PHE 28 2.069 1.230 -5.591 240 2HB PHE 28 1HB PHE 28 2.166 1.528 -3.856 241 HD1 PHE 28 1HD PHE 28 0.411 2.633 -6.936 242 HD2 PHE 28 2HD PHE 28 0.328 2.350 -2.694 243 HE1 PHE 28 1HE PHE 28 -1.916 3.429 -6.933 244 HE2 PHE 28 2HE PHE 28 -2.002 3.139 -2.684 245 HZ PHE 28 HZ PHE 28 -3.126 3.678 -4.804 246 H PHE 29 H PHE 29 3.538 3.356 -2.633 247 HA PHE 29 HA PHE 29 1.808 5.376 -1.800 248 1HB PHE 29 2HB PHE 29 3.029 3.932 -0.236 249 2HB PHE 29 1HB PHE 29 4.547 4.679 -0.719 250 HD1 PHE 29 2HD PHE 29 1.307 5.317 0.932 251 HD2 PHE 29 1HD PHE 29 5.282 6.680 0.266 252 HE1 PHE 29 2HE PHE 29 1.009 7.025 2.674 253 HE2 PHE 29 1HE PHE 29 4.992 8.391 2.009 254 HZ PHE 29 HZ PHE 29 2.851 8.565 3.212 255 H GLU 30 H GLU 30 5.177 5.607 -2.898 256 HA GLU 30 HA GLU 30 5.400 8.390 -2.605 257 1HB GLU 30 2HB GLU 30 6.825 6.664 -4.629 258 2HB GLU 30 1HB GLU 30 7.362 8.213 -3.995 259 1HG GLU 30 2HG GLU 30 7.148 6.923 -1.698 260 2HG GLU 30 1HG GLU 30 7.393 5.529 -2.742 261 H GLU 31 H GLU 31 4.232 6.418 -5.241 262 HA GLU 31 HA GLU 31 3.883 8.478 -7.156 263 1HB GLU 31 2HB GLU 31 2.565 5.791 -6.782 264 2HB GLU 31 1HB GLU 31 2.194 6.844 -8.137 265 1HG GLU 31 2HG GLU 31 4.967 5.869 -7.523 266 2HG GLU 31 1HG GLU 31 3.846 5.012 -8.581 267 H CYS 32 H CYS 32 1.620 6.976 -4.861 268 HA CYS 32 HA CYS 32 -0.570 8.556 -5.864 269 1HB CYS 32 2HB CYS 32 -0.702 6.130 -5.155 270 2HB CYS 32 1HB CYS 32 -0.582 6.693 -3.493 271 HG CYS 32 HG CYS 32 -3.042 7.926 -5.494 272 H PHE 33 H PHE 33 1.588 8.669 -3.142 273 HA PHE 33 HA PHE 33 0.162 10.131 -1.276 274 1HB PHE 33 2HB PHE 33 2.379 9.163 -0.881 275 2HB PHE 33 1HB PHE 33 3.102 10.341 -1.962 276 HD1 PHE 33 2HD PHE 33 1.501 9.833 1.299 277 HD2 PHE 33 1HD PHE 33 3.573 12.569 -1.217 278 HE1 PHE 33 2HE PHE 33 1.846 11.330 3.220 279 HE2 PHE 33 1HE PHE 33 3.927 14.067 0.702 280 HZ PHE 33 HZ PHE 33 3.060 13.451 2.921 281 H ASP 34 H ASP 34 1.776 11.227 -4.183 282 HA ASP 34 HA ASP 34 1.691 13.996 -3.744 283 1HB ASP 34 2HB ASP 34 3.054 13.118 -5.506 284 2HB ASP 34 1HB ASP 34 1.667 12.365 -6.283 285 H SER 35 H SER 35 -0.741 11.765 -4.924 286 HA SER 35 HA SER 35 -2.516 13.916 -5.735 287 1HB SER 35 2HB SER 35 -2.426 11.939 -7.150 288 2HB SER 35 1HB SER 35 -2.842 10.905 -5.784 289 HG SER 35 HG SER 35 -4.885 11.731 -5.767 290 H LEU 36 H LEU 36 -2.274 11.454 -3.227 291 HA LEU 36 HA LEU 36 -4.865 11.770 -2.150 292 1HB LEU 36 2HB LEU 36 -2.347 10.850 -0.760 293 2HB LEU 36 1HB LEU 36 -3.985 10.585 -0.198 294 HG LEU 36 HG LEU 36 -2.844 9.445 -2.748 295 1HD1 LEU 36 1HD1 LEU 36 -2.817 7.318 -1.537 296 2HD1 LEU 36 2HD1 LEU 36 -3.298 8.157 -0.061 297 3HD1 LEU 36 3HD1 LEU 36 -1.737 8.504 -0.803 298 1HD2 LEU 36 1HD2 LEU 36 -4.846 8.027 -2.712 299 2HD2 LEU 36 2HD2 LEU 36 -5.258 9.739 -2.836 300 3HD2 LEU 36 3HD2 LEU 36 -5.432 8.900 -1.294 301 H THR 37 H THR 37 -5.709 13.198 -0.738 302 HA THR 37 HA THR 37 -4.080 15.325 0.354 303 HB THR 37 HB THR 37 -6.207 15.998 1.509 304 HG1 THR 37 1HG THR 37 -7.301 13.833 -0.013 305 1HG2 THR 37 1HG2 THR 37 -7.356 16.732 -0.514 306 2HG2 THR 37 2HG2 THR 37 -6.460 15.553 -1.470 307 3HG2 THR 37 3HG2 THR 37 -5.610 16.897 -0.707 308 H GLU 38 H GLU 38 -4.227 15.768 2.763 309 HA GLU 38 HA GLU 38 -2.870 13.801 4.135 310 1HB GLU 38 2HB GLU 38 -4.642 15.884 5.409 311 2HB GLU 38 1HB GLU 38 -3.291 15.061 6.161 312 1HG GLU 38 2HG GLU 38 -2.334 17.044 5.626 313 2HG GLU 38 1HG GLU 38 -1.953 16.115 4.181 314 H SER 39 H SER 39 -6.366 14.419 4.245 315 HA SER 39 HA SER 39 -7.007 12.528 6.185 316 1HB SER 39 2HB SER 39 -8.657 13.443 3.821 317 2HB SER 39 1HB SER 39 -9.275 12.632 5.255 318 HG SER 39 HG SER 39 -8.266 14.441 6.450 319 H GLU 40 H GLU 40 -6.805 12.152 2.649 320 HA GLU 40 HA GLU 40 -7.498 9.403 2.593 321 1HB GLU 40 2HB GLU 40 -5.821 11.021 0.659 322 2HB GLU 40 1HB GLU 40 -6.502 9.434 0.330 323 1HG GLU 40 2HG GLU 40 -8.718 10.282 0.371 324 2HG GLU 40 1HG GLU 40 -8.177 11.834 1.010 325 H GLN 41 H GLN 41 -4.487 11.164 2.817 326 HA GLN 41 HA GLN 41 -2.675 9.034 2.686 327 1HB GLN 41 2HB GLN 41 -2.473 11.684 4.137 328 2HB GLN 41 1HB GLN 41 -1.119 10.620 3.819 329 1HG GLN 41 2HG GLN 41 -1.401 10.909 1.436 330 2HG GLN 41 1HG GLN 41 -2.831 11.902 1.707 331 1HE2 GLN 41 1HE2 GLN 41 -0.490 12.641 0.271 332 2HE2 GLN 41 2HE2 GLN 41 0.223 13.981 1.097 333 H ASP 42 H ASP 42 -4.360 10.518 5.402 334 HA ASP 42 HA ASP 42 -2.931 9.243 7.461 335 1HB ASP 42 2HB ASP 42 -4.393 11.310 7.631 336 2HB ASP 42 1HB ASP 42 -5.777 10.222 7.655 337 H ASP 43 H ASP 43 -6.044 8.424 5.938 338 HA ASP 43 HA ASP 43 -6.596 6.139 7.475 339 1HB ASP 43 2HB ASP 43 -7.530 7.247 4.923 340 2HB ASP 43 1HB ASP 43 -7.625 5.492 5.020 341 H PHE 44 H PHE 44 -4.677 6.560 4.545 342 HA PHE 44 HA PHE 44 -4.106 3.808 4.157 343 1HB PHE 44 2HB PHE 44 -3.859 5.667 2.453 344 2HB PHE 44 1HB PHE 44 -2.393 6.148 3.300 345 HD1 PHE 44 1HD PHE 44 -3.989 3.374 1.464 346 HD2 PHE 44 2HD PHE 44 -0.352 5.069 2.880 347 HE1 PHE 44 1HE PHE 44 -2.722 1.747 0.133 348 HE2 PHE 44 2HE PHE 44 0.925 3.445 1.545 349 HZ PHE 44 HZ PHE 44 -0.259 1.781 0.171 350 H VAL 45 H VAL 45 -2.425 6.424 5.876 351 HA VAL 45 HA VAL 45 -0.143 4.942 6.625 352 HB VAL 45 HB VAL 45 -1.437 7.299 8.013 353 1HG1 VAL 45 1HG1 VAL 45 -0.031 6.073 9.585 354 2HG1 VAL 45 2HG1 VAL 45 0.715 7.609 9.148 355 3HG1 VAL 45 3HG1 VAL 45 1.306 6.108 8.435 356 1HG2 VAL 45 1HG2 VAL 45 -0.692 7.791 5.754 357 2HG2 VAL 45 2HG2 VAL 45 0.901 7.130 6.118 358 3HG2 VAL 45 3HG2 VAL 45 0.345 8.593 6.933 359 H ALA 46 H ALA 46 -3.297 5.406 8.169 360 HA ALA 46 HA ALA 46 -2.826 4.057 10.571 361 1HB ALA 46 1HB ALA 46 -4.852 5.364 10.138 362 2HB ALA 46 2HB ALA 46 -5.246 3.729 10.671 363 3HB ALA 46 3HB ALA 46 -5.381 4.157 8.967 364 H LEU 47 H LEU 47 -3.655 2.846 7.374 365 HA LEU 47 HA LEU 47 -3.918 0.115 8.077 366 1HB LEU 47 2HB LEU 47 -3.197 1.486 5.490 367 2HB LEU 47 1HB LEU 47 -3.390 -0.249 5.621 368 HG LEU 47 HG LEU 47 -5.546 1.785 6.191 369 1HD1 LEU 47 1HD1 LEU 47 -5.011 1.697 3.828 370 2HD1 LEU 47 2HD1 LEU 47 -6.570 0.929 4.130 371 3HD1 LEU 47 3HD1 LEU 47 -5.138 -0.061 3.843 372 1HD2 LEU 47 1HD2 LEU 47 -5.633 -1.230 6.090 373 2HD2 LEU 47 2HD2 LEU 47 -7.030 -0.164 6.262 374 3HD2 LEU 47 3HD2 LEU 47 -5.807 -0.227 7.531 375 H LEU 48 H LEU 48 -1.175 2.120 7.180 376 HA LEU 48 HA LEU 48 0.644 -0.024 6.754 377 1HB LEU 48 2HB LEU 48 1.115 2.915 7.254 378 2HB LEU 48 1HB LEU 48 2.373 1.779 6.810 379 HG LEU 48 HG LEU 48 -0.020 2.465 5.098 380 1HD1 LEU 48 1HD1 LEU 48 1.538 4.337 5.311 381 2HD1 LEU 48 2HD1 LEU 48 1.591 3.642 3.690 382 3HD1 LEU 48 3HD1 LEU 48 2.874 3.283 4.846 383 1HD2 LEU 48 1HD2 LEU 48 2.433 0.813 4.503 384 2HD2 LEU 48 2HD2 LEU 48 1.147 1.212 3.364 385 3HD2 LEU 48 3HD2 LEU 48 0.805 0.186 4.757 386 H GLU 49 H GLU 49 -0.073 2.023 9.556 387 HA GLU 49 HA GLU 49 2.125 0.882 11.042 388 1HB GLU 49 2HB GLU 49 -0.060 2.793 11.865 389 2HB GLU 49 1HB GLU 49 1.214 2.237 12.945 390 1HG GLU 49 2HG GLU 49 2.823 3.118 11.132 391 2HG GLU 49 1HG GLU 49 1.419 4.006 10.544 392 H SER 50 H SER 50 -1.071 0.021 10.404 393 HA SER 50 HA SER 50 -1.435 -1.535 12.821 394 1HB SER 50 2HB SER 50 -3.343 -0.451 11.545 395 2HB SER 50 1HB SER 50 -3.072 -1.638 10.270 396 HG SER 50 HG SER 50 -3.845 -2.121 12.969 397 H ASP 51 H ASP 51 -2.417 -3.924 11.941 398 HA ASP 51 HA ASP 51 -0.061 -5.256 10.911 399 1HB ASP 51 2HB ASP 51 -1.600 -6.112 12.820 400 2HB ASP 51 1HB ASP 51 -2.692 -6.595 11.527 401 H ASP 52 H ASP 52 -0.507 -6.998 9.148 402 HA ASP 52 HA ASP 52 -2.158 -5.684 7.090 403 1HB ASP 52 2HB ASP 52 -0.477 -6.323 5.431 404 2HB ASP 52 1HB ASP 52 0.242 -5.342 6.702 405 HA PRO 53 HA PRO 53 -3.251 -10.222 7.023 406 1HB PRO 53 2HB PRO 53 -5.640 -10.047 8.530 407 2HB PRO 53 1HB PRO 53 -4.116 -10.766 9.052 408 1HG PRO 53 2HG PRO 53 -5.313 -8.450 10.100 409 2HG PRO 53 1HG PRO 53 -3.662 -9.011 10.404 410 1HD PRO 53 2HD PRO 53 -4.642 -6.915 8.531 411 2HD PRO 53 1HD PRO 53 -3.102 -7.017 9.413 412 H ASP 54 H ASP 54 -5.832 -7.807 7.443 413 HA ASP 54 HA ASP 54 -7.384 -8.745 5.254 414 1HB ASP 54 2HB ASP 54 -8.686 -6.659 5.607 415 2HB ASP 54 1HB ASP 54 -8.440 -7.566 7.095 416 H LEU 55 H LEU 55 -4.900 -6.325 5.663 417 HA LEU 55 HA LEU 55 -5.193 -5.028 3.170 418 1HB LEU 55 2HB LEU 55 -3.840 -4.333 5.264 419 2HB LEU 55 1HB LEU 55 -2.575 -5.356 4.621 420 HG LEU 55 HG LEU 55 -3.748 -3.066 3.047 421 1HD1 LEU 55 1HD1 LEU 55 -2.836 -2.215 5.157 422 2HD1 LEU 55 2HD1 LEU 55 -1.850 -1.730 3.778 423 3HD1 LEU 55 3HD1 LEU 55 -1.313 -3.041 4.829 424 1HD2 LEU 55 1HD2 LEU 55 -1.644 -3.211 1.813 425 2HD2 LEU 55 2HD2 LEU 55 -2.519 -4.741 1.754 426 3HD2 LEU 55 3HD2 LEU 55 -1.133 -4.560 2.829 427 H PHE 56 H PHE 56 -3.022 -7.656 4.243 428 HA PHE 56 HA PHE 56 -1.799 -8.144 1.766 429 1HB PHE 56 2HB PHE 56 -1.131 -9.038 4.063 430 2HB PHE 56 1HB PHE 56 -2.397 -10.239 3.854 431 HD1 PHE 56 1HD PHE 56 0.707 -8.947 2.280 432 HD2 PHE 56 2HD PHE 56 -1.979 -12.218 2.728 433 HE1 PHE 56 1HE PHE 56 2.280 -10.400 1.066 434 HE2 PHE 56 2HE PHE 56 -0.415 -13.675 1.513 435 HZ PHE 56 HZ PHE 56 1.718 -12.768 0.682 436 H ALA 57 H ALA 57 -4.836 -9.162 3.119 437 HA ALA 57 HA ALA 57 -5.399 -11.326 1.432 438 1HB ALA 57 1HB ALA 57 -7.343 -9.473 2.801 439 2HB ALA 57 2HB ALA 57 -6.590 -10.894 3.527 440 3HB ALA 57 3HB ALA 57 -7.700 -11.081 2.168 441 H TRP 58 H TRP 58 -6.007 -7.851 1.037 442 HA TRP 58 HA TRP 58 -7.497 -8.282 -1.376 443 1HB TRP 58 2HB TRP 58 -6.494 -5.823 0.003 444 2HB TRP 58 1HB TRP 58 -7.150 -5.736 -1.631 445 HD1 TRP 58 HD TRP 58 -8.239 -7.057 1.824 446 HE1 TRP 58 1HE TRP 58 -10.775 -6.702 2.061 447 HE3 TRP 58 3HE TRP 58 -9.223 -5.184 -2.821 448 HZ2 TRP 58 2HZ TRP 58 -12.922 -5.779 0.467 449 HZ3 TRP 58 3HZ TRP 58 -11.546 -4.601 -3.395 450 HH2 TRP 58 HH TRP 58 -13.355 -4.895 -1.784 451 H VAL 59 H VAL 59 -4.176 -7.593 -0.541 452 HA VAL 59 HA VAL 59 -3.231 -6.894 -3.099 453 HB VAL 59 HB VAL 59 -1.745 -8.305 -0.876 454 1HG1 VAL 59 1HG1 VAL 59 -0.681 -6.785 -3.255 455 2HG1 VAL 59 2HG1 VAL 59 -0.591 -8.530 -3.012 456 3HG1 VAL 59 3HG1 VAL 59 0.285 -7.443 -1.934 457 1HG2 VAL 59 1HG2 VAL 59 -0.934 -6.087 -0.271 458 2HG2 VAL 59 2HG2 VAL 59 -2.694 -6.167 -0.172 459 3HG2 VAL 59 3HG2 VAL 59 -1.923 -5.370 -1.544 460 H MET 60 H MET 60 -3.636 -10.024 -1.512 461 HA MET 60 HA MET 60 -2.712 -11.420 -3.897 462 1HB MET 60 2HB MET 60 -3.591 -12.372 -1.175 463 2HB MET 60 1HB MET 60 -3.230 -13.476 -2.495 464 1HG MET 60 2HG MET 60 -1.310 -11.484 -1.310 465 2HG MET 60 1HG MET 60 -1.349 -13.210 -0.955 466 1HE MET 60 1HE MET 60 1.918 -12.828 -3.091 467 2HE MET 60 2HE MET 60 1.235 -13.368 -1.557 468 3HE MET 60 3HE MET 60 1.279 -11.649 -1.947 469 H GLY 61 H GLY 61 -5.601 -10.187 -2.708 470 1HA GLY 61 2HA GLY 61 -7.741 -10.287 -3.563 471 2HA GLY 61 1HA GLY 61 -7.108 -11.278 -4.872 472 H HIS 62 H HIS 62 -6.883 -11.969 -1.441 473 HA HIS 62 HA HIS 62 -8.529 -14.372 -1.877 474 1HB HIS 62 2HB HIS 62 -6.003 -14.732 -1.872 475 2HB HIS 62 1HB HIS 62 -6.036 -14.274 -0.174 476 HD1 HIS 62 1HD HIS 62 -6.369 -16.134 1.430 477 HD2 HIS 62 2HD HIS 62 -7.690 -17.108 -2.390 478 HE1 HIS 62 1HE HIS 62 -6.999 -18.564 1.530 479 HE2 HIS 62 2HE HIS 62 -7.625 -19.172 -0.835 480 H GLY 63 H GLY 63 -9.055 -11.686 -0.634 481 1HA GLY 63 2HA GLY 63 -10.418 -12.657 1.695 482 2HA GLY 63 1HA GLY 63 -9.056 -11.623 2.102 483 H ARG 64 H ARG 64 -11.209 -10.613 3.024 484 HA ARG 64 HA ARG 64 -11.955 -8.445 1.199 485 1HB ARG 64 2HB ARG 64 -13.950 -10.020 2.842 486 2HB ARG 64 1HB ARG 64 -14.311 -8.601 1.872 487 1HG ARG 64 2HG ARG 64 -13.767 -9.813 -0.151 488 2HG ARG 64 1HG ARG 64 -13.321 -11.232 0.801 489 1HD ARG 64 2HD ARG 64 -16.050 -9.962 0.628 490 2HD ARG 64 1HD ARG 64 -15.562 -11.504 -0.074 491 HE ARG 64 HE ARG 64 -15.132 -12.173 2.347 492 1HH1 ARG 64 1HH1 ARG 64 -17.619 -9.891 1.395 493 2HH1 ARG 64 2HH1 ARG 64 -18.605 -10.201 2.792 494 1HH2 ARG 64 1HH2 ARG 64 -16.433 -12.580 4.161 495 2HH2 ARG 64 2HH2 ARG 64 -17.944 -11.734 4.348 496 H CYS 65 H CYS 65 -13.173 -6.701 2.462 497 HA CYS 65 HA CYS 65 -12.664 -6.716 5.330 498 1HB CYS 65 2HB CYS 65 -11.817 -4.395 5.242 499 2HB CYS 65 1HB CYS 65 -10.749 -5.523 4.419 500 HG CYS 65 HG CYS 65 -10.756 -3.166 2.965 501 H GLU 66 H GLU 66 -13.783 -4.632 6.280 502 HA GLU 66 HA GLU 66 -16.514 -4.942 5.389 503 1HB GLU 66 2HB GLU 66 -15.391 -3.487 7.778 504 2HB GLU 66 1HB GLU 66 -17.097 -3.776 7.472 505 1HG GLU 66 2HG GLU 66 -14.988 -5.866 7.959 506 2HG GLU 66 1HG GLU 66 -16.251 -5.365 9.081 507 H ASN 67 H ASN 67 -14.085 -2.368 5.454 508 HA ASN 67 HA ASN 67 -16.142 -0.580 4.342 509 1HB ASN 67 2HB ASN 67 -14.684 1.308 5.082 510 2HB ASN 67 1HB ASN 67 -15.346 0.343 6.393 511 1HD2 ASN 67 1HD2 ASN 67 -13.044 2.106 6.326 512 2HD2 ASN 67 2HD2 ASN 67 -11.700 1.142 6.823 513 H LEU 68 H LEU 68 -16.026 -0.149 2.293 514 HA LEU 68 HA LEU 68 -13.843 -1.130 0.730 515 1HB LEU 68 2HB LEU 68 -16.343 0.367 -0.020 516 2HB LEU 68 1HB LEU 68 -15.155 -0.167 -1.190 517 HG LEU 68 HG LEU 68 -16.831 -1.922 0.606 518 1HD1 LEU 68 1HD1 LEU 68 -17.802 -2.710 -1.476 519 2HD1 LEU 68 2HD1 LEU 68 -16.777 -1.604 -2.389 520 3HD1 LEU 68 3HD1 LEU 68 -18.014 -0.966 -1.305 521 1HD2 LEU 68 1HD2 LEU 68 -15.778 -3.816 -0.538 522 2HD2 LEU 68 2HD2 LEU 68 -14.594 -2.868 0.362 523 3HD2 LEU 68 3HD2 LEU 68 -14.704 -2.706 -1.391 524 H GLY 69 H GLY 69 -14.491 1.873 2.186 525 1HA GLY 69 2HA GLY 69 -13.164 3.615 0.414 526 2HA GLY 69 1HA GLY 69 -13.330 3.861 2.149 527 H LEU 70 H LEU 70 -11.949 1.805 3.223 528 HA LEU 70 HA LEU 70 -9.220 2.447 2.716 529 1HB LEU 70 2HB LEU 70 -10.613 0.419 4.446 530 2HB LEU 70 1HB LEU 70 -8.872 0.347 4.218 531 HG LEU 70 HG LEU 70 -10.443 2.603 5.477 532 1HD1 LEU 70 1HD1 LEU 70 -8.257 0.866 6.612 533 2HD1 LEU 70 2HD1 LEU 70 -9.977 0.583 6.864 534 3HD1 LEU 70 3HD1 LEU 70 -9.230 2.061 7.472 535 1HD2 LEU 70 1HD2 LEU 70 -8.280 3.705 5.797 536 2HD2 LEU 70 2HD2 LEU 70 -8.692 3.539 4.091 537 3HD2 LEU 70 3HD2 LEU 70 -7.508 2.455 4.821 538 H ALA 71 H ALA 71 -11.359 -0.172 1.785 539 HA ALA 71 HA ALA 71 -9.469 -1.936 0.708 540 1HB ALA 71 1HB ALA 71 -12.295 -1.474 -0.230 541 2HB ALA 71 2HB ALA 71 -11.817 -2.527 1.103 542 3HB ALA 71 3HB ALA 71 -11.307 -2.900 -0.546 543 H ALA 72 H ALA 72 -11.110 0.843 -0.717 544 HA ALA 72 HA ALA 72 -10.341 0.501 -3.375 545 1HB ALA 72 1HB ALA 72 -10.775 2.892 -3.646 546 2HB ALA 72 2HB ALA 72 -10.776 3.094 -1.893 547 3HB ALA 72 3HB ALA 72 -12.026 2.124 -2.670 548 H MET 73 H MET 73 -8.631 1.951 -0.659 549 HA MET 73 HA MET 73 -6.475 3.025 -2.127 550 1HB MET 73 2HB MET 73 -6.602 2.083 0.741 551 2HB MET 73 1HB MET 73 -5.255 2.974 0.050 552 1HG MET 73 2HG MET 73 -8.076 3.951 0.398 553 2HG MET 73 1HG MET 73 -6.653 4.462 1.300 554 1HE MET 73 1HE MET 73 -4.493 4.542 -1.054 555 2HE MET 73 2HE MET 73 -4.604 5.797 0.180 556 3HE MET 73 3HE MET 73 -4.558 6.240 -1.526 557 H VAL 74 H VAL 74 -6.960 -0.098 -0.536 558 HA VAL 74 HA VAL 74 -4.375 -1.114 -1.140 559 HB VAL 74 HB VAL 74 -6.864 -2.743 -0.603 560 1HG1 VAL 74 1HG1 VAL 74 -5.002 -4.056 -1.431 561 2HG1 VAL 74 2HG1 VAL 74 -5.245 -4.383 0.287 562 3HG1 VAL 74 3HG1 VAL 74 -3.929 -3.331 -0.234 563 1HG2 VAL 74 1HG2 VAL 74 -6.197 -2.693 1.763 564 2HG2 VAL 74 2HG2 VAL 74 -6.597 -1.083 1.162 565 3HG2 VAL 74 3HG2 VAL 74 -4.910 -1.553 1.366 566 H ASP 75 H ASP 75 -7.508 -1.268 -2.754 567 HA ASP 75 HA ASP 75 -6.880 -3.086 -4.787 568 1HB ASP 75 2HB ASP 75 -9.161 -2.381 -4.459 569 2HB ASP 75 1HB ASP 75 -8.744 -0.705 -4.799 570 H LYS 76 H LYS 76 -6.367 0.403 -4.583 571 HA LYS 76 HA LYS 76 -5.326 0.712 -7.189 572 1HB LYS 76 2HB LYS 76 -4.852 2.386 -4.708 573 2HB LYS 76 1HB LYS 76 -4.355 2.842 -6.334 574 1HG LYS 76 2HG LYS 76 -6.752 2.692 -7.023 575 2HG LYS 76 1HG LYS 76 -7.158 2.461 -5.326 576 1HD LYS 76 2HD LYS 76 -7.440 4.791 -6.024 577 2HD LYS 76 1HD LYS 76 -6.201 4.625 -4.776 578 1HE LYS 76 2HE LYS 76 -4.459 4.931 -6.322 579 2HE LYS 76 1HE LYS 76 -5.522 4.657 -7.700 580 1HZ LYS 76 1HZ LYS 76 -4.891 7.020 -7.299 581 2HZ LYS 76 2HZ LYS 76 -5.815 6.982 -5.875 582 3HZ LYS 76 3HZ LYS 76 -6.555 6.737 -7.377 583 H ILE 77 H ILE 77 -3.834 -0.177 -4.123 584 HA ILE 77 HA ILE 77 -1.142 -0.204 -4.958 585 HB ILE 77 HB ILE 77 -2.458 -2.133 -3.029 586 1HG1 ILE 77 2HG1 ILE 77 -1.113 0.515 -2.464 587 2HG1 ILE 77 1HG1 ILE 77 -2.846 0.223 -2.389 588 1HG2 ILE 77 1HG2 ILE 77 -0.264 -2.865 -3.757 589 2HG2 ILE 77 2HG2 ILE 77 -0.208 -2.340 -2.074 590 3HG2 ILE 77 3HG2 ILE 77 0.420 -1.291 -3.347 591 1HD1 ILE 77 1HD1 ILE 77 -0.781 -1.113 -0.661 592 2HD1 ILE 77 2HD1 ILE 77 -2.526 -1.343 -0.566 593 3HD1 ILE 77 3HD1 ILE 77 -1.819 0.226 -0.179 594 H VAL 78 H VAL 78 -3.681 -2.667 -5.058 595 HA VAL 78 HA VAL 78 -2.191 -4.745 -6.198 596 HB VAL 78 HB VAL 78 -5.146 -4.219 -6.572 597 1HG1 VAL 78 1HG1 VAL 78 -4.302 -5.902 -8.111 598 2HG1 VAL 78 2HG1 VAL 78 -5.284 -6.665 -6.859 599 3HG1 VAL 78 3HG1 VAL 78 -3.526 -6.758 -6.778 600 1HG2 VAL 78 1HG2 VAL 78 -4.546 -4.222 -4.216 601 2HG2 VAL 78 2HG2 VAL 78 -3.698 -5.753 -4.421 602 3HG2 VAL 78 3HG2 VAL 78 -5.448 -5.681 -4.625 603 H ALA 79 H ALA 79 -4.061 -2.135 -7.699 604 HA ALA 79 HA ALA 79 -3.804 -2.954 -10.372 605 1HB ALA 79 1HB ALA 79 -5.362 -1.212 -9.629 606 2HB ALA 79 2HB ALA 79 -4.346 -0.656 -10.959 607 3HB ALA 79 3HB ALA 79 -4.001 -0.136 -9.308 608 H HIS 80 H HIS 80 -1.688 -1.076 -8.285 609 HA HIS 80 HA HIS 80 0.227 -0.333 -10.220 610 1HB HIS 80 2HB HIS 80 0.113 0.695 -7.990 611 2HB HIS 80 1HB HIS 80 0.564 -0.836 -7.251 612 HD1 HIS 80 1HD HIS 80 2.926 -0.887 -6.579 613 HD2 HIS 80 2HD HIS 80 2.342 1.518 -9.921 614 HE1 HIS 80 1HE HIS 80 5.184 0.064 -7.130 615 HE2 HIS 80 2HE HIS 80 4.768 1.679 -9.020 616 H ASN 81 H ASN 81 -0.078 -3.168 -8.126 617 HA ASN 81 HA ASN 81 2.334 -4.413 -8.990 618 1HB ASN 81 2HB ASN 81 1.220 -4.985 -6.859 619 2HB ASN 81 1HB ASN 81 -0.130 -5.667 -7.759 620 1HD2 ASN 81 1HD2 ASN 81 0.132 -7.718 -6.915 621 2HD2 ASN 81 2HD2 ASN 81 1.458 -8.739 -7.338 622 H LEU 82 H LEU 82 -1.077 -4.828 -9.903 623 HA LEU 82 HA LEU 82 -0.771 -6.948 -11.659 624 1HB LEU 82 2HB LEU 82 -2.729 -4.667 -11.612 625 2HB LEU 82 1HB LEU 82 -2.860 -6.013 -12.713 626 HG LEU 82 HG LEU 82 -2.970 -6.193 -9.706 627 1HD1 LEU 82 1HD1 LEU 82 -5.319 -6.768 -10.049 628 2HD1 LEU 82 2HD1 LEU 82 -5.132 -6.518 -11.785 629 3HD1 LEU 82 3HD1 LEU 82 -4.958 -5.159 -10.674 630 1HD2 LEU 82 1HD2 LEU 82 -3.594 -8.536 -10.087 631 2HD2 LEU 82 2HD2 LEU 82 -1.969 -8.183 -10.676 632 3HD2 LEU 82 3HD2 LEU 82 -3.309 -8.325 -11.815 633 H SER 83 H SER 83 -0.172 -3.533 -12.115 634 HA SER 83 HA SER 83 -0.028 -3.600 -14.932 635 1HB SER 83 2HB SER 83 1.201 -1.677 -12.940 636 2HB SER 83 1HB SER 83 1.186 -1.424 -14.686 637 HG SER 83 HG SER 83 -1.045 -1.594 -12.926 638 H LYS 84 H LYS 84 2.499 -3.972 -12.431 639 HA LYS 84 HA LYS 84 4.565 -4.294 -14.379 640 1HB LYS 84 2HB LYS 84 6.017 -4.885 -12.579 641 2HB LYS 84 1HB LYS 84 4.967 -3.604 -11.997 642 1HG LYS 84 2HG LYS 84 3.538 -5.514 -11.026 643 2HG LYS 84 1HG LYS 84 4.975 -6.506 -11.279 644 1HD LYS 84 2HD LYS 84 4.821 -3.977 -9.640 645 2HD LYS 84 1HD LYS 84 4.903 -5.620 -9.005 646 1HE LYS 84 2HE LYS 84 7.029 -4.336 -10.719 647 2HE LYS 84 1HE LYS 84 7.074 -4.415 -8.960 648 1HZ LYS 84 1HZ LYS 84 6.951 -6.880 -9.193 649 2HZ LYS 84 2HZ LYS 84 8.377 -6.186 -9.791 650 3HZ LYS 84 3HZ LYS 84 7.167 -6.685 -10.866 651 H VAL 85 H VAL 85 2.226 -6.371 -12.902 652 HA VAL 85 HA VAL 85 3.390 -8.864 -13.659 653 HB VAL 85 HB VAL 85 0.535 -8.133 -12.968 654 1HG1 VAL 85 1HG1 VAL 85 0.523 -10.124 -14.354 655 2HG1 VAL 85 2HG1 VAL 85 0.145 -10.541 -12.682 656 3HG1 VAL 85 3HG1 VAL 85 1.750 -10.870 -13.332 657 1HG2 VAL 85 1HG2 VAL 85 1.042 -9.226 -10.834 658 2HG2 VAL 85 2HG2 VAL 85 2.103 -7.850 -11.136 659 3HG2 VAL 85 3HG2 VAL 85 2.700 -9.493 -11.369 660 H ARG 86 H ARG 86 0.957 -6.737 -15.126 661 HA ARG 86 HA ARG 86 0.513 -8.467 -17.372 662 1HB ARG 86 2HB ARG 86 -0.900 -6.706 -18.225 663 2HB ARG 86 1HB ARG 86 -1.179 -6.882 -16.503 664 1HG ARG 86 2HG ARG 86 0.128 -4.927 -16.026 665 2HG ARG 86 1HG ARG 86 0.547 -4.758 -17.732 666 1HD ARG 86 2HD ARG 86 -1.609 -4.123 -18.324 667 2HD ARG 86 1HD ARG 86 -2.317 -4.807 -16.863 668 HE ARG 86 HE ARG 86 -1.547 -2.930 -15.639 669 1HH1 ARG 86 1HH1 ARG 86 -0.968 -2.668 -19.085 670 2HH1 ARG 86 2HH1 ARG 86 -0.807 -0.934 -19.053 671 1HH2 ARG 86 1HH2 ARG 86 -1.311 -0.666 -15.586 672 2HH2 ARG 86 2HH2 ARG 86 -1.004 0.202 -17.060 673 H LEU 87 H LEU 87 2.824 -6.159 -16.532 674 HA LEU 87 HA LEU 87 3.591 -5.325 -19.143 675 1HB LEU 87 2HB LEU 87 4.122 -4.383 -16.705 676 2HB LEU 87 1HB LEU 87 5.565 -5.352 -16.916 677 HG LEU 87 HG LEU 87 4.695 -3.192 -18.841 678 1HD1 LEU 87 1HD1 LEU 87 6.722 -3.093 -16.618 679 2HD1 LEU 87 2HD1 LEU 87 5.196 -2.211 -16.688 680 3HD1 LEU 87 3HD1 LEU 87 6.481 -1.845 -17.840 681 1HD2 LEU 87 1HD2 LEU 87 7.315 -4.661 -18.549 682 2HD2 LEU 87 2HD2 LEU 87 6.978 -3.358 -19.689 683 3HD2 LEU 87 3HD2 LEU 87 6.136 -4.900 -19.838 684 H GLU 88 H GLU 88 5.184 -7.563 -16.838 685 HA GLU 88 HA GLU 88 6.242 -8.998 -19.180 686 1HB GLU 88 2HB GLU 88 7.783 -8.406 -16.650 687 2HB GLU 88 1HB GLU 88 8.362 -9.360 -18.006 688 1HG GLU 88 2HG GLU 88 8.265 -7.393 -19.441 689 2HG GLU 88 1HG GLU 88 7.667 -6.435 -18.085 690 H HIS 89 H HIS 89 6.575 -9.490 -15.673 691 HA HIS 89 HA HIS 89 6.300 -12.317 -16.013 692 1HB HIS 89 2HB HIS 89 6.615 -10.559 -13.588 693 2HB HIS 89 1HB HIS 89 6.404 -12.302 -13.460 694 HD1 HIS 89 1HD HIS 89 8.870 -9.684 -14.418 695 HD2 HIS 89 2HD HIS 89 8.597 -13.832 -14.306 696 HE1 HIS 89 1HE HIS 89 11.227 -10.527 -14.686 697 HE2 HIS 89 2HE HIS 89 11.048 -13.038 -14.527 698 H HIS 90 H HIS 90 4.282 -12.886 -16.679 699 HA HIS 90 HA HIS 90 1.916 -11.931 -15.324 700 1HB HIS 90 2HB HIS 90 2.147 -14.239 -17.271 701 2HB HIS 90 1HB HIS 90 0.675 -13.405 -16.798 702 HD1 HIS 90 1HD HIS 90 1.950 -10.475 -17.192 703 HD2 HIS 90 2HD HIS 90 1.971 -13.600 -19.938 704 HE1 HIS 90 1HE HIS 90 2.165 -9.393 -19.452 705 HE2 HIS 90 2HE HIS 90 2.032 -11.293 -21.105 706 H HIS 91 H HIS 91 2.255 -12.575 -13.163 707 HA HIS 91 HA HIS 91 1.982 -15.470 -12.743 708 1HB HIS 91 2HB HIS 91 3.353 -15.321 -10.727 709 2HB HIS 91 1HB HIS 91 4.259 -14.794 -12.136 710 HD1 HIS 91 1HD HIS 91 4.440 -12.069 -12.368 711 HD2 HIS 91 2HD HIS 91 3.431 -13.602 -8.639 712 HE1 HIS 91 1HE HIS 91 4.959 -10.241 -10.723 713 HE2 HIS 91 2HE HIS 91 4.550 -11.277 -8.462 714 H HIS 92 H HIS 92 0.494 -16.139 -11.351 715 HA HIS 92 HA HIS 92 -1.340 -16.154 -10.047 716 1HB HIS 92 2HB HIS 92 0.004 -15.043 -8.336 717 2HB HIS 92 1HB HIS 92 -0.341 -13.473 -9.057 718 HD1 HIS 92 1HD HIS 92 -2.206 -12.257 -7.985 719 HD2 HIS 92 2HD HIS 92 -2.557 -16.362 -7.479 720 HE1 HIS 92 1HE HIS 92 -4.250 -12.584 -6.568 721 HE2 HIS 92 2HE HIS 92 -4.599 -15.077 -6.538 722 H HIS 93 H HIS 93 -2.851 -16.154 -11.629 723 HA HIS 93 HA HIS 93 -3.947 -13.566 -12.460 724 1HB HIS 93 2HB HIS 93 -4.496 -16.378 -13.443 725 2HB HIS 93 1HB HIS 93 -5.343 -14.948 -14.024 726 HD1 HIS 93 1HD HIS 93 -2.172 -16.839 -14.368 727 HD2 HIS 93 2HD HIS 93 -3.770 -13.210 -15.627 728 HE1 HIS 93 1HE HIS 93 -0.645 -16.021 -16.186 729 HE2 HIS 93 2HE HIS 93 -1.774 -13.964 -17.102 730 H HIS 94 H HIS 94 -4.967 -16.674 -11.041 731 HA HIS 94 HA HIS 94 -7.196 -15.211 -9.810 732 1HB HIS 94 2HB HIS 94 -8.461 -17.227 -9.637 733 2HB HIS 94 1HB HIS 94 -7.854 -17.142 -11.281 734 HD1 HIS 94 1HD HIS 94 -8.050 -19.331 -8.382 735 HD2 HIS 94 2HD HIS 94 -5.619 -18.988 -11.742 736 HE1 HIS 94 1HE HIS 94 -6.876 -21.542 -8.597 737 HE2 HIS 94 2HE HIS 94 -5.608 -21.385 -10.766 Start of MODEL 16 1 1H MET 1 1HT MET 1 0.953 20.828 3.374 2 2H MET 1 2HT MET 1 1.393 19.294 2.808 3 3H MET 1 3HT MET 1 2.501 20.221 3.697 4 HA MET 1 HA MET 1 1.011 20.115 5.630 5 1HB MET 1 2HB MET 1 -0.523 18.308 3.768 6 2HB MET 1 1HB MET 1 -0.710 18.234 5.514 7 1HG MET 1 2HG MET 1 -1.256 20.618 3.761 8 2HG MET 1 1HG MET 1 -2.456 19.565 4.505 9 1HE MET 1 1HE MET 1 -2.891 22.875 6.539 10 2HE MET 1 2HE MET 1 -3.710 21.610 5.624 11 3HE MET 1 3HE MET 1 -2.569 22.684 4.815 12 H TYR 2 H TYR 2 2.531 17.901 3.443 13 HA TYR 2 HA TYR 2 3.561 16.419 5.760 14 1HB TYR 2 2HB TYR 2 2.564 15.227 3.176 15 2HB TYR 2 1HB TYR 2 3.564 14.347 4.318 16 HD1 TYR 2 2HD TYR 2 0.264 15.989 3.897 17 HD2 TYR 2 1HD TYR 2 2.627 13.335 6.239 18 HE1 TYR 2 2HE TYR 2 -1.737 15.308 5.144 19 HE2 TYR 2 1HE TYR 2 0.623 12.648 7.489 20 HH TYR 2 HH TYR 2 -1.566 13.422 8.007 21 H THR 3 H THR 3 5.584 17.074 5.831 22 HA THR 3 HA THR 3 7.150 17.366 3.391 23 HB THR 3 HB THR 3 8.930 18.184 4.998 24 HG1 THR 3 1HG THR 3 8.521 18.191 7.082 25 1HG2 THR 3 1HG2 THR 3 7.463 19.721 3.749 26 2HG2 THR 3 2HG2 THR 3 7.891 20.355 5.339 27 3HG2 THR 3 3HG2 THR 3 6.295 19.654 5.070 28 H ALA 4 H ALA 4 9.672 16.745 4.269 29 HA ALA 4 HA ALA 4 9.862 14.020 3.737 30 1HB ALA 4 1HB ALA 4 11.911 15.765 5.094 31 2HB ALA 4 2HB ALA 4 11.670 15.640 3.351 32 3HB ALA 4 3HB ALA 4 12.216 14.237 4.270 33 H GLU 5 H GLU 5 9.873 15.729 6.827 34 HA GLU 5 HA GLU 5 10.656 13.614 8.477 35 1HB GLU 5 2HB GLU 5 8.703 15.777 9.228 36 2HB GLU 5 1HB GLU 5 9.768 14.877 10.293 37 1HG GLU 5 2HG GLU 5 10.977 16.766 10.124 38 2HG GLU 5 1HG GLU 5 11.615 15.926 8.715 39 H GLN 6 H GLN 6 7.483 14.587 7.328 40 HA GLN 6 HA GLN 6 5.980 12.856 8.960 41 1HB GLN 6 2HB GLN 6 5.456 14.593 6.645 42 2HB GLN 6 1HB GLN 6 4.361 13.230 6.802 43 1HG GLN 6 2HG GLN 6 3.415 15.142 7.888 44 2HG GLN 6 1HG GLN 6 3.842 13.939 9.099 45 1HE2 GLN 6 1HE2 GLN 6 6.164 16.039 7.525 46 2HE2 GLN 6 2HE2 GLN 6 6.548 16.979 8.925 47 H LYS 7 H LYS 7 7.086 12.509 5.588 48 HA LYS 7 HA LYS 7 5.963 9.919 5.329 49 1HB LYS 7 2HB LYS 7 7.212 9.690 3.271 50 2HB LYS 7 1HB LYS 7 6.481 11.283 3.354 51 1HG LYS 7 2HG LYS 7 8.579 12.303 3.828 52 2HG LYS 7 1HG LYS 7 9.359 10.733 4.033 53 1HD LYS 7 2HD LYS 7 9.894 11.671 1.848 54 2HD LYS 7 1HD LYS 7 8.913 10.214 1.674 55 1HE LYS 7 2HE LYS 7 6.908 11.679 1.452 56 2HE LYS 7 1HE LYS 7 7.985 13.074 1.450 57 1HZ LYS 7 1HZ LYS 7 9.111 11.947 -0.506 58 2HZ LYS 7 2HZ LYS 7 7.580 12.611 -0.783 59 3HZ LYS 7 3HZ LYS 7 7.748 10.932 -0.588 60 H ALA 8 H ALA 8 8.984 11.126 6.568 61 HA ALA 8 HA ALA 8 10.426 8.709 6.598 62 1HB ALA 8 1HB ALA 8 11.464 10.888 6.990 63 2HB ALA 8 2HB ALA 8 11.825 9.752 8.290 64 3HB ALA 8 3HB ALA 8 10.617 11.015 8.532 65 H ARG 9 H ARG 9 8.218 10.143 9.000 66 HA ARG 9 HA ARG 9 8.492 8.042 10.877 67 1HB ARG 9 2HB ARG 9 6.433 10.176 10.441 68 2HB ARG 9 1HB ARG 9 6.161 8.908 11.631 69 1HG ARG 9 2HG ARG 9 8.296 9.518 12.710 70 2HG ARG 9 1HG ARG 9 8.459 10.850 11.568 71 1HD ARG 9 2HD ARG 9 6.020 10.566 13.294 72 2HD ARG 9 1HD ARG 9 7.482 11.344 13.899 73 HE ARG 9 HE ARG 9 5.661 12.358 11.859 74 1HH1 ARG 9 1HH1 ARG 9 8.736 12.649 13.517 75 2HH1 ARG 9 2HH1 ARG 9 8.945 14.327 13.112 76 1HH2 ARG 9 1HH2 ARG 9 5.900 14.606 11.393 77 2HH2 ARG 9 2HH2 ARG 9 7.320 15.446 11.943 78 H ILE 10 H ILE 10 6.414 8.514 8.108 79 HA ILE 10 HA ILE 10 4.802 6.212 8.440 80 HB ILE 10 HB ILE 10 5.625 7.620 5.897 81 1HG1 ILE 10 2HG1 ILE 10 3.114 7.834 7.568 82 2HG1 ILE 10 1HG1 ILE 10 4.402 9.028 7.526 83 1HG2 ILE 10 1HG2 ILE 10 3.396 5.639 6.364 84 2HG2 ILE 10 2HG2 ILE 10 4.870 5.342 5.442 85 3HG2 ILE 10 3HG2 ILE 10 3.696 6.526 4.869 86 1HD1 ILE 10 1HD1 ILE 10 2.526 9.723 6.168 87 2HD1 ILE 10 2HD1 ILE 10 2.653 8.246 5.213 88 3HD1 ILE 10 3HD1 ILE 10 3.951 9.439 5.166 89 H LYS 11 H LYS 11 7.860 6.781 6.805 90 HA LYS 11 HA LYS 11 8.377 4.293 5.706 91 1HB LYS 11 2HB LYS 11 9.775 6.202 5.246 92 2HB LYS 11 1HB LYS 11 10.245 6.324 6.932 93 1HG LYS 11 2HG LYS 11 12.057 5.401 5.679 94 2HG LYS 11 1HG LYS 11 11.392 4.145 6.724 95 1HD LYS 11 2HD LYS 11 10.256 3.124 4.890 96 2HD LYS 11 1HD LYS 11 10.647 4.474 3.823 97 1HE LYS 11 2HE LYS 11 12.608 2.546 5.061 98 2HE LYS 11 1HE LYS 11 12.099 2.577 3.372 99 1HZ LYS 11 1HZ LYS 11 13.651 4.661 4.810 100 2HZ LYS 11 2HZ LYS 11 13.012 4.867 3.255 101 3HZ LYS 11 3HZ LYS 11 14.188 3.681 3.533 102 H TRP 12 H TRP 12 8.797 5.385 9.034 103 HA TRP 12 HA TRP 12 10.174 3.099 9.972 104 1HB TRP 12 2HB TRP 12 8.554 5.236 11.328 105 2HB TRP 12 1HB TRP 12 9.207 3.877 12.237 106 HD1 TRP 12 HD TRP 12 11.047 5.858 9.453 107 HE1 TRP 12 1HE TRP 12 13.191 6.854 10.475 108 HE3 TRP 12 3HE TRP 12 10.357 4.447 14.315 109 HZ2 TRP 12 2HZ TRP 12 14.413 7.025 13.001 110 HZ3 TRP 12 3HZ TRP 12 12.062 5.070 15.974 111 HH2 TRP 12 HH TRP 12 14.048 6.332 15.329 112 H ALA 13 H ALA 13 6.872 3.640 9.193 113 HA ALA 13 HA ALA 13 5.996 1.281 10.699 114 1HB ALA 13 1HB ALA 13 3.716 2.016 10.164 115 2HB ALA 13 2HB ALA 13 4.370 3.337 9.194 116 3HB ALA 13 3HB ALA 13 4.640 3.305 10.936 117 H CYS 14 H CYS 14 7.691 1.171 8.309 118 HA CYS 14 HA CYS 14 6.311 0.407 6.012 119 1HB CYS 14 2HB CYS 14 8.511 -0.945 5.609 120 2HB CYS 14 1HB CYS 14 8.555 0.815 5.649 121 HG CYS 14 HG CYS 14 10.032 1.113 7.761 122 H ARG 15 H ARG 15 6.913 -1.353 8.941 123 HA ARG 15 HA ARG 15 5.935 -3.240 9.747 124 1HB ARG 15 2HB ARG 15 4.333 -2.651 7.426 125 2HB ARG 15 1HB ARG 15 4.530 -4.389 7.594 126 1HG ARG 15 2HG ARG 15 3.695 -2.694 9.915 127 2HG ARG 15 1HG ARG 15 2.525 -3.266 8.722 128 1HD ARG 15 2HD ARG 15 3.029 -5.544 9.206 129 2HD ARG 15 1HD ARG 15 4.423 -5.089 10.185 130 HE ARG 15 HE ARG 15 2.735 -4.027 11.716 131 1HH1 ARG 15 1HH1 ARG 15 1.785 -6.680 9.613 132 2HH1 ARG 15 2HH1 ARG 15 0.603 -7.287 10.722 133 1HH2 ARG 15 1HH2 ARG 15 1.184 -4.840 13.162 134 2HH2 ARG 15 2HH2 ARG 15 0.263 -6.259 12.747 135 H ARG 16 H ARG 16 7.124 -4.963 10.116 136 HA ARG 16 HA ARG 16 8.581 -6.193 7.913 137 1HB ARG 16 2HB ARG 16 9.730 -7.531 9.671 138 2HB ARG 16 1HB ARG 16 9.959 -5.800 9.838 139 1HG ARG 16 2HG ARG 16 7.768 -7.084 11.380 140 2HG ARG 16 1HG ARG 16 9.435 -7.327 11.907 141 1HD ARG 16 2HD ARG 16 8.102 -4.662 11.452 142 2HD ARG 16 1HD ARG 16 8.385 -5.411 13.024 143 HE ARG 16 HE ARG 16 10.723 -4.999 11.349 144 1HH1 ARG 16 1HH1 ARG 16 8.704 -3.776 13.930 145 2HH1 ARG 16 2HH1 ARG 16 9.948 -2.764 14.596 146 1HH2 ARG 16 1HH2 ARG 16 12.376 -3.687 12.231 147 2HH2 ARG 16 2HH2 ARG 16 12.039 -2.726 13.647 148 H GLY 17 H GLY 17 8.019 -8.017 7.008 149 1HA GLY 17 2HA GLY 17 6.789 -10.208 8.226 150 2HA GLY 17 1HA GLY 17 5.516 -9.214 7.523 151 H MET 18 H MET 18 6.502 -8.297 5.261 152 HA MET 18 HA MET 18 7.556 -10.597 3.764 153 1HB MET 18 2HB MET 18 5.348 -8.746 2.823 154 2HB MET 18 1HB MET 18 6.080 -10.031 1.878 155 1HG MET 18 2HG MET 18 4.512 -10.425 4.412 156 2HG MET 18 1HG MET 18 3.884 -10.635 2.780 157 1HE MET 18 1HE MET 18 6.333 -12.020 1.261 158 2HE MET 18 2HE MET 18 4.650 -12.524 1.116 159 3HE MET 18 3HE MET 18 5.899 -13.715 1.477 160 H LEU 19 H LEU 19 9.428 -10.025 2.850 161 HA LEU 19 HA LEU 19 10.459 -7.431 2.946 162 1HB LEU 19 2HB LEU 19 11.290 -9.738 1.189 163 2HB LEU 19 1HB LEU 19 12.247 -8.305 1.501 164 HG LEU 19 HG LEU 19 11.449 -10.375 3.545 165 1HD1 LEU 19 1HD1 LEU 19 13.834 -10.899 3.607 166 2HD1 LEU 19 2HD1 LEU 19 14.123 -9.738 2.311 167 3HD1 LEU 19 3HD1 LEU 19 13.152 -11.177 2.005 168 1HD2 LEU 19 1HD2 LEU 19 11.557 -8.153 4.534 169 2HD2 LEU 19 2HD2 LEU 19 13.156 -7.905 3.834 170 3HD2 LEU 19 3HD2 LEU 19 12.915 -9.142 5.070 171 H GLU 20 H GLU 20 8.691 -9.136 0.467 172 HA GLU 20 HA GLU 20 9.182 -7.312 -1.650 173 1HB GLU 20 2HB GLU 20 6.952 -9.310 -1.231 174 2HB GLU 20 1HB GLU 20 7.291 -8.482 -2.748 175 1HG GLU 20 2HG GLU 20 9.308 -9.608 -3.051 176 2HG GLU 20 1HG GLU 20 9.388 -10.108 -1.363 177 H LEU 21 H LEU 21 6.732 -7.509 0.870 178 HA LEU 21 HA LEU 21 5.057 -5.459 -0.211 179 1HB LEU 21 2HB LEU 21 5.259 -6.651 2.553 180 2HB LEU 21 1HB LEU 21 4.096 -5.410 2.132 181 HG LEU 21 HG LEU 21 4.252 -8.188 0.972 182 1HD1 LEU 21 1HD1 LEU 21 3.343 -8.115 3.225 183 2HD1 LEU 21 2HD1 LEU 21 2.076 -8.481 2.054 184 3HD1 LEU 21 3HD1 LEU 21 2.202 -6.862 2.740 185 1HD2 LEU 21 1HD2 LEU 21 3.569 -6.574 -0.734 186 2HD2 LEU 21 2HD2 LEU 21 2.315 -5.960 0.346 187 3HD2 LEU 21 3HD2 LEU 21 2.227 -7.614 -0.258 188 H ASP 22 H ASP 22 7.775 -5.575 1.966 189 HA ASP 22 HA ASP 22 7.755 -2.944 2.929 190 1HB ASP 22 2HB ASP 22 9.229 -4.578 3.905 191 2HB ASP 22 1HB ASP 22 10.032 -4.859 2.368 192 H VAL 23 H VAL 23 8.807 -4.303 -0.112 193 HA VAL 23 HA VAL 23 10.126 -1.944 -1.057 194 HB VAL 23 HB VAL 23 9.082 -4.295 -2.650 195 1HG1 VAL 23 1HG1 VAL 23 10.701 -3.621 -4.341 196 2HG1 VAL 23 2HG1 VAL 23 11.181 -2.246 -3.347 197 3HG1 VAL 23 3HG1 VAL 23 9.553 -2.322 -4.020 198 1HG2 VAL 23 1HG2 VAL 23 10.633 -5.005 -0.913 199 2HG2 VAL 23 2HG2 VAL 23 11.819 -3.830 -1.486 200 3HG2 VAL 23 3HG2 VAL 23 11.341 -5.180 -2.517 201 H VAL 24 H VAL 24 6.858 -3.113 -1.033 202 HA VAL 24 HA VAL 24 5.870 -1.667 -3.258 203 HB VAL 24 HB VAL 24 4.397 -2.753 -0.850 204 1HG1 VAL 24 1HG1 VAL 24 2.364 -2.557 -2.160 205 2HG1 VAL 24 2HG1 VAL 24 3.269 -1.847 -3.497 206 3HG1 VAL 24 3HG1 VAL 24 3.121 -0.974 -1.973 207 1HG2 VAL 24 1HG2 VAL 24 4.820 -3.872 -3.616 208 2HG2 VAL 24 2HG2 VAL 24 3.764 -4.570 -2.388 209 3HG2 VAL 24 3HG2 VAL 24 5.504 -4.488 -2.112 210 H ILE 25 H ILE 25 5.848 -0.949 0.231 211 HA ILE 25 HA ILE 25 4.175 1.277 0.108 212 HB ILE 25 HB ILE 25 6.381 0.725 2.095 213 1HG1 ILE 25 2HG1 ILE 25 3.428 0.059 2.133 214 2HG1 ILE 25 1HG1 ILE 25 4.744 -1.093 1.942 215 1HG2 ILE 25 1HG2 ILE 25 5.686 3.052 2.189 216 2HG2 ILE 25 2HG2 ILE 25 5.102 2.183 3.608 217 3HG2 ILE 25 3HG2 ILE 25 3.994 2.566 2.289 218 1HD1 ILE 25 1HD1 ILE 25 3.792 -1.075 4.203 219 2HD1 ILE 25 2HD1 ILE 25 4.293 0.606 4.382 220 3HD1 ILE 25 3HD1 ILE 25 5.505 -0.660 4.180 221 H MET 26 H MET 26 7.649 1.072 -0.449 222 HA MET 26 HA MET 26 8.321 3.719 0.142 223 1HB MET 26 2HB MET 26 9.993 1.982 -0.002 224 2HB MET 26 1HB MET 26 9.677 1.763 -1.717 225 1HG MET 26 2HG MET 26 10.545 3.963 -2.195 226 2HG MET 26 1HG MET 26 10.752 4.281 -0.473 227 1HE MET 26 1HE MET 26 11.455 0.841 -2.246 228 2HE MET 26 2HE MET 26 13.142 1.033 -2.725 229 3HE MET 26 3HE MET 26 11.893 2.019 -3.485 230 HA PRO 27 HA PRO 27 7.713 5.064 -4.342 231 1HB PRO 27 2HB PRO 27 6.896 3.041 -6.154 232 2HB PRO 27 1HB PRO 27 8.495 3.771 -6.018 233 1HG PRO 27 2HG PRO 27 7.853 1.119 -5.433 234 2HG PRO 27 1HG PRO 27 9.330 1.961 -4.941 235 1HD PRO 27 2HD PRO 27 6.852 1.400 -3.379 236 2HD PRO 27 1HD PRO 27 8.544 1.457 -2.838 237 H PHE 28 H PHE 28 5.385 2.575 -3.426 238 HA PHE 28 HA PHE 28 3.277 3.561 -5.041 239 1HB PHE 28 2HB PHE 28 3.378 1.655 -2.727 240 2HB PHE 28 1HB PHE 28 1.833 2.192 -3.376 241 HD1 PHE 28 1HD PHE 28 5.092 0.837 -4.614 242 HD2 PHE 28 2HD PHE 28 0.853 0.880 -4.972 243 HE1 PHE 28 1HE PHE 28 5.223 -0.900 -6.350 244 HE2 PHE 28 2HE PHE 28 0.976 -0.855 -6.707 245 HZ PHE 28 HZ PHE 28 3.164 -1.747 -7.401 246 H PHE 29 H PHE 29 4.263 4.253 -1.709 247 HA PHE 29 HA PHE 29 2.034 5.790 -0.966 248 1HB PHE 29 2HB PHE 29 3.680 5.199 0.706 249 2HB PHE 29 1HB PHE 29 4.940 6.070 -0.166 250 HD1 PHE 29 2HD PHE 29 1.620 6.652 1.435 251 HD2 PHE 29 1HD PHE 29 5.462 8.223 0.483 252 HE1 PHE 29 2HE PHE 29 1.100 8.695 2.703 253 HE2 PHE 29 1HE PHE 29 4.941 10.271 1.741 254 HZ PHE 29 HZ PHE 29 2.759 10.506 2.853 255 H GLU 30 H GLU 30 5.049 6.763 -2.537 256 HA GLU 30 HA GLU 30 4.581 9.480 -2.806 257 1HB GLU 30 2HB GLU 30 5.934 7.678 -4.822 258 2HB GLU 30 1HB GLU 30 6.183 9.395 -4.620 259 1HG GLU 30 2HG GLU 30 6.753 7.466 -2.456 260 2HG GLU 30 1HG GLU 30 7.939 7.869 -3.681 261 H GLU 31 H GLU 31 3.539 6.791 -4.823 262 HA GLU 31 HA GLU 31 2.353 8.352 -6.881 263 1HB GLU 31 2HB GLU 31 2.017 5.464 -6.072 264 2HB GLU 31 1HB GLU 31 1.224 6.165 -7.476 265 1HG GLU 31 2HG GLU 31 4.202 6.118 -7.056 266 2HG GLU 31 1HG GLU 31 3.306 4.922 -7.992 267 H CYS 32 H CYS 32 0.922 6.582 -4.117 268 HA CYS 32 HA CYS 32 -1.737 7.287 -4.906 269 1HB CYS 32 2HB CYS 32 -2.412 6.248 -2.751 270 2HB CYS 32 1HB CYS 32 -1.406 5.204 -3.746 271 HG CYS 32 HG CYS 32 0.860 5.435 -2.239 272 H PHE 33 H PHE 33 0.619 8.641 -2.717 273 HA PHE 33 HA PHE 33 -0.924 10.263 -1.100 274 1HB PHE 33 2HB PHE 33 1.433 10.085 -0.729 275 2HB PHE 33 1HB PHE 33 1.800 10.731 -2.322 276 HD1 PHE 33 1HD PHE 33 0.349 11.613 0.977 277 HD2 PHE 33 2HD PHE 33 2.115 13.034 -2.628 278 HE1 PHE 33 1HE PHE 33 0.521 13.865 1.955 279 HE2 PHE 33 2HE PHE 33 2.291 15.290 -1.657 280 HZ PHE 33 HZ PHE 33 1.494 15.705 0.639 281 H ASP 34 H ASP 34 0.007 10.734 -4.437 282 HA ASP 34 HA ASP 34 -0.760 13.410 -4.768 283 1HB ASP 34 2HB ASP 34 0.587 12.410 -6.443 284 2HB ASP 34 1HB ASP 34 -0.544 11.084 -6.673 285 H SER 35 H SER 35 -2.693 10.520 -4.560 286 HA SER 35 HA SER 35 -5.058 12.112 -5.291 287 1HB SER 35 2HB SER 35 -6.051 9.780 -5.849 288 2HB SER 35 1HB SER 35 -4.933 10.523 -6.994 289 HG SER 35 HG SER 35 -3.440 9.076 -6.516 290 H LEU 36 H LEU 36 -3.549 11.134 -2.684 291 HA LEU 36 HA LEU 36 -5.883 10.085 -1.269 292 1HB LEU 36 2HB LEU 36 -3.012 10.481 -0.458 293 2HB LEU 36 1HB LEU 36 -4.261 10.063 0.698 294 HG LEU 36 HG LEU 36 -3.398 8.402 -1.669 295 1HD1 LEU 36 1HD1 LEU 36 -2.620 6.833 0.062 296 2HD1 LEU 36 2HD1 LEU 36 -3.024 8.023 1.300 297 3HD1 LEU 36 3HD1 LEU 36 -1.767 8.374 0.114 298 1HD2 LEU 36 1HD2 LEU 36 -5.464 7.831 0.453 299 2HD2 LEU 36 2HD2 LEU 36 -4.908 6.698 -0.781 300 3HD2 LEU 36 3HD2 LEU 36 -5.782 8.155 -1.252 301 H THR 37 H THR 37 -5.761 11.066 1.163 302 HA THR 37 HA THR 37 -5.532 13.969 1.115 303 HB THR 37 HB THR 37 -8.056 12.765 2.226 304 HG1 THR 37 1HG THR 37 -7.391 13.156 -0.465 305 1HG2 THR 37 1HG2 THR 37 -7.538 15.077 2.813 306 2HG2 THR 37 2HG2 THR 37 -8.961 15.004 1.774 307 3HG2 THR 37 3HG2 THR 37 -7.405 15.492 1.103 308 H GLU 38 H GLU 38 -5.863 14.784 3.457 309 HA GLU 38 HA GLU 38 -4.074 13.406 5.134 310 1HB GLU 38 2HB GLU 38 -6.179 15.404 5.995 311 2HB GLU 38 1HB GLU 38 -4.736 14.963 6.888 312 1HG GLU 38 2HG GLU 38 -4.043 16.908 5.974 313 2HG GLU 38 1HG GLU 38 -3.549 15.802 4.698 314 H SER 39 H SER 39 -7.614 13.531 5.154 315 HA SER 39 HA SER 39 -8.122 11.925 7.352 316 1HB SER 39 2HB SER 39 -10.243 11.348 6.086 317 2HB SER 39 1HB SER 39 -9.921 13.067 6.279 318 HG SER 39 HG SER 39 -10.359 11.781 4.038 319 H GLU 40 H GLU 40 -7.675 10.946 3.962 320 HA GLU 40 HA GLU 40 -7.929 8.169 4.414 321 1HB GLU 40 2HB GLU 40 -6.360 9.496 2.199 322 2HB GLU 40 1HB GLU 40 -7.074 7.890 2.180 323 1HG GLU 40 2HG GLU 40 -8.600 10.481 2.282 324 2HG GLU 40 1HG GLU 40 -8.347 9.491 0.848 325 H GLN 41 H GLN 41 -5.224 10.380 4.479 326 HA GLN 41 HA GLN 41 -3.162 8.458 4.636 327 1HB GLN 41 2HB GLN 41 -3.400 11.378 5.238 328 2HB GLN 41 1HB GLN 41 -1.949 10.521 5.723 329 1HG GLN 41 2HG GLN 41 -1.593 9.814 3.410 330 2HG GLN 41 1HG GLN 41 -3.055 10.670 2.931 331 1HE2 GLN 41 1HE2 GLN 41 -3.043 12.903 2.844 332 2HE2 GLN 41 2HE2 GLN 41 -1.582 13.820 2.864 333 H ASP 42 H ASP 42 -5.296 9.859 7.024 334 HA ASP 42 HA ASP 42 -3.906 8.936 9.320 335 1HB ASP 42 2HB ASP 42 -5.647 10.614 9.545 336 2HB ASP 42 1HB ASP 42 -6.849 9.500 8.904 337 H ASP 43 H ASP 43 -6.538 7.563 7.390 338 HA ASP 43 HA ASP 43 -6.735 5.124 8.798 339 1HB ASP 43 2HB ASP 43 -7.522 5.973 6.023 340 2HB ASP 43 1HB ASP 43 -7.721 4.309 6.559 341 H PHE 44 H PHE 44 -4.739 6.184 6.111 342 HA PHE 44 HA PHE 44 -3.624 3.714 5.402 343 1HB PHE 44 2HB PHE 44 -3.405 5.777 4.055 344 2HB PHE 44 1HB PHE 44 -2.333 6.454 5.273 345 HD1 PHE 44 1HD PHE 44 -2.659 3.505 3.024 346 HD2 PHE 44 2HD PHE 44 -0.061 6.210 5.031 347 HE1 PHE 44 1HE PHE 44 -0.732 2.507 1.865 348 HE2 PHE 44 2HE PHE 44 1.870 5.218 3.877 349 HZ PHE 44 HZ PHE 44 1.536 3.365 2.291 350 H VAL 45 H VAL 45 -2.416 6.183 7.680 351 HA VAL 45 HA VAL 45 -0.172 4.666 8.509 352 HB VAL 45 HB VAL 45 -1.635 6.872 9.975 353 1HG1 VAL 45 1HG1 VAL 45 1.107 5.709 10.460 354 2HG1 VAL 45 2HG1 VAL 45 -0.293 5.570 11.524 355 3HG1 VAL 45 3HG1 VAL 45 0.454 7.145 11.249 356 1HG2 VAL 45 1HG2 VAL 45 -0.772 7.602 7.817 357 2HG2 VAL 45 2HG2 VAL 45 0.821 6.963 8.222 358 3HG2 VAL 45 3HG2 VAL 45 0.159 8.320 9.132 359 H ALA 46 H ALA 46 -3.482 4.943 9.710 360 HA ALA 46 HA ALA 46 -3.204 3.408 12.039 361 1HB ALA 46 1HB ALA 46 -5.196 4.738 11.545 362 2HB ALA 46 2HB ALA 46 -5.607 3.064 11.918 363 3HB ALA 46 3HB ALA 46 -5.614 3.617 10.245 364 H LEU 47 H LEU 47 -3.966 2.448 8.717 365 HA LEU 47 HA LEU 47 -4.380 -0.291 9.284 366 1HB LEU 47 2HB LEU 47 -5.159 0.922 7.241 367 2HB LEU 47 1HB LEU 47 -3.501 0.935 6.674 368 HG LEU 47 HG LEU 47 -3.500 -1.527 6.615 369 1HD1 LEU 47 1HD1 LEU 47 -6.414 -1.266 7.356 370 2HD1 LEU 47 2HD1 LEU 47 -5.142 -1.919 8.390 371 3HD1 LEU 47 3HD1 LEU 47 -5.587 -2.754 6.901 372 1HD2 LEU 47 1HD2 LEU 47 -5.802 -0.276 5.119 373 2HD2 LEU 47 2HD2 LEU 47 -4.973 -1.774 4.692 374 3HD2 LEU 47 3HD2 LEU 47 -4.110 -0.237 4.622 375 H LEU 48 H LEU 48 -1.503 1.554 8.413 376 HA LEU 48 HA LEU 48 0.201 -0.613 7.855 377 1HB LEU 48 2HB LEU 48 0.832 2.138 8.914 378 2HB LEU 48 1HB LEU 48 2.048 0.992 8.385 379 HG LEU 48 HG LEU 48 -0.091 2.243 6.658 380 1HD1 LEU 48 1HD1 LEU 48 1.779 3.352 5.560 381 2HD1 LEU 48 2HD1 LEU 48 2.900 2.607 6.700 382 3HD1 LEU 48 3HD1 LEU 48 1.708 3.774 7.271 383 1HD2 LEU 48 1HD2 LEU 48 0.389 -0.048 5.960 384 2HD2 LEU 48 2HD2 LEU 48 2.114 0.317 5.929 385 3HD2 LEU 48 3HD2 LEU 48 1.022 1.116 4.797 386 H GLU 49 H GLU 49 -0.721 0.885 10.896 387 HA GLU 49 HA GLU 49 1.199 -0.706 12.365 388 1HB GLU 49 2HB GLU 49 -0.927 1.232 13.265 389 2HB GLU 49 1HB GLU 49 0.068 0.307 14.385 390 1HG GLU 49 2HG GLU 49 2.078 1.303 13.263 391 2HG GLU 49 1HG GLU 49 0.973 2.371 12.397 392 H SER 50 H SER 50 -1.877 -1.166 11.113 393 HA SER 50 HA SER 50 -2.728 -3.044 13.172 394 1HB SER 50 2HB SER 50 -4.075 -2.261 10.574 395 2HB SER 50 1HB SER 50 -4.792 -3.225 11.866 396 HG SER 50 HG SER 50 -3.907 -0.526 12.073 397 H ASP 51 H ASP 51 -3.654 -5.189 12.268 398 HA ASP 51 HA ASP 51 -1.508 -6.611 11.044 399 1HB ASP 51 2HB ASP 51 -3.186 -7.475 12.783 400 2HB ASP 51 1HB ASP 51 -4.310 -7.662 11.443 401 H ASP 52 H ASP 52 -1.750 -7.965 9.071 402 HA ASP 52 HA ASP 52 -3.244 -6.416 7.047 403 1HB ASP 52 2HB ASP 52 -1.352 -6.837 5.510 404 2HB ASP 52 1HB ASP 52 -0.865 -5.935 6.940 405 HA PRO 53 HA PRO 53 -4.098 -10.977 6.259 406 1HB PRO 53 2HB PRO 53 -6.717 -10.902 7.418 407 2HB PRO 53 1HB PRO 53 -5.320 -11.833 7.960 408 1HG PRO 53 2HG PRO 53 -6.454 -9.751 9.370 409 2HG PRO 53 1HG PRO 53 -4.786 -10.314 9.569 410 1HD PRO 53 2HD PRO 53 -5.823 -7.976 8.015 411 2HD PRO 53 1HD PRO 53 -4.360 -8.108 9.018 412 H ASP 54 H ASP 54 -6.830 -8.697 6.526 413 HA ASP 54 HA ASP 54 -7.947 -9.415 4.013 414 1HB ASP 54 2HB ASP 54 -9.398 -7.431 4.342 415 2HB ASP 54 1HB ASP 54 -9.367 -8.479 5.753 416 H LEU 55 H LEU 55 -5.691 -7.005 5.134 417 HA LEU 55 HA LEU 55 -5.530 -5.366 2.886 418 1HB LEU 55 2HB LEU 55 -4.456 -4.977 5.110 419 2HB LEU 55 1HB LEU 55 -3.271 -6.203 4.715 420 HG LEU 55 HG LEU 55 -3.603 -3.750 2.998 421 1HD1 LEU 55 1HD1 LEU 55 -3.250 -2.948 5.257 422 2HD1 LEU 55 2HD1 LEU 55 -1.779 -2.733 4.307 423 3HD1 LEU 55 3HD1 LEU 55 -1.894 -4.057 5.466 424 1HD2 LEU 55 1HD2 LEU 55 -1.265 -5.591 3.524 425 2HD2 LEU 55 2HD2 LEU 55 -1.263 -4.194 2.447 426 3HD2 LEU 55 3HD2 LEU 55 -2.275 -5.590 2.077 427 H PHE 56 H PHE 56 -3.682 -8.301 3.694 428 HA PHE 56 HA PHE 56 -2.126 -8.440 1.376 429 1HB PHE 56 2HB PHE 56 -1.826 -9.765 3.500 430 2HB PHE 56 1HB PHE 56 -3.170 -10.778 2.989 431 HD1 PHE 56 2HD PHE 56 0.168 -9.586 1.863 432 HD2 PHE 56 1HD PHE 56 -2.774 -12.655 1.710 433 HE1 PHE 56 2HE PHE 56 1.728 -11.012 0.600 434 HE2 PHE 56 1HE PHE 56 -1.222 -14.088 0.449 435 HZ PHE 56 HZ PHE 56 1.030 -13.268 -0.108 436 H ALA 57 H ALA 57 -5.396 -9.486 2.029 437 HA ALA 57 HA ALA 57 -5.646 -11.106 -0.312 438 1HB ALA 57 1HB ALA 57 -7.985 -11.292 0.308 439 2HB ALA 57 2HB ALA 57 -7.791 -9.998 1.491 440 3HB ALA 57 3HB ALA 57 -6.949 -11.530 1.716 441 H TRP 58 H TRP 58 -6.308 -7.731 0.442 442 HA TRP 58 HA TRP 58 -7.843 -7.355 -1.949 443 1HB TRP 58 2HB TRP 58 -6.852 -5.523 0.182 444 2HB TRP 58 1HB TRP 58 -7.404 -4.850 -1.352 445 HD1 TRP 58 HD TRP 58 -8.717 -7.142 1.456 446 HE1 TRP 58 1HE TRP 58 -11.265 -6.842 1.623 447 HE3 TRP 58 3HE TRP 58 -9.419 -4.018 -2.529 448 HZ2 TRP 58 2HZ TRP 58 -13.308 -5.479 0.230 449 HZ3 TRP 58 3HZ TRP 58 -11.705 -3.276 -3.056 450 HH2 TRP 58 HH TRP 58 -13.610 -3.994 -1.704 451 H VAL 59 H VAL 59 -4.493 -7.078 -1.062 452 HA VAL 59 HA VAL 59 -3.627 -5.536 -3.265 453 HB VAL 59 HB VAL 59 -2.090 -7.592 -1.661 454 1HG1 VAL 59 1HG1 VAL 59 -1.080 -5.438 -3.522 455 2HG1 VAL 59 2HG1 VAL 59 -0.985 -7.178 -3.790 456 3HG1 VAL 59 3HG1 VAL 59 -0.074 -6.438 -2.474 457 1HG2 VAL 59 1HG2 VAL 59 -2.262 -4.592 -1.399 458 2HG2 VAL 59 2HG2 VAL 59 -1.206 -5.647 -0.459 459 3HG2 VAL 59 3HG2 VAL 59 -2.958 -5.778 -0.294 460 H MET 60 H MET 60 -4.250 -8.974 -2.860 461 HA MET 60 HA MET 60 -3.431 -9.464 -5.621 462 1HB MET 60 2HB MET 60 -3.834 -11.823 -5.167 463 2HB MET 60 1HB MET 60 -2.767 -11.132 -3.957 464 1HG MET 60 2HG MET 60 -4.554 -11.047 -2.350 465 2HG MET 60 1HG MET 60 -5.718 -11.565 -3.567 466 1HE MET 60 1HE MET 60 -2.550 -12.611 -1.483 467 2HE MET 60 2HE MET 60 -2.062 -12.932 -3.148 468 3HE MET 60 3HE MET 60 -2.312 -14.272 -2.030 469 H GLY 61 H GLY 61 -6.193 -8.676 -3.830 470 1HA GLY 61 2HA GLY 61 -8.328 -8.206 -4.560 471 2HA GLY 61 1HA GLY 61 -7.824 -8.659 -6.183 472 H HIS 62 H HIS 62 -8.046 -10.411 -3.092 473 HA HIS 62 HA HIS 62 -9.944 -12.280 -4.321 474 1HB HIS 62 2HB HIS 62 -7.484 -13.037 -4.575 475 2HB HIS 62 1HB HIS 62 -7.521 -13.298 -2.836 476 HD1 HIS 62 1HD HIS 62 -8.522 -15.463 -2.019 477 HD2 HIS 62 2HD HIS 62 -9.293 -14.724 -6.040 478 HE1 HIS 62 1HE HIS 62 -9.532 -17.583 -2.922 479 HE2 HIS 62 2HE HIS 62 -9.741 -17.189 -5.405 480 H GLY 63 H GLY 63 -9.892 -10.170 -2.157 481 1HA GLY 63 2HA GLY 63 -10.815 -11.888 0.047 482 2HA GLY 63 1HA GLY 63 -9.681 -10.586 0.366 483 H ARG 64 H ARG 64 -11.512 -10.131 1.882 484 HA ARG 64 HA ARG 64 -13.282 -8.152 0.657 485 1HB ARG 64 2HB ARG 64 -15.169 -8.995 2.129 486 2HB ARG 64 1HB ARG 64 -14.769 -10.006 0.749 487 1HG ARG 64 2HG ARG 64 -13.502 -10.603 3.379 488 2HG ARG 64 1HG ARG 64 -15.189 -11.048 3.114 489 1HD ARG 64 2HD ARG 64 -14.667 -12.547 1.431 490 2HD ARG 64 1HD ARG 64 -13.126 -11.769 1.080 491 HE ARG 64 HE ARG 64 -12.825 -12.724 3.615 492 1HH1 ARG 64 1HH1 ARG 64 -13.833 -14.186 0.599 493 2HH1 ARG 64 2HH1 ARG 64 -13.050 -15.703 0.923 494 1HH2 ARG 64 1HH2 ARG 64 -11.765 -14.692 4.031 495 2HH2 ARG 64 2HH2 ARG 64 -11.839 -15.982 2.863 496 H CYS 65 H CYS 65 -13.909 -6.506 2.086 497 HA CYS 65 HA CYS 65 -12.826 -6.603 4.807 498 1HB CYS 65 2HB CYS 65 -11.226 -5.397 3.219 499 2HB CYS 65 1HB CYS 65 -12.475 -4.170 3.045 500 HG CYS 65 HG CYS 65 -10.223 -4.560 5.435 501 H GLU 66 H GLU 66 -13.856 -4.956 6.213 502 HA GLU 66 HA GLU 66 -16.656 -5.050 5.717 503 1HB GLU 66 2HB GLU 66 -15.057 -3.848 7.966 504 2HB GLU 66 1HB GLU 66 -16.815 -3.819 7.911 505 1HG GLU 66 2HG GLU 66 -15.047 -6.251 7.989 506 2HG GLU 66 1HG GLU 66 -16.090 -5.653 9.278 507 H ASN 67 H ASN 67 -14.281 -2.395 5.703 508 HA ASN 67 HA ASN 67 -16.463 -0.702 4.680 509 1HB ASN 67 2HB ASN 67 -15.420 1.253 5.613 510 2HB ASN 67 1HB ASN 67 -15.578 0.059 6.894 511 1HD2 ASN 67 1HD2 ASN 67 -13.767 -0.798 7.822 512 2HD2 ASN 67 2HD2 ASN 67 -12.170 -0.209 7.501 513 H LEU 68 H LEU 68 -16.195 0.324 2.808 514 HA LEU 68 HA LEU 68 -14.010 -0.471 1.129 515 1HB LEU 68 2HB LEU 68 -16.349 1.368 0.703 516 2HB LEU 68 1HB LEU 68 -15.118 1.103 -0.514 517 HG LEU 68 HG LEU 68 -17.020 -0.948 0.616 518 1HD1 LEU 68 1HD1 LEU 68 -18.010 0.526 -1.027 519 2HD1 LEU 68 2HD1 LEU 68 -17.785 -1.084 -1.710 520 3HD1 LEU 68 3HD1 LEU 68 -16.676 0.220 -2.138 521 1HD2 LEU 68 1HD2 LEU 68 -15.981 -2.531 -0.940 522 2HD2 LEU 68 2HD2 LEU 68 -14.834 -1.972 0.277 523 3HD2 LEU 68 3HD2 LEU 68 -14.769 -1.318 -1.360 524 H GLY 69 H GLY 69 -14.491 2.090 3.290 525 1HA GLY 69 2HA GLY 69 -13.102 4.192 2.105 526 2HA GLY 69 1HA GLY 69 -13.181 3.898 3.835 527 H LEU 70 H LEU 70 -11.816 1.601 4.175 528 HA LEU 70 HA LEU 70 -9.102 2.354 3.857 529 1HB LEU 70 2HB LEU 70 -10.485 -0.177 4.716 530 2HB LEU 70 1HB LEU 70 -8.737 -0.108 4.558 531 HG LEU 70 HG LEU 70 -10.361 1.681 6.374 532 1HD1 LEU 70 1HD1 LEU 70 -9.488 0.322 8.197 533 2HD1 LEU 70 2HD1 LEU 70 -8.687 -0.738 7.037 534 3HD1 LEU 70 3HD1 LEU 70 -10.448 -0.662 7.091 535 1HD2 LEU 70 1HD2 LEU 70 -8.199 2.265 7.326 536 2HD2 LEU 70 2HD2 LEU 70 -8.260 2.668 5.610 537 3HD2 LEU 70 3HD2 LEU 70 -7.390 1.231 6.147 538 H ALA 71 H ALA 71 -11.259 0.252 2.086 539 HA ALA 71 HA ALA 71 -9.286 -0.994 0.476 540 1HB ALA 71 1HB ALA 71 -11.512 -1.950 0.872 541 2HB ALA 71 2HB ALA 71 -11.136 -1.815 -0.845 542 3HB ALA 71 3HB ALA 71 -12.225 -0.653 -0.089 543 H ALA 72 H ALA 72 -10.960 2.032 0.257 544 HA ALA 72 HA ALA 72 -10.857 2.499 -2.492 545 1HB ALA 72 1HB ALA 72 -10.672 4.550 -0.287 546 2HB ALA 72 2HB ALA 72 -12.168 3.861 -0.920 547 3HB ALA 72 3HB ALA 72 -11.143 4.851 -1.959 548 H MET 73 H MET 73 -8.467 3.302 0.027 549 HA MET 73 HA MET 73 -6.651 4.463 -1.851 550 1HB MET 73 2HB MET 73 -5.029 4.480 -0.012 551 2HB MET 73 1HB MET 73 -6.583 5.133 0.486 552 1HG MET 73 2HG MET 73 -7.123 3.010 1.565 553 2HG MET 73 1HG MET 73 -5.553 2.369 1.084 554 1HE MET 73 1HE MET 73 -4.984 1.724 3.603 555 2HE MET 73 2HE MET 73 -6.591 2.300 4.044 556 3HE MET 73 3HE MET 73 -5.182 2.846 4.951 557 H VAL 74 H VAL 74 -7.199 1.248 -0.638 558 HA VAL 74 HA VAL 74 -4.761 0.084 -1.492 559 HB VAL 74 HB VAL 74 -7.471 -1.233 -1.196 560 1HG1 VAL 74 1HG1 VAL 74 -4.705 -2.429 -1.312 561 2HG1 VAL 74 2HG1 VAL 74 -5.972 -2.593 -2.527 562 3HG1 VAL 74 3HG1 VAL 74 -6.181 -3.316 -0.932 563 1HG2 VAL 74 1HG2 VAL 74 -6.686 -1.916 1.023 564 2HG2 VAL 74 2HG2 VAL 74 -6.746 -0.159 0.877 565 3HG2 VAL 74 3HG2 VAL 74 -5.198 -0.999 0.779 566 H ASP 75 H ASP 75 -7.859 0.667 -3.053 567 HA ASP 75 HA ASP 75 -7.521 -0.698 -5.441 568 1HB ASP 75 2HB ASP 75 -9.630 0.362 -4.871 569 2HB ASP 75 1HB ASP 75 -8.885 1.957 -4.934 570 H LYS 76 H LYS 76 -6.374 2.511 -4.526 571 HA LYS 76 HA LYS 76 -5.273 3.243 -7.013 572 1HB LYS 76 2HB LYS 76 -4.240 4.072 -4.296 573 2HB LYS 76 1HB LYS 76 -4.051 4.940 -5.812 574 1HG LYS 76 2HG LYS 76 -6.485 5.313 -5.875 575 2HG LYS 76 1HG LYS 76 -6.626 4.500 -4.314 576 1HD LYS 76 2HD LYS 76 -5.059 6.196 -3.370 577 2HD LYS 76 1HD LYS 76 -5.130 7.048 -4.913 578 1HE LYS 76 2HE LYS 76 -7.416 6.513 -3.022 579 2HE LYS 76 1HE LYS 76 -6.665 8.069 -3.362 580 1HZ LYS 76 1HZ LYS 76 -8.272 6.417 -5.233 581 2HZ LYS 76 2HZ LYS 76 -7.421 7.807 -5.698 582 3HZ LYS 76 3HZ LYS 76 -8.692 7.923 -4.579 583 H ILE 77 H ILE 77 -3.994 1.483 -4.259 584 HA ILE 77 HA ILE 77 -1.328 1.230 -5.147 585 HB ILE 77 HB ILE 77 -2.930 -0.579 -3.329 586 1HG1 ILE 77 2HG1 ILE 77 -1.010 1.669 -2.673 587 2HG1 ILE 77 1HG1 ILE 77 -2.765 1.771 -2.565 588 1HG2 ILE 77 1HG2 ILE 77 -0.768 -1.369 -2.493 589 2HG2 ILE 77 2HG2 ILE 77 0.051 -0.398 -3.717 590 3HG2 ILE 77 3HG2 ILE 77 -0.986 -1.738 -4.204 591 1HD1 ILE 77 1HD1 ILE 77 -2.753 0.036 -0.845 592 2HD1 ILE 77 2HD1 ILE 77 -1.778 1.430 -0.380 593 3HD1 ILE 77 3HD1 ILE 77 -0.994 -0.046 -0.943 594 H VAL 78 H VAL 78 -4.139 -0.924 -5.425 595 HA VAL 78 HA VAL 78 -2.872 -2.985 -6.846 596 HB VAL 78 HB VAL 78 -5.780 -2.149 -6.956 597 1HG1 VAL 78 1HG1 VAL 78 -5.178 -3.618 -8.812 598 2HG1 VAL 78 2HG1 VAL 78 -6.216 -4.453 -7.656 599 3HG1 VAL 78 3HG1 VAL 78 -4.482 -4.779 -7.682 600 1HG2 VAL 78 1HG2 VAL 78 -4.377 -4.165 -5.197 601 2HG2 VAL 78 2HG2 VAL 78 -6.118 -3.892 -5.263 602 3HG2 VAL 78 3HG2 VAL 78 -5.048 -2.616 -4.682 603 H ALA 79 H ALA 79 -4.456 -0.025 -7.949 604 HA ALA 79 HA ALA 79 -4.515 -0.563 -10.690 605 1HB ALA 79 1HB ALA 79 -4.683 1.848 -11.003 606 2HB ALA 79 2HB ALA 79 -4.139 2.110 -9.344 607 3HB ALA 79 3HB ALA 79 -5.682 1.315 -9.652 608 H HIS 80 H HIS 80 -1.966 0.974 -8.740 609 HA HIS 80 HA HIS 80 -0.189 1.327 -10.949 610 1HB HIS 80 2HB HIS 80 -0.079 2.662 -8.835 611 2HB HIS 80 1HB HIS 80 0.509 1.226 -8.007 612 HD1 HIS 80 1HD HIS 80 2.989 1.012 -7.912 613 HD2 HIS 80 2HD HIS 80 1.757 3.437 -11.048 614 HE1 HIS 80 1HE HIS 80 5.098 1.934 -8.921 615 HE2 HIS 80 2HE HIS 80 4.332 3.301 -10.897 616 H ASN 81 H ASN 81 -0.685 -1.171 -8.541 617 HA ASN 81 HA ASN 81 1.639 -2.691 -9.043 618 1HB ASN 81 2HB ASN 81 0.237 -2.964 -7.029 619 2HB ASN 81 1HB ASN 81 -1.063 -3.609 -8.026 620 1HD2 ASN 81 1HD2 ASN 81 -1.118 -5.575 -6.999 621 2HD2 ASN 81 2HD2 ASN 81 0.142 -6.747 -7.146 622 H LEU 82 H LEU 82 -1.633 -2.865 -10.385 623 HA LEU 82 HA LEU 82 -1.318 -5.148 -11.958 624 1HB LEU 82 2HB LEU 82 -3.402 -3.683 -11.437 625 2HB LEU 82 1HB LEU 82 -2.923 -2.769 -12.849 626 HG LEU 82 HG LEU 82 -3.435 -5.733 -12.975 627 1HD1 LEU 82 1HD1 LEU 82 -5.448 -4.694 -12.111 628 2HD1 LEU 82 2HD1 LEU 82 -5.684 -5.188 -13.788 629 3HD1 LEU 82 3HD1 LEU 82 -5.402 -3.490 -13.400 630 1HD2 LEU 82 1HD2 LEU 82 -3.503 -3.575 -15.084 631 2HD2 LEU 82 2HD2 LEU 82 -3.805 -5.294 -15.340 632 3HD2 LEU 82 3HD2 LEU 82 -2.202 -4.743 -14.852 633 H SER 83 H SER 83 -0.361 -1.827 -12.501 634 HA SER 83 HA SER 83 0.228 -2.009 -15.245 635 1HB SER 83 2HB SER 83 -0.033 0.132 -14.088 636 2HB SER 83 1HB SER 83 1.406 -0.195 -13.126 637 HG SER 83 HG SER 83 2.268 0.941 -14.706 638 H LYS 84 H LYS 84 2.389 -2.341 -12.396 639 HA LYS 84 HA LYS 84 4.680 -2.838 -14.009 640 1HB LYS 84 2HB LYS 84 5.828 -3.427 -11.958 641 2HB LYS 84 1HB LYS 84 4.854 -1.990 -11.701 642 1HG LYS 84 2HG LYS 84 3.130 -3.395 -10.633 643 2HG LYS 84 1HG LYS 84 4.195 -4.789 -10.822 644 1HD LYS 84 2HD LYS 84 4.900 -2.282 -9.300 645 2HD LYS 84 1HD LYS 84 4.285 -3.761 -8.563 646 1HE LYS 84 2HE LYS 84 6.828 -3.561 -10.178 647 2HE LYS 84 1HE LYS 84 6.749 -3.533 -8.417 648 1HZ LYS 84 1HZ LYS 84 5.589 -5.763 -8.630 649 2HZ LYS 84 2HZ LYS 84 7.245 -5.731 -8.985 650 3HZ LYS 84 3HZ LYS 84 6.115 -5.780 -10.243 651 H VAL 85 H VAL 85 2.114 -4.830 -12.866 652 HA VAL 85 HA VAL 85 3.503 -7.321 -13.308 653 HB VAL 85 HB VAL 85 0.551 -6.758 -12.912 654 1HG1 VAL 85 1HG1 VAL 85 0.887 -8.854 -14.142 655 2HG1 VAL 85 2HG1 VAL 85 0.317 -9.170 -12.504 656 3HG1 VAL 85 3HG1 VAL 85 2.018 -9.407 -12.907 657 1HG2 VAL 85 1HG2 VAL 85 1.916 -6.208 -10.965 658 2HG2 VAL 85 2HG2 VAL 85 2.652 -7.811 -11.011 659 3HG2 VAL 85 3HG2 VAL 85 0.934 -7.638 -10.653 660 H ARG 86 H ARG 86 1.429 -5.169 -15.148 661 HA ARG 86 HA ARG 86 1.020 -7.057 -17.287 662 1HB ARG 86 2HB ARG 86 -0.459 -5.547 -18.162 663 2HB ARG 86 1HB ARG 86 -0.442 -4.973 -16.505 664 1HG ARG 86 2HG ARG 86 1.161 -3.240 -17.111 665 2HG ARG 86 1HG ARG 86 1.165 -3.822 -18.777 666 1HD ARG 86 2HD ARG 86 -1.375 -3.437 -18.697 667 2HD ARG 86 1HD ARG 86 -1.041 -2.478 -17.253 668 HE ARG 86 HE ARG 86 0.396 -1.863 -19.733 669 1HH1 ARG 86 1HH1 ARG 86 -1.954 -0.922 -17.291 670 2HH1 ARG 86 2HH1 ARG 86 -2.089 0.709 -17.886 671 1HH2 ARG 86 1HH2 ARG 86 0.223 0.251 -20.495 672 2HH2 ARG 86 2HH2 ARG 86 -0.842 1.379 -19.710 673 H LEU 87 H LEU 87 3.300 -4.557 -16.503 674 HA LEU 87 HA LEU 87 4.385 -4.205 -19.095 675 1HB LEU 87 2HB LEU 87 5.559 -3.728 -16.361 676 2HB LEU 87 1HB LEU 87 6.329 -3.247 -17.857 677 HG LEU 87 HG LEU 87 3.678 -2.232 -16.840 678 1HD1 LEU 87 1HD1 LEU 87 6.364 -0.882 -17.047 679 2HD1 LEU 87 2HD1 LEU 87 5.565 -1.384 -15.557 680 3HD1 LEU 87 3HD1 LEU 87 4.856 -0.113 -16.553 681 1HD2 LEU 87 1HD2 LEU 87 3.739 -2.335 -19.279 682 2HD2 LEU 87 2HD2 LEU 87 5.262 -1.446 -19.286 683 3HD2 LEU 87 3HD2 LEU 87 3.788 -0.666 -18.712 684 H GLU 88 H GLU 88 5.281 -6.230 -16.343 685 HA GLU 88 HA GLU 88 7.229 -7.662 -17.953 686 1HB GLU 88 2HB GLU 88 6.418 -7.806 -15.079 687 2HB GLU 88 1HB GLU 88 7.429 -9.043 -15.818 688 1HG GLU 88 2HG GLU 88 8.034 -6.110 -15.564 689 2HG GLU 88 1HG GLU 88 8.827 -7.450 -14.759 690 H HIS 89 H HIS 89 6.983 -10.245 -17.343 691 HA HIS 89 HA HIS 89 4.400 -10.877 -18.530 692 1HB HIS 89 2HB HIS 89 6.961 -12.431 -18.328 693 2HB HIS 89 1HB HIS 89 5.444 -13.200 -18.800 694 HD1 HIS 89 1HD HIS 89 4.183 -11.553 -20.782 695 HD2 HIS 89 2HD HIS 89 8.331 -11.699 -20.525 696 HE1 HIS 89 1HE HIS 89 5.031 -10.803 -23.033 697 HE2 HIS 89 2HE HIS 89 7.537 -10.705 -22.781 698 H HIS 90 H HIS 90 3.392 -10.358 -16.509 699 HA HIS 90 HA HIS 90 2.132 -10.955 -14.741 700 1HB HIS 90 2HB HIS 90 1.596 -12.632 -16.704 701 2HB HIS 90 1HB HIS 90 2.238 -13.815 -15.570 702 HD1 HIS 90 1HD HIS 90 -0.857 -12.371 -16.553 703 HD2 HIS 90 2HD HIS 90 0.809 -13.468 -12.902 704 HE1 HIS 90 1HE HIS 90 -2.789 -12.600 -14.964 705 HE2 HIS 90 2HE HIS 90 -1.779 -13.428 -12.815 706 H HIS 91 H HIS 91 3.709 -14.115 -14.817 707 HA HIS 91 HA HIS 91 4.726 -15.347 -13.224 708 1HB HIS 91 2HB HIS 91 5.424 -12.649 -12.075 709 2HB HIS 91 1HB HIS 91 5.894 -14.156 -11.295 710 HD1 HIS 91 1HD HIS 91 7.312 -15.824 -13.039 711 HD2 HIS 91 2HD HIS 91 7.291 -11.731 -13.794 712 HE1 HIS 91 1HE HIS 91 9.302 -15.395 -14.510 713 HE2 HIS 91 2HE HIS 91 9.399 -12.891 -14.758 714 H HIS 92 H HIS 92 4.493 -16.049 -10.923 715 HA HIS 92 HA HIS 92 3.118 -16.769 -9.263 716 1HB HIS 92 2HB HIS 92 1.846 -14.035 -9.585 717 2HB HIS 92 1HB HIS 92 1.443 -15.173 -8.306 718 HD1 HIS 92 1HD HIS 92 3.855 -12.537 -9.228 719 HD2 HIS 92 2HD HIS 92 3.573 -15.597 -6.415 720 HE1 HIS 92 1HE HIS 92 5.585 -12.020 -7.479 721 HE2 HIS 92 2HE HIS 92 5.342 -13.825 -5.739 722 H HIS 93 H HIS 93 2.455 -18.286 -10.943 723 HA HIS 93 HA HIS 93 -0.109 -17.670 -12.229 724 1HB HIS 93 2HB HIS 93 1.849 -18.469 -13.591 725 2HB HIS 93 1HB HIS 93 1.724 -20.016 -12.763 726 HD1 HIS 93 1HD HIS 93 0.857 -21.567 -14.497 727 HD2 HIS 93 2HD HIS 93 -1.197 -17.948 -14.460 728 HE1 HIS 93 1HE HIS 93 -1.024 -21.834 -16.149 729 HE2 HIS 93 2HE HIS 93 -2.149 -19.578 -16.235 730 H HIS 94 H HIS 94 1.129 -19.409 -9.597 731 HA HIS 94 HA HIS 94 -1.480 -20.660 -9.214 732 1HB HIS 94 2HB HIS 94 0.164 -22.331 -10.249 733 2HB HIS 94 1HB HIS 94 1.050 -22.241 -8.732 734 HD1 HIS 94 1HD HIS 94 -1.614 -24.072 -10.362 735 HD2 HIS 94 2HD HIS 94 -0.634 -23.069 -6.441 736 HE1 HIS 94 1HE HIS 94 -2.938 -25.640 -8.904 737 HE2 HIS 94 2HE HIS 94 -2.390 -24.966 -6.538 Start of MODEL 17 1 1H MET 1 1HT MET 1 -0.072 18.986 7.150 2 2H MET 1 2HT MET 1 -0.903 17.509 7.191 3 3H MET 1 3HT MET 1 -1.424 18.743 6.155 4 HA MET 1 HA MET 1 -0.234 16.972 4.990 5 1HB MET 1 2HB MET 1 -0.249 19.359 4.205 6 2HB MET 1 1HB MET 1 1.283 19.593 5.033 7 1HG MET 1 2HG MET 1 2.338 17.943 3.604 8 2HG MET 1 1HG MET 1 0.800 17.627 2.805 9 1HE MET 1 1HE MET 1 0.134 21.022 0.966 10 2HE MET 1 2HE MET 1 -0.425 20.570 2.577 11 3HE MET 1 3HE MET 1 -0.460 19.390 1.264 12 H TYR 2 H TYR 2 2.050 16.201 4.476 13 HA TYR 2 HA TYR 2 3.628 16.099 6.955 14 1HB TYR 2 2HB TYR 2 3.114 13.827 5.025 15 2HB TYR 2 1HB TYR 2 4.142 13.742 6.452 16 HD1 TYR 2 2HD TYR 2 3.083 14.054 8.721 17 HD2 TYR 2 1HD TYR 2 0.775 13.483 5.194 18 HE1 TYR 2 2HE TYR 2 1.143 13.449 10.095 19 HE2 TYR 2 1HE TYR 2 -1.179 12.881 6.565 20 HH TYR 2 HH TYR 2 -1.693 12.055 8.793 21 H THR 3 H THR 3 5.646 16.755 6.739 22 HA THR 3 HA THR 3 6.784 17.292 4.154 23 HB THR 3 HB THR 3 8.799 17.932 5.657 24 HG1 THR 3 1HG THR 3 8.205 18.298 7.843 25 1HG2 THR 3 1HG2 THR 3 7.772 20.088 6.210 26 2HG2 THR 3 2HG2 THR 3 6.173 19.406 5.907 27 3HG2 THR 3 3HG2 THR 3 7.332 19.567 4.586 28 H ALA 4 H ALA 4 9.313 16.695 4.123 29 HA ALA 4 HA ALA 4 9.408 13.987 3.485 30 1HB ALA 4 1HB ALA 4 10.938 15.667 2.568 31 2HB ALA 4 2HB ALA 4 11.801 14.272 3.213 32 3HB ALA 4 3HB ALA 4 11.744 15.779 4.131 33 H GLU 5 H GLU 5 10.663 15.635 6.378 34 HA GLU 5 HA GLU 5 11.664 13.305 7.618 35 1HB GLU 5 2HB GLU 5 10.695 15.838 8.944 36 2HB GLU 5 1HB GLU 5 11.781 14.646 9.632 37 1HG GLU 5 2HG GLU 5 13.327 16.134 8.965 38 2HG GLU 5 1HG GLU 5 13.182 15.240 7.457 39 H GLN 6 H GLN 6 8.574 14.980 7.781 40 HA GLN 6 HA GLN 6 7.551 13.451 9.939 41 1HB GLN 6 2HB GLN 6 6.828 15.773 9.233 42 2HB GLN 6 1HB GLN 6 5.932 15.004 7.931 43 1HG GLN 6 2HG GLN 6 4.446 13.974 9.397 44 2HG GLN 6 1HG GLN 6 5.504 14.216 10.789 45 1HE2 GLN 6 1HE2 GLN 6 5.623 16.254 11.735 46 2HE2 GLN 6 2HE2 GLN 6 4.427 17.469 11.457 47 H LYS 7 H LYS 7 7.209 13.210 6.412 48 HA LYS 7 HA LYS 7 5.362 11.054 6.488 49 1HB LYS 7 2HB LYS 7 5.792 10.748 4.130 50 2HB LYS 7 1HB LYS 7 5.632 12.458 4.486 51 1HG LYS 7 2HG LYS 7 7.403 12.476 3.060 52 2HG LYS 7 1HG LYS 7 8.248 12.363 4.601 53 1HD LYS 7 2HD LYS 7 8.354 9.898 4.295 54 2HD LYS 7 1HD LYS 7 7.639 10.104 2.695 55 1HE LYS 7 2HE LYS 7 10.194 11.432 3.575 56 2HE LYS 7 1HE LYS 7 10.139 9.885 2.734 57 1HZ LYS 7 1HZ LYS 7 9.203 10.920 0.829 58 2HZ LYS 7 2HZ LYS 7 10.546 11.845 1.290 59 3HZ LYS 7 3HZ LYS 7 8.980 12.394 1.643 60 H ALA 8 H ALA 8 8.831 11.273 6.620 61 HA ALA 8 HA ALA 8 9.497 8.591 6.162 62 1HB ALA 8 1HB ALA 8 11.568 9.063 7.347 63 2HB ALA 8 2HB ALA 8 10.874 10.546 8.002 64 3HB ALA 8 3HB ALA 8 11.153 10.395 6.267 65 H ARG 9 H ARG 9 8.351 10.230 9.074 66 HA ARG 9 HA ARG 9 8.799 8.137 10.902 67 1HB ARG 9 2HB ARG 9 6.467 10.055 10.969 68 2HB ARG 9 1HB ARG 9 7.192 9.215 12.331 69 1HG ARG 9 2HG ARG 9 9.249 10.529 12.022 70 2HG ARG 9 1HG ARG 9 8.469 11.399 10.697 71 1HD ARG 9 2HD ARG 9 7.758 11.418 13.618 72 2HD ARG 9 1HD ARG 9 8.231 12.778 12.600 73 HE ARG 9 HE ARG 9 5.929 11.767 11.475 74 1HH1 ARG 9 1HH1 ARG 9 6.863 13.172 14.536 75 2HH1 ARG 9 2HH1 ARG 9 5.266 13.747 14.911 76 1HH2 ARG 9 1HH2 ARG 9 3.812 12.501 11.969 77 2HH2 ARG 9 2HH2 ARG 9 3.534 13.357 13.454 78 H ILE 10 H ILE 10 6.334 8.712 8.523 79 HA ILE 10 HA ILE 10 4.529 6.684 9.406 80 HB ILE 10 HB ILE 10 4.763 7.956 6.669 81 1HG1 ILE 10 2HG1 ILE 10 2.967 8.700 8.990 82 2HG1 ILE 10 1HG1 ILE 10 4.401 9.598 8.503 83 1HG2 ILE 10 1HG2 ILE 10 2.432 7.254 6.383 84 2HG2 ILE 10 2HG2 ILE 10 2.479 6.462 7.959 85 3HG2 ILE 10 3HG2 ILE 10 3.496 5.871 6.645 86 1HD1 ILE 10 1HD1 ILE 10 2.398 10.673 7.683 87 2HD1 ILE 10 2HD1 ILE 10 1.912 9.190 6.859 88 3HD1 ILE 10 3HD1 ILE 10 3.355 10.057 6.335 89 H LYS 11 H LYS 11 7.066 6.888 6.918 90 HA LYS 11 HA LYS 11 6.612 4.281 5.922 91 1HB LYS 11 2HB LYS 11 8.553 4.548 4.588 92 2HB LYS 11 1HB LYS 11 7.777 6.115 4.667 93 1HG LYS 11 2HG LYS 11 9.904 6.783 4.975 94 2HG LYS 11 1HG LYS 11 9.528 6.411 6.658 95 1HD LYS 11 2HD LYS 11 10.605 4.289 6.508 96 2HD LYS 11 1HD LYS 11 10.765 4.427 4.755 97 1HE LYS 11 2HE LYS 11 12.288 6.313 5.039 98 2HE LYS 11 1HE LYS 11 12.111 6.200 6.789 99 1HZ LYS 11 1HZ LYS 11 14.148 5.151 5.998 100 2HZ LYS 11 2HZ LYS 11 13.246 4.074 5.044 101 3HZ LYS 11 3HZ LYS 11 13.121 4.021 6.737 102 H TRP 12 H TRP 12 8.716 5.537 8.464 103 HA TRP 12 HA TRP 12 10.066 3.165 9.109 104 1HB TRP 12 2HB TRP 12 9.226 5.553 10.729 105 2HB TRP 12 1HB TRP 12 9.916 4.154 11.529 106 HD1 TRP 12 HD TRP 12 10.968 6.409 8.521 107 HE1 TRP 12 1HE TRP 12 13.500 6.849 8.739 108 HE3 TRP 12 3HE TRP 12 11.877 3.673 12.728 109 HZ2 TRP 12 2HZ TRP 12 15.602 6.117 10.487 110 HZ3 TRP 12 3HZ TRP 12 14.176 3.594 13.620 111 HH2 TRP 12 HH TRP 12 15.996 4.793 12.517 112 H ALA 13 H ALA 13 6.825 4.285 9.918 113 HA ALA 13 HA ALA 13 6.357 2.233 11.865 114 1HB ALA 13 1HB ALA 13 4.416 4.134 10.556 115 2HB ALA 13 2HB ALA 13 5.296 4.427 12.055 116 3HB ALA 13 3HB ALA 13 4.095 3.138 11.977 117 H CYS 14 H CYS 14 5.452 2.772 8.484 118 HA CYS 14 HA CYS 14 3.570 0.669 8.374 119 1HB CYS 14 2HB CYS 14 3.678 0.924 5.944 120 2HB CYS 14 1HB CYS 14 3.559 2.483 6.748 121 HG CYS 14 HG CYS 14 6.709 2.079 6.455 122 H ARG 15 H ARG 15 7.040 0.696 8.058 123 HA ARG 15 HA ARG 15 7.008 -1.983 6.918 124 1HB ARG 15 2HB ARG 15 8.584 -0.283 6.013 125 2HB ARG 15 1HB ARG 15 9.404 -0.267 7.571 126 1HG ARG 15 2HG ARG 15 10.030 -2.570 7.326 127 2HG ARG 15 1HG ARG 15 9.081 -2.710 5.846 128 1HD ARG 15 2HD ARG 15 11.385 -2.469 5.257 129 2HD ARG 15 1HD ARG 15 10.532 -0.991 4.816 130 HE ARG 15 HE ARG 15 11.670 -0.759 7.410 131 1HH1 ARG 15 1HH1 ARG 15 12.423 -0.686 3.990 132 2HH1 ARG 15 2HH1 ARG 15 13.896 0.220 4.203 133 1HH2 ARG 15 1HH2 ARG 15 13.589 0.459 7.699 134 2HH2 ARG 15 2HH2 ARG 15 14.553 0.889 6.320 135 H ARG 16 H ARG 16 6.037 -2.891 8.783 136 HA ARG 16 HA ARG 16 8.087 -3.822 10.648 137 1HB ARG 16 2HB ARG 16 5.385 -2.714 11.385 138 2HB ARG 16 1HB ARG 16 6.195 -3.885 12.414 139 1HG ARG 16 2HG ARG 16 7.324 -1.210 11.608 140 2HG ARG 16 1HG ARG 16 6.556 -1.577 13.155 141 1HD ARG 16 2HD ARG 16 8.272 -3.280 13.589 142 2HD ARG 16 1HD ARG 16 9.043 -2.885 12.054 143 HE ARG 16 HE ARG 16 8.735 -0.739 14.020 144 1HH1 ARG 16 1HH1 ARG 16 10.805 -3.076 12.433 145 2HH1 ARG 16 2HH1 ARG 16 12.281 -2.274 12.887 146 1HH2 ARG 16 1HH2 ARG 16 10.681 0.291 14.671 147 2HH2 ARG 16 2HH2 ARG 16 12.205 -0.370 14.164 148 H GLY 17 H GLY 17 7.348 -5.874 11.746 149 1HA GLY 17 2HA GLY 17 6.137 -7.878 11.758 150 2HA GLY 17 1HA GLY 17 5.244 -7.328 10.346 151 H MET 18 H MET 18 6.839 -6.960 8.388 152 HA MET 18 HA MET 18 8.991 -8.859 8.243 153 1HB MET 18 2HB MET 18 8.024 -10.126 6.352 154 2HB MET 18 1HB MET 18 7.172 -10.385 7.865 155 1HG MET 18 2HG MET 18 5.454 -8.763 7.104 156 2HG MET 18 1HG MET 18 6.295 -8.665 5.558 157 1HE MET 18 1HE MET 18 3.162 -9.503 5.972 158 2HE MET 18 2HE MET 18 3.055 -10.788 4.767 159 3HE MET 18 3HE MET 18 3.940 -9.310 4.400 160 H LEU 19 H LEU 19 10.425 -8.405 6.662 161 HA LEU 19 HA LEU 19 10.354 -5.807 5.525 162 1HB LEU 19 2HB LEU 19 12.205 -8.146 5.144 163 2HB LEU 19 1HB LEU 19 12.466 -6.583 4.408 164 HG LEU 19 HG LEU 19 12.361 -7.119 7.376 165 1HD1 LEU 19 1HD1 LEU 19 14.757 -6.662 7.329 166 2HD1 LEU 19 2HD1 LEU 19 14.697 -6.492 5.576 167 3HD1 LEU 19 3HD1 LEU 19 14.356 -8.052 6.322 168 1HD2 LEU 19 1HD2 LEU 19 13.018 -4.597 5.855 169 2HD2 LEU 19 2HD2 LEU 19 13.126 -4.806 7.603 170 3HD2 LEU 19 3HD2 LEU 19 11.557 -4.884 6.801 171 H GLU 20 H GLU 20 9.332 -8.879 4.401 172 HA GLU 20 HA GLU 20 9.573 -8.583 1.641 173 1HB GLU 20 2HB GLU 20 7.535 -10.064 3.292 174 2HB GLU 20 1HB GLU 20 7.616 -10.178 1.538 175 1HG GLU 20 2HG GLU 20 9.806 -11.119 1.629 176 2HG GLU 20 1HG GLU 20 9.918 -10.820 3.362 177 H LEU 21 H LEU 21 7.427 -6.938 3.800 178 HA LEU 21 HA LEU 21 5.580 -6.213 1.688 179 1HB LEU 21 2HB LEU 21 5.772 -5.445 4.590 180 2HB LEU 21 1HB LEU 21 4.629 -4.681 3.501 181 HG LEU 21 HG LEU 21 4.717 -7.595 4.282 182 1HD1 LEU 21 1HD1 LEU 21 2.723 -5.395 4.791 183 2HD1 LEU 21 2HD1 LEU 21 3.730 -6.217 5.984 184 3HD1 LEU 21 3HD1 LEU 21 2.450 -7.101 5.152 185 1HD2 LEU 21 1HD2 LEU 21 4.129 -7.440 1.939 186 2HD2 LEU 21 2HD2 LEU 21 2.931 -6.195 2.295 187 3HD2 LEU 21 3HD2 LEU 21 2.699 -7.839 2.892 188 H ASP 22 H ASP 22 8.570 -5.084 2.806 189 HA ASP 22 HA ASP 22 8.357 -2.307 2.551 190 1HB ASP 22 2HB ASP 22 10.330 -3.245 3.525 191 2HB ASP 22 1HB ASP 22 10.674 -4.191 2.086 192 H VAL 23 H VAL 23 8.946 -4.797 0.145 193 HA VAL 23 HA VAL 23 9.633 -3.119 -2.006 194 HB VAL 23 HB VAL 23 8.356 -5.854 -2.162 195 1HG1 VAL 23 1HG1 VAL 23 10.120 -4.384 -4.118 196 2HG1 VAL 23 2HG1 VAL 23 8.390 -4.672 -4.297 197 3HG1 VAL 23 3HG1 VAL 23 9.514 -6.030 -4.306 198 1HG2 VAL 23 1HG2 VAL 23 11.263 -5.095 -1.926 199 2HG2 VAL 23 2HG2 VAL 23 10.657 -6.720 -2.244 200 3HG2 VAL 23 3HG2 VAL 23 10.295 -5.928 -0.710 201 H VAL 24 H VAL 24 6.517 -4.145 -0.750 202 HA VAL 24 HA VAL 24 5.199 -3.053 -3.135 203 HB VAL 24 HB VAL 24 3.165 -4.225 -2.359 204 1HG1 VAL 24 1HG1 VAL 24 3.950 -6.502 -2.866 205 2HG1 VAL 24 2HG1 VAL 24 5.616 -5.965 -2.648 206 3HG1 VAL 24 3HG1 VAL 24 4.641 -5.303 -3.960 207 1HG2 VAL 24 1HG2 VAL 24 3.613 -4.255 0.029 208 2HG2 VAL 24 2HG2 VAL 24 4.986 -5.333 -0.225 209 3HG2 VAL 24 3HG2 VAL 24 3.350 -5.894 -0.569 210 H ILE 25 H ILE 25 6.197 -1.818 -0.373 211 HA ILE 25 HA ILE 25 3.766 -0.194 -0.027 212 HB ILE 25 HB ILE 25 5.858 -0.910 2.029 213 1HG1 ILE 25 2HG1 ILE 25 4.158 -2.633 1.623 214 2HG1 ILE 25 1HG1 ILE 25 3.979 -1.926 3.225 215 1HG2 ILE 25 1HG2 ILE 25 3.528 0.984 2.301 216 2HG2 ILE 25 2HG2 ILE 25 5.235 1.430 2.285 217 3HG2 ILE 25 3HG2 ILE 25 4.590 0.460 3.609 218 1HD1 ILE 25 1HD1 ILE 25 1.822 -2.263 2.187 219 2HD1 ILE 25 2HD1 ILE 25 2.313 -1.290 0.801 220 3HD1 ILE 25 3HD1 ILE 25 2.139 -0.539 2.387 221 H MET 26 H MET 26 7.327 -0.071 0.192 222 HA MET 26 HA MET 26 7.534 2.629 0.778 223 1HB MET 26 2HB MET 26 9.372 1.056 1.042 224 2HB MET 26 1HB MET 26 9.508 0.892 -0.703 225 1HG MET 26 2HG MET 26 10.076 3.295 -0.841 226 2HG MET 26 1HG MET 26 10.043 3.368 0.921 227 1HE MET 26 1HE MET 26 13.870 3.591 0.137 228 2HE MET 26 2HE MET 26 12.518 4.325 1.001 229 3HE MET 26 3HE MET 26 12.539 4.320 -0.763 230 HA PRO 27 HA PRO 27 8.233 3.792 -3.804 231 1HB PRO 27 2HB PRO 27 7.600 2.058 -5.775 232 2HB PRO 27 1HB PRO 27 9.183 2.065 -4.991 233 1HG PRO 27 2HG PRO 27 6.835 0.272 -4.512 234 2HG PRO 27 1HG PRO 27 8.554 -0.146 -4.630 235 1HD PRO 27 2HD PRO 27 7.250 0.117 -2.259 236 2HD PRO 27 1HD PRO 27 8.980 0.467 -2.453 237 H PHE 28 H PHE 28 5.476 1.647 -3.302 238 HA PHE 28 HA PHE 28 3.738 3.056 -5.058 239 1HB PHE 28 2HB PHE 28 3.103 1.126 -2.819 240 2HB PHE 28 1HB PHE 28 1.936 1.721 -3.995 241 HD1 PHE 28 1HD PHE 28 4.188 1.648 -6.244 242 HD2 PHE 28 2HD PHE 28 2.591 -1.182 -3.496 243 HE1 PHE 28 1HE PHE 28 4.804 -0.180 -7.770 244 HE2 PHE 28 2HE PHE 28 3.209 -3.013 -5.015 245 HZ PHE 28 HZ PHE 28 4.321 -2.513 -7.155 246 H PHE 29 H PHE 29 4.425 3.206 -1.606 247 HA PHE 29 HA PHE 29 2.436 4.979 -0.791 248 1HB PHE 29 2HB PHE 29 3.855 3.928 0.846 249 2HB PHE 29 1HB PHE 29 5.294 4.659 0.146 250 HD1 PHE 29 2HD PHE 29 2.102 5.523 1.849 251 HD2 PHE 29 1HD PHE 29 6.111 6.666 0.988 252 HE1 PHE 29 2HE PHE 29 1.897 7.408 3.416 253 HE2 PHE 29 1HE PHE 29 5.913 8.556 2.556 254 HZ PHE 29 HZ PHE 29 3.805 8.928 3.770 255 H GLU 30 H GLU 30 5.559 5.601 -2.307 256 HA GLU 30 HA GLU 30 5.642 8.377 -2.101 257 1HB GLU 30 2HB GLU 30 6.614 6.765 -4.465 258 2HB GLU 30 1HB GLU 30 7.221 8.319 -3.921 259 1HG GLU 30 2HG GLU 30 7.827 7.129 -1.762 260 2HG GLU 30 1HG GLU 30 7.567 5.637 -2.656 261 H GLU 31 H GLU 31 4.158 6.308 -4.512 262 HA GLU 31 HA GLU 31 3.232 8.460 -6.155 263 1HB GLU 31 2HB GLU 31 2.469 5.541 -6.061 264 2HB GLU 31 1HB GLU 31 1.896 6.675 -7.278 265 1HG GLU 31 2HG GLU 31 4.231 7.065 -7.964 266 2HG GLU 31 1HG GLU 31 4.751 5.852 -6.794 267 H CYS 32 H CYS 32 1.627 6.234 -3.881 268 HA CYS 32 HA CYS 32 -0.956 7.252 -4.253 269 1HB CYS 32 2HB CYS 32 0.234 5.867 -1.841 270 2HB CYS 32 1HB CYS 32 -1.488 6.130 -2.104 271 HG CYS 32 HG CYS 32 -0.562 4.708 -4.805 272 H PHE 33 H PHE 33 1.488 8.070 -1.799 273 HA PHE 33 HA PHE 33 -0.076 9.855 -0.318 274 1HB PHE 33 2HB PHE 33 2.040 8.994 0.520 275 2HB PHE 33 1HB PHE 33 2.917 9.807 -0.768 276 HD1 PHE 33 2HD PHE 33 0.858 10.399 2.251 277 HD2 PHE 33 1HD PHE 33 3.666 12.018 -0.506 278 HE1 PHE 33 2HE PHE 33 1.149 12.360 3.706 279 HE2 PHE 33 1HE PHE 33 3.963 13.983 0.947 280 HZ PHE 33 HZ PHE 33 2.703 14.155 3.053 281 H ASP 34 H ASP 34 1.764 10.302 -3.251 282 HA ASP 34 HA ASP 34 1.775 13.127 -3.316 283 1HB ASP 34 2HB ASP 34 3.291 11.799 -4.688 284 2HB ASP 34 1HB ASP 34 1.930 11.103 -5.560 285 H SER 35 H SER 35 -0.667 10.772 -4.093 286 HA SER 35 HA SER 35 -2.212 12.817 -5.545 287 1HB SER 35 2HB SER 35 -2.545 9.817 -5.688 288 2HB SER 35 1HB SER 35 -3.299 11.026 -6.730 289 HG SER 35 HG SER 35 -0.714 11.473 -6.847 290 H LEU 36 H LEU 36 -2.284 10.703 -2.779 291 HA LEU 36 HA LEU 36 -5.161 10.742 -2.534 292 1HB LEU 36 2HB LEU 36 -3.066 9.812 -0.569 293 2HB LEU 36 1HB LEU 36 -4.793 9.566 -0.404 294 HG LEU 36 HG LEU 36 -2.977 8.352 -2.477 295 1HD1 LEU 36 1HD1 LEU 36 -4.620 7.125 -0.271 296 2HD1 LEU 36 2HD1 LEU 36 -2.867 7.314 -0.276 297 3HD1 LEU 36 3HD1 LEU 36 -3.642 6.246 -1.446 298 1HD2 LEU 36 1HD2 LEU 36 -5.968 8.077 -2.197 299 2HD2 LEU 36 2HD2 LEU 36 -4.944 7.200 -3.335 300 3HD2 LEU 36 3HD2 LEU 36 -5.134 8.948 -3.481 301 H THR 37 H THR 37 -6.189 11.430 -0.498 302 HA THR 37 HA THR 37 -5.128 14.040 0.328 303 HB THR 37 HB THR 37 -7.460 14.416 1.203 304 HG1 THR 37 1HG THR 37 -7.925 11.964 -0.206 305 1HG2 THR 37 1HG2 THR 37 -8.453 14.787 -1.025 306 2HG2 THR 37 2HG2 THR 37 -7.168 13.815 -1.743 307 3HG2 THR 37 3HG2 THR 37 -6.779 15.336 -0.943 308 H GLU 38 H GLU 38 -5.535 14.660 2.633 309 HA GLU 38 HA GLU 38 -4.199 12.877 4.332 310 1HB GLU 38 2HB GLU 38 -5.893 15.284 5.007 311 2HB GLU 38 1HB GLU 38 -4.810 14.477 6.129 312 1HG GLU 38 2HG GLU 38 -2.940 14.983 4.629 313 2HG GLU 38 1HG GLU 38 -4.043 15.857 3.574 314 H SER 39 H SER 39 -7.638 13.540 3.955 315 HA SER 39 HA SER 39 -8.658 12.049 6.056 316 1HB SER 39 2HB SER 39 -9.854 12.254 3.281 317 2HB SER 39 1HB SER 39 -10.710 11.981 4.795 318 HG SER 39 HG SER 39 -10.937 14.098 4.586 319 H GLU 40 H GLU 40 -7.758 10.997 2.795 320 HA GLU 40 HA GLU 40 -8.418 8.252 3.218 321 1HB GLU 40 2HB GLU 40 -6.536 9.497 1.200 322 2HB GLU 40 1HB GLU 40 -7.206 7.873 1.122 323 1HG GLU 40 2HG GLU 40 -9.418 8.737 0.812 324 2HG GLU 40 1HG GLU 40 -8.853 10.387 1.077 325 H GLN 41 H GLN 41 -5.555 10.230 3.605 326 HA GLN 41 HA GLN 41 -3.708 8.151 4.046 327 1HB GLN 41 2HB GLN 41 -3.739 11.054 4.832 328 2HB GLN 41 1HB GLN 41 -2.403 9.992 5.254 329 1HG GLN 41 2HG GLN 41 -3.363 10.678 2.486 330 2HG GLN 41 1HG GLN 41 -1.865 11.201 3.255 331 1HE2 GLN 41 1HE2 GLN 41 -0.190 9.719 3.525 332 2HE2 GLN 41 2HE2 GLN 41 -0.124 8.244 2.630 333 H ASP 42 H ASP 42 -5.959 9.799 6.184 334 HA ASP 42 HA ASP 42 -5.015 8.820 8.642 335 1HB ASP 42 2HB ASP 42 -6.774 10.543 8.469 336 2HB ASP 42 1HB ASP 42 -7.878 9.355 7.788 337 H ASP 43 H ASP 43 -7.341 7.451 6.346 338 HA ASP 43 HA ASP 43 -7.734 5.004 7.719 339 1HB ASP 43 2HB ASP 43 -8.108 5.823 4.840 340 2HB ASP 43 1HB ASP 43 -8.438 4.188 5.393 341 H PHE 44 H PHE 44 -5.490 6.014 5.199 342 HA PHE 44 HA PHE 44 -4.350 3.502 4.652 343 1HB PHE 44 2HB PHE 44 -4.129 5.515 3.217 344 2HB PHE 44 1HB PHE 44 -3.067 6.236 4.419 345 HD1 PHE 44 2HD PHE 44 -3.394 3.243 2.238 346 HD2 PHE 44 1HD PHE 44 -0.782 5.919 4.267 347 HE1 PHE 44 2HE PHE 44 -1.462 2.177 1.150 348 HE2 PHE 44 1HE PHE 44 1.153 4.861 3.181 349 HZ PHE 44 HZ PHE 44 0.817 2.989 1.617 350 H VAL 45 H VAL 45 -3.305 6.063 6.906 351 HA VAL 45 HA VAL 45 -1.031 4.676 7.861 352 HB VAL 45 HB VAL 45 -2.667 6.842 9.200 353 1HG1 VAL 45 1HG1 VAL 45 -1.418 5.560 10.859 354 2HG1 VAL 45 2HG1 VAL 45 -0.724 7.169 10.653 355 3HG1 VAL 45 3HG1 VAL 45 0.058 5.770 9.917 356 1HG2 VAL 45 1HG2 VAL 45 -0.827 8.306 8.486 357 2HG2 VAL 45 2HG2 VAL 45 -1.632 7.546 7.113 358 3HG2 VAL 45 3HG2 VAL 45 -0.073 6.939 7.665 359 H ALA 46 H ALA 46 -4.407 4.798 8.920 360 HA ALA 46 HA ALA 46 -4.208 3.250 11.234 361 1HB ALA 46 1HB ALA 46 -6.565 2.680 10.872 362 2HB ALA 46 2HB ALA 46 -6.456 3.278 9.217 363 3HB ALA 46 3HB ALA 46 -6.264 4.390 10.571 364 H LEU 47 H LEU 47 -4.399 2.280 7.855 365 HA LEU 47 HA LEU 47 -4.554 -0.509 8.269 366 1HB LEU 47 2HB LEU 47 -3.524 1.133 5.962 367 2HB LEU 47 1HB LEU 47 -3.652 -0.612 5.912 368 HG LEU 47 HG LEU 47 -5.980 1.263 6.326 369 1HD1 LEU 47 1HD1 LEU 47 -6.593 0.640 4.021 370 2HD1 LEU 47 2HD1 LEU 47 -5.060 -0.219 3.863 371 3HD1 LEU 47 3HD1 LEU 47 -5.073 1.529 4.096 372 1HD2 LEU 47 1HD2 LEU 47 -5.874 -1.707 5.799 373 2HD2 LEU 47 2HD2 LEU 47 -7.337 -0.727 5.933 374 3HD2 LEU 47 3HD2 LEU 47 -6.288 -0.942 7.334 375 H LEU 48 H LEU 48 -1.834 1.703 7.848 376 HA LEU 48 HA LEU 48 0.180 -0.279 7.664 377 1HB LEU 48 2HB LEU 48 0.460 2.578 8.591 378 2HB LEU 48 1HB LEU 48 1.744 1.548 7.989 379 HG LEU 48 HG LEU 48 -0.598 2.556 6.375 380 1HD1 LEU 48 1HD1 LEU 48 1.117 3.884 5.205 381 2HD1 LEU 48 2HD1 LEU 48 2.306 3.354 6.395 382 3HD1 LEU 48 3HD1 LEU 48 0.934 4.341 6.897 383 1HD2 LEU 48 1HD2 LEU 48 1.812 0.944 5.545 384 2HD2 LEU 48 2HD2 LEU 48 0.607 1.626 4.452 385 3HD2 LEU 48 3HD2 LEU 48 0.144 0.373 5.605 386 H GLU 49 H GLU 49 -1.347 1.317 10.351 387 HA GLU 49 HA GLU 49 0.592 0.452 12.297 388 1HB GLU 49 2HB GLU 49 -2.106 1.780 12.492 389 2HB GLU 49 1HB GLU 49 -1.185 1.308 13.915 390 1HG GLU 49 2HG GLU 49 0.069 3.026 11.817 391 2HG GLU 49 1HG GLU 49 -1.017 3.732 13.012 392 H SER 50 H SER 50 -1.957 -1.030 10.694 393 HA SER 50 HA SER 50 -2.700 -2.746 12.940 394 1HB SER 50 2HB SER 50 -3.873 -2.524 10.159 395 2HB SER 50 1HB SER 50 -4.509 -3.528 11.462 396 HG SER 50 HG SER 50 -4.453 -0.711 11.240 397 H ASP 51 H ASP 51 -3.155 -5.093 12.257 398 HA ASP 51 HA ASP 51 -0.766 -6.267 11.153 399 1HB ASP 51 2HB ASP 51 -1.906 -7.264 13.093 400 2HB ASP 51 1HB ASP 51 -3.354 -7.507 12.128 401 H ASP 52 H ASP 52 -0.972 -7.959 9.354 402 HA ASP 52 HA ASP 52 -2.712 -6.738 7.302 403 1HB ASP 52 2HB ASP 52 -0.897 -7.221 5.683 404 2HB ASP 52 1HB ASP 52 -0.393 -6.126 6.967 405 HA PRO 53 HA PRO 53 -3.368 -11.364 6.833 406 1HB PRO 53 2HB PRO 53 -5.857 -11.464 8.201 407 2HB PRO 53 1HB PRO 53 -4.335 -12.197 8.707 408 1HG PRO 53 2HG PRO 53 -5.651 -10.099 9.989 409 2HG PRO 53 1HG PRO 53 -3.971 -10.591 10.255 410 1HD PRO 53 2HD PRO 53 -5.059 -8.342 8.632 411 2HD PRO 53 1HD PRO 53 -3.537 -8.448 9.541 412 H ASP 54 H ASP 54 -6.150 -9.199 7.325 413 HA ASP 54 HA ASP 54 -7.609 -9.999 5.064 414 1HB ASP 54 2HB ASP 54 -7.652 -7.277 6.399 415 2HB ASP 54 1HB ASP 54 -8.921 -7.972 5.399 416 H LEU 55 H LEU 55 -5.125 -7.576 5.557 417 HA LEU 55 HA LEU 55 -5.378 -6.212 3.113 418 1HB LEU 55 2HB LEU 55 -4.089 -5.538 5.215 419 2HB LEU 55 1HB LEU 55 -2.816 -6.601 4.656 420 HG LEU 55 HG LEU 55 -3.818 -4.302 2.981 421 1HD1 LEU 55 1HD1 LEU 55 -1.580 -4.282 5.005 422 2HD1 LEU 55 2HD1 LEU 55 -3.098 -3.389 5.112 423 3HD1 LEU 55 3HD1 LEU 55 -1.932 -2.998 3.847 424 1HD2 LEU 55 1HD2 LEU 55 -1.617 -4.482 1.931 425 2HD2 LEU 55 2HD2 LEU 55 -2.503 -6.002 1.815 426 3HD2 LEU 55 3HD2 LEU 55 -1.210 -5.825 3.000 427 H PHE 56 H PHE 56 -3.167 -8.844 4.100 428 HA PHE 56 HA PHE 56 -1.968 -9.224 1.596 429 1HB PHE 56 2HB PHE 56 -1.337 -10.184 3.921 430 2HB PHE 56 1HB PHE 56 -2.464 -11.476 3.529 431 HD1 PHE 56 2HD PHE 56 0.738 -9.922 2.692 432 HD2 PHE 56 1HD PHE 56 -1.941 -13.114 1.844 433 HE1 PHE 56 2HE PHE 56 2.521 -11.079 1.453 434 HE2 PHE 56 1HE PHE 56 -0.165 -14.280 0.602 435 HZ PHE 56 HZ PHE 56 2.071 -13.260 0.403 436 H ALA 57 H ALA 57 -4.960 -10.457 2.948 437 HA ALA 57 HA ALA 57 -5.500 -12.426 0.990 438 1HB ALA 57 1HB ALA 57 -6.619 -12.388 3.165 439 2HB ALA 57 2HB ALA 57 -7.786 -12.384 1.842 440 3HB ALA 57 3HB ALA 57 -7.439 -10.892 2.717 441 H TRP 58 H TRP 58 -6.114 -8.961 1.106 442 HA TRP 58 HA TRP 58 -7.786 -9.019 -1.227 443 1HB TRP 58 2HB TRP 58 -6.728 -6.879 0.542 444 2HB TRP 58 1HB TRP 58 -7.263 -6.432 -1.078 445 HD1 TRP 58 HD TRP 58 -8.644 -8.286 2.014 446 HE1 TRP 58 1HE TRP 58 -11.180 -7.878 2.121 447 HE3 TRP 58 3HE TRP 58 -9.213 -5.620 -2.311 448 HZ2 TRP 58 2HZ TRP 58 -13.162 -6.593 0.568 449 HZ3 TRP 58 3HZ TRP 58 -11.465 -4.843 -2.931 450 HH2 TRP 58 HH TRP 58 -13.397 -5.322 -1.519 451 H VAL 59 H VAL 59 -4.384 -8.555 -0.585 452 HA VAL 59 HA VAL 59 -3.600 -7.596 -3.103 453 HB VAL 59 HB VAL 59 -2.082 -9.481 -1.282 454 1HG1 VAL 59 1HG1 VAL 59 -1.143 -9.481 -3.517 455 2HG1 VAL 59 2HG1 VAL 59 -0.074 -8.623 -2.410 456 3HG1 VAL 59 3HG1 VAL 59 -1.099 -7.718 -3.523 457 1HG2 VAL 59 1HG2 VAL 59 -2.684 -7.442 -0.121 458 2HG2 VAL 59 2HG2 VAL 59 -2.059 -6.468 -1.451 459 3HG2 VAL 59 3HG2 VAL 59 -0.957 -7.440 -0.476 460 H MET 60 H MET 60 -4.219 -10.868 -1.918 461 HA MET 60 HA MET 60 -3.698 -12.052 -4.507 462 1HB MET 60 2HB MET 60 -4.922 -13.245 -2.006 463 2HB MET 60 1HB MET 60 -4.466 -14.149 -3.443 464 1HG MET 60 2HG MET 60 -2.579 -12.605 -1.676 465 2HG MET 60 1HG MET 60 -2.813 -14.352 -1.657 466 1HE MET 60 1HE MET 60 -0.170 -14.658 -1.940 467 2HE MET 60 2HE MET 60 0.031 -12.908 -1.985 468 3HE MET 60 3HE MET 60 0.762 -13.910 -3.237 469 H GLY 61 H GLY 61 -6.350 -10.693 -2.799 470 1HA GLY 61 2HA GLY 61 -8.395 -10.034 -3.662 471 2HA GLY 61 1HA GLY 61 -8.011 -10.889 -5.150 472 H HIS 62 H HIS 62 -8.286 -11.983 -1.768 473 HA HIS 62 HA HIS 62 -10.547 -13.679 -2.553 474 1HB HIS 62 2HB HIS 62 -8.316 -14.907 -2.804 475 2HB HIS 62 1HB HIS 62 -8.185 -14.816 -1.052 476 HD1 HIS 62 1HD HIS 62 -9.166 -16.725 0.189 477 HD2 HIS 62 2HD HIS 62 -10.763 -16.360 -3.636 478 HE1 HIS 62 1HE HIS 62 -10.666 -18.722 -0.115 479 HE2 HIS 62 2HE HIS 62 -11.523 -18.550 -2.485 480 H GLY 63 H GLY 63 -10.196 -11.282 -0.856 481 1HA GLY 63 2HA GLY 63 -11.114 -12.440 1.701 482 2HA GLY 63 1HA GLY 63 -9.995 -11.086 1.662 483 H ARG 64 H ARG 64 -12.020 -10.498 3.106 484 HA ARG 64 HA ARG 64 -13.761 -8.843 1.395 485 1HB ARG 64 2HB ARG 64 -14.507 -10.418 3.859 486 2HB ARG 64 1HB ARG 64 -15.502 -9.118 3.224 487 1HG ARG 64 2HG ARG 64 -15.795 -10.336 1.141 488 2HG ARG 64 1HG ARG 64 -14.755 -11.630 1.744 489 1HD ARG 64 2HD ARG 64 -17.180 -12.125 1.956 490 2HD ARG 64 1HD ARG 64 -16.313 -12.148 3.493 491 HE ARG 64 HE ARG 64 -17.344 -9.578 3.152 492 1HH1 ARG 64 1HH1 ARG 64 -18.564 -12.834 3.594 493 2HH1 ARG 64 2HH1 ARG 64 -20.023 -12.315 4.381 494 1HH2 ARG 64 1HH2 ARG 64 -19.212 -8.892 4.198 495 2HH2 ARG 64 2HH2 ARG 64 -20.385 -10.056 4.745 496 H CYS 65 H CYS 65 -14.614 -6.926 2.517 497 HA CYS 65 HA CYS 65 -13.262 -6.167 4.986 498 1HB CYS 65 2HB CYS 65 -13.101 -4.633 2.398 499 2HB CYS 65 1HB CYS 65 -12.929 -3.830 3.953 500 HG CYS 65 HG CYS 65 -10.951 -6.448 3.875 501 H GLU 66 H GLU 66 -14.549 -5.015 6.326 502 HA GLU 66 HA GLU 66 -17.318 -4.853 5.714 503 1HB GLU 66 2HB GLU 66 -15.782 -3.717 8.055 504 2HB GLU 66 1HB GLU 66 -17.533 -3.820 7.946 505 1HG GLU 66 2HG GLU 66 -15.586 -6.113 8.043 506 2HG GLU 66 1HG GLU 66 -16.714 -5.619 9.305 507 H ASN 67 H ASN 67 -14.682 -2.516 5.813 508 HA ASN 67 HA ASN 67 -16.514 -0.592 4.560 509 1HB ASN 67 2HB ASN 67 -15.065 1.229 5.467 510 2HB ASN 67 1HB ASN 67 -15.906 0.313 6.709 511 1HD2 ASN 67 1HD2 ASN 67 -13.479 1.965 6.805 512 2HD2 ASN 67 2HD2 ASN 67 -12.262 0.937 7.485 513 H LEU 68 H LEU 68 -16.098 -0.354 2.501 514 HA LEU 68 HA LEU 68 -13.776 -1.467 1.296 515 1HB LEU 68 2HB LEU 68 -15.993 0.249 0.198 516 2HB LEU 68 1HB LEU 68 -14.724 -0.441 -0.789 517 HG LEU 68 HG LEU 68 -16.768 -1.990 0.807 518 1HD1 LEU 68 1HD1 LEU 68 -16.419 -1.630 -2.166 519 2HD1 LEU 68 2HD1 LEU 68 -17.708 -0.944 -1.178 520 3HD1 LEU 68 3HD1 LEU 68 -17.593 -2.691 -1.389 521 1HD2 LEU 68 1HD2 LEU 68 -14.669 -3.182 0.765 522 2HD2 LEU 68 2HD2 LEU 68 -14.534 -2.940 -0.978 523 3HD2 LEU 68 3HD2 LEU 68 -15.816 -3.962 -0.325 524 H GLY 69 H GLY 69 -14.435 1.581 2.644 525 1HA GLY 69 2HA GLY 69 -12.812 3.293 1.168 526 2HA GLY 69 1HA GLY 69 -13.115 3.439 2.894 527 H LEU 70 H LEU 70 -11.939 0.938 3.647 528 HA LEU 70 HA LEU 70 -9.188 1.666 3.761 529 1HB LEU 70 2HB LEU 70 -10.688 -0.822 4.570 530 2HB LEU 70 1HB LEU 70 -8.952 -0.657 4.780 531 HG LEU 70 HG LEU 70 -11.095 1.019 6.093 532 1HD1 LEU 70 1HD1 LEU 70 -10.856 -1.206 7.045 533 2HD1 LEU 70 2HD1 LEU 70 -10.241 0.020 8.154 534 3HD1 LEU 70 3HD1 LEU 70 -9.117 -0.961 7.214 535 1HD2 LEU 70 1HD2 LEU 70 -8.095 1.208 6.340 536 2HD2 LEU 70 2HD2 LEU 70 -9.270 2.107 7.297 537 3HD2 LEU 70 3HD2 LEU 70 -9.147 2.390 5.561 538 H ALA 71 H ALA 71 -11.054 -0.643 1.912 539 HA ALA 71 HA ALA 71 -8.850 -2.036 0.802 540 1HB ALA 71 1HB ALA 71 -10.481 -3.050 -0.690 541 2HB ALA 71 2HB ALA 71 -11.680 -1.846 -0.217 542 3HB ALA 71 3HB ALA 71 -11.090 -3.013 0.965 543 H ALA 72 H ALA 72 -10.439 0.912 0.004 544 HA ALA 72 HA ALA 72 -9.953 1.140 -2.721 545 1HB ALA 72 1HB ALA 72 -10.131 3.552 -2.407 546 2HB ALA 72 2HB ALA 72 -9.934 3.345 -0.666 547 3HB ALA 72 3HB ALA 72 -11.361 2.697 -1.475 548 H MET 73 H MET 73 -7.819 1.976 0.005 549 HA MET 73 HA MET 73 -5.730 2.921 -1.697 550 1HB MET 73 2HB MET 73 -5.792 2.152 1.215 551 2HB MET 73 1HB MET 73 -4.302 2.624 0.411 552 1HG MET 73 2HG MET 73 -5.092 4.555 1.465 553 2HG MET 73 1HG MET 73 -5.466 4.764 -0.243 554 1HE MET 73 1HE MET 73 -8.508 3.757 3.067 555 2HE MET 73 2HE MET 73 -6.808 4.142 3.342 556 3HE MET 73 3HE MET 73 -7.252 2.636 2.541 557 H VAL 74 H VAL 74 -6.496 -0.174 -0.222 558 HA VAL 74 HA VAL 74 -4.091 -1.510 -0.839 559 HB VAL 74 HB VAL 74 -6.866 -2.707 -0.649 560 1HG1 VAL 74 1HG1 VAL 74 -5.267 -4.222 -1.674 561 2HG1 VAL 74 2HG1 VAL 74 -5.692 -4.779 -0.056 562 3HG1 VAL 74 3HG1 VAL 74 -4.147 -3.976 -0.334 563 1HG2 VAL 74 1HG2 VAL 74 -6.360 -3.138 1.695 564 2HG2 VAL 74 2HG2 VAL 74 -6.288 -1.409 1.352 565 3HG2 VAL 74 3HG2 VAL 74 -4.797 -2.337 1.517 566 H ASP 75 H ASP 75 -7.063 -0.962 -2.628 567 HA ASP 75 HA ASP 75 -6.677 -2.557 -4.859 568 1HB ASP 75 2HB ASP 75 -8.756 -1.362 -4.492 569 2HB ASP 75 1HB ASP 75 -7.938 0.188 -4.641 570 H LYS 76 H LYS 76 -5.494 0.717 -4.231 571 HA LYS 76 HA LYS 76 -4.343 1.102 -6.783 572 1HB LYS 76 2HB LYS 76 -3.504 2.463 -4.221 573 2HB LYS 76 1HB LYS 76 -3.332 3.072 -5.863 574 1HG LYS 76 2HG LYS 76 -5.858 2.730 -4.276 575 2HG LYS 76 1HG LYS 76 -5.154 4.221 -4.905 576 1HD LYS 76 2HD LYS 76 -5.672 3.628 -7.142 577 2HD LYS 76 1HD LYS 76 -6.065 1.970 -6.684 578 1HE LYS 76 2HE LYS 76 -7.923 2.954 -5.272 579 2HE LYS 76 1HE LYS 76 -7.613 4.480 -6.100 580 1HZ LYS 76 1HZ LYS 76 -9.391 3.266 -7.171 581 2HZ LYS 76 2HZ LYS 76 -8.383 1.915 -7.395 582 3HZ LYS 76 3HZ LYS 76 -8.056 3.370 -8.210 583 H ILE 77 H ILE 77 -3.121 -0.208 -3.771 584 HA ILE 77 HA ILE 77 -0.409 -0.410 -4.527 585 HB ILE 77 HB ILE 77 -1.979 -2.134 -2.601 586 1HG1 ILE 77 2HG1 ILE 77 -0.220 0.278 -2.097 587 2HG1 ILE 77 1HG1 ILE 77 -1.979 0.279 -2.051 588 1HG2 ILE 77 1HG2 ILE 77 0.219 -2.673 -1.623 589 2HG2 ILE 77 2HG2 ILE 77 1.002 -1.794 -2.937 590 3HG2 ILE 77 3HG2 ILE 77 0.064 -3.248 -3.283 591 1HD1 ILE 77 1HD1 ILE 77 -0.170 -1.279 -0.219 592 2HD1 ILE 77 2HD1 ILE 77 -1.935 -1.273 -0.174 593 3HD1 ILE 77 3HD1 ILE 77 -1.039 0.204 0.179 594 H VAL 78 H VAL 78 -3.081 -2.761 -4.617 595 HA VAL 78 HA VAL 78 -1.632 -4.868 -5.795 596 HB VAL 78 HB VAL 78 -4.600 -4.316 -5.944 597 1HG1 VAL 78 1HG1 VAL 78 -3.080 -6.883 -6.399 598 2HG1 VAL 78 2HG1 VAL 78 -3.894 -5.929 -7.637 599 3HG1 VAL 78 3HG1 VAL 78 -4.835 -6.715 -6.370 600 1HG2 VAL 78 1HG2 VAL 78 -3.836 -4.442 -3.655 601 2HG2 VAL 78 2HG2 VAL 78 -2.975 -5.943 -3.995 602 3HG2 VAL 78 3HG2 VAL 78 -4.736 -5.904 -4.059 603 H ALA 79 H ALA 79 -3.612 -2.291 -7.234 604 HA ALA 79 HA ALA 79 -3.505 -3.144 -9.899 605 1HB ALA 79 1HB ALA 79 -3.642 -0.326 -8.829 606 2HB ALA 79 2HB ALA 79 -5.015 -1.385 -9.162 607 3HB ALA 79 3HB ALA 79 -4.000 -0.812 -10.485 608 H HIS 80 H HIS 80 -1.207 -1.256 -7.998 609 HA HIS 80 HA HIS 80 0.535 -0.658 -10.167 610 1HB HIS 80 2HB HIS 80 0.642 -0.429 -7.206 611 2HB HIS 80 1HB HIS 80 2.167 -0.401 -8.081 612 HD1 HIS 80 1HD HIS 80 -0.925 1.593 -7.483 613 HD2 HIS 80 2HD HIS 80 2.587 1.865 -9.685 614 HE1 HIS 80 1HE HIS 80 -0.783 3.987 -8.238 615 HE2 HIS 80 2HE HIS 80 1.489 4.175 -9.321 616 H ASN 81 H ASN 81 0.391 -3.230 -7.771 617 HA ASN 81 HA ASN 81 2.852 -4.430 -8.493 618 1HB ASN 81 2HB ASN 81 1.739 -4.898 -6.348 619 2HB ASN 81 1HB ASN 81 0.406 -5.668 -7.202 620 1HD2 ASN 81 1HD2 ASN 81 0.641 -7.726 -7.965 621 2HD2 ASN 81 2HD2 ASN 81 2.012 -8.715 -7.621 622 H LEU 82 H LEU 82 -0.453 -4.767 -9.622 623 HA LEU 82 HA LEU 82 -0.186 -7.040 -11.211 624 1HB LEU 82 2HB LEU 82 -2.300 -5.813 -10.632 625 2HB LEU 82 1HB LEU 82 -1.868 -4.619 -11.838 626 HG LEU 82 HG LEU 82 -1.958 -6.366 -13.584 627 1HD1 LEU 82 1HD1 LEU 82 -2.897 -8.544 -13.076 628 2HD1 LEU 82 2HD1 LEU 82 -2.995 -8.122 -11.365 629 3HD1 LEU 82 3HD1 LEU 82 -1.422 -8.280 -12.147 630 1HD2 LEU 82 1HD2 LEU 82 -4.460 -6.139 -11.910 631 2HD2 LEU 82 2HD2 LEU 82 -4.389 -6.614 -13.607 632 3HD2 LEU 82 3HD2 LEU 82 -3.922 -4.983 -13.129 633 H SER 83 H SER 83 0.426 -3.637 -11.994 634 HA SER 83 HA SER 83 0.933 -4.137 -14.742 635 1HB SER 83 2HB SER 83 1.858 -1.770 -14.686 636 2HB SER 83 1HB SER 83 0.180 -1.965 -14.185 637 HG SER 83 HG SER 83 2.357 -1.110 -12.755 638 H LYS 84 H LYS 84 3.072 -3.788 -11.918 639 HA LYS 84 HA LYS 84 5.457 -3.862 -13.457 640 1HB LYS 84 2HB LYS 84 6.619 -4.377 -11.348 641 2HB LYS 84 1HB LYS 84 5.529 -3.008 -11.190 642 1HG LYS 84 2HG LYS 84 3.875 -4.478 -10.120 643 2HG LYS 84 1HG LYS 84 5.010 -5.820 -10.246 644 1HD LYS 84 2HD LYS 84 5.808 -3.289 -8.863 645 2HD LYS 84 1HD LYS 84 4.831 -4.490 -8.022 646 1HE LYS 84 2HE LYS 84 7.083 -4.946 -7.462 647 2HE LYS 84 1HE LYS 84 6.601 -6.184 -8.618 648 1HZ LYS 84 1HZ LYS 84 8.154 -3.739 -9.297 649 2HZ LYS 84 2HZ LYS 84 7.774 -5.018 -10.347 650 3HZ LYS 84 3HZ LYS 84 8.822 -5.277 -9.047 651 H VAL 85 H VAL 85 3.322 -6.317 -12.213 652 HA VAL 85 HA VAL 85 5.090 -8.513 -12.664 653 HB VAL 85 HB VAL 85 2.090 -8.423 -12.300 654 1HG1 VAL 85 1HG1 VAL 85 2.207 -10.870 -12.002 655 2HG1 VAL 85 2HG1 VAL 85 3.885 -10.833 -12.546 656 3HG1 VAL 85 3HG1 VAL 85 2.590 -10.362 -13.647 657 1HG2 VAL 85 1HG2 VAL 85 3.392 -7.837 -10.336 658 2HG2 VAL 85 2HG2 VAL 85 4.334 -9.319 -10.499 659 3HG2 VAL 85 3HG2 VAL 85 2.614 -9.405 -10.117 660 H ARG 86 H ARG 86 2.642 -6.865 -14.630 661 HA ARG 86 HA ARG 86 2.748 -8.808 -16.734 662 1HB ARG 86 2HB ARG 86 1.264 -7.462 -17.919 663 2HB ARG 86 1HB ARG 86 0.873 -7.097 -16.249 664 1HG ARG 86 2HG ARG 86 2.038 -5.013 -16.358 665 2HG ARG 86 1HG ARG 86 2.673 -5.398 -17.960 666 1HD ARG 86 2HD ARG 86 0.351 -5.458 -18.818 667 2HD ARG 86 1HD ARG 86 -0.222 -4.966 -17.226 668 HE ARG 86 HE ARG 86 1.053 -2.873 -17.564 669 1HH1 ARG 86 1HH1 ARG 86 0.285 -4.820 -20.371 670 2HH1 ARG 86 2HH1 ARG 86 0.243 -3.471 -21.460 671 1HH2 ARG 86 1HH2 ARG 86 0.981 -1.090 -18.994 672 2HH2 ARG 86 2HH2 ARG 86 0.643 -1.345 -20.682 673 H LEU 87 H LEU 87 4.689 -6.164 -15.784 674 HA LEU 87 HA LEU 87 5.971 -5.837 -18.349 675 1HB LEU 87 2HB LEU 87 5.759 -3.904 -16.935 676 2HB LEU 87 1HB LEU 87 6.551 -4.730 -15.606 677 HG LEU 87 HG LEU 87 8.630 -4.811 -16.974 678 1HD1 LEU 87 1HD1 LEU 87 7.681 -4.621 -19.186 679 2HD1 LEU 87 2HD1 LEU 87 8.796 -3.283 -18.900 680 3HD1 LEU 87 3HD1 LEU 87 7.056 -3.014 -18.809 681 1HD2 LEU 87 1HD2 LEU 87 9.210 -2.461 -16.631 682 2HD2 LEU 87 2HD2 LEU 87 8.307 -3.110 -15.263 683 3HD2 LEU 87 3HD2 LEU 87 7.501 -2.070 -16.436 684 H GLU 88 H GLU 88 6.914 -7.075 -15.136 685 HA GLU 88 HA GLU 88 9.475 -7.946 -16.101 686 1HB GLU 88 2HB GLU 88 8.081 -8.482 -13.475 687 2HB GLU 88 1HB GLU 88 9.760 -8.865 -13.828 688 1HG GLU 88 2HG GLU 88 10.191 -6.467 -14.215 689 2HG GLU 88 1HG GLU 88 8.528 -6.123 -13.742 690 H HIS 89 H HIS 89 6.347 -9.357 -15.788 691 HA HIS 89 HA HIS 89 7.421 -11.858 -16.883 692 1HB HIS 89 2HB HIS 89 6.250 -11.558 -14.296 693 2HB HIS 89 1HB HIS 89 5.127 -12.474 -15.299 694 HD1 HIS 89 1HD HIS 89 8.315 -12.755 -13.462 695 HD2 HIS 89 2HD HIS 89 6.211 -14.936 -16.317 696 HE1 HIS 89 1HE HIS 89 9.382 -15.036 -13.503 697 HE2 HIS 89 2HE HIS 89 8.207 -16.275 -15.361 698 H HIS 90 H HIS 90 4.596 -12.941 -16.758 699 HA HIS 90 HA HIS 90 3.454 -11.237 -18.870 700 1HB HIS 90 2HB HIS 90 4.660 -13.529 -19.497 701 2HB HIS 90 1HB HIS 90 3.099 -14.195 -19.026 702 HD1 HIS 90 1HD HIS 90 4.633 -13.672 -21.976 703 HD2 HIS 90 2HD HIS 90 1.115 -12.055 -20.451 704 HE1 HIS 90 1HE HIS 90 3.315 -12.902 -23.974 705 HE2 HIS 90 2HE HIS 90 1.321 -11.708 -23.009 706 H HIS 91 H HIS 91 1.613 -10.455 -18.084 707 HA HIS 91 HA HIS 91 -0.385 -12.277 -17.020 708 1HB HIS 91 2HB HIS 91 1.127 -11.351 -15.100 709 2HB HIS 91 1HB HIS 91 0.258 -9.846 -15.365 710 HD1 HIS 91 1HD HIS 91 -2.482 -10.110 -15.111 711 HD2 HIS 91 2HD HIS 91 -0.097 -13.059 -13.399 712 HE1 HIS 91 1HE HIS 91 -3.937 -11.267 -13.422 713 HE2 HIS 91 2HE HIS 91 -2.410 -12.892 -12.253 714 H HIS 92 H HIS 92 -2.424 -11.605 -17.543 715 HA HIS 92 HA HIS 92 -2.604 -9.063 -18.996 716 1HB HIS 92 2HB HIS 92 -4.325 -11.527 -18.948 717 2HB HIS 92 1HB HIS 92 -4.927 -10.009 -19.606 718 HD1 HIS 92 1HD HIS 92 -3.997 -9.235 -21.855 719 HD2 HIS 92 2HD HIS 92 -2.296 -12.774 -20.481 720 HE1 HIS 92 1HE HIS 92 -2.741 -10.190 -23.815 721 HE2 HIS 92 2HE HIS 92 -1.639 -12.278 -22.939 722 H HIS 93 H HIS 93 -5.079 -8.228 -18.811 723 HA HIS 93 HA HIS 93 -6.125 -8.274 -16.140 724 1HB HIS 93 2HB HIS 93 -5.872 -5.844 -15.713 725 2HB HIS 93 1HB HIS 93 -4.319 -6.668 -15.766 726 HD1 HIS 93 1HD HIS 93 -6.136 -3.837 -17.197 727 HD2 HIS 93 2HD HIS 93 -2.890 -6.207 -18.284 728 HE1 HIS 93 1HE HIS 93 -4.916 -2.549 -18.974 729 HE2 HIS 93 2HE HIS 93 -3.084 -4.088 -19.761 730 H HIS 94 H HIS 94 -8.084 -6.923 -15.957 731 HA HIS 94 HA HIS 94 -9.295 -6.335 -18.580 732 1HB HIS 94 2HB HIS 94 -10.060 -8.554 -17.642 733 2HB HIS 94 1HB HIS 94 -10.747 -7.673 -16.284 734 HD1 HIS 94 1HD HIS 94 -11.903 -9.262 -19.129 735 HD2 HIS 94 2HD HIS 94 -12.528 -5.428 -17.629 736 HE1 HIS 94 1HE HIS 94 -14.044 -8.461 -20.175 737 HE2 HIS 94 2HE HIS 94 -14.332 -6.094 -19.365 Start of MODEL 18 1 1H MET 1 1HT MET 1 -0.113 17.245 6.541 2 2H MET 1 2HT MET 1 0.480 17.858 5.077 3 3H MET 1 3HT MET 1 -0.223 18.903 6.199 4 HA MET 1 HA MET 1 2.197 19.066 6.162 5 1HB MET 1 2HB MET 1 0.868 18.039 8.671 6 2HB MET 1 1HB MET 1 2.517 18.642 8.656 7 1HG MET 1 2HG MET 1 1.075 20.385 9.401 8 2HG MET 1 1HG MET 1 1.677 20.800 7.798 9 1HE MET 1 1HE MET 1 -0.151 22.663 7.510 10 2HE MET 1 2HE MET 1 -0.761 22.308 9.125 11 3HE MET 1 3HE MET 1 -1.877 22.400 7.762 12 H TYR 2 H TYR 2 3.424 17.649 4.946 13 HA TYR 2 HA TYR 2 4.208 15.200 6.385 14 1HB TYR 2 2HB TYR 2 3.271 15.508 3.614 15 2HB TYR 2 1HB TYR 2 4.712 14.515 3.805 16 HD1 TYR 2 2HD TYR 2 1.229 14.908 5.080 17 HD2 TYR 2 1HD TYR 2 4.524 12.295 4.461 18 HE1 TYR 2 2HE TYR 2 -0.160 13.000 5.771 19 HE2 TYR 2 1HE TYR 2 3.149 10.382 5.154 20 HH TYR 2 HH TYR 2 -0.201 10.532 5.443 21 H THR 3 H THR 3 6.277 14.890 6.681 22 HA THR 3 HA THR 3 8.197 16.573 5.223 23 HB THR 3 HB THR 3 9.651 16.366 7.251 24 HG1 THR 3 1HG THR 3 8.249 15.788 9.206 25 1HG2 THR 3 1HG2 THR 3 6.941 17.590 7.789 26 2HG2 THR 3 2HG2 THR 3 8.256 18.366 6.907 27 3HG2 THR 3 3HG2 THR 3 8.447 17.988 8.619 28 H ALA 4 H ALA 4 10.482 15.515 5.366 29 HA ALA 4 HA ALA 4 10.385 12.931 4.194 30 1HB ALA 4 1HB ALA 4 12.811 12.988 4.272 31 2HB ALA 4 2HB ALA 4 12.766 14.344 5.400 32 3HB ALA 4 3HB ALA 4 12.185 14.550 3.748 33 H GLU 5 H GLU 5 10.987 14.128 7.422 34 HA GLU 5 HA GLU 5 11.740 11.754 8.696 35 1HB GLU 5 2HB GLU 5 11.856 14.046 9.678 36 2HB GLU 5 1HB GLU 5 10.107 14.036 9.827 37 1HG GLU 5 2HG GLU 5 10.320 12.033 11.279 38 2HG GLU 5 1HG GLU 5 12.067 12.262 11.242 39 H GLN 6 H GLN 6 8.565 13.206 8.119 40 HA GLN 6 HA GLN 6 7.022 11.254 9.416 41 1HB GLN 6 2HB GLN 6 6.138 13.444 8.738 42 2HB GLN 6 1HB GLN 6 6.291 12.986 7.049 43 1HG GLN 6 2HG GLN 6 4.012 12.769 7.656 44 2HG GLN 6 1HG GLN 6 4.669 11.147 7.466 45 1HE2 GLN 6 1HE2 GLN 6 2.334 12.052 8.935 46 2HE2 GLN 6 2HE2 GLN 6 2.560 11.552 10.575 47 H LYS 7 H LYS 7 8.039 11.524 6.020 48 HA LYS 7 HA LYS 7 6.819 9.187 5.084 49 1HB LYS 7 2HB LYS 7 9.228 10.733 4.212 50 2HB LYS 7 1HB LYS 7 8.875 9.182 3.468 51 1HG LYS 7 2HG LYS 7 6.598 10.084 2.906 52 2HG LYS 7 1HG LYS 7 7.175 11.665 3.442 53 1HD LYS 7 2HD LYS 7 8.918 11.639 1.770 54 2HD LYS 7 1HD LYS 7 8.492 9.994 1.301 55 1HE LYS 7 2HE LYS 7 6.269 10.817 0.588 56 2HE LYS 7 1HE LYS 7 6.785 12.460 0.971 57 1HZ LYS 7 1HZ LYS 7 7.042 11.983 -1.389 58 2HZ LYS 7 2HZ LYS 7 8.057 10.667 -1.039 59 3HZ LYS 7 3HZ LYS 7 8.553 12.245 -0.666 60 H ALA 8 H ALA 8 9.855 9.689 6.780 61 HA ALA 8 HA ALA 8 10.988 7.148 6.319 62 1HB ALA 8 1HB ALA 8 12.487 7.668 8.167 63 2HB ALA 8 2HB ALA 8 11.446 9.009 8.650 64 3HB ALA 8 3HB ALA 8 12.294 9.062 7.104 65 H ARG 9 H ARG 9 8.934 8.378 8.932 66 HA ARG 9 HA ARG 9 9.042 6.090 10.569 67 1HB ARG 9 2HB ARG 9 6.730 8.018 10.271 68 2HB ARG 9 1HB ARG 9 7.007 6.931 11.622 69 1HG ARG 9 2HG ARG 9 9.081 8.158 12.145 70 2HG ARG 9 1HG ARG 9 8.713 9.284 10.836 71 1HD ARG 9 2HD ARG 9 6.544 9.776 11.973 72 2HD ARG 9 1HD ARG 9 7.088 8.785 13.325 73 HE ARG 9 HE ARG 9 8.862 10.947 12.559 74 1HH1 ARG 9 1HH1 ARG 9 6.336 9.828 14.705 75 2HH1 ARG 9 2HH1 ARG 9 6.553 11.128 15.837 76 1HH2 ARG 9 1HH2 ARG 9 9.142 12.675 14.061 77 2HH2 ARG 9 2HH2 ARG 9 8.133 12.725 15.480 78 H ILE 10 H ILE 10 6.935 6.980 7.896 79 HA ILE 10 HA ILE 10 5.200 4.743 8.102 80 HB ILE 10 HB ILE 10 5.771 6.518 5.723 81 1HG1 ILE 10 2HG1 ILE 10 3.576 6.646 7.811 82 2HG1 ILE 10 1HG1 ILE 10 4.967 7.722 7.732 83 1HG2 ILE 10 1HG2 ILE 10 4.738 4.406 5.061 84 2HG2 ILE 10 2HG2 ILE 10 3.603 5.742 4.878 85 3HG2 ILE 10 3HG2 ILE 10 3.458 4.646 6.252 86 1HD1 ILE 10 1HD1 ILE 10 4.203 8.605 5.618 87 2HD1 ILE 10 2HD1 ILE 10 2.933 8.743 6.835 88 3HD1 ILE 10 3HD1 ILE 10 2.849 7.476 5.612 89 H LYS 11 H LYS 11 8.079 5.431 6.144 90 HA LYS 11 HA LYS 11 8.144 3.064 4.664 91 1HB LYS 11 2HB LYS 11 10.411 4.804 5.643 92 2HB LYS 11 1HB LYS 11 10.609 3.488 4.492 93 1HG LYS 11 2HG LYS 11 9.158 4.595 2.910 94 2HG LYS 11 1HG LYS 11 8.826 5.879 4.073 95 1HD LYS 11 2HD LYS 11 11.228 6.473 4.048 96 2HD LYS 11 1HD LYS 11 11.491 5.236 2.813 97 1HE LYS 11 2HE LYS 11 9.985 6.396 1.304 98 2HE LYS 11 1HE LYS 11 9.637 7.602 2.543 99 1HZ LYS 11 1HZ LYS 11 11.229 8.495 1.038 100 2HZ LYS 11 2HZ LYS 11 12.230 7.135 1.173 101 3HZ LYS 11 3HZ LYS 11 12.034 8.179 2.498 102 H TRP 12 H TRP 12 9.284 3.730 7.940 103 HA TRP 12 HA TRP 12 10.572 1.248 8.349 104 1HB TRP 12 2HB TRP 12 9.465 3.353 10.169 105 2HB TRP 12 1HB TRP 12 9.945 1.803 10.841 106 HD1 TRP 12 HD TRP 12 11.637 4.329 8.405 107 HE1 TRP 12 1HE TRP 12 14.086 4.608 9.149 108 HE3 TRP 12 3HE TRP 12 11.610 1.161 12.400 109 HZ2 TRP 12 2HZ TRP 12 15.778 3.607 11.175 110 HZ3 TRP 12 3HZ TRP 12 13.684 0.878 13.698 111 HH2 TRP 12 HH TRP 12 15.724 2.077 13.096 112 H ALA 13 H ALA 13 7.230 2.241 8.523 113 HA ALA 13 HA ALA 13 6.391 -0.186 9.855 114 1HB ALA 13 1HB ALA 13 5.278 1.952 10.320 115 2HB ALA 13 2HB ALA 13 4.154 0.733 9.721 116 3HB ALA 13 3HB ALA 13 4.720 2.013 8.647 117 H CYS 14 H CYS 14 7.204 0.577 6.720 118 HA CYS 14 HA CYS 14 5.177 -0.744 5.252 119 1HB CYS 14 2HB CYS 14 8.068 -0.219 4.532 120 2HB CYS 14 1HB CYS 14 6.842 -0.788 3.405 121 HG CYS 14 HG CYS 14 6.190 2.078 5.077 122 H ARG 15 H ARG 15 8.218 -1.860 6.681 123 HA ARG 15 HA ARG 15 7.752 -4.547 5.716 124 1HB ARG 15 2HB ARG 15 9.917 -3.276 7.349 125 2HB ARG 15 1HB ARG 15 9.753 -5.028 7.311 126 1HG ARG 15 2HG ARG 15 9.881 -4.907 4.826 127 2HG ARG 15 1HG ARG 15 10.252 -3.190 4.985 128 1HD ARG 15 2HD ARG 15 12.263 -3.672 6.190 129 2HD ARG 15 1HD ARG 15 11.851 -5.384 6.290 130 HE ARG 15 HE ARG 15 12.166 -4.214 3.629 131 1HH1 ARG 15 1HH1 ARG 15 13.501 -6.186 6.209 132 2HH1 ARG 15 2HH1 ARG 15 14.660 -6.977 5.180 133 1HH2 ARG 15 1HH2 ARG 15 13.687 -5.270 2.269 134 2HH2 ARG 15 2HH2 ARG 15 14.746 -6.477 2.935 135 H ARG 16 H ARG 16 5.650 -4.716 6.702 136 HA ARG 16 HA ARG 16 5.430 -4.909 9.553 137 1HB ARG 16 2HB ARG 16 3.519 -4.313 8.081 138 2HB ARG 16 1HB ARG 16 3.564 -5.932 7.398 139 1HG ARG 16 2HG ARG 16 1.803 -5.753 9.038 140 2HG ARG 16 1HG ARG 16 3.048 -6.868 9.600 141 1HD ARG 16 2HD ARG 16 4.030 -4.970 10.903 142 2HD ARG 16 1HD ARG 16 2.610 -4.020 10.468 143 HE ARG 16 HE ARG 16 1.879 -6.504 11.648 144 1HH1 ARG 16 1HH1 ARG 16 3.032 -3.272 12.410 145 2HH1 ARG 16 2HH1 ARG 16 2.411 -3.314 14.034 146 1HH2 ARG 16 1HH2 ARG 16 1.077 -6.548 13.767 147 2HH2 ARG 16 2HH2 ARG 16 1.293 -5.163 14.803 148 H GLY 17 H GLY 17 6.013 -7.106 6.901 149 1HA GLY 17 2HA GLY 17 7.377 -9.022 8.327 150 2HA GLY 17 1HA GLY 17 5.691 -9.522 8.381 151 H MET 18 H MET 18 4.762 -8.828 5.946 152 HA MET 18 HA MET 18 5.738 -10.846 4.232 153 1HB MET 18 2HB MET 18 3.417 -9.854 4.253 154 2HB MET 18 1HB MET 18 4.083 -8.444 3.441 155 1HG MET 18 2HG MET 18 3.062 -9.842 1.808 156 2HG MET 18 1HG MET 18 4.808 -9.922 1.587 157 1HE MET 18 1HE MET 18 4.174 -12.067 0.007 158 2HE MET 18 2HE MET 18 2.477 -11.982 0.481 159 3HE MET 18 3HE MET 18 3.356 -13.504 0.624 160 H LEU 19 H LEU 19 7.769 -10.741 3.488 161 HA LEU 19 HA LEU 19 9.184 -8.322 3.105 162 1HB LEU 19 2HB LEU 19 9.795 -11.137 2.220 163 2HB LEU 19 1HB LEU 19 10.919 -9.801 2.110 164 HG LEU 19 HG LEU 19 9.773 -10.919 4.666 165 1HD1 LEU 19 1HD1 LEU 19 12.026 -11.721 5.085 166 2HD1 LEU 19 2HD1 LEU 19 12.554 -11.094 3.524 167 3HD1 LEU 19 3HD1 LEU 19 11.384 -12.411 3.594 168 1HD2 LEU 19 1HD2 LEU 19 11.380 -9.436 5.776 169 2HD2 LEU 19 2HD2 LEU 19 10.191 -8.528 4.842 170 3HD2 LEU 19 3HD2 LEU 19 11.823 -8.752 4.211 171 H GLU 20 H GLU 20 7.323 -10.362 0.976 172 HA GLU 20 HA GLU 20 8.329 -9.377 -1.472 173 1HB GLU 20 2HB GLU 20 5.586 -10.525 -0.915 174 2HB GLU 20 1HB GLU 20 6.354 -10.377 -2.491 175 1HG GLU 20 2HG GLU 20 8.180 -11.874 -1.619 176 2HG GLU 20 1HG GLU 20 7.158 -12.160 -0.212 177 H LEU 21 H LEU 21 6.231 -8.010 0.866 178 HA LEU 21 HA LEU 21 5.023 -6.154 -1.021 179 1HB LEU 21 2HB LEU 21 4.691 -6.504 1.953 180 2HB LEU 21 1HB LEU 21 3.905 -5.233 1.037 181 HG LEU 21 HG LEU 21 3.484 -8.201 0.686 182 1HD1 LEU 21 1HD1 LEU 21 1.682 -6.036 1.755 183 2HD1 LEU 21 2HD1 LEU 21 2.458 -7.306 2.701 184 3HD1 LEU 21 3HD1 LEU 21 1.231 -7.722 1.503 185 1HD2 LEU 21 1HD2 LEU 21 1.729 -7.563 -0.901 186 2HD2 LEU 21 2HD2 LEU 21 3.322 -7.042 -1.452 187 3HD2 LEU 21 3HD2 LEU 21 2.207 -5.872 -0.746 188 H ASP 22 H ASP 22 7.887 -6.325 0.670 189 HA ASP 22 HA ASP 22 8.217 -3.676 1.593 190 1HB ASP 22 2HB ASP 22 9.768 -5.359 2.328 191 2HB ASP 22 1HB ASP 22 10.229 -5.737 0.670 192 H VAL 23 H VAL 23 8.845 -5.207 -1.513 193 HA VAL 23 HA VAL 23 9.942 -2.836 -2.715 194 HB VAL 23 HB VAL 23 8.944 -5.305 -4.138 195 1HG1 VAL 23 1HG1 VAL 23 9.439 -3.397 -5.579 196 2HG1 VAL 23 2HG1 VAL 23 10.598 -4.702 -5.832 197 3HG1 VAL 23 3HG1 VAL 23 11.056 -3.285 -4.886 198 1HG2 VAL 23 1HG2 VAL 23 11.259 -6.152 -3.977 199 2HG2 VAL 23 2HG2 VAL 23 10.458 -6.041 -2.410 200 3HG2 VAL 23 3HG2 VAL 23 11.643 -4.823 -2.882 201 H VAL 24 H VAL 24 6.859 -3.838 -1.936 202 HA VAL 24 HA VAL 24 5.574 -2.533 -4.220 203 HB VAL 24 HB VAL 24 4.337 -4.143 -1.981 204 1HG1 VAL 24 1HG1 VAL 24 3.121 -3.119 -4.543 205 2HG1 VAL 24 2HG1 VAL 24 2.795 -2.500 -2.924 206 3HG1 VAL 24 3HG1 VAL 24 2.321 -4.145 -3.351 207 1HG2 VAL 24 1HG2 VAL 24 5.758 -5.510 -3.415 208 2HG2 VAL 24 2HG2 VAL 24 4.920 -4.903 -4.843 209 3HG2 VAL 24 3HG2 VAL 24 4.056 -5.896 -3.668 210 H ILE 25 H ILE 25 5.206 -2.565 -0.663 211 HA ILE 25 HA ILE 25 3.370 -0.452 -0.590 212 HB ILE 25 HB ILE 25 5.222 -1.385 1.603 213 1HG1 ILE 25 2HG1 ILE 25 2.364 -2.165 0.970 214 2HG1 ILE 25 1HG1 ILE 25 3.782 -3.174 0.686 215 1HG2 ILE 25 1HG2 ILE 25 4.326 0.807 2.106 216 2HG2 ILE 25 2HG2 ILE 25 3.548 -0.404 3.124 217 3HG2 ILE 25 3HG2 ILE 25 2.692 0.256 1.731 218 1HD1 ILE 25 1HD1 ILE 25 2.768 -2.237 3.363 219 2HD1 ILE 25 2HD1 ILE 25 4.208 -3.220 3.096 220 3HD1 ILE 25 3HD1 ILE 25 2.617 -3.860 2.689 221 H MET 26 H MET 26 6.902 -0.419 -0.328 222 HA MET 26 HA MET 26 7.141 2.165 0.728 223 1HB MET 26 2HB MET 26 8.962 0.535 0.777 224 2HB MET 26 1HB MET 26 9.121 0.648 -0.971 225 1HG MET 26 2HG MET 26 9.749 2.998 -0.764 226 2HG MET 26 1HG MET 26 9.593 2.884 0.989 227 1HE MET 26 1HE MET 26 12.011 3.705 1.518 228 2HE MET 26 2HE MET 26 12.219 4.024 -0.204 229 3HE MET 26 3HE MET 26 13.450 3.124 0.682 230 HA PRO 27 HA PRO 27 7.665 3.942 -3.708 231 1HB PRO 27 2HB PRO 27 6.784 1.863 -5.572 232 2HB PRO 27 1HB PRO 27 8.272 2.811 -5.579 233 1HG PRO 27 2HG PRO 27 8.251 0.176 -5.007 234 2HG PRO 27 1HG PRO 27 9.402 1.301 -4.262 235 1HD PRO 27 2HD PRO 27 6.873 0.153 -3.132 236 2HD PRO 27 1HD PRO 27 8.452 0.387 -2.350 237 H PHE 28 H PHE 28 5.085 1.510 -3.409 238 HA PHE 28 HA PHE 28 3.130 2.946 -4.832 239 1HB PHE 28 2HB PHE 28 3.084 0.657 -2.949 240 2HB PHE 28 1HB PHE 28 1.572 1.535 -3.172 241 HD1 PHE 28 2HD PHE 28 4.167 -0.449 -4.863 242 HD2 PHE 28 1HD PHE 28 0.358 1.413 -5.203 243 HE1 PHE 28 2HE PHE 28 3.775 -1.655 -6.968 244 HE2 PHE 28 1HE PHE 28 -0.041 0.214 -7.312 245 HZ PHE 28 HZ PHE 28 1.670 -1.322 -8.197 246 H PHE 29 H PHE 29 4.121 3.066 -1.455 247 HA PHE 29 HA PHE 29 2.137 4.736 -0.453 248 1HB PHE 29 2HB PHE 29 3.711 3.897 1.104 249 2HB PHE 29 1HB PHE 29 5.078 4.506 0.177 250 HD1 PHE 29 1HD PHE 29 2.032 5.784 1.922 251 HD2 PHE 29 2HD PHE 29 6.124 6.406 0.926 252 HE1 PHE 29 1HE PHE 29 2.049 7.831 3.282 253 HE2 PHE 29 2HE PHE 29 6.145 8.457 2.286 254 HZ PHE 29 HZ PHE 29 4.106 9.171 3.464 255 H GLU 30 H GLU 30 5.140 5.575 -2.148 256 HA GLU 30 HA GLU 30 4.744 8.368 -2.066 257 1HB GLU 30 2HB GLU 30 6.357 6.700 -4.003 258 2HB GLU 30 1HB GLU 30 6.482 8.441 -3.819 259 1HG GLU 30 2HG GLU 30 6.803 7.607 -1.272 260 2HG GLU 30 1HG GLU 30 7.561 6.294 -2.164 261 H GLU 31 H GLU 31 3.766 5.883 -4.317 262 HA GLU 31 HA GLU 31 2.804 7.607 -6.347 263 1HB GLU 31 2HB GLU 31 1.932 4.784 -5.711 264 2HB GLU 31 1HB GLU 31 1.595 5.650 -7.203 265 1HG GLU 31 2HG GLU 31 4.088 5.832 -7.520 266 2HG GLU 31 1HG GLU 31 4.251 4.695 -6.183 267 H CYS 32 H CYS 32 1.111 5.946 -3.673 268 HA CYS 32 HA CYS 32 -1.414 7.083 -4.388 269 1HB CYS 32 2HB CYS 32 -2.203 6.149 -2.224 270 2HB CYS 32 1HB CYS 32 -1.404 4.966 -3.250 271 HG CYS 32 HG CYS 32 0.843 4.714 -1.779 272 H PHE 33 H PHE 33 1.095 7.897 -2.042 273 HA PHE 33 HA PHE 33 -0.127 9.902 -0.587 274 1HB PHE 33 2HB PHE 33 2.086 9.224 -0.002 275 2HB PHE 33 1HB PHE 33 2.703 9.594 -1.605 276 HD1 PHE 33 1HD PHE 33 1.688 10.996 1.629 277 HD2 PHE 33 2HD PHE 33 3.335 11.830 -2.205 278 HE1 PHE 33 1HE PHE 33 2.432 13.201 2.425 279 HE2 PHE 33 2HE PHE 33 4.083 14.033 -1.412 280 HZ PHE 33 HZ PHE 33 3.631 14.723 0.906 281 H ASP 34 H ASP 34 1.144 9.968 -3.825 282 HA ASP 34 HA ASP 34 1.069 12.770 -4.230 283 1HB ASP 34 2HB ASP 34 2.306 10.887 -5.547 284 2HB ASP 34 1HB ASP 34 0.797 10.751 -6.444 285 H SER 35 H SER 35 -1.375 10.398 -4.094 286 HA SER 35 HA SER 35 -3.200 12.040 -5.727 287 1HB SER 35 2HB SER 35 -3.380 9.058 -5.278 288 2HB SER 35 1HB SER 35 -4.299 10.025 -6.432 289 HG SER 35 HG SER 35 -1.475 9.689 -6.467 290 H LEU 36 H LEU 36 -2.578 11.133 -2.584 291 HA LEU 36 HA LEU 36 -5.438 11.039 -1.876 292 1HB LEU 36 2HB LEU 36 -3.066 10.076 -0.271 293 2HB LEU 36 1HB LEU 36 -4.744 9.970 0.220 294 HG LEU 36 HG LEU 36 -3.459 8.501 -2.081 295 1HD1 LEU 36 1HD1 LEU 36 -2.859 7.630 0.115 296 2HD1 LEU 36 2HD1 LEU 36 -3.917 6.512 -0.745 297 3HD1 LEU 36 3HD1 LEU 36 -4.566 7.521 0.548 298 1HD2 LEU 36 1HD2 LEU 36 -5.765 9.112 -2.612 299 2HD2 LEU 36 2HD2 LEU 36 -6.309 8.421 -1.084 300 3HD2 LEU 36 3HD2 LEU 36 -5.621 7.378 -2.329 301 H THR 37 H THR 37 -5.690 11.784 0.559 302 HA THR 37 HA THR 37 -3.996 14.116 1.086 303 HB THR 37 HB THR 37 -6.266 15.141 2.018 304 HG1 THR 37 1HG THR 37 -7.244 13.058 0.870 305 1HG2 THR 37 1HG2 THR 37 -6.454 16.433 -0.048 306 2HG2 THR 37 2HG2 THR 37 -5.460 15.243 -0.889 307 3HG2 THR 37 3HG2 THR 37 -4.766 16.215 0.409 308 H GLU 38 H GLU 38 -4.954 14.991 3.429 309 HA GLU 38 HA GLU 38 -3.646 13.322 5.204 310 1HB GLU 38 2HB GLU 38 -5.796 15.346 5.875 311 2HB GLU 38 1HB GLU 38 -4.565 14.741 6.971 312 1HG GLU 38 2HG GLU 38 -3.874 16.195 4.439 313 2HG GLU 38 1HG GLU 38 -4.207 17.038 5.947 314 H SER 39 H SER 39 -7.144 13.586 4.637 315 HA SER 39 HA SER 39 -8.042 11.988 6.715 316 1HB SER 39 2HB SER 39 -9.958 11.523 4.987 317 2HB SER 39 1HB SER 39 -9.709 13.155 5.606 318 HG SER 39 HG SER 39 -9.358 12.147 3.052 319 H GLU 40 H GLU 40 -7.262 11.011 3.374 320 HA GLU 40 HA GLU 40 -7.703 8.231 3.842 321 1HB GLU 40 2HB GLU 40 -6.144 9.621 1.651 322 2HB GLU 40 1HB GLU 40 -6.579 7.924 1.645 323 1HG GLU 40 2HG GLU 40 -8.107 9.016 0.232 324 2HG GLU 40 1HG GLU 40 -8.984 8.650 1.718 325 H GLN 41 H GLN 41 -4.879 10.308 3.711 326 HA GLN 41 HA GLN 41 -2.875 8.386 3.886 327 1HB GLN 41 2HB GLN 41 -3.035 11.275 4.694 328 2HB GLN 41 1HB GLN 41 -1.552 10.357 4.889 329 1HG GLN 41 2HG GLN 41 -1.478 9.909 2.514 330 2HG GLN 41 1HG GLN 41 -3.031 10.712 2.289 331 1HE2 GLN 41 1HE2 GLN 41 -2.318 12.806 4.236 332 2HE2 GLN 41 2HE2 GLN 41 -1.223 13.852 3.414 333 H ASP 42 H ASP 42 -4.678 10.017 6.453 334 HA ASP 42 HA ASP 42 -3.156 8.976 8.612 335 1HB ASP 42 2HB ASP 42 -4.664 10.932 8.814 336 2HB ASP 42 1HB ASP 42 -6.050 9.874 8.580 337 H ASP 43 H ASP 43 -6.092 7.900 6.986 338 HA ASP 43 HA ASP 43 -6.659 5.696 8.674 339 1HB ASP 43 2HB ASP 43 -8.100 6.917 6.842 340 2HB ASP 43 1HB ASP 43 -7.392 5.715 5.767 341 H PHE 44 H PHE 44 -4.723 6.122 5.793 342 HA PHE 44 HA PHE 44 -4.067 3.432 5.298 343 1HB PHE 44 2HB PHE 44 -3.723 5.181 3.639 344 2HB PHE 44 1HB PHE 44 -2.562 5.985 4.686 345 HD1 PHE 44 1HD PHE 44 -3.121 2.721 2.971 346 HD2 PHE 44 2HD PHE 44 -0.321 5.602 4.369 347 HE1 PHE 44 1HE PHE 44 -1.296 1.465 1.896 348 HE2 PHE 44 2HE PHE 44 1.508 4.354 3.299 349 HZ PHE 44 HZ PHE 44 1.023 2.283 2.060 350 H VAL 45 H VAL 45 -2.316 5.965 7.099 351 HA VAL 45 HA VAL 45 -0.138 4.368 7.873 352 HB VAL 45 HB VAL 45 -1.313 6.765 9.293 353 1HG1 VAL 45 1HG1 VAL 45 1.383 5.451 9.612 354 2HG1 VAL 45 2HG1 VAL 45 0.088 5.485 10.809 355 3HG1 VAL 45 3HG1 VAL 45 0.900 6.981 10.344 356 1HG2 VAL 45 1HG2 VAL 45 -0.619 7.261 7.012 357 2HG2 VAL 45 2HG2 VAL 45 0.963 6.547 7.326 358 3HG2 VAL 45 3HG2 VAL 45 0.474 8.014 8.174 359 H ALA 46 H ALA 46 -3.213 5.050 9.504 360 HA ALA 46 HA ALA 46 -2.710 3.681 11.889 361 1HB ALA 46 1HB ALA 46 -4.624 5.182 11.512 362 2HB ALA 46 2HB ALA 46 -5.104 3.631 12.199 363 3HB ALA 46 3HB ALA 46 -5.361 3.953 10.484 364 H LEU 47 H LEU 47 -3.915 2.492 8.786 365 HA LEU 47 HA LEU 47 -4.578 -0.108 9.692 366 1HB LEU 47 2HB LEU 47 -5.438 0.901 7.596 367 2HB LEU 47 1HB LEU 47 -3.836 0.764 6.900 368 HG LEU 47 HG LEU 47 -3.962 -1.692 7.109 369 1HD1 LEU 47 1HD1 LEU 47 -6.095 -2.754 7.648 370 2HD1 LEU 47 2HD1 LEU 47 -6.781 -1.177 8.037 371 3HD1 LEU 47 3HD1 LEU 47 -5.466 -1.832 9.013 372 1HD2 LEU 47 1HD2 LEU 47 -4.640 -0.594 5.031 373 2HD2 LEU 47 2HD2 LEU 47 -6.292 -0.470 5.638 374 3HD2 LEU 47 3HD2 LEU 47 -5.583 -2.055 5.328 375 H LEU 48 H LEU 48 -1.631 1.324 8.429 376 HA LEU 48 HA LEU 48 -0.218 -1.060 7.925 377 1HB LEU 48 2HB LEU 48 0.822 1.686 8.618 378 2HB LEU 48 1HB LEU 48 1.810 0.367 8.021 379 HG LEU 48 HG LEU 48 -0.429 1.720 6.513 380 1HD1 LEU 48 1HD1 LEU 48 1.364 2.562 5.087 381 2HD1 LEU 48 2HD1 LEU 48 2.561 1.806 6.139 382 3HD1 LEU 48 3HD1 LEU 48 1.552 3.118 6.750 383 1HD2 LEU 48 1HD2 LEU 48 -0.250 -0.640 5.931 384 2HD2 LEU 48 2HD2 LEU 48 1.482 -0.452 5.657 385 3HD2 LEU 48 3HD2 LEU 48 0.329 0.379 4.612 386 H GLU 49 H GLU 49 -0.935 0.591 10.864 387 HA GLU 49 HA GLU 49 1.200 -0.593 12.374 388 1HB GLU 49 2HB GLU 49 -1.311 0.822 13.267 389 2HB GLU 49 1HB GLU 49 -0.045 0.269 14.353 390 1HG GLU 49 2HG GLU 49 1.530 1.709 12.931 391 2HG GLU 49 1HG GLU 49 0.054 2.459 12.318 392 H SER 50 H SER 50 -1.716 -1.742 11.168 393 HA SER 50 HA SER 50 -2.044 -3.710 13.322 394 1HB SER 50 2HB SER 50 -3.822 -3.133 10.935 395 2HB SER 50 1HB SER 50 -4.202 -4.208 12.283 396 HG SER 50 HG SER 50 -3.589 -1.471 12.664 397 H ASP 51 H ASP 51 -2.622 -5.956 12.550 398 HA ASP 51 HA ASP 51 -0.642 -7.024 10.824 399 1HB ASP 51 2HB ASP 51 -1.797 -8.237 12.728 400 2HB ASP 51 1HB ASP 51 -3.214 -8.363 11.692 401 H ASP 52 H ASP 52 -1.190 -8.327 8.814 402 HA ASP 52 HA ASP 52 -3.047 -6.680 7.220 403 1HB ASP 52 2HB ASP 52 -1.446 -6.922 5.354 404 2HB ASP 52 1HB ASP 52 -0.733 -6.123 6.753 405 HA PRO 53 HA PRO 53 -4.054 -11.095 6.047 406 1HB PRO 53 2HB PRO 53 -6.307 -11.441 7.677 407 2HB PRO 53 1HB PRO 53 -4.725 -12.179 7.921 408 1HG PRO 53 2HG PRO 53 -5.977 -10.236 9.557 409 2HG PRO 53 1HG PRO 53 -4.324 -10.851 9.695 410 1HD PRO 53 2HD PRO 53 -5.307 -8.325 8.510 411 2HD PRO 53 1HD PRO 53 -3.726 -8.704 9.222 412 H ASP 54 H ASP 54 -6.527 -8.853 7.272 413 HA ASP 54 HA ASP 54 -8.297 -9.216 5.075 414 1HB ASP 54 2HB ASP 54 -9.480 -7.242 6.029 415 2HB ASP 54 1HB ASP 54 -9.184 -8.510 7.209 416 H LEU 55 H LEU 55 -5.715 -6.988 5.850 417 HA LEU 55 HA LEU 55 -6.062 -5.140 3.776 418 1HB LEU 55 2HB LEU 55 -4.457 -5.030 5.742 419 2HB LEU 55 1HB LEU 55 -3.419 -6.127 4.860 420 HG LEU 55 HG LEU 55 -4.226 -3.463 3.708 421 1HD1 LEU 55 1HD1 LEU 55 -3.203 -3.048 5.884 422 2HD1 LEU 55 2HD1 LEU 55 -2.132 -2.558 4.570 423 3HD1 LEU 55 3HD1 LEU 55 -1.832 -4.064 5.439 424 1HD2 LEU 55 1HD2 LEU 55 -3.246 -5.112 2.172 425 2HD2 LEU 55 2HD2 LEU 55 -1.841 -5.251 3.229 426 3HD2 LEU 55 3HD2 LEU 55 -2.183 -3.726 2.412 427 H PHE 56 H PHE 56 -4.126 -8.135 3.886 428 HA PHE 56 HA PHE 56 -3.301 -8.078 1.192 429 1HB PHE 56 2HB PHE 56 -2.371 -9.509 3.093 430 2HB PHE 56 1HB PHE 56 -3.744 -10.576 2.830 431 HD1 PHE 56 1HD PHE 56 -0.673 -9.223 1.318 432 HD2 PHE 56 2HD PHE 56 -3.787 -12.109 1.028 433 HE1 PHE 56 1HE PHE 56 0.589 -10.400 -0.432 434 HE2 PHE 56 2HE PHE 56 -2.533 -13.291 -0.729 435 HZ PHE 56 HZ PHE 56 -0.341 -12.436 -1.461 436 H ALA 57 H ALA 57 -6.184 -9.227 2.763 437 HA ALA 57 HA ALA 57 -7.216 -10.897 0.768 438 1HB ALA 57 1HB ALA 57 -8.071 -10.808 3.067 439 2HB ALA 57 2HB ALA 57 -9.354 -10.624 1.870 440 3HB ALA 57 3HB ALA 57 -8.751 -9.213 2.737 441 H TRP 58 H TRP 58 -7.710 -7.399 1.290 442 HA TRP 58 HA TRP 58 -9.478 -7.223 -0.932 443 1HB TRP 58 2HB TRP 58 -8.161 -5.139 0.777 444 2HB TRP 58 1HB TRP 58 -9.125 -4.709 -0.636 445 HD1 TRP 58 HD TRP 58 -9.538 -6.817 2.564 446 HE1 TRP 58 1HE TRP 58 -11.970 -6.605 3.363 447 HE3 TRP 58 3HE TRP 58 -11.371 -3.915 -1.233 448 HZ2 TRP 58 2HZ TRP 58 -14.353 -5.376 2.489 449 HZ3 TRP 58 3HZ TRP 58 -13.754 -3.273 -1.176 450 HH2 TRP 58 HH TRP 58 -15.210 -3.993 0.649 451 H VAL 59 H VAL 59 -6.034 -6.859 -0.496 452 HA VAL 59 HA VAL 59 -5.468 -5.648 -2.989 453 HB VAL 59 HB VAL 59 -3.717 -7.473 -1.324 454 1HG1 VAL 59 1HG1 VAL 59 -2.984 -5.587 -3.556 455 2HG1 VAL 59 2HG1 VAL 59 -2.934 -7.349 -3.621 456 3HG1 VAL 59 3HG1 VAL 59 -1.844 -6.475 -2.544 457 1HG2 VAL 59 1HG2 VAL 59 -2.683 -5.374 -0.555 458 2HG2 VAL 59 2HG2 VAL 59 -4.377 -5.508 -0.086 459 3HG2 VAL 59 3HG2 VAL 59 -3.914 -4.467 -1.433 460 H MET 60 H MET 60 -5.633 -9.046 -1.966 461 HA MET 60 HA MET 60 -5.033 -10.035 -4.601 462 1HB MET 60 2HB MET 60 -5.425 -12.248 -3.662 463 2HB MET 60 1HB MET 60 -4.410 -11.299 -2.588 464 1HG MET 60 2HG MET 60 -6.382 -10.812 -1.197 465 2HG MET 60 1HG MET 60 -7.350 -11.846 -2.245 466 1HE MET 60 1HE MET 60 -6.991 -14.477 -2.459 467 2HE MET 60 2HE MET 60 -5.719 -15.361 -1.614 468 3HE MET 60 3HE MET 60 -5.301 -14.208 -2.882 469 H GLY 61 H GLY 61 -7.873 -8.996 -2.990 470 1HA GLY 61 2HA GLY 61 -9.940 -8.610 -4.009 471 2HA GLY 61 1HA GLY 61 -9.424 -9.596 -5.370 472 H HIS 62 H HIS 62 -9.431 -10.467 -1.959 473 HA HIS 62 HA HIS 62 -11.750 -12.173 -2.250 474 1HB HIS 62 2HB HIS 62 -9.847 -13.541 -3.146 475 2HB HIS 62 1HB HIS 62 -9.052 -13.386 -1.586 476 HD1 HIS 62 1HD HIS 62 -9.850 -14.909 0.309 477 HD2 HIS 62 2HD HIS 62 -12.124 -15.244 -3.165 478 HE1 HIS 62 1HE HIS 62 -11.284 -16.951 0.626 479 HE2 HIS 62 2HE HIS 62 -12.592 -17.188 -1.513 480 H GLY 63 H GLY 63 -12.579 -10.838 -0.580 481 1HA GLY 63 2HA GLY 63 -12.347 -11.774 1.996 482 2HA GLY 63 1HA GLY 63 -11.142 -10.503 1.880 483 H ARG 64 H ARG 64 -12.671 -9.829 3.695 484 HA ARG 64 HA ARG 64 -14.555 -7.871 2.593 485 1HB ARG 64 2HB ARG 64 -16.184 -8.424 4.393 486 2HB ARG 64 1HB ARG 64 -15.956 -9.739 3.247 487 1HG ARG 64 2HG ARG 64 -14.398 -10.809 4.833 488 2HG ARG 64 1HG ARG 64 -14.745 -9.528 5.995 489 1HD ARG 64 2HD ARG 64 -17.079 -10.174 6.047 490 2HD ARG 64 1HD ARG 64 -16.786 -11.403 4.815 491 HE ARG 64 HE ARG 64 -15.182 -11.653 7.217 492 1HH1 ARG 64 1HH1 ARG 64 -18.136 -12.583 5.561 493 2HH1 ARG 64 2HH1 ARG 64 -18.362 -14.015 6.516 494 1HH2 ARG 64 1HH2 ARG 64 -15.471 -13.559 8.450 495 2HH2 ARG 64 2HH2 ARG 64 -16.874 -14.556 8.171 496 H CYS 65 H CYS 65 -15.235 -6.309 4.414 497 HA CYS 65 HA CYS 65 -13.426 -6.067 6.635 498 1HB CYS 65 2HB CYS 65 -12.103 -5.103 4.747 499 2HB CYS 65 1HB CYS 65 -13.382 -3.919 4.501 500 HG CYS 65 HG CYS 65 -11.353 -4.192 7.242 501 H GLU 66 H GLU 66 -14.005 -4.177 7.994 502 HA GLU 66 HA GLU 66 -16.888 -3.972 8.060 503 1HB GLU 66 2HB GLU 66 -14.830 -2.922 10.003 504 2HB GLU 66 1HB GLU 66 -16.566 -2.952 10.262 505 1HG GLU 66 2HG GLU 66 -14.706 -5.295 10.040 506 2HG GLU 66 1HG GLU 66 -15.612 -4.769 11.456 507 H ASN 67 H ASN 67 -14.142 -1.865 7.414 508 HA ASN 67 HA ASN 67 -16.049 0.364 7.088 509 1HB ASN 67 2HB ASN 67 -14.351 0.536 8.999 510 2HB ASN 67 1HB ASN 67 -13.124 0.705 7.749 511 1HD2 ASN 67 1HD2 ASN 67 -13.978 2.573 9.816 512 2HD2 ASN 67 2HD2 ASN 67 -14.478 4.015 9.000 513 H LEU 68 H LEU 68 -16.263 1.050 5.088 514 HA LEU 68 HA LEU 68 -14.632 -0.017 2.987 515 1HB LEU 68 2HB LEU 68 -16.889 1.974 2.998 516 2HB LEU 68 1HB LEU 68 -16.085 1.440 1.538 517 HG LEU 68 HG LEU 68 -17.671 -0.285 3.441 518 1HD1 LEU 68 1HD1 LEU 68 -19.195 -0.542 1.550 519 2HD1 LEU 68 2HD1 LEU 68 -18.202 0.563 0.598 520 3HD1 LEU 68 3HD1 LEU 68 -19.047 1.148 2.031 521 1HD2 LEU 68 1HD2 LEU 68 -15.777 -1.524 2.531 522 2HD2 LEU 68 2HD2 LEU 68 -16.237 -1.043 0.898 523 3HD2 LEU 68 3HD2 LEU 68 -17.297 -2.093 1.839 524 H GLY 69 H GLY 69 -14.416 2.755 4.930 525 1HA GLY 69 2HA GLY 69 -13.226 4.617 3.206 526 2HA GLY 69 1HA GLY 69 -12.909 4.497 4.934 527 H LEU 70 H LEU 70 -11.842 1.899 4.958 528 HA LEU 70 HA LEU 70 -9.153 2.329 4.193 529 1HB LEU 70 2HB LEU 70 -10.685 -0.088 5.136 530 2HB LEU 70 1HB LEU 70 -8.984 -0.183 4.712 531 HG LEU 70 HG LEU 70 -10.061 1.683 6.831 532 1HD1 LEU 70 1HD1 LEU 70 -8.815 -1.049 7.144 533 2HD1 LEU 70 2HD1 LEU 70 -10.499 -0.635 7.467 534 3HD1 LEU 70 3HD1 LEU 70 -9.215 0.062 8.455 535 1HD2 LEU 70 1HD2 LEU 70 -7.276 0.735 6.172 536 2HD2 LEU 70 2HD2 LEU 70 -7.717 1.775 7.526 537 3HD2 LEU 70 3HD2 LEU 70 -7.927 2.345 5.870 538 H ALA 71 H ALA 71 -11.854 0.662 2.722 539 HA ALA 71 HA ALA 71 -10.373 -0.730 0.740 540 1HB ALA 71 1HB ALA 71 -12.540 -1.129 -0.303 541 2HB ALA 71 2HB ALA 71 -13.282 0.049 0.780 542 3HB ALA 71 3HB ALA 71 -12.596 -1.440 1.431 543 H ALA 72 H ALA 72 -11.768 2.461 0.919 544 HA ALA 72 HA ALA 72 -11.955 3.132 -1.775 545 1HB ALA 72 1HB ALA 72 -11.287 4.940 0.551 546 2HB ALA 72 2HB ALA 72 -12.906 4.499 0.007 547 3HB ALA 72 3HB ALA 72 -11.861 5.466 -1.033 548 H MET 73 H MET 73 -9.167 3.445 0.420 549 HA MET 73 HA MET 73 -7.515 4.655 -1.578 550 1HB MET 73 2HB MET 73 -5.701 4.435 0.006 551 2HB MET 73 1HB MET 73 -7.138 5.026 0.828 552 1HG MET 73 2HG MET 73 -7.574 2.735 1.637 553 2HG MET 73 1HG MET 73 -6.063 2.218 0.889 554 1HE MET 73 1HE MET 73 -5.250 1.226 3.175 555 2HE MET 73 2HE MET 73 -6.722 1.751 3.991 556 3HE MET 73 3HE MET 73 -5.144 2.143 4.678 557 H VAL 74 H VAL 74 -8.227 1.386 -0.615 558 HA VAL 74 HA VAL 74 -6.003 0.083 -1.757 559 HB VAL 74 HB VAL 74 -8.825 -0.953 -1.396 560 1HG1 VAL 74 1HG1 VAL 74 -7.559 -2.276 -3.031 561 2HG1 VAL 74 2HG1 VAL 74 -7.859 -3.183 -1.549 562 3HG1 VAL 74 3HG1 VAL 74 -6.267 -2.487 -1.849 563 1HG2 VAL 74 1HG2 VAL 74 -7.937 -2.006 0.631 564 2HG2 VAL 74 2HG2 VAL 74 -7.803 -0.248 0.698 565 3HG2 VAL 74 3HG2 VAL 74 -6.379 -1.228 0.347 566 H ASP 75 H ASP 75 -9.115 1.090 -3.080 567 HA ASP 75 HA ASP 75 -9.005 -0.051 -5.609 568 1HB ASP 75 2HB ASP 75 -10.994 1.094 -4.903 569 2HB ASP 75 1HB ASP 75 -10.126 2.612 -4.717 570 H LYS 76 H LYS 76 -7.528 2.918 -4.422 571 HA LYS 76 HA LYS 76 -6.574 3.805 -6.943 572 1HB LYS 76 2HB LYS 76 -5.441 4.531 -4.238 573 2HB LYS 76 1HB LYS 76 -5.367 5.479 -5.720 574 1HG LYS 76 2HG LYS 76 -7.784 4.908 -4.020 575 2HG LYS 76 1HG LYS 76 -7.017 6.466 -4.329 576 1HD LYS 76 2HD LYS 76 -7.766 6.518 -6.558 577 2HD LYS 76 1HD LYS 76 -8.168 4.801 -6.545 578 1HE LYS 76 2HE LYS 76 -9.889 5.371 -4.768 579 2HE LYS 76 1HE LYS 76 -9.604 7.062 -5.187 580 1HZ LYS 76 1HZ LYS 76 -10.465 4.951 -7.087 581 2HZ LYS 76 2HZ LYS 76 -10.267 6.599 -7.442 582 3HZ LYS 76 3HZ LYS 76 -11.492 6.101 -6.382 583 H ILE 77 H ILE 77 -5.169 1.933 -4.310 584 HA ILE 77 HA ILE 77 -2.566 1.706 -5.357 585 HB ILE 77 HB ILE 77 -4.100 -0.203 -3.582 586 1HG1 ILE 77 2HG1 ILE 77 -3.779 2.014 -2.593 587 2HG1 ILE 77 1HG1 ILE 77 -2.789 0.814 -1.763 588 1HG2 ILE 77 1HG2 ILE 77 -1.148 -0.127 -4.196 589 2HG2 ILE 77 2HG2 ILE 77 -2.285 -1.387 -4.675 590 3HG2 ILE 77 3HG2 ILE 77 -1.912 -1.140 -2.969 591 1HD1 ILE 77 1HD1 ILE 77 -1.814 2.764 -3.844 592 2HD1 ILE 77 2HD1 ILE 77 -0.830 1.586 -2.973 593 3HD1 ILE 77 3HD1 ILE 77 -1.597 2.911 -2.099 594 H VAL 78 H VAL 78 -5.373 -0.463 -5.611 595 HA VAL 78 HA VAL 78 -4.161 -2.383 -7.264 596 HB VAL 78 HB VAL 78 -7.087 -1.651 -7.033 597 1HG1 VAL 78 1HG1 VAL 78 -6.635 -2.874 -9.103 598 2HG1 VAL 78 2HG1 VAL 78 -7.544 -3.862 -7.960 599 3HG1 VAL 78 3HG1 VAL 78 -5.816 -4.135 -8.180 600 1HG2 VAL 78 1HG2 VAL 78 -7.198 -3.604 -5.538 601 2HG2 VAL 78 2HG2 VAL 78 -6.114 -2.359 -4.915 602 3HG2 VAL 78 3HG2 VAL 78 -5.451 -3.801 -5.684 603 H ALA 79 H ALA 79 -6.035 0.520 -8.062 604 HA ALA 79 HA ALA 79 -6.175 0.140 -10.833 605 1HB ALA 79 1HB ALA 79 -7.479 1.828 -9.628 606 2HB ALA 79 2HB ALA 79 -6.596 2.528 -10.985 607 3HB ALA 79 3HB ALA 79 -6.005 2.753 -9.339 608 H HIS 80 H HIS 80 -3.726 1.797 -8.873 609 HA HIS 80 HA HIS 80 -2.153 2.600 -11.114 610 1HB HIS 80 2HB HIS 80 -2.227 3.294 -8.461 611 2HB HIS 80 1HB HIS 80 -0.748 2.341 -8.545 612 HD1 HIS 80 1HD HIS 80 1.195 3.858 -8.808 613 HD2 HIS 80 2HD HIS 80 -2.137 5.208 -10.917 614 HE1 HIS 80 1HE HIS 80 1.922 5.979 -9.965 615 HE2 HIS 80 2HE HIS 80 -0.075 6.724 -11.311 616 H ASN 81 H ASN 81 -2.152 -0.130 -8.928 617 HA ASN 81 HA ASN 81 0.303 -1.278 -9.765 618 1HB ASN 81 2HB ASN 81 -0.888 -1.787 -7.622 619 2HB ASN 81 1HB ASN 81 -2.093 -2.669 -8.553 620 1HD2 ASN 81 1HD2 ASN 81 -1.677 -4.607 -7.572 621 2HD2 ASN 81 2HD2 ASN 81 -0.221 -5.499 -7.833 622 H LEU 82 H LEU 82 -2.994 -1.522 -10.920 623 HA LEU 82 HA LEU 82 -2.936 -3.972 -12.200 624 1HB LEU 82 2HB LEU 82 -4.805 -2.118 -11.816 625 2HB LEU 82 1HB LEU 82 -4.413 -1.726 -13.476 626 HG LEU 82 HG LEU 82 -5.284 -4.471 -12.567 627 1HD1 LEU 82 1HD1 LEU 82 -7.459 -3.922 -13.522 628 2HD1 LEU 82 2HD1 LEU 82 -6.912 -2.276 -13.838 629 3HD1 LEU 82 3HD1 LEU 82 -7.062 -2.852 -12.177 630 1HD2 LEU 82 1HD2 LEU 82 -5.697 -4.847 -14.951 631 2HD2 LEU 82 2HD2 LEU 82 -4.001 -4.471 -14.642 632 3HD2 LEU 82 3HD2 LEU 82 -5.069 -3.239 -15.314 633 H SER 83 H SER 83 -1.846 -0.828 -13.420 634 HA SER 83 HA SER 83 -1.594 -1.666 -16.111 635 1HB SER 83 2HB SER 83 -0.183 0.409 -16.346 636 2HB SER 83 1HB SER 83 -1.786 0.679 -15.662 637 HG SER 83 HG SER 83 -0.357 1.773 -14.382 638 H LYS 84 H LYS 84 0.788 -1.330 -13.501 639 HA LYS 84 HA LYS 84 2.982 -2.199 -15.089 640 1HB LYS 84 2HB LYS 84 4.192 -2.371 -12.923 641 2HB LYS 84 1HB LYS 84 3.398 -0.821 -13.154 642 1HG LYS 84 2HG LYS 84 1.513 -1.682 -11.752 643 2HG LYS 84 1HG LYS 84 2.516 -3.085 -11.390 644 1HD LYS 84 2HD LYS 84 2.726 -1.482 -9.603 645 2HD LYS 84 1HD LYS 84 4.249 -1.563 -10.489 646 1HE LYS 84 2HE LYS 84 3.738 0.481 -11.656 647 2HE LYS 84 1HE LYS 84 2.125 0.532 -10.947 648 1HZ LYS 84 1HZ LYS 84 4.559 0.572 -9.260 649 2HZ LYS 84 2HZ LYS 84 2.989 1.065 -8.858 650 3HZ LYS 84 3HZ LYS 84 3.921 1.994 -9.918 651 H VAL 85 H VAL 85 0.524 -3.852 -13.285 652 HA VAL 85 HA VAL 85 1.860 -6.390 -13.178 653 HB VAL 85 HB VAL 85 -1.086 -5.722 -12.979 654 1HG1 VAL 85 1HG1 VAL 85 0.341 -8.315 -12.377 655 2HG1 VAL 85 2HG1 VAL 85 -0.787 -8.032 -13.703 656 3HG1 VAL 85 3HG1 VAL 85 -1.355 -7.972 -12.034 657 1HG2 VAL 85 1HG2 VAL 85 -0.749 -6.123 -10.569 658 2HG2 VAL 85 2HG2 VAL 85 0.225 -4.777 -11.162 659 3HG2 VAL 85 3HG2 VAL 85 0.976 -6.344 -10.861 660 H ARG 86 H ARG 86 -0.765 -5.095 -15.206 661 HA ARG 86 HA ARG 86 -0.930 -7.401 -16.825 662 1HB ARG 86 2HB ARG 86 -2.803 -5.857 -16.399 663 2HB ARG 86 1HB ARG 86 -1.961 -4.598 -17.288 664 1HG ARG 86 2HG ARG 86 -2.058 -5.958 -19.300 665 2HG ARG 86 1HG ARG 86 -2.895 -7.220 -18.399 666 1HD ARG 86 2HD ARG 86 -4.710 -5.583 -17.922 667 2HD ARG 86 1HD ARG 86 -3.888 -4.433 -18.978 668 HE ARG 86 HE ARG 86 -4.454 -6.990 -20.197 669 1HH1 ARG 86 1HH1 ARG 86 -5.642 -3.746 -19.601 670 2HH1 ARG 86 2HH1 ARG 86 -6.747 -3.783 -20.937 671 1HH2 ARG 86 1HH2 ARG 86 -5.909 -7.034 -21.930 672 2HH2 ARG 86 2HH2 ARG 86 -6.901 -5.640 -22.260 673 H LEU 87 H LEU 87 1.271 -4.854 -16.741 674 HA LEU 87 HA LEU 87 1.996 -4.536 -19.419 675 1HB LEU 87 2HB LEU 87 2.880 -3.055 -17.774 676 2HB LEU 87 1HB LEU 87 3.553 -4.376 -16.843 677 HG LEU 87 HG LEU 87 5.156 -4.804 -18.681 678 1HD1 LEU 87 1HD1 LEU 87 4.064 -2.233 -19.815 679 2HD1 LEU 87 2HD1 LEU 87 3.859 -3.838 -20.515 680 3HD1 LEU 87 3HD1 LEU 87 5.466 -3.119 -20.416 681 1HD2 LEU 87 1HD2 LEU 87 6.588 -2.891 -18.198 682 2HD2 LEU 87 2HD2 LEU 87 5.774 -3.456 -16.739 683 3HD2 LEU 87 3HD2 LEU 87 5.201 -2.006 -17.562 684 H GLU 88 H GLU 88 2.942 -6.912 -16.999 685 HA GLU 88 HA GLU 88 4.092 -8.854 -17.065 686 1HB GLU 88 2HB GLU 88 3.009 -8.899 -19.881 687 2HB GLU 88 1HB GLU 88 3.818 -10.257 -19.115 688 1HG GLU 88 2HG GLU 88 2.051 -10.117 -17.311 689 2HG GLU 88 1HG GLU 88 1.189 -9.014 -18.385 690 H HIS 89 H HIS 89 6.153 -8.045 -16.784 691 HA HIS 89 HA HIS 89 7.827 -8.276 -19.185 692 1HB HIS 89 2HB HIS 89 7.460 -5.848 -18.427 693 2HB HIS 89 1HB HIS 89 8.412 -6.268 -17.007 694 HD1 HIS 89 1HD HIS 89 10.932 -6.251 -17.265 695 HD2 HIS 89 2HD HIS 89 8.920 -5.985 -20.899 696 HE1 HIS 89 1HE HIS 89 12.701 -5.773 -18.988 697 HE2 HIS 89 2HE HIS 89 11.442 -5.453 -21.149 698 H HIS 90 H HIS 90 9.669 -9.451 -18.889 699 HA HIS 90 HA HIS 90 9.775 -11.162 -16.639 700 1HB HIS 90 2HB HIS 90 11.632 -10.681 -18.951 701 2HB HIS 90 1HB HIS 90 12.091 -11.756 -17.634 702 HD1 HIS 90 1HD HIS 90 11.685 -14.103 -18.277 703 HD2 HIS 90 2HD HIS 90 8.764 -11.566 -19.811 704 HE1 HIS 90 1HE HIS 90 10.077 -15.587 -19.520 705 HE2 HIS 90 2HE HIS 90 8.224 -14.055 -20.274 706 H HIS 91 H HIS 91 10.249 -10.534 -14.717 707 HA HIS 91 HA HIS 91 12.690 -9.008 -14.196 708 1HB HIS 91 2HB HIS 91 10.882 -7.336 -14.312 709 2HB HIS 91 1HB HIS 91 9.957 -8.246 -13.126 710 HD1 HIS 91 1HD HIS 91 12.971 -6.017 -13.434 711 HD2 HIS 91 2HD HIS 91 10.688 -7.845 -10.479 712 HE1 HIS 91 1HE HIS 91 13.688 -4.958 -11.270 713 HE2 HIS 91 2HE HIS 91 12.397 -6.181 -9.479 714 H HIS 92 H HIS 92 10.082 -11.076 -13.139 715 HA HIS 92 HA HIS 92 11.766 -12.598 -11.456 716 1HB HIS 92 2HB HIS 92 11.374 -10.574 -9.977 717 2HB HIS 92 1HB HIS 92 9.670 -11.020 -9.946 718 HD1 HIS 92 1HD HIS 92 9.091 -13.340 -8.743 719 HD2 HIS 92 2HD HIS 92 13.000 -11.993 -8.265 720 HE1 HIS 92 1HE HIS 92 10.044 -14.679 -6.840 721 HE2 HIS 92 2HE HIS 92 12.380 -13.782 -6.502 722 H HIS 93 H HIS 93 8.361 -11.566 -11.569 723 HA HIS 93 HA HIS 93 6.403 -12.717 -11.545 724 1HB HIS 93 2HB HIS 93 7.463 -13.306 -13.840 725 2HB HIS 93 1HB HIS 93 7.793 -14.879 -13.128 726 HD1 HIS 93 1HD HIS 93 5.061 -12.809 -14.564 727 HD2 HIS 93 2HD HIS 93 5.467 -16.464 -12.634 728 HE1 HIS 93 1HE HIS 93 2.883 -14.003 -14.913 729 HE2 HIS 93 2HE HIS 93 3.071 -16.094 -13.528 730 H HIS 94 H HIS 94 6.998 -15.891 -11.892 731 HA HIS 94 HA HIS 94 7.914 -16.617 -9.288 732 1HB HIS 94 2HB HIS 94 4.961 -16.572 -9.853 733 2HB HIS 94 1HB HIS 94 5.621 -17.866 -8.861 734 HD1 HIS 94 1HD HIS 94 7.409 -16.599 -6.931 735 HD2 HIS 94 2HD HIS 94 3.959 -14.672 -8.228 736 HE1 HIS 94 1HE HIS 94 6.852 -14.927 -5.141 737 HE2 HIS 94 2HE HIS 94 4.655 -13.926 -5.845 Start of MODEL 19 1 1H MET 1 1HT MET 1 -1.299 19.092 3.449 2 2H MET 1 2HT MET 1 -1.321 18.656 5.086 3 3H MET 1 3HT MET 1 -0.984 17.486 3.902 4 HA MET 1 HA MET 1 1.046 18.648 3.315 5 1HB MET 1 2HB MET 1 0.267 20.898 4.026 6 2HB MET 1 1HB MET 1 0.374 20.383 5.702 7 1HG MET 1 2HG MET 1 2.775 20.059 5.456 8 2HG MET 1 1HG MET 1 2.672 20.559 3.769 9 1HE MET 1 1HE MET 1 4.479 22.438 4.015 10 2HE MET 1 2HE MET 1 4.731 21.885 5.671 11 3HE MET 1 3HE MET 1 4.505 23.604 5.341 12 H TYR 2 H TYR 2 2.299 16.998 3.816 13 HA TYR 2 HA TYR 2 2.296 16.018 6.593 14 1HB TYR 2 2HB TYR 2 1.740 14.639 4.318 15 2HB TYR 2 1HB TYR 2 3.451 14.302 4.498 16 HD1 TYR 2 2HD TYR 2 0.438 14.462 6.715 17 HD2 TYR 2 1HD TYR 2 3.932 12.316 5.574 18 HE1 TYR 2 2HE TYR 2 -0.108 12.714 8.354 19 HE2 TYR 2 1HE TYR 2 3.388 10.555 7.207 20 HH TYR 2 HH TYR 2 0.373 10.321 8.726 21 H THR 3 H THR 3 4.026 16.541 7.691 22 HA THR 3 HA THR 3 6.187 17.920 6.465 23 HB THR 3 HB THR 3 7.077 18.101 8.775 24 HG1 THR 3 1HG THR 3 5.577 17.277 10.447 25 1HG2 THR 3 1HG2 THR 3 4.136 18.720 8.478 26 2HG2 THR 3 2HG2 THR 3 5.476 19.757 7.988 27 3HG2 THR 3 3HG2 THR 3 5.207 19.413 9.696 28 H ALA 4 H ALA 4 8.470 17.433 7.114 29 HA ALA 4 HA ALA 4 9.268 14.896 6.158 30 1HB ALA 4 1HB ALA 4 11.526 15.599 6.726 31 2HB ALA 4 2HB ALA 4 10.880 16.932 7.684 32 3HB ALA 4 3HB ALA 4 10.643 16.906 5.937 33 H GLU 5 H GLU 5 8.772 16.209 9.358 34 HA GLU 5 HA GLU 5 9.907 14.126 10.880 35 1HB GLU 5 2HB GLU 5 7.567 15.934 11.524 36 2HB GLU 5 1HB GLU 5 8.467 14.977 12.688 37 1HG GLU 5 2HG GLU 5 10.357 16.306 12.520 38 2HG GLU 5 1HG GLU 5 9.857 16.989 10.974 39 H GLN 6 H GLN 6 6.686 14.647 9.545 40 HA GLN 6 HA GLN 6 5.545 12.266 10.579 41 1HB GLN 6 2HB GLN 6 4.720 14.094 8.328 42 2HB GLN 6 1HB GLN 6 3.766 12.711 8.845 43 1HG GLN 6 2HG GLN 6 4.550 15.018 10.613 44 2HG GLN 6 1HG GLN 6 2.990 14.837 9.811 45 1HE2 GLN 6 1HE2 GLN 6 1.532 13.323 10.560 46 2HE2 GLN 6 2HE2 GLN 6 1.711 12.529 12.088 47 H LYS 7 H LYS 7 7.342 13.009 7.658 48 HA LYS 7 HA LYS 7 6.791 10.735 6.143 49 1HB LYS 7 2HB LYS 7 9.441 12.169 6.408 50 2HB LYS 7 1HB LYS 7 9.038 11.019 5.147 51 1HG LYS 7 2HG LYS 7 7.779 13.712 5.592 52 2HG LYS 7 1HG LYS 7 8.888 13.262 4.299 53 1HD LYS 7 2HD LYS 7 7.081 11.474 3.738 54 2HD LYS 7 1HD LYS 7 6.018 12.511 4.691 55 1HE LYS 7 2HE LYS 7 7.523 13.202 2.179 56 2HE LYS 7 1HE LYS 7 5.779 13.189 2.431 57 1HZ LYS 7 1HZ LYS 7 6.024 15.065 3.948 58 2HZ LYS 7 2HZ LYS 7 6.655 15.438 2.418 59 3HZ LYS 7 3HZ LYS 7 7.702 15.068 3.697 60 H ALA 8 H ALA 8 9.022 11.210 8.813 61 HA ALA 8 HA ALA 8 10.354 8.744 8.701 62 1HB ALA 8 1HB ALA 8 9.772 10.432 11.135 63 2HB ALA 8 2HB ALA 8 11.138 10.643 10.038 64 3HB ALA 8 3HB ALA 8 11.002 9.173 11.003 65 H ARG 9 H ARG 9 7.305 9.694 10.148 66 HA ARG 9 HA ARG 9 6.868 7.438 11.762 67 1HB ARG 9 2HB ARG 9 4.887 9.261 10.379 68 2HB ARG 9 1HB ARG 9 4.451 8.066 11.592 69 1HG ARG 9 2HG ARG 9 6.361 10.341 12.080 70 2HG ARG 9 1HG ARG 9 4.639 10.387 12.459 71 1HD ARG 9 2HD ARG 9 4.949 8.419 13.922 72 2HD ARG 9 1HD ARG 9 6.679 8.478 13.591 73 HE ARG 9 HE ARG 9 6.482 10.839 14.575 74 1HH1 ARG 9 1HH1 ARG 9 4.463 8.157 15.539 75 2HH1 ARG 9 2HH1 ARG 9 4.319 8.674 17.192 76 1HH2 ARG 9 1HH2 ARG 9 6.289 11.554 16.746 77 2HH2 ARG 9 2HH2 ARG 9 5.331 10.629 17.869 78 H ILE 10 H ILE 10 6.277 8.042 8.365 79 HA ILE 10 HA ILE 10 4.747 5.687 7.894 80 HB ILE 10 HB ILE 10 6.355 7.299 5.901 81 1HG1 ILE 10 2HG1 ILE 10 3.433 7.569 6.630 82 2HG1 ILE 10 1HG1 ILE 10 4.704 8.650 7.193 83 1HG2 ILE 10 1HG2 ILE 10 4.059 5.383 5.528 84 2HG2 ILE 10 2HG2 ILE 10 5.731 5.131 5.027 85 3HG2 ILE 10 3HG2 ILE 10 4.757 6.384 4.256 86 1HD1 ILE 10 1HD1 ILE 10 3.491 9.614 5.322 87 2HD1 ILE 10 2HD1 ILE 10 3.895 8.216 4.326 88 3HD1 ILE 10 3HD1 ILE 10 5.170 9.297 4.886 89 H LYS 11 H LYS 11 8.152 6.547 7.410 90 HA LYS 11 HA LYS 11 8.926 4.100 6.228 91 1HB LYS 11 2HB LYS 11 10.155 6.340 6.186 92 2HB LYS 11 1HB LYS 11 10.728 5.949 7.798 93 1HG LYS 11 2HG LYS 11 11.199 4.082 5.500 94 2HG LYS 11 1HG LYS 11 12.252 5.464 5.789 95 1HD LYS 11 2HD LYS 11 11.663 3.280 7.785 96 2HD LYS 11 1HD LYS 11 13.117 3.385 6.792 97 1HE LYS 11 2HE LYS 11 13.639 5.556 7.828 98 2HE LYS 11 1HE LYS 11 12.212 5.397 8.848 99 1HZ LYS 11 1HZ LYS 11 14.502 3.507 8.832 100 2HZ LYS 11 2HZ LYS 11 13.165 3.456 9.873 101 3HZ LYS 11 3HZ LYS 11 14.272 4.738 9.976 102 H TRP 12 H TRP 12 8.859 5.220 9.573 103 HA TRP 12 HA TRP 12 10.194 2.937 10.626 104 1HB TRP 12 2HB TRP 12 8.588 5.152 11.845 105 2HB TRP 12 1HB TRP 12 9.089 3.776 12.813 106 HD1 TRP 12 HD TRP 12 10.870 6.295 10.429 107 HE1 TRP 12 1HE TRP 12 13.137 6.897 11.494 108 HE3 TRP 12 3HE TRP 12 10.582 3.355 14.576 109 HZ2 TRP 12 2HZ TRP 12 14.603 6.197 13.824 110 HZ3 TRP 12 3HZ TRP 12 12.447 3.370 16.181 111 HH2 TRP 12 HH TRP 12 14.416 4.764 15.812 112 H ALA 13 H ALA 13 6.953 3.489 9.619 113 HA ALA 13 HA ALA 13 5.954 1.315 11.304 114 1HB ALA 13 1HB ALA 13 4.410 3.244 9.580 115 2HB ALA 13 2HB ALA 13 4.714 3.435 11.307 116 3HB ALA 13 3HB ALA 13 3.736 2.087 10.727 117 H CYS 14 H CYS 14 6.873 1.911 8.017 118 HA CYS 14 HA CYS 14 5.095 0.012 6.832 119 1HB CYS 14 2HB CYS 14 6.453 0.282 4.810 120 2HB CYS 14 1HB CYS 14 6.032 1.839 5.515 121 HG CYS 14 HG CYS 14 9.058 0.365 5.198 122 H ARG 15 H ARG 15 8.220 -0.197 8.326 123 HA ARG 15 HA ARG 15 8.748 -2.829 7.293 124 1HB ARG 15 2HB ARG 15 10.598 -2.768 9.081 125 2HB ARG 15 1HB ARG 15 10.720 -1.684 7.709 126 1HG ARG 15 2HG ARG 15 11.243 -0.216 9.339 127 2HG ARG 15 1HG ARG 15 9.492 -0.035 9.397 128 1HD ARG 15 2HD ARG 15 10.910 -2.032 11.130 129 2HD ARG 15 1HD ARG 15 10.792 -0.339 11.603 130 HE ARG 15 HE ARG 15 8.237 -1.358 10.914 131 1HH1 ARG 15 1HH1 ARG 15 10.654 -1.512 13.457 132 2HH1 ARG 15 2HH1 ARG 15 9.484 -1.815 14.708 133 1HH2 ARG 15 1HH2 ARG 15 6.709 -1.756 12.566 134 2HH2 ARG 15 2HH2 ARG 15 7.256 -1.973 14.199 135 H ARG 16 H ARG 16 9.248 -4.620 8.869 136 HA ARG 16 HA ARG 16 8.613 -6.139 10.440 137 1HB ARG 16 2HB ARG 16 8.600 -4.165 12.031 138 2HB ARG 16 1HB ARG 16 6.877 -4.023 11.718 139 1HG ARG 16 2HG ARG 16 6.810 -5.279 13.606 140 2HG ARG 16 1HG ARG 16 6.910 -6.577 12.414 141 1HD ARG 16 2HD ARG 16 9.220 -5.386 13.942 142 2HD ARG 16 1HD ARG 16 8.461 -6.942 14.266 143 HE ARG 16 HE ARG 16 9.251 -7.607 11.994 144 1HH1 ARG 16 1HH1 ARG 16 10.837 -4.998 13.720 145 2HH1 ARG 16 2HH1 ARG 16 12.372 -5.251 12.942 146 1HH2 ARG 16 1HH2 ARG 16 11.281 -7.970 11.001 147 2HH2 ARG 16 2HH2 ARG 16 12.636 -6.953 11.409 148 H GLY 17 H GLY 17 6.822 -7.541 10.885 149 1HA GLY 17 2HA GLY 17 4.618 -8.318 10.596 150 2HA GLY 17 1HA GLY 17 4.298 -6.947 9.538 151 H MET 18 H MET 18 5.675 -6.939 7.527 152 HA MET 18 HA MET 18 6.474 -9.583 6.594 153 1HB MET 18 2HB MET 18 4.085 -9.216 5.881 154 2HB MET 18 1HB MET 18 4.638 -7.828 4.955 155 1HG MET 18 2HG MET 18 4.614 -9.404 3.322 156 2HG MET 18 1HG MET 18 6.269 -9.589 3.894 157 1HE MET 18 1HE MET 18 5.956 -12.842 6.118 158 2HE MET 18 2HE MET 18 5.824 -11.172 6.667 159 3HE MET 18 3HE MET 18 7.061 -11.620 5.491 160 H LEU 19 H LEU 19 8.580 -9.029 6.458 161 HA LEU 19 HA LEU 19 9.534 -6.456 5.940 162 1HB LEU 19 2HB LEU 19 10.937 -9.111 5.705 163 2HB LEU 19 1HB LEU 19 11.732 -7.552 5.731 164 HG LEU 19 HG LEU 19 10.168 -8.814 7.981 165 1HD1 LEU 19 1HD1 LEU 19 12.319 -8.761 9.149 166 2HD1 LEU 19 2HD1 LEU 19 13.090 -8.114 7.700 167 3HD1 LEU 19 3HD1 LEU 19 12.398 -9.737 7.683 168 1HD2 LEU 19 1HD2 LEU 19 9.762 -6.414 7.919 169 2HD2 LEU 19 2HD2 LEU 19 11.499 -6.112 7.860 170 3HD2 LEU 19 3HD2 LEU 19 10.780 -6.847 9.292 171 H GLU 20 H GLU 20 8.830 -9.094 3.758 172 HA GLU 20 HA GLU 20 10.279 -8.136 1.526 173 1HB GLU 20 2HB GLU 20 9.351 -10.450 1.793 174 2HB GLU 20 1HB GLU 20 7.752 -9.791 1.474 175 1HG GLU 20 2HG GLU 20 8.500 -9.052 -0.732 176 2HG GLU 20 1HG GLU 20 10.098 -9.725 -0.412 177 H LEU 21 H LEU 21 7.166 -7.273 2.853 178 HA LEU 21 HA LEU 21 6.169 -6.020 0.485 179 1HB LEU 21 2HB LEU 21 5.336 -5.824 3.373 180 2HB LEU 21 1HB LEU 21 4.534 -4.945 2.088 181 HG LEU 21 HG LEU 21 4.721 -7.953 2.288 182 1HD1 LEU 21 1HD1 LEU 21 2.327 -7.834 2.765 183 2HD1 LEU 21 2HD1 LEU 21 2.413 -6.073 2.763 184 3HD1 LEU 21 3HD1 LEU 21 3.275 -6.997 3.994 185 1HD2 LEU 21 1HD2 LEU 21 3.261 -6.174 0.335 186 2HD2 LEU 21 2HD2 LEU 21 3.072 -7.924 0.455 187 3HD2 LEU 21 3HD2 LEU 21 4.625 -7.235 -0.025 188 H ASP 22 H ASP 22 8.055 -4.959 3.241 189 HA ASP 22 HA ASP 22 7.786 -2.222 3.133 190 1HB ASP 22 2HB ASP 22 9.048 -3.175 4.904 191 2HB ASP 22 1HB ASP 22 10.175 -3.940 3.788 192 H VAL 23 H VAL 23 9.714 -4.310 1.091 193 HA VAL 23 HA VAL 23 11.313 -2.377 -0.153 194 HB VAL 23 HB VAL 23 10.334 -4.965 -1.359 195 1HG1 VAL 23 1HG1 VAL 23 12.458 -4.894 -2.620 196 2HG1 VAL 23 2HG1 VAL 23 12.800 -3.313 -1.917 197 3HG1 VAL 23 3HG1 VAL 23 11.415 -3.520 -2.989 198 1HG2 VAL 23 1HG2 VAL 23 12.718 -4.455 0.412 199 2HG2 VAL 23 2HG2 VAL 23 12.375 -5.965 -0.430 200 3HG2 VAL 23 3HG2 VAL 23 11.282 -5.393 0.829 201 H VAL 24 H VAL 24 7.997 -3.371 -0.773 202 HA VAL 24 HA VAL 24 8.012 -1.749 -3.220 203 HB VAL 24 HB VAL 24 5.913 -2.893 -3.847 204 1HG1 VAL 24 1HG1 VAL 24 6.924 -5.035 -4.410 205 2HG1 VAL 24 2HG1 VAL 24 8.202 -4.754 -3.228 206 3HG1 VAL 24 3HG1 VAL 24 8.071 -3.716 -4.648 207 1HG2 VAL 24 1HG2 VAL 24 5.231 -4.920 -2.637 208 2HG2 VAL 24 2HG2 VAL 24 5.081 -3.479 -1.634 209 3HG2 VAL 24 3HG2 VAL 24 6.439 -4.579 -1.397 210 H ILE 25 H ILE 25 6.672 -1.913 -0.030 211 HA ILE 25 HA ILE 25 4.322 -0.437 -0.377 212 HB ILE 25 HB ILE 25 6.144 -0.654 2.019 213 1HG1 ILE 25 2HG1 ILE 25 5.045 -2.732 1.384 214 2HG1 ILE 25 1HG1 ILE 25 4.341 -2.119 2.876 215 1HG2 ILE 25 1HG2 ILE 25 4.938 1.444 2.203 216 2HG2 ILE 25 2HG2 ILE 25 4.302 0.273 3.360 217 3HG2 ILE 25 3HG2 ILE 25 3.412 0.622 1.877 218 1HD1 ILE 25 1HD1 ILE 25 2.627 -2.981 1.403 219 2HD1 ILE 25 2HD1 ILE 25 3.150 -1.885 0.126 220 3HD1 ILE 25 3HD1 ILE 25 2.441 -1.238 1.605 221 H MET 26 H MET 26 7.615 0.705 0.371 222 HA MET 26 HA MET 26 6.925 3.407 0.668 223 1HB MET 26 2HB MET 26 9.571 2.186 -0.125 224 2HB MET 26 1HB MET 26 9.345 3.880 0.289 225 1HG MET 26 2HG MET 26 8.494 3.133 2.519 226 2HG MET 26 1HG MET 26 8.971 1.494 2.081 227 1HE MET 26 1HE MET 26 10.194 5.132 2.901 228 2HE MET 26 2HE MET 26 10.746 4.900 1.242 229 3HE MET 26 3HE MET 26 11.920 5.015 2.554 230 HA PRO 27 HA PRO 27 8.135 3.971 -4.080 231 1HB PRO 27 2HB PRO 27 7.408 1.211 -4.937 232 2HB PRO 27 1HB PRO 27 8.642 2.304 -5.578 233 1HG PRO 27 2HG PRO 27 9.340 0.253 -4.051 234 2HG PRO 27 1HG PRO 27 10.138 1.827 -3.865 235 1HD PRO 27 2HD PRO 27 8.039 0.553 -2.158 236 2HD PRO 27 1HD PRO 27 9.445 1.525 -1.678 237 H PHE 28 H PHE 28 5.632 1.577 -3.180 238 HA PHE 28 HA PHE 28 3.690 2.488 -5.005 239 1HB PHE 28 2HB PHE 28 3.479 0.943 -2.434 240 2HB PHE 28 1HB PHE 28 2.040 1.436 -3.319 241 HD1 PHE 28 1HD PHE 28 3.250 1.095 -6.106 242 HD2 PHE 28 2HD PHE 28 3.200 -1.391 -2.655 243 HE1 PHE 28 1HE PHE 28 3.443 -0.892 -7.542 244 HE2 PHE 28 2HE PHE 28 3.401 -3.386 -4.082 245 HZ PHE 28 HZ PHE 28 3.522 -3.137 -6.532 246 H PHE 29 H PHE 29 4.472 3.515 -1.713 247 HA PHE 29 HA PHE 29 2.259 5.209 -1.328 248 1HB PHE 29 2HB PHE 29 3.768 4.592 0.512 249 2HB PHE 29 1HB PHE 29 5.062 5.528 -0.230 250 HD1 PHE 29 2HD PHE 29 1.667 5.819 1.228 251 HD2 PHE 29 1HD PHE 29 5.288 7.807 0.221 252 HE1 PHE 29 2HE PHE 29 0.898 7.825 2.432 253 HE2 PHE 29 1HE PHE 29 4.528 9.813 1.417 254 HZ PHE 29 HZ PHE 29 2.332 9.827 2.523 255 H GLU 30 H GLU 30 5.366 5.764 -2.893 256 HA GLU 30 HA GLU 30 5.124 8.519 -3.343 257 1HB GLU 30 2HB GLU 30 6.401 6.467 -5.164 258 2HB GLU 30 1HB GLU 30 6.742 8.192 -5.139 259 1HG GLU 30 2HG GLU 30 7.524 7.917 -2.799 260 2HG GLU 30 1HG GLU 30 7.361 6.179 -3.001 261 H GLU 31 H GLU 31 4.112 5.758 -5.230 262 HA GLU 31 HA GLU 31 3.070 7.171 -7.442 263 1HB GLU 31 2HB GLU 31 2.386 4.414 -6.410 264 2HB GLU 31 1HB GLU 31 1.958 5.036 -7.996 265 1HG GLU 31 2HG GLU 31 4.783 4.715 -7.005 266 2HG GLU 31 1HG GLU 31 3.924 3.534 -7.995 267 H CYS 32 H CYS 32 1.424 5.730 -4.610 268 HA CYS 32 HA CYS 32 -1.156 6.519 -5.559 269 1HB CYS 32 2HB CYS 32 -1.965 5.730 -3.342 270 2HB CYS 32 1HB CYS 32 -0.985 4.540 -4.190 271 HG CYS 32 HG CYS 32 1.235 4.788 -2.630 272 H PHE 33 H PHE 33 1.252 8.001 -3.578 273 HA PHE 33 HA PHE 33 -0.188 9.840 -2.101 274 1HB PHE 33 2HB PHE 33 2.107 9.745 -1.662 275 2HB PHE 33 1HB PHE 33 2.542 9.906 -3.357 276 HD1 PHE 33 1HD PHE 33 1.040 11.794 -0.521 277 HD2 PHE 33 2HD PHE 33 3.176 11.972 -4.196 278 HE1 PHE 33 1HE PHE 33 1.404 14.205 -0.190 279 HE2 PHE 33 2HE PHE 33 3.547 14.380 -3.869 280 HZ PHE 33 HZ PHE 33 2.660 15.502 -1.865 281 H ASP 34 H ASP 34 0.637 9.915 -5.507 282 HA ASP 34 HA ASP 34 -0.048 12.593 -6.031 283 1HB ASP 34 2HB ASP 34 1.243 11.197 -7.595 284 2HB ASP 34 1HB ASP 34 -0.184 10.206 -7.887 285 H SER 35 H SER 35 -2.020 9.833 -5.406 286 HA SER 35 HA SER 35 -4.366 11.199 -6.551 287 1HB SER 35 2HB SER 35 -4.064 8.247 -5.983 288 2HB SER 35 1HB SER 35 -5.362 9.032 -6.883 289 HG SER 35 HG SER 35 -3.654 9.736 -8.370 290 H LEU 36 H LEU 36 -2.917 10.508 -3.627 291 HA LEU 36 HA LEU 36 -5.506 10.242 -2.241 292 1HB LEU 36 2HB LEU 36 -2.774 9.467 -1.217 293 2HB LEU 36 1HB LEU 36 -4.299 9.232 -0.387 294 HG LEU 36 HG LEU 36 -3.416 7.854 -2.923 295 1HD1 LEU 36 1HD1 LEU 36 -3.826 6.831 -0.119 296 2HD1 LEU 36 2HD1 LEU 36 -2.283 7.029 -0.950 297 3HD1 LEU 36 3HD1 LEU 36 -3.450 5.839 -1.528 298 1HD2 LEU 36 1HD2 LEU 36 -5.470 6.554 -2.740 299 2HD2 LEU 36 2HD2 LEU 36 -5.831 8.270 -2.932 300 3HD2 LEU 36 3HD2 LEU 36 -5.966 7.513 -1.345 301 H THR 37 H THR 37 -5.801 11.375 -0.257 302 HA THR 37 HA THR 37 -4.077 13.753 0.001 303 HB THR 37 HB THR 37 -6.055 14.887 1.028 304 HG1 THR 37 1HG THR 37 -7.314 12.452 0.241 305 1HG2 THR 37 1HG2 THR 37 -7.249 15.272 -1.084 306 2HG2 THR 37 2HG2 THR 37 -6.453 13.861 -1.784 307 3HG2 THR 37 3HG2 THR 37 -5.501 15.268 -1.313 308 H GLU 38 H GLU 38 -4.832 14.690 2.443 309 HA GLU 38 HA GLU 38 -3.232 13.227 4.195 310 1HB GLU 38 2HB GLU 38 -5.462 15.154 4.885 311 2HB GLU 38 1HB GLU 38 -4.174 14.649 5.967 312 1HG GLU 38 2HG GLU 38 -3.773 16.159 3.395 313 2HG GLU 38 1HG GLU 38 -3.837 16.888 4.998 314 H SER 39 H SER 39 -6.746 13.186 3.789 315 HA SER 39 HA SER 39 -7.411 11.641 6.011 316 1HB SER 39 2HB SER 39 -9.409 10.992 4.492 317 2HB SER 39 1HB SER 39 -9.204 12.684 4.939 318 HG SER 39 HG SER 39 -8.920 11.428 2.472 319 H GLU 40 H GLU 40 -6.772 10.600 2.659 320 HA GLU 40 HA GLU 40 -6.983 7.830 3.207 321 1HB GLU 40 2HB GLU 40 -5.530 9.293 0.996 322 2HB GLU 40 1HB GLU 40 -5.691 7.547 1.067 323 1HG GLU 40 2HG GLU 40 -7.359 8.235 -0.401 324 2HG GLU 40 1HG GLU 40 -8.204 7.944 1.118 325 H GLN 41 H GLN 41 -4.315 10.111 3.253 326 HA GLN 41 HA GLN 41 -2.214 8.297 3.637 327 1HB GLN 41 2HB GLN 41 -2.609 11.193 4.303 328 2HB GLN 41 1HB GLN 41 -1.139 10.369 4.786 329 1HG GLN 41 2HG GLN 41 -0.721 9.778 2.439 330 2HG GLN 41 1HG GLN 41 -2.178 10.656 1.978 331 1HE2 GLN 41 1HE2 GLN 41 0.617 11.093 1.225 332 2HE2 GLN 41 2HE2 GLN 41 0.969 12.728 1.670 333 H ASP 42 H ASP 42 -4.354 9.892 5.969 334 HA ASP 42 HA ASP 42 -3.018 8.965 8.284 335 1HB ASP 42 2HB ASP 42 -4.653 10.846 8.271 336 2HB ASP 42 1HB ASP 42 -5.944 9.680 8.009 337 H ASP 43 H ASP 43 -5.794 7.689 6.467 338 HA ASP 43 HA ASP 43 -6.299 5.451 8.077 339 1HB ASP 43 2HB ASP 43 -6.794 6.068 5.181 340 2HB ASP 43 1HB ASP 43 -7.112 4.454 5.798 341 H PHE 44 H PHE 44 -4.071 5.918 5.390 342 HA PHE 44 HA PHE 44 -3.158 3.263 5.173 343 1HB PHE 44 2HB PHE 44 -2.787 5.036 3.474 344 2HB PHE 44 1HB PHE 44 -1.657 5.822 4.569 345 HD1 PHE 44 2HD PHE 44 -2.241 2.599 2.807 346 HD2 PHE 44 1HD PHE 44 0.595 5.289 4.489 347 HE1 PHE 44 2HE PHE 44 -0.409 1.233 1.897 348 HE2 PHE 44 1HE PHE 44 2.433 3.929 3.575 349 HZ PHE 44 HZ PHE 44 1.930 1.897 2.279 350 H VAL 45 H VAL 45 -1.821 6.042 6.952 351 HA VAL 45 HA VAL 45 0.353 4.665 8.099 352 HB VAL 45 HB VAL 45 -1.117 7.089 9.164 353 1HG1 VAL 45 1HG1 VAL 45 1.615 6.018 9.869 354 2HG1 VAL 45 2HG1 VAL 45 0.196 6.012 10.918 355 3HG1 VAL 45 3HG1 VAL 45 0.925 7.541 10.428 356 1HG2 VAL 45 1HG2 VAL 45 0.696 8.364 8.133 357 2HG2 VAL 45 2HG2 VAL 45 -0.180 7.421 6.927 358 3HG2 VAL 45 3HG2 VAL 45 1.394 6.872 7.501 359 H ALA 46 H ALA 46 -2.991 5.059 9.161 360 HA ALA 46 HA ALA 46 -2.735 3.959 11.735 361 1HB ALA 46 1HB ALA 46 -4.729 5.134 10.948 362 2HB ALA 46 2HB ALA 46 -5.130 3.548 11.604 363 3HB ALA 46 3HB ALA 46 -5.090 3.797 9.857 364 H LEU 47 H LEU 47 -3.129 2.479 8.575 365 HA LEU 47 HA LEU 47 -3.458 -0.185 9.479 366 1HB LEU 47 2HB LEU 47 -2.663 1.064 6.878 367 2HB LEU 47 1HB LEU 47 -2.568 -0.670 7.081 368 HG LEU 47 HG LEU 47 -5.053 1.031 7.284 369 1HD1 LEU 47 1HD1 LEU 47 -5.758 -0.200 5.309 370 2HD1 LEU 47 2HD1 LEU 47 -4.242 -1.100 5.308 371 3HD1 LEU 47 3HD1 LEU 47 -4.236 0.637 5.002 372 1HD2 LEU 47 1HD2 LEU 47 -4.721 -1.947 7.634 373 2HD2 LEU 47 2HD2 LEU 47 -6.253 -1.076 7.593 374 3HD2 LEU 47 3HD2 LEU 47 -5.113 -0.793 8.908 375 H LEU 48 H LEU 48 -0.646 1.785 8.723 376 HA LEU 48 HA LEU 48 1.244 -0.314 8.639 377 1HB LEU 48 2HB LEU 48 1.633 2.608 9.273 378 2HB LEU 48 1HB LEU 48 2.921 1.475 8.908 379 HG LEU 48 HG LEU 48 0.714 2.275 7.007 380 1HD1 LEU 48 1HD1 LEU 48 3.631 3.037 7.071 381 2HD1 LEU 48 2HD1 LEU 48 2.269 4.100 7.434 382 3HD1 LEU 48 3HD1 LEU 48 2.480 3.458 5.805 383 1HD2 LEU 48 1HD2 LEU 48 1.503 -0.001 6.610 384 2HD2 LEU 48 2HD2 LEU 48 3.171 0.573 6.579 385 3HD2 LEU 48 3HD2 LEU 48 2.038 1.084 5.328 386 H GLU 49 H GLU 49 -0.263 1.335 11.259 387 HA GLU 49 HA GLU 49 1.670 0.648 13.253 388 1HB GLU 49 2HB GLU 49 -1.157 1.662 13.344 389 2HB GLU 49 1HB GLU 49 -0.332 1.150 14.811 390 1HG GLU 49 2HG GLU 49 0.695 3.259 12.928 391 2HG GLU 49 1HG GLU 49 -0.220 3.582 14.402 392 H SER 50 H SER 50 -0.622 -1.117 11.544 393 HA SER 50 HA SER 50 -0.573 -3.259 13.568 394 1HB SER 50 2HB SER 50 -2.800 -2.739 11.579 395 2HB SER 50 1HB SER 50 -2.798 -3.918 12.889 396 HG SER 50 HG SER 50 -2.459 -1.173 13.416 397 H ASP 51 H ASP 51 -1.584 -5.305 12.052 398 HA ASP 51 HA ASP 51 0.459 -5.840 10.099 399 1HB ASP 51 2HB ASP 51 -2.021 -7.429 10.822 400 2HB ASP 51 1HB ASP 51 -0.711 -7.998 9.797 401 H ASP 52 H ASP 52 -0.664 -7.044 8.002 402 HA ASP 52 HA ASP 52 -2.471 -5.008 6.852 403 1HB ASP 52 2HB ASP 52 -1.372 -5.416 4.700 404 2HB ASP 52 1HB ASP 52 -0.188 -4.946 5.916 405 HA PRO 53 HA PRO 53 -4.078 -9.477 6.663 406 1HB PRO 53 2HB PRO 53 -6.427 -9.188 8.007 407 2HB PRO 53 1HB PRO 53 -4.897 -9.576 8.801 408 1HG PRO 53 2HG PRO 53 -6.318 -6.957 8.592 409 2HG PRO 53 1HG PRO 53 -5.428 -7.645 9.962 410 1HD PRO 53 2HD PRO 53 -4.410 -5.741 8.291 411 2HD PRO 53 1HD PRO 53 -3.411 -6.914 9.169 412 H ASP 54 H ASP 54 -6.398 -6.747 6.651 413 HA ASP 54 HA ASP 54 -8.008 -7.924 4.619 414 1HB ASP 54 2HB ASP 54 -9.170 -5.734 4.588 415 2HB ASP 54 1HB ASP 54 -9.004 -6.394 6.210 416 H LEU 55 H LEU 55 -5.394 -5.585 4.641 417 HA LEU 55 HA LEU 55 -5.605 -4.721 1.971 418 1HB LEU 55 2HB LEU 55 -4.188 -3.760 3.867 419 2HB LEU 55 1HB LEU 55 -3.037 -5.031 3.525 420 HG LEU 55 HG LEU 55 -3.875 -3.051 1.415 421 1HD1 LEU 55 1HD1 LEU 55 -3.015 -1.798 3.319 422 2HD1 LEU 55 2HD1 LEU 55 -1.880 -1.765 1.969 423 3HD1 LEU 55 3HD1 LEU 55 -1.577 -2.819 3.350 424 1HD2 LEU 55 1HD2 LEU 55 -1.432 -4.788 1.753 425 2HD2 LEU 55 2HD2 LEU 55 -1.707 -3.647 0.438 426 3HD2 LEU 55 3HD2 LEU 55 -2.752 -5.057 0.615 427 H PHE 56 H PHE 56 -3.638 -7.297 3.445 428 HA PHE 56 HA PHE 56 -2.494 -8.301 1.090 429 1HB PHE 56 2HB PHE 56 -1.952 -8.838 3.569 430 2HB PHE 56 1HB PHE 56 -3.242 -10.023 3.450 431 HD1 PHE 56 1HD PHE 56 -0.011 -9.021 1.959 432 HD2 PHE 56 2HD PHE 56 -2.853 -12.132 2.549 433 HE1 PHE 56 1HE PHE 56 1.584 -10.649 1.028 434 HE2 PHE 56 2HE PHE 56 -1.268 -13.766 1.622 435 HZ PHE 56 HZ PHE 56 0.954 -13.025 0.861 436 H ALA 57 H ALA 57 -5.538 -8.951 2.701 437 HA ALA 57 HA ALA 57 -6.312 -11.262 1.333 438 1HB ALA 57 1HB ALA 57 -8.076 -9.130 2.520 439 2HB ALA 57 2HB ALA 57 -7.362 -10.482 3.399 440 3HB ALA 57 3HB ALA 57 -8.552 -10.783 2.133 441 H TRP 58 H TRP 58 -6.962 -7.845 0.587 442 HA TRP 58 HA TRP 58 -8.608 -8.472 -1.663 443 1HB TRP 58 2HB TRP 58 -7.356 -5.922 -0.674 444 2HB TRP 58 1HB TRP 58 -8.234 -5.985 -2.200 445 HD1 TRP 58 HD TRP 58 -9.064 -7.394 1.326 446 HE1 TRP 58 1HE TRP 58 -11.455 -6.684 1.916 447 HE3 TRP 58 3HE TRP 58 -10.170 -4.668 -2.867 448 HZ2 TRP 58 2HZ TRP 58 -13.544 -5.175 0.772 449 HZ3 TRP 58 3HZ TRP 58 -12.400 -3.624 -3.033 450 HH2 TRP 58 HH TRP 58 -14.044 -3.878 -1.252 451 H VAL 59 H VAL 59 -5.187 -7.902 -1.218 452 HA VAL 59 HA VAL 59 -4.517 -7.666 -3.962 453 HB VAL 59 HB VAL 59 -2.851 -8.718 -1.665 454 1HG1 VAL 59 1HG1 VAL 59 -1.960 -9.475 -3.807 455 2HG1 VAL 59 2HG1 VAL 59 -0.913 -8.253 -3.086 456 3HG1 VAL 59 3HG1 VAL 59 -1.988 -7.818 -4.414 457 1HG2 VAL 59 1HG2 VAL 59 -1.857 -6.477 -1.666 458 2HG2 VAL 59 2HG2 VAL 59 -3.591 -6.419 -1.345 459 3HG2 VAL 59 3HG2 VAL 59 -2.974 -5.986 -2.939 460 H MET 60 H MET 60 -4.761 -10.442 -1.771 461 HA MET 60 HA MET 60 -4.049 -12.349 -3.804 462 1HB MET 60 2HB MET 60 -5.233 -12.686 -1.046 463 2HB MET 60 1HB MET 60 -4.779 -14.026 -2.086 464 1HG MET 60 2HG MET 60 -2.927 -11.914 -1.011 465 2HG MET 60 1HG MET 60 -3.071 -13.569 -0.425 466 1HE MET 60 1HE MET 60 -2.431 -15.708 -1.890 467 2HE MET 60 2HE MET 60 -1.788 -15.613 -3.528 468 3HE MET 60 3HE MET 60 -3.456 -15.140 -3.206 469 H GLY 61 H GLY 61 -6.921 -10.764 -2.843 470 1HA GLY 61 2HA GLY 61 -8.961 -10.772 -3.957 471 2HA GLY 61 1HA GLY 61 -8.424 -12.164 -4.887 472 H HIS 62 H HIS 62 -8.273 -12.060 -1.402 473 HA HIS 62 HA HIS 62 -10.677 -13.687 -1.135 474 1HB HIS 62 2HB HIS 62 -7.921 -14.657 -0.360 475 2HB HIS 62 1HB HIS 62 -9.400 -15.361 0.275 476 HD1 HIS 62 1HD HIS 62 -6.972 -15.900 -2.238 477 HD2 HIS 62 2HD HIS 62 -11.106 -16.308 -2.046 478 HE1 HIS 62 1HE HIS 62 -7.586 -17.474 -4.101 479 HE2 HIS 62 2HE HIS 62 -10.046 -17.905 -3.785 480 H GLY 63 H GLY 63 -11.438 -11.840 0.028 481 1HA GLY 63 2HA GLY 63 -11.471 -12.122 2.731 482 2HA GLY 63 1HA GLY 63 -10.075 -11.095 2.462 483 H ARG 64 H ARG 64 -12.053 -10.174 3.999 484 HA ARG 64 HA ARG 64 -13.397 -8.172 2.308 485 1HB ARG 64 2HB ARG 64 -15.096 -9.558 3.213 486 2HB ARG 64 1HB ARG 64 -14.338 -9.596 4.796 487 1HG ARG 64 2HG ARG 64 -15.144 -6.931 3.858 488 2HG ARG 64 1HG ARG 64 -16.466 -8.067 4.138 489 1HD ARG 64 2HD ARG 64 -15.684 -8.459 6.401 490 2HD ARG 64 1HD ARG 64 -14.292 -7.414 6.122 491 HE ARG 64 HE ARG 64 -16.715 -6.012 5.647 492 1HH1 ARG 64 1HH1 ARG 64 -14.655 -7.213 8.222 493 2HH1 ARG 64 2HH1 ARG 64 -15.188 -6.021 9.378 494 1HH2 ARG 64 1HH2 ARG 64 -17.417 -4.458 7.153 495 2HH2 ARG 64 2HH2 ARG 64 -16.761 -4.447 8.761 496 H CYS 65 H CYS 65 -13.169 -6.054 2.884 497 HA CYS 65 HA CYS 65 -11.115 -5.517 4.894 498 1HB CYS 65 2HB CYS 65 -10.807 -4.573 2.631 499 2HB CYS 65 1HB CYS 65 -12.315 -3.683 2.805 500 HG CYS 65 HG CYS 65 -9.347 -3.136 4.412 501 H GLU 66 H GLU 66 -11.389 -3.913 6.483 502 HA GLU 66 HA GLU 66 -13.799 -4.068 7.884 503 1HB GLU 66 2HB GLU 66 -11.694 -1.930 8.201 504 2HB GLU 66 1HB GLU 66 -12.833 -2.486 9.417 505 1HG GLU 66 2HG GLU 66 -10.611 -4.122 8.216 506 2HG GLU 66 1HG GLU 66 -10.590 -3.356 9.801 507 H ASN 67 H ASN 67 -12.510 -1.526 5.790 508 HA ASN 67 HA ASN 67 -15.201 -0.576 5.317 509 1HB ASN 67 2HB ASN 67 -14.664 1.783 5.770 510 2HB ASN 67 1HB ASN 67 -14.560 0.805 7.229 511 1HD2 ASN 67 1HD2 ASN 67 -12.631 0.576 8.252 512 2HD2 ASN 67 2HD2 ASN 67 -11.205 1.450 7.815 513 H LEU 68 H LEU 68 -15.292 0.923 3.472 514 HA LEU 68 HA LEU 68 -13.517 -0.066 1.446 515 1HB LEU 68 2HB LEU 68 -15.819 1.861 1.367 516 2HB LEU 68 1HB LEU 68 -14.866 1.460 -0.048 517 HG LEU 68 HG LEU 68 -16.596 -0.407 1.574 518 1HD1 LEU 68 1HD1 LEU 68 -16.721 0.477 -1.305 519 2HD1 LEU 68 2HD1 LEU 68 -17.791 1.016 -0.010 520 3HD1 LEU 68 3HD1 LEU 68 -17.809 -0.671 -0.527 521 1HD2 LEU 68 1HD2 LEU 68 -15.924 -2.158 -0.007 522 2HD2 LEU 68 2HD2 LEU 68 -14.555 -1.572 0.939 523 3HD2 LEU 68 3HD2 LEU 68 -14.761 -1.049 -0.732 524 H GLY 69 H GLY 69 -13.515 2.635 3.499 525 1HA GLY 69 2HA GLY 69 -12.041 4.479 1.975 526 2HA GLY 69 1HA GLY 69 -11.989 4.338 3.729 527 H LEU 70 H LEU 70 -10.938 1.887 4.144 528 HA LEU 70 HA LEU 70 -8.180 2.170 3.565 529 1HB LEU 70 2HB LEU 70 -9.726 -0.238 4.534 530 2HB LEU 70 1HB LEU 70 -7.979 -0.111 4.513 531 HG LEU 70 HG LEU 70 -9.825 1.635 6.148 532 1HD1 LEU 70 1HD1 LEU 70 -8.968 0.391 8.058 533 2HD1 LEU 70 2HD1 LEU 70 -8.024 -0.636 6.980 534 3HD1 LEU 70 3HD1 LEU 70 -9.785 -0.683 6.924 535 1HD2 LEU 70 1HD2 LEU 70 -7.794 2.422 7.218 536 2HD2 LEU 70 2HD2 LEU 70 -7.747 2.752 5.486 537 3HD2 LEU 70 3HD2 LEU 70 -6.818 1.410 6.154 538 H ALA 71 H ALA 71 -10.730 0.107 2.267 539 HA ALA 71 HA ALA 71 -9.156 -1.448 0.550 540 1HB ALA 71 1HB ALA 71 -12.049 -0.667 0.203 541 2HB ALA 71 2HB ALA 71 -11.459 -2.009 1.186 542 3HB ALA 71 3HB ALA 71 -11.231 -2.029 -0.562 543 H ALA 72 H ALA 72 -10.488 1.760 0.175 544 HA ALA 72 HA ALA 72 -10.268 2.054 -2.598 545 1HB ALA 72 1HB ALA 72 -10.239 4.456 -2.187 546 2HB ALA 72 2HB ALA 72 -9.891 4.170 -0.481 547 3HB ALA 72 3HB ALA 72 -11.435 3.659 -1.163 548 H MET 73 H MET 73 -7.882 2.544 -0.029 549 HA MET 73 HA MET 73 -5.815 3.559 -1.666 550 1HB MET 73 2HB MET 73 -5.589 1.945 0.886 551 2HB MET 73 1HB MET 73 -4.301 2.894 0.160 552 1HG MET 73 2HG MET 73 -5.570 4.932 0.545 553 2HG MET 73 1HG MET 73 -6.887 3.989 1.242 554 1HE MET 73 1HE MET 73 -5.211 1.765 2.837 555 2HE MET 73 2HE MET 73 -6.636 2.569 3.497 556 3HE MET 73 3HE MET 73 -5.145 2.502 4.437 557 H VAL 74 H VAL 74 -6.656 0.297 -0.612 558 HA VAL 74 HA VAL 74 -4.519 -1.077 -1.805 559 HB VAL 74 HB VAL 74 -7.321 -2.126 -1.353 560 1HG1 VAL 74 1HG1 VAL 74 -6.194 -4.302 -1.126 561 2HG1 VAL 74 2HG1 VAL 74 -4.659 -3.535 -1.530 562 3HG1 VAL 74 3HG1 VAL 74 -5.953 -3.596 -2.725 563 1HG2 VAL 74 1HG2 VAL 74 -4.976 -2.071 0.543 564 2HG2 VAL 74 2HG2 VAL 74 -6.526 -2.861 0.836 565 3HG2 VAL 74 3HG2 VAL 74 -6.446 -1.107 0.685 566 H ASP 75 H ASP 75 -7.709 -0.171 -3.016 567 HA ASP 75 HA ASP 75 -7.706 -1.584 -5.425 568 1HB ASP 75 2HB ASP 75 -9.709 -0.507 -4.563 569 2HB ASP 75 1HB ASP 75 -8.981 1.082 -4.774 570 H LYS 76 H LYS 76 -6.382 1.600 -4.654 571 HA LYS 76 HA LYS 76 -5.694 2.289 -7.322 572 1HB LYS 76 2HB LYS 76 -4.264 3.290 -4.861 573 2HB LYS 76 1HB LYS 76 -4.465 4.109 -6.404 574 1HG LYS 76 2HG LYS 76 -6.602 3.555 -4.359 575 2HG LYS 76 1HG LYS 76 -5.904 5.119 -4.775 576 1HD LYS 76 2HD LYS 76 -6.959 5.164 -6.864 577 2HD LYS 76 1HD LYS 76 -7.292 3.429 -6.831 578 1HE LYS 76 2HE LYS 76 -8.858 3.785 -4.971 579 2HE LYS 76 1HE LYS 76 -8.540 5.516 -5.045 580 1HZ LYS 76 1HZ LYS 76 -10.601 4.736 -6.205 581 2HZ LYS 76 2HZ LYS 76 -9.598 3.981 -7.347 582 3HZ LYS 76 3HZ LYS 76 -9.544 5.660 -7.153 583 H ILE 77 H ILE 77 -3.947 0.733 -4.690 584 HA ILE 77 HA ILE 77 -1.455 0.507 -5.999 585 HB ILE 77 HB ILE 77 -2.634 -1.264 -3.844 586 1HG1 ILE 77 2HG1 ILE 77 -0.776 1.119 -3.622 587 2HG1 ILE 77 1HG1 ILE 77 -2.497 1.145 -3.253 588 1HG2 ILE 77 1HG2 ILE 77 -0.763 -2.333 -4.990 589 2HG2 ILE 77 2HG2 ILE 77 -0.317 -1.876 -3.346 590 3HG2 ILE 77 3HG2 ILE 77 0.231 -0.904 -4.711 591 1HD1 ILE 77 1HD1 ILE 77 -1.184 0.988 -1.229 592 2HD1 ILE 77 2HD1 ILE 77 -0.402 -0.475 -1.828 593 3HD1 ILE 77 3HD1 ILE 77 -2.128 -0.484 -1.465 594 H VAL 78 H VAL 78 -4.225 -1.705 -5.723 595 HA VAL 78 HA VAL 78 -3.145 -3.814 -7.244 596 HB VAL 78 HB VAL 78 -6.049 -3.035 -6.876 597 1HG1 VAL 78 1HG1 VAL 78 -6.576 -5.333 -7.536 598 2HG1 VAL 78 2HG1 VAL 78 -4.870 -5.633 -7.867 599 3HG1 VAL 78 3HG1 VAL 78 -5.765 -4.467 -8.842 600 1HG2 VAL 78 1HG2 VAL 78 -4.889 -3.546 -4.787 601 2HG2 VAL 78 2HG2 VAL 78 -4.341 -5.081 -5.461 602 3HG2 VAL 78 3HG2 VAL 78 -6.061 -4.803 -5.186 603 H ALA 79 H ALA 79 -4.978 -0.940 -8.188 604 HA ALA 79 HA ALA 79 -5.345 -1.561 -10.898 605 1HB ALA 79 1HB ALA 79 -5.730 0.803 -11.235 606 2HB ALA 79 2HB ALA 79 -4.952 1.177 -9.697 607 3HB ALA 79 3HB ALA 79 -6.477 0.291 -9.720 608 H HIS 80 H HIS 80 -2.690 0.090 -9.236 609 HA HIS 80 HA HIS 80 -1.159 0.566 -11.599 610 1HB HIS 80 2HB HIS 80 -0.984 1.678 -9.247 611 2HB HIS 80 1HB HIS 80 0.048 0.308 -8.859 612 HD1 HIS 80 1HD HIS 80 1.806 0.081 -11.310 613 HD2 HIS 80 2HD HIS 80 0.702 3.731 -9.658 614 HE1 HIS 80 1HE HIS 80 3.554 1.721 -12.066 615 HE2 HIS 80 2HE HIS 80 2.994 3.863 -10.853 616 H ASN 81 H ASN 81 -1.317 -1.981 -9.206 617 HA ASN 81 HA ASN 81 0.943 -3.466 -10.021 618 1HB ASN 81 2HB ASN 81 -0.199 -3.777 -7.843 619 2HB ASN 81 1HB ASN 81 -1.584 -4.464 -8.687 620 1HD2 ASN 81 1HD2 ASN 81 -1.437 -6.436 -7.687 621 2HD2 ASN 81 2HD2 ASN 81 -0.161 -7.557 -8.003 622 H LEU 82 H LEU 82 -2.379 -3.378 -11.126 623 HA LEU 82 HA LEU 82 -2.564 -5.735 -12.559 624 1HB LEU 82 2HB LEU 82 -4.361 -4.038 -12.159 625 2HB LEU 82 1HB LEU 82 -3.652 -3.057 -13.422 626 HG LEU 82 HG LEU 82 -4.082 -4.874 -15.050 627 1HD1 LEU 82 1HD1 LEU 82 -5.553 -6.174 -12.762 628 2HD1 LEU 82 2HD1 LEU 82 -4.053 -6.754 -13.483 629 3HD1 LEU 82 3HD1 LEU 82 -5.536 -6.725 -14.437 630 1HD2 LEU 82 1HD2 LEU 82 -5.673 -3.055 -14.812 631 2HD2 LEU 82 2HD2 LEU 82 -6.489 -3.915 -13.506 632 3HD2 LEU 82 3HD2 LEU 82 -6.516 -4.568 -15.146 633 H SER 83 H SER 83 -1.118 -2.662 -13.531 634 HA SER 83 HA SER 83 -0.490 -3.420 -16.177 635 1HB SER 83 2HB SER 83 -0.481 -1.068 -15.373 636 2HB SER 83 1HB SER 83 0.966 -1.421 -14.430 637 HG SER 83 HG SER 83 1.573 -0.508 -16.392 638 H LYS 84 H LYS 84 1.203 -3.787 -13.117 639 HA LYS 84 HA LYS 84 3.631 -4.818 -14.143 640 1HB LYS 84 2HB LYS 84 2.274 -5.245 -11.474 641 2HB LYS 84 1HB LYS 84 3.904 -5.784 -11.848 642 1HG LYS 84 2HG LYS 84 4.666 -3.536 -12.097 643 2HG LYS 84 1HG LYS 84 3.019 -2.913 -11.976 644 1HD LYS 84 2HD LYS 84 4.295 -2.639 -9.880 645 2HD LYS 84 1HD LYS 84 2.867 -3.653 -9.678 646 1HE LYS 84 2HE LYS 84 4.812 -4.568 -8.500 647 2HE LYS 84 1HE LYS 84 4.242 -5.652 -9.766 648 1HZ LYS 84 1HZ LYS 84 6.434 -3.738 -10.285 649 2HZ LYS 84 2HZ LYS 84 6.063 -5.187 -11.099 650 3HZ LYS 84 3HZ LYS 84 6.738 -5.232 -9.546 651 H VAL 85 H VAL 85 0.533 -6.237 -13.355 652 HA VAL 85 HA VAL 85 1.274 -8.956 -13.518 653 HB VAL 85 HB VAL 85 -1.404 -7.706 -14.159 654 1HG1 VAL 85 1HG1 VAL 85 -2.337 -9.906 -13.629 655 2HG1 VAL 85 2HG1 VAL 85 -0.707 -10.543 -13.410 656 3HG1 VAL 85 3HG1 VAL 85 -1.230 -9.987 -14.999 657 1HG2 VAL 85 1HG2 VAL 85 -0.341 -8.802 -11.562 658 2HG2 VAL 85 2HG2 VAL 85 -1.995 -8.260 -11.845 659 3HG2 VAL 85 3HG2 VAL 85 -0.662 -7.107 -11.928 660 H ARG 86 H ARG 86 0.289 -6.587 -15.917 661 HA ARG 86 HA ARG 86 0.173 -8.428 -18.094 662 1HB ARG 86 2HB ARG 86 -1.193 -6.563 -18.310 663 2HB ARG 86 1HB ARG 86 0.043 -5.466 -17.725 664 1HG ARG 86 2HG ARG 86 -0.303 -5.041 -20.015 665 2HG ARG 86 1HG ARG 86 1.268 -5.811 -19.852 666 1HD ARG 86 2HD ARG 86 -0.994 -7.635 -20.337 667 2HD ARG 86 1HD ARG 86 -0.611 -6.537 -21.661 668 HE ARG 86 HE ARG 86 1.422 -8.314 -20.454 669 1HH1 ARG 86 1HH1 ARG 86 -0.220 -6.959 -23.237 670 2HH1 ARG 86 2HH1 ARG 86 0.792 -7.769 -24.389 671 1HH2 ARG 86 1HH2 ARG 86 2.772 -9.378 -21.978 672 2HH2 ARG 86 2HH2 ARG 86 2.490 -9.129 -23.679 673 H LEU 87 H LEU 87 2.482 -5.941 -17.038 674 HA LEU 87 HA LEU 87 4.342 -6.338 -19.123 675 1HB LEU 87 2HB LEU 87 4.092 -4.411 -17.377 676 2HB LEU 87 1HB LEU 87 5.128 -5.408 -16.377 677 HG LEU 87 HG LEU 87 5.909 -4.500 -19.142 678 1HD1 LEU 87 1HD1 LEU 87 7.242 -2.767 -18.022 679 2HD1 LEU 87 2HD1 LEU 87 6.505 -3.210 -16.482 680 3HD1 LEU 87 3HD1 LEU 87 5.511 -2.537 -17.774 681 1HD2 LEU 87 1HD2 LEU 87 7.134 -6.437 -18.250 682 2HD2 LEU 87 2HD2 LEU 87 7.557 -5.498 -16.818 683 3HD2 LEU 87 3HD2 LEU 87 8.165 -5.014 -18.400 684 H GLU 88 H GLU 88 4.261 -7.524 -15.776 685 HA GLU 88 HA GLU 88 6.407 -9.411 -16.380 686 1HB GLU 88 2HB GLU 88 5.039 -8.849 -13.739 687 2HB GLU 88 1HB GLU 88 6.510 -9.783 -13.980 688 1HG GLU 88 2HG GLU 88 7.688 -7.789 -14.700 689 2HG GLU 88 1HG GLU 88 6.207 -6.840 -14.559 690 H HIS 89 H HIS 89 5.264 -10.821 -17.704 691 HA HIS 89 HA HIS 89 2.783 -11.960 -17.198 692 1HB HIS 89 2HB HIS 89 3.484 -13.787 -18.734 693 2HB HIS 89 1HB HIS 89 3.804 -12.184 -19.377 694 HD1 HIS 89 1HD HIS 89 5.386 -15.400 -18.783 695 HD2 HIS 89 2HD HIS 89 6.654 -11.449 -19.108 696 HE1 HIS 89 1HE HIS 89 7.864 -15.510 -19.205 697 HE2 HIS 89 2HE HIS 89 8.633 -13.108 -19.227 698 H HIS 90 H HIS 90 2.200 -12.940 -15.408 699 HA HIS 90 HA HIS 90 3.995 -14.970 -14.238 700 1HB HIS 90 2HB HIS 90 1.769 -13.422 -12.885 701 2HB HIS 90 1HB HIS 90 2.777 -14.641 -12.118 702 HD1 HIS 90 1HD HIS 90 2.421 -11.259 -11.902 703 HD2 HIS 90 2HD HIS 90 5.724 -13.626 -12.770 704 HE1 HIS 90 1HE HIS 90 4.422 -9.851 -11.348 705 HE2 HIS 90 2HE HIS 90 6.412 -11.337 -11.771 706 H HIS 91 H HIS 91 0.618 -14.155 -14.933 707 HA HIS 91 HA HIS 91 0.027 -16.904 -15.582 708 1HB HIS 91 2HB HIS 91 -1.854 -17.097 -13.951 709 2HB HIS 91 1HB HIS 91 -0.266 -17.070 -13.197 710 HD1 HIS 91 1HD HIS 91 -3.481 -15.858 -12.560 711 HD2 HIS 91 2HD HIS 91 0.288 -14.087 -12.477 712 HE1 HIS 91 1HE HIS 91 -3.707 -13.832 -11.083 713 HE2 HIS 91 2HE HIS 91 -1.390 -12.834 -10.967 714 H HIS 92 H HIS 92 -0.411 -13.677 -16.044 715 HA HIS 92 HA HIS 92 -2.687 -14.163 -17.802 716 1HB HIS 92 2HB HIS 92 -2.690 -12.358 -15.455 717 2HB HIS 92 1HB HIS 92 -3.333 -11.670 -16.941 718 HD1 HIS 92 1HD HIS 92 -5.724 -12.113 -17.374 719 HD2 HIS 92 2HD HIS 92 -4.078 -14.882 -14.741 720 HE1 HIS 92 1HE HIS 92 -7.640 -13.570 -16.630 721 HE2 HIS 92 2HE HIS 92 -6.566 -15.381 -15.243 722 H HIS 93 H HIS 93 -2.859 -12.635 -19.522 723 HA HIS 93 HA HIS 93 -0.940 -10.486 -19.712 724 1HB HIS 93 2HB HIS 93 0.057 -11.215 -21.829 725 2HB HIS 93 1HB HIS 93 0.404 -12.362 -20.544 726 HD1 HIS 93 1HD HIS 93 -0.988 -12.101 -23.906 727 HD2 HIS 93 2HD HIS 93 -1.134 -14.825 -20.763 728 HE1 HIS 93 1HE HIS 93 -1.839 -14.246 -24.904 729 HE2 HIS 93 2HE HIS 93 -1.661 -15.931 -23.047 730 H HIS 94 H HIS 94 -1.218 -9.708 -22.289 731 HA HIS 94 HA HIS 94 -4.001 -9.833 -23.060 732 1HB HIS 94 2HB HIS 94 -3.995 -8.109 -21.278 733 2HB HIS 94 1HB HIS 94 -2.784 -7.202 -22.174 734 HD1 HIS 94 1HD HIS 94 -6.421 -8.175 -22.287 735 HD2 HIS 94 2HD HIS 94 -3.771 -5.618 -24.224 736 HE1 HIS 94 1HE HIS 94 -7.849 -6.646 -23.683 737 HE2 HIS 94 2HE HIS 94 -6.232 -5.083 -24.824 Start of MODEL 20 1 1H MET 1 1HT MET 1 0.071 16.569 4.499 2 2H MET 1 2HT MET 1 -1.297 16.914 5.444 3 3H MET 1 3HT MET 1 -0.774 15.317 5.256 4 HA MET 1 HA MET 1 0.788 17.446 6.585 5 1HB MET 1 2HB MET 1 -0.897 15.208 7.727 6 2HB MET 1 1HB MET 1 0.270 16.126 8.668 7 1HG MET 1 2HG MET 1 -2.153 17.253 7.280 8 2HG MET 1 1HG MET 1 -1.985 16.952 9.008 9 1HE MET 1 1HE MET 1 -2.768 19.468 9.401 10 2HE MET 1 2HE MET 1 -2.823 19.785 7.668 11 3HE MET 1 3HE MET 1 -1.940 20.878 8.734 12 H TYR 2 H TYR 2 1.593 15.530 4.466 13 HA TYR 2 HA TYR 2 3.480 13.931 6.070 14 1HB TYR 2 2HB TYR 2 2.043 13.153 3.535 15 2HB TYR 2 1HB TYR 2 3.457 12.293 4.132 16 HD1 TYR 2 1HD TYR 2 3.337 11.044 6.261 17 HD2 TYR 2 2HD TYR 2 -0.108 12.860 4.551 18 HE1 TYR 2 1HE TYR 2 1.900 9.658 7.699 19 HE2 TYR 2 2HE TYR 2 -1.553 11.483 5.986 20 HH TYR 2 HH TYR 2 -1.367 9.248 7.179 21 H THR 3 H THR 3 5.575 13.765 5.327 22 HA THR 3 HA THR 3 6.321 15.391 3.016 23 HB THR 3 HB THR 3 8.311 16.147 4.566 24 HG1 THR 3 1HG THR 3 7.598 16.423 6.732 25 1HG2 THR 3 1HG2 THR 3 5.552 17.365 4.753 26 2HG2 THR 3 2HG2 THR 3 6.736 17.671 3.484 27 3HG2 THR 3 3HG2 THR 3 7.066 18.185 5.139 28 H ALA 4 H ALA 4 9.067 15.207 3.214 29 HA ALA 4 HA ALA 4 9.491 12.699 2.043 30 1HB ALA 4 1HB ALA 4 10.825 14.684 1.540 31 2HB ALA 4 2HB ALA 4 11.841 13.308 1.971 32 3HB ALA 4 3HB ALA 4 11.554 14.598 3.141 33 H GLU 5 H GLU 5 10.383 13.856 5.305 34 HA GLU 5 HA GLU 5 11.786 11.500 6.015 35 1HB GLU 5 2HB GLU 5 11.954 13.762 7.127 36 2HB GLU 5 1HB GLU 5 10.418 13.412 7.902 37 1HG GLU 5 2HG GLU 5 11.445 11.380 8.866 38 2HG GLU 5 1HG GLU 5 12.995 11.914 8.223 39 H GLN 6 H GLN 6 8.458 12.554 6.383 40 HA GLN 6 HA GLN 6 7.474 10.436 7.912 41 1HB GLN 6 2HB GLN 6 6.138 12.129 5.801 42 2HB GLN 6 1HB GLN 6 5.269 10.929 6.744 43 1HG GLN 6 2HG GLN 6 6.798 13.202 7.973 44 2HG GLN 6 1HG GLN 6 5.094 13.300 7.541 45 1HE2 GLN 6 1HE2 GLN 6 4.452 13.623 9.640 46 2HE2 GLN 6 2HE2 GLN 6 4.471 12.372 10.835 47 H LYS 7 H LYS 7 8.025 10.684 4.427 48 HA LYS 7 HA LYS 7 6.783 8.319 3.609 49 1HB LYS 7 2HB LYS 7 9.269 9.639 2.510 50 2HB LYS 7 1HB LYS 7 8.413 8.328 1.716 51 1HG LYS 7 2HG LYS 7 6.419 9.748 1.553 52 2HG LYS 7 1HG LYS 7 7.320 11.070 2.302 53 1HD LYS 7 2HD LYS 7 8.920 11.035 0.460 54 2HD LYS 7 1HD LYS 7 8.050 9.690 -0.281 55 1HE LYS 7 2HE LYS 7 6.061 11.113 -0.496 56 2HE LYS 7 1HE LYS 7 6.955 12.457 0.211 57 1HZ LYS 7 1HZ LYS 7 8.515 12.324 -1.656 58 2HZ LYS 7 2HZ LYS 7 6.932 12.639 -2.172 59 3HZ LYS 7 3HZ LYS 7 7.586 11.081 -2.350 60 H ALA 8 H ALA 8 9.970 8.879 4.986 61 HA ALA 8 HA ALA 8 10.967 6.253 4.602 62 1HB ALA 8 1HB ALA 8 12.680 6.870 6.232 63 2HB ALA 8 2HB ALA 8 11.751 8.301 6.678 64 3HB ALA 8 3HB ALA 8 12.431 8.163 5.057 65 H ARG 9 H ARG 9 9.298 7.857 7.269 66 HA ARG 9 HA ARG 9 9.351 5.693 9.079 67 1HB ARG 9 2HB ARG 9 7.289 7.898 8.861 68 2HB ARG 9 1HB ARG 9 7.574 6.877 10.264 69 1HG ARG 9 2HG ARG 9 9.829 7.826 10.479 70 2HG ARG 9 1HG ARG 9 9.503 8.877 9.096 71 1HD ARG 9 2HD ARG 9 7.588 9.836 10.344 72 2HD ARG 9 1HD ARG 9 8.035 8.847 11.731 73 HE ARG 9 HE ARG 9 10.070 10.649 10.691 74 1HH1 ARG 9 1HH1 ARG 9 7.599 10.019 13.076 75 2HH1 ARG 9 2HH1 ARG 9 8.191 11.204 14.200 76 1HH2 ARG 9 1HH2 ARG 9 10.827 12.260 12.127 77 2HH2 ARG 9 2HH2 ARG 9 9.994 12.516 13.642 78 H ILE 10 H ILE 10 7.108 6.633 6.528 79 HA ILE 10 HA ILE 10 5.125 4.691 7.028 80 HB ILE 10 HB ILE 10 5.903 6.026 4.425 81 1HG1 ILE 10 2HG1 ILE 10 3.647 6.613 6.354 82 2HG1 ILE 10 1HG1 ILE 10 5.140 7.538 6.245 83 1HG2 ILE 10 1HG2 ILE 10 4.700 3.965 3.969 84 2HG2 ILE 10 2HG2 ILE 10 3.678 5.361 3.622 85 3HG2 ILE 10 3HG2 ILE 10 3.433 4.434 5.102 86 1HD1 ILE 10 1HD1 ILE 10 3.076 7.247 4.072 87 2HD1 ILE 10 2HD1 ILE 10 4.566 8.183 3.961 88 3HD1 ILE 10 3HD1 ILE 10 3.309 8.656 5.106 89 H LYS 11 H LYS 11 8.014 4.665 4.972 90 HA LYS 11 HA LYS 11 7.679 2.107 3.895 91 1HB LYS 11 2HB LYS 11 9.363 3.839 3.167 92 2HB LYS 11 1HB LYS 11 10.333 3.382 4.561 93 1HG LYS 11 2HG LYS 11 10.533 1.117 3.709 94 2HG LYS 11 1HG LYS 11 9.507 1.527 2.335 95 1HD LYS 11 2HD LYS 11 11.192 3.243 1.679 96 2HD LYS 11 1HD LYS 11 12.236 2.639 2.969 97 1HE LYS 11 2HE LYS 11 12.873 1.652 0.844 98 2HE LYS 11 1HE LYS 11 12.220 0.418 1.920 99 1HZ LYS 11 1HZ LYS 11 10.203 0.358 0.717 100 2HZ LYS 11 2HZ LYS 11 11.433 0.354 -0.455 101 3HZ LYS 11 3HZ LYS 11 10.577 1.775 -0.137 102 H TRP 12 H TRP 12 9.048 3.150 6.974 103 HA TRP 12 HA TRP 12 10.052 0.643 7.794 104 1HB TRP 12 2HB TRP 12 9.248 3.152 9.204 105 2HB TRP 12 1HB TRP 12 9.543 1.701 10.156 106 HD1 TRP 12 HD TRP 12 11.515 3.318 7.209 107 HE1 TRP 12 1HE TRP 12 13.984 3.462 7.909 108 HE3 TRP 12 3HE TRP 12 11.123 1.387 11.922 109 HZ2 TRP 12 2HZ TRP 12 15.555 2.853 10.171 110 HZ3 TRP 12 3HZ TRP 12 13.158 1.209 13.296 111 HH2 TRP 12 HH TRP 12 15.330 1.928 12.435 112 H ALA 13 H ALA 13 6.837 1.886 7.607 113 HA ALA 13 HA ALA 13 5.765 -0.123 9.415 114 1HB ALA 13 1HB ALA 13 3.618 0.966 9.027 115 2HB ALA 13 2HB ALA 13 4.356 2.002 7.806 116 3HB ALA 13 3HB ALA 13 4.849 2.138 9.495 117 H CYS 14 H CYS 14 6.945 -0.463 6.492 118 HA CYS 14 HA CYS 14 4.850 -1.642 4.989 119 1HB CYS 14 2HB CYS 14 6.635 -2.649 3.634 120 2HB CYS 14 1HB CYS 14 6.958 -0.947 3.941 121 HG CYS 14 HG CYS 14 9.191 -1.217 5.217 122 H ARG 15 H ARG 15 6.868 -2.720 7.560 123 HA ARG 15 HA ARG 15 6.755 -4.510 8.949 124 1HB ARG 15 2HB ARG 15 4.197 -4.264 8.172 125 2HB ARG 15 1HB ARG 15 4.547 -5.836 7.473 126 1HG ARG 15 2HG ARG 15 3.576 -6.147 9.630 127 2HG ARG 15 1HG ARG 15 5.278 -6.612 9.710 128 1HD ARG 15 2HD ARG 15 5.860 -4.735 10.948 129 2HD ARG 15 1HD ARG 15 4.438 -3.830 10.428 130 HE ARG 15 HE ARG 15 3.511 -6.013 11.855 131 1HH1 ARG 15 1HH1 ARG 15 5.534 -3.214 12.533 132 2HH1 ARG 15 2HH1 ARG 15 4.952 -3.046 14.165 133 1HH2 ARG 15 1HH2 ARG 15 2.801 -5.813 13.990 134 2HH2 ARG 15 2HH2 ARG 15 3.407 -4.537 14.997 135 H ARG 16 H ARG 16 8.499 -5.734 8.663 136 HA ARG 16 HA ARG 16 9.302 -6.808 6.209 137 1HB ARG 16 2HB ARG 16 11.096 -7.867 7.345 138 2HB ARG 16 1HB ARG 16 10.807 -6.357 8.189 139 1HG ARG 16 2HG ARG 16 9.662 -8.964 9.137 140 2HG ARG 16 1HG ARG 16 11.273 -8.416 9.593 141 1HD ARG 16 2HD ARG 16 10.381 -6.484 10.682 142 2HD ARG 16 1HD ARG 16 8.767 -6.806 10.046 143 HE ARG 16 HE ARG 16 8.817 -8.875 11.447 144 1HH1 ARG 16 1HH1 ARG 16 10.836 -6.128 12.310 145 2HH1 ARG 16 2HH1 ARG 16 10.889 -6.546 13.996 146 1HH2 ARG 16 1HH2 ARG 16 8.879 -9.404 13.633 147 2HH2 ARG 16 2HH2 ARG 16 9.790 -8.428 14.746 148 H GLY 17 H GLY 17 8.957 -8.679 5.203 149 1HA GLY 17 2HA GLY 17 8.221 -11.123 6.214 150 2HA GLY 17 1HA GLY 17 6.709 -10.248 6.013 151 H MET 18 H MET 18 7.183 -8.820 3.716 152 HA MET 18 HA MET 18 8.293 -10.553 1.696 153 1HB MET 18 2HB MET 18 6.265 -10.630 0.330 154 2HB MET 18 1HB MET 18 6.029 -11.447 1.864 155 1HG MET 18 2HG MET 18 4.855 -9.459 2.710 156 2HG MET 18 1HG MET 18 5.051 -8.697 1.132 157 1HE MET 18 1HE MET 18 4.694 -11.261 -0.770 158 2HE MET 18 2HE MET 18 3.939 -9.709 -1.132 159 3HE MET 18 3HE MET 18 2.971 -11.183 -1.141 160 H LEU 19 H LEU 19 8.954 -9.444 -0.099 161 HA LEU 19 HA LEU 19 9.169 -6.592 0.271 162 1HB LEU 19 2HB LEU 19 10.294 -8.497 -1.772 163 2HB LEU 19 1HB LEU 19 10.606 -6.777 -1.783 164 HG LEU 19 HG LEU 19 11.371 -8.677 0.432 165 1HD1 LEU 19 1HD1 LEU 19 13.052 -7.306 -1.662 166 2HD1 LEU 19 2HD1 LEU 19 12.695 -9.031 -1.575 167 3HD1 LEU 19 3HD1 LEU 19 13.666 -8.267 -0.317 168 1HD2 LEU 19 1HD2 LEU 19 11.992 -5.748 0.063 169 2HD2 LEU 19 2HD2 LEU 19 12.603 -6.783 1.354 170 3HD2 LEU 19 3HD2 LEU 19 10.879 -6.426 1.251 171 H GLU 20 H GLU 20 7.286 -8.760 -1.606 172 HA GLU 20 HA GLU 20 6.719 -7.155 -3.824 173 1HB GLU 20 2HB GLU 20 5.201 -9.399 -2.538 174 2HB GLU 20 1HB GLU 20 4.621 -8.587 -3.987 175 1HG GLU 20 2HG GLU 20 7.284 -9.968 -3.721 176 2HG GLU 20 1HG GLU 20 5.849 -10.656 -4.474 177 H LEU 21 H LEU 21 5.556 -6.891 -0.575 178 HA LEU 21 HA LEU 21 3.262 -5.303 -1.326 179 1HB LEU 21 2HB LEU 21 4.512 -5.924 1.341 180 2HB LEU 21 1HB LEU 21 3.188 -4.787 1.170 181 HG LEU 21 HG LEU 21 3.129 -7.746 0.570 182 1HD1 LEU 21 1HD1 LEU 21 1.393 -7.762 2.313 183 2HD1 LEU 21 2HD1 LEU 21 1.673 -6.044 2.593 184 3HD1 LEU 21 3HD1 LEU 21 2.952 -7.212 2.929 185 1HD2 LEU 21 1HD2 LEU 21 0.963 -5.687 0.147 186 2HD2 LEU 21 2HD2 LEU 21 0.776 -7.434 -0.017 187 3HD2 LEU 21 3HD2 LEU 21 1.833 -6.552 -1.120 188 H ASP 22 H ASP 22 6.528 -4.702 -0.102 189 HA ASP 22 HA ASP 22 6.238 -1.940 0.349 190 1HB ASP 22 2HB ASP 22 8.151 -3.091 1.253 191 2HB ASP 22 1HB ASP 22 8.681 -3.579 -0.352 192 H VAL 23 H VAL 23 7.150 -3.762 -2.531 193 HA VAL 23 HA VAL 23 7.889 -1.468 -4.048 194 HB VAL 23 HB VAL 23 7.947 -2.974 -5.987 195 1HG1 VAL 23 1HG1 VAL 23 9.886 -2.827 -4.537 196 2HG1 VAL 23 2HG1 VAL 23 9.709 -4.468 -5.159 197 3HG1 VAL 23 3HG1 VAL 23 9.232 -4.096 -3.502 198 1HG2 VAL 23 1HG2 VAL 23 6.053 -4.393 -5.481 199 2HG2 VAL 23 2HG2 VAL 23 6.882 -5.036 -4.064 200 3HG2 VAL 23 3HG2 VAL 23 7.505 -5.376 -5.679 201 H VAL 24 H VAL 24 4.824 -2.691 -3.231 202 HA VAL 24 HA VAL 24 3.651 -1.361 -5.578 203 HB VAL 24 HB VAL 24 1.553 -2.467 -5.096 204 1HG1 VAL 24 1HG1 VAL 24 2.220 -4.790 -5.535 205 2HG1 VAL 24 2HG1 VAL 24 3.882 -4.377 -5.114 206 3HG1 VAL 24 3HG1 VAL 24 3.117 -3.632 -6.518 207 1HG2 VAL 24 1HG2 VAL 24 1.347 -4.163 -3.342 208 2HG2 VAL 24 2HG2 VAL 24 1.666 -2.564 -2.669 209 3HG2 VAL 24 3HG2 VAL 24 2.963 -3.757 -2.762 210 H ILE 25 H ILE 25 4.240 -0.934 -2.274 211 HA ILE 25 HA ILE 25 1.982 0.875 -1.906 212 HB ILE 25 HB ILE 25 4.086 -0.092 0.032 213 1HG1 ILE 25 2HG1 ILE 25 1.102 -0.598 -0.128 214 2HG1 ILE 25 1HG1 ILE 25 2.358 -1.739 -0.599 215 1HG2 ILE 25 1HG2 ILE 25 3.472 2.195 0.591 216 2HG2 ILE 25 2HG2 ILE 25 2.805 1.068 1.774 217 3HG2 ILE 25 3HG2 ILE 25 1.762 1.765 0.534 218 1HD1 ILE 25 1HD1 ILE 25 1.925 -0.664 2.180 219 2HD1 ILE 25 2HD1 ILE 25 3.133 -1.854 1.700 220 3HD1 ILE 25 3HD1 ILE 25 1.417 -2.248 1.598 221 H MET 26 H MET 26 5.547 1.026 -1.522 222 HA MET 26 HA MET 26 5.574 3.769 -0.925 223 1HB MET 26 2HB MET 26 7.427 2.238 -0.381 224 2HB MET 26 1HB MET 26 7.832 2.137 -2.090 225 1HG MET 26 2HG MET 26 8.290 4.538 -2.122 226 2HG MET 26 1HG MET 26 7.890 4.632 -0.407 227 1HE MET 26 1HE MET 26 10.204 5.814 0.085 228 2HE MET 26 2HE MET 26 10.626 5.731 -1.625 229 3HE MET 26 3HE MET 26 11.766 5.159 -0.405 230 HA PRO 27 HA PRO 27 6.805 4.569 -5.612 231 1HB PRO 27 2HB PRO 27 5.444 2.225 -6.839 232 2HB PRO 27 1HB PRO 27 6.956 3.018 -7.298 233 1HG PRO 27 2HG PRO 27 6.998 0.666 -6.071 234 2HG PRO 27 1HG PRO 27 8.184 1.920 -5.661 235 1HD PRO 27 2HD PRO 27 5.722 1.080 -4.175 236 2HD PRO 27 1HD PRO 27 7.327 1.507 -3.545 237 H PHE 28 H PHE 28 3.849 2.953 -4.627 238 HA PHE 28 HA PHE 28 2.101 4.349 -6.382 239 1HB PHE 28 2HB PHE 28 1.432 2.233 -5.364 240 2HB PHE 28 1HB PHE 28 1.558 2.938 -3.756 241 HD1 PHE 28 1HD PHE 28 -0.290 3.196 -6.957 242 HD2 PHE 28 2HD PHE 28 -0.277 3.994 -2.776 243 HE1 PHE 28 1HE PHE 28 -2.654 3.867 -7.079 244 HE2 PHE 28 2HE PHE 28 -2.638 4.670 -2.892 245 HZ PHE 28 HZ PHE 28 -3.830 4.607 -5.044 246 H PHE 29 H PHE 29 3.085 4.790 -3.012 247 HA PHE 29 HA PHE 29 1.467 7.003 -2.424 248 1HB PHE 29 2HB PHE 29 2.703 5.625 -0.751 249 2HB PHE 29 1HB PHE 29 4.201 6.368 -1.295 250 HD1 PHE 29 1HD PHE 29 0.888 7.167 0.168 251 HD2 PHE 29 2HD PHE 29 4.942 8.346 -0.335 252 HE1 PHE 29 1HE PHE 29 0.555 8.984 1.797 253 HE2 PHE 29 2HE PHE 29 4.620 10.168 1.286 254 HZ PHE 29 HZ PHE 29 2.424 10.488 2.356 255 H GLU 30 H GLU 30 4.689 6.779 -3.844 256 HA GLU 30 HA GLU 30 5.395 9.474 -3.853 257 1HB GLU 30 2HB GLU 30 6.030 7.323 -5.880 258 2HB GLU 30 1HB GLU 30 6.832 8.876 -5.777 259 1HG GLU 30 2HG GLU 30 6.752 7.145 -3.405 260 2HG GLU 30 1HG GLU 30 7.887 6.792 -4.695 261 H GLU 31 H GLU 31 3.480 7.636 -6.161 262 HA GLU 31 HA GLU 31 3.165 9.889 -7.945 263 1HB GLU 31 2HB GLU 31 1.752 7.217 -7.958 264 2HB GLU 31 1HB GLU 31 1.756 8.392 -9.263 265 1HG GLU 31 2HG GLU 31 4.132 6.863 -8.235 266 2HG GLU 31 1HG GLU 31 3.266 6.575 -9.743 267 H CYS 32 H CYS 32 1.130 8.102 -5.679 268 HA CYS 32 HA CYS 32 -1.236 9.515 -6.499 269 1HB CYS 32 2HB CYS 32 -1.020 7.043 -5.770 270 2HB CYS 32 1HB CYS 32 -1.087 7.680 -4.131 271 HG CYS 32 HG CYS 32 -3.545 7.067 -6.225 272 H PHE 33 H PHE 33 1.180 10.030 -4.149 273 HA PHE 33 HA PHE 33 -0.095 11.039 -1.937 274 1HB PHE 33 2HB PHE 33 2.292 10.806 -1.979 275 2HB PHE 33 1HB PHE 33 2.442 11.958 -3.295 276 HD1 PHE 33 2HD PHE 33 1.810 11.553 0.294 277 HD2 PHE 33 1HD PHE 33 2.456 14.319 -2.874 278 HE1 PHE 33 2HE PHE 33 2.177 13.348 1.937 279 HE2 PHE 33 1HE PHE 33 2.831 16.116 -1.239 280 HZ PHE 33 HZ PHE 33 2.688 15.635 1.170 281 H ASP 34 H ASP 34 0.465 12.689 -5.005 282 HA ASP 34 HA ASP 34 -0.345 15.256 -4.110 283 1HB ASP 34 2HB ASP 34 1.074 14.937 -6.081 284 2HB ASP 34 1HB ASP 34 -0.248 14.126 -6.914 285 H SER 35 H SER 35 -2.108 12.459 -5.095 286 HA SER 35 HA SER 35 -4.540 14.030 -5.571 287 1HB SER 35 2HB SER 35 -4.046 11.087 -6.081 288 2HB SER 35 1HB SER 35 -5.438 12.032 -6.619 289 HG SER 35 HG SER 35 -3.677 13.395 -7.660 290 H LEU 36 H LEU 36 -3.070 11.872 -3.313 291 HA LEU 36 HA LEU 36 -5.460 10.910 -2.090 292 1HB LEU 36 2HB LEU 36 -2.601 10.999 -1.140 293 2HB LEU 36 1HB LEU 36 -3.898 10.258 -0.224 294 HG LEU 36 HG LEU 36 -3.018 9.388 -2.980 295 1HD1 LEU 36 1HD1 LEU 36 -2.084 7.436 -1.829 296 2HD1 LEU 36 2HD1 LEU 36 -2.487 8.164 -0.274 297 3HD1 LEU 36 3HD1 LEU 36 -1.297 8.932 -1.325 298 1HD2 LEU 36 1HD2 LEU 36 -4.935 8.137 -1.014 299 2HD2 LEU 36 2HD2 LEU 36 -4.432 7.441 -2.556 300 3HD2 LEU 36 3HD2 LEU 36 -5.373 8.932 -2.526 301 H THR 37 H THR 37 -6.631 11.703 -0.455 302 HA THR 37 HA THR 37 -6.085 14.398 0.460 303 HB THR 37 HB THR 37 -8.223 14.149 1.704 304 HG1 THR 37 1HG THR 37 -8.492 11.636 0.387 305 1HG2 THR 37 1HG2 THR 37 -9.690 14.022 -0.266 306 2HG2 THR 37 2HG2 THR 37 -8.355 13.360 -1.211 307 3HG2 THR 37 3HG2 THR 37 -8.259 15.004 -0.580 308 H GLU 38 H GLU 38 -6.184 14.902 2.786 309 HA GLU 38 HA GLU 38 -4.306 13.558 4.340 310 1HB GLU 38 2HB GLU 38 -6.641 15.204 5.354 311 2HB GLU 38 1HB GLU 38 -5.115 14.923 6.176 312 1HG GLU 38 2HG GLU 38 -5.375 16.380 3.561 313 2HG GLU 38 1HG GLU 38 -5.353 17.171 5.133 314 H SER 39 H SER 39 -7.822 13.274 4.248 315 HA SER 39 HA SER 39 -8.233 11.543 6.372 316 1HB SER 39 2HB SER 39 -9.758 11.489 3.766 317 2HB SER 39 1HB SER 39 -10.357 11.105 5.376 318 HG SER 39 HG SER 39 -9.695 13.418 5.835 319 H GLU 40 H GLU 40 -7.752 10.737 2.923 320 HA GLU 40 HA GLU 40 -7.721 7.939 3.228 321 1HB GLU 40 2HB GLU 40 -6.337 9.691 1.186 322 2HB GLU 40 1HB GLU 40 -6.502 7.950 1.048 323 1HG GLU 40 2HG GLU 40 -8.844 8.100 0.776 324 2HG GLU 40 1HG GLU 40 -8.858 9.800 1.250 325 H GLN 41 H GLN 41 -5.153 10.329 3.150 326 HA GLN 41 HA GLN 41 -2.974 8.589 3.243 327 1HB GLN 41 2HB GLN 41 -3.443 11.476 3.773 328 2HB GLN 41 1HB GLN 41 -1.896 10.796 4.240 329 1HG GLN 41 2HG GLN 41 -1.487 10.067 1.976 330 2HG GLN 41 1HG GLN 41 -3.092 10.606 1.487 331 1HE2 GLN 41 1HE2 GLN 41 -2.944 13.028 3.107 332 2HE2 GLN 41 2HE2 GLN 41 -1.872 14.090 2.273 333 H ASP 42 H ASP 42 -4.893 9.969 5.850 334 HA ASP 42 HA ASP 42 -3.049 9.198 7.909 335 1HB ASP 42 2HB ASP 42 -4.594 11.065 8.243 336 2HB ASP 42 1HB ASP 42 -5.966 9.976 8.075 337 H ASP 43 H ASP 43 -6.102 7.905 6.687 338 HA ASP 43 HA ASP 43 -6.236 5.771 8.556 339 1HB ASP 43 2HB ASP 43 -8.152 6.785 7.210 340 2HB ASP 43 1HB ASP 43 -7.568 5.833 5.851 341 H PHE 44 H PHE 44 -4.878 6.146 5.347 342 HA PHE 44 HA PHE 44 -4.303 3.467 4.763 343 1HB PHE 44 2HB PHE 44 -4.147 5.305 3.125 344 2HB PHE 44 1HB PHE 44 -2.753 5.948 3.984 345 HD1 PHE 44 1HD PHE 44 -3.979 3.258 1.822 346 HD2 PHE 44 2HD PHE 44 -0.586 4.948 3.758 347 HE1 PHE 44 1HE PHE 44 -2.500 1.874 0.429 348 HE2 PHE 44 2HE PHE 44 0.901 3.567 2.367 349 HZ PHE 44 HZ PHE 44 -0.057 2.025 0.699 350 H VAL 45 H VAL 45 -2.278 5.950 6.328 351 HA VAL 45 HA VAL 45 -0.108 4.168 6.798 352 HB VAL 45 HB VAL 45 -0.738 6.824 8.104 353 1HG1 VAL 45 1HG1 VAL 45 0.789 5.473 9.470 354 2HG1 VAL 45 2HG1 VAL 45 1.602 6.874 8.771 355 3HG1 VAL 45 3HG1 VAL 45 1.850 5.272 8.075 356 1HG2 VAL 45 1HG2 VAL 45 1.101 6.122 5.817 357 2HG2 VAL 45 2HG2 VAL 45 0.918 7.721 6.539 358 3HG2 VAL 45 3HG2 VAL 45 -0.435 6.977 5.688 359 H ALA 46 H ALA 46 -2.850 5.262 8.737 360 HA ALA 46 HA ALA 46 -2.138 4.135 11.189 361 1HB ALA 46 1HB ALA 46 -4.497 4.232 11.746 362 2HB ALA 46 2HB ALA 46 -4.909 4.424 10.043 363 3HB ALA 46 3HB ALA 46 -4.008 5.689 10.881 364 H LEU 47 H LEU 47 -3.497 2.650 8.326 365 HA LEU 47 HA LEU 47 -4.366 0.231 9.489 366 1HB LEU 47 2HB LEU 47 -5.094 0.948 7.283 367 2HB LEU 47 1HB LEU 47 -3.453 0.823 6.677 368 HG LEU 47 HG LEU 47 -3.535 -1.632 7.128 369 1HD1 LEU 47 1HD1 LEU 47 -5.701 -2.685 7.490 370 2HD1 LEU 47 2HD1 LEU 47 -6.456 -1.097 7.633 371 3HD1 LEU 47 3HD1 LEU 47 -5.276 -1.623 8.833 372 1HD2 LEU 47 1HD2 LEU 47 -5.656 -0.559 5.273 373 2HD2 LEU 47 2HD2 LEU 47 -4.925 -2.163 5.194 374 3HD2 LEU 47 3HD2 LEU 47 -3.941 -0.729 4.896 375 H LEU 48 H LEU 48 -1.272 1.269 8.212 376 HA LEU 48 HA LEU 48 -0.126 -1.315 8.012 377 1HB LEU 48 2HB LEU 48 1.203 1.388 8.167 378 2HB LEU 48 1HB LEU 48 1.995 -0.104 7.695 379 HG LEU 48 HG LEU 48 -0.256 1.240 6.193 380 1HD1 LEU 48 1HD1 LEU 48 2.687 1.024 5.587 381 2HD1 LEU 48 2HD1 LEU 48 1.806 2.490 6.022 382 3HD1 LEU 48 3HD1 LEU 48 1.461 1.673 4.497 383 1HD2 LEU 48 1HD2 LEU 48 0.238 -0.421 4.445 384 2HD2 LEU 48 2HD2 LEU 48 -0.354 -1.165 5.930 385 3HD2 LEU 48 3HD2 LEU 48 1.367 -1.219 5.542 386 H GLU 49 H GLU 49 -0.652 0.733 10.694 387 HA GLU 49 HA GLU 49 1.659 0.096 12.206 388 1HB GLU 49 2HB GLU 49 -1.045 1.047 13.141 389 2HB GLU 49 1HB GLU 49 0.404 0.986 14.134 390 1HG GLU 49 2HG GLU 49 1.473 2.542 12.464 391 2HG GLU 49 1HG GLU 49 -0.130 2.735 11.750 392 H SER 50 H SER 50 -1.577 -1.358 12.054 393 HA SER 50 HA SER 50 -0.517 -3.539 13.725 394 1HB SER 50 2HB SER 50 -3.407 -2.728 13.645 395 2HB SER 50 1HB SER 50 -2.627 -3.814 14.780 396 HG SER 50 HG SER 50 -2.535 -1.003 14.643 397 H ASP 51 H ASP 51 -0.216 -5.201 12.504 398 HA ASP 51 HA ASP 51 -0.443 -6.883 10.995 399 1HB ASP 51 2HB ASP 51 -2.475 -7.072 12.666 400 2HB ASP 51 1HB ASP 51 -3.420 -6.675 11.235 401 H ASP 52 H ASP 52 -2.486 -7.481 9.155 402 HA ASP 52 HA ASP 52 -3.012 -5.158 7.523 403 1HB ASP 52 2HB ASP 52 -1.899 -6.118 5.526 404 2HB ASP 52 1HB ASP 52 -0.753 -5.688 6.784 405 HA PRO 53 HA PRO 53 -5.717 -9.040 7.468 406 1HB PRO 53 2HB PRO 53 -7.829 -7.619 8.851 407 2HB PRO 53 1HB PRO 53 -6.932 -9.044 9.376 408 1HG PRO 53 2HG PRO 53 -6.700 -6.593 10.561 409 2HG PRO 53 1HG PRO 53 -5.408 -7.808 10.555 410 1HD PRO 53 2HD PRO 53 -5.746 -5.385 8.828 411 2HD PRO 53 1HD PRO 53 -4.273 -6.044 9.574 412 H ASP 54 H ASP 54 -7.119 -5.769 7.318 413 HA ASP 54 HA ASP 54 -9.105 -6.417 5.412 414 1HB ASP 54 2HB ASP 54 -7.858 -3.721 6.017 415 2HB ASP 54 1HB ASP 54 -9.359 -3.982 5.134 416 H LEU 55 H LEU 55 -5.789 -5.362 5.185 417 HA LEU 55 HA LEU 55 -5.828 -4.702 2.412 418 1HB LEU 55 2HB LEU 55 -4.193 -3.936 4.233 419 2HB LEU 55 1HB LEU 55 -3.425 -5.498 4.056 420 HG LEU 55 HG LEU 55 -3.728 -3.603 1.734 421 1HD1 LEU 55 1HD1 LEU 55 -2.535 -2.446 3.530 422 2HD1 LEU 55 2HD1 LEU 55 -1.466 -2.831 2.181 423 3HD1 LEU 55 3HD1 LEU 55 -1.412 -3.801 3.654 424 1HD2 LEU 55 1HD2 LEU 55 -1.825 -4.857 0.846 425 2HD2 LEU 55 2HD2 LEU 55 -3.192 -5.920 1.176 426 3HD2 LEU 55 3HD2 LEU 55 -1.821 -5.876 2.286 427 H PHE 56 H PHE 56 -4.517 -7.472 4.230 428 HA PHE 56 HA PHE 56 -3.753 -9.061 2.097 429 1HB PHE 56 2HB PHE 56 -3.309 -9.446 4.554 430 2HB PHE 56 1HB PHE 56 -4.947 -10.058 4.684 431 HD1 PHE 56 1HD PHE 56 -1.658 -10.665 3.124 432 HD2 PHE 56 2HD PHE 56 -5.487 -12.270 4.066 433 HE1 PHE 56 1HE PHE 56 -0.864 -12.912 2.514 434 HE2 PHE 56 2HE PHE 56 -4.698 -14.518 3.449 435 HZ PHE 56 HZ PHE 56 -2.386 -14.842 2.675 436 H ALA 57 H ALA 57 -6.922 -8.674 3.586 437 HA ALA 57 HA ALA 57 -8.210 -10.890 2.473 438 1HB ALA 57 1HB ALA 57 -9.433 -8.245 3.238 439 2HB ALA 57 2HB ALA 57 -9.095 -9.575 4.345 440 3HB ALA 57 3HB ALA 57 -10.281 -9.781 3.058 441 H TRP 58 H TRP 58 -8.139 -7.514 1.284 442 HA TRP 58 HA TRP 58 -9.785 -8.226 -0.968 443 1HB TRP 58 2HB TRP 58 -8.400 -5.674 -0.162 444 2HB TRP 58 1HB TRP 58 -9.264 -5.835 -1.689 445 HD1 TRP 58 HD TRP 58 -10.205 -6.775 1.970 446 HE1 TRP 58 1HE TRP 58 -12.573 -5.890 2.426 447 HE3 TRP 58 3HE TRP 58 -11.145 -4.552 -2.552 448 HZ2 TRP 58 2HZ TRP 58 -14.566 -4.435 1.075 449 HZ3 TRP 58 3HZ TRP 58 -13.319 -3.422 -2.870 450 HH2 TRP 58 HH TRP 58 -14.986 -3.372 -1.097 451 H VAL 59 H VAL 59 -6.354 -7.773 -0.395 452 HA VAL 59 HA VAL 59 -5.588 -7.748 -3.131 453 HB VAL 59 HB VAL 59 -4.005 -8.479 -0.658 454 1HG1 VAL 59 1HG1 VAL 59 -3.033 -8.092 -3.488 455 2HG1 VAL 59 2HG1 VAL 59 -3.037 -9.610 -2.590 456 3HG1 VAL 59 3HG1 VAL 59 -2.004 -8.278 -2.068 457 1HG2 VAL 59 1HG2 VAL 59 -4.044 -6.017 -2.400 458 2HG2 VAL 59 2HG2 VAL 59 -2.957 -6.285 -1.036 459 3HG2 VAL 59 3HG2 VAL 59 -4.697 -6.149 -0.768 460 H MET 60 H MET 60 -5.823 -10.356 -0.725 461 HA MET 60 HA MET 60 -5.063 -12.342 -2.683 462 1HB MET 60 2HB MET 60 -6.012 -12.558 0.175 463 2HB MET 60 1HB MET 60 -5.606 -13.950 -0.818 464 1HG MET 60 2HG MET 60 -3.727 -11.715 -0.089 465 2HG MET 60 1HG MET 60 -3.782 -13.304 0.673 466 1HE MET 60 1HE MET 60 -1.161 -13.528 0.191 467 2HE MET 60 2HE MET 60 -1.154 -11.960 -0.617 468 3HE MET 60 3HE MET 60 -0.447 -13.366 -1.414 469 H GLY 61 H GLY 61 -7.926 -10.769 -1.784 470 1HA GLY 61 2HA GLY 61 -10.098 -11.027 -2.485 471 2HA GLY 61 1HA GLY 61 -9.475 -12.116 -3.718 472 H HIS 62 H HIS 62 -9.540 -12.299 -0.176 473 HA HIS 62 HA HIS 62 -11.176 -14.713 -0.338 474 1HB HIS 62 2HB HIS 62 -8.319 -14.606 0.531 475 2HB HIS 62 1HB HIS 62 -9.408 -15.704 1.368 476 HD1 HIS 62 1HD HIS 62 -7.910 -15.078 -2.050 477 HD2 HIS 62 2HD HIS 62 -10.045 -18.001 -0.001 478 HE1 HIS 62 1HE HIS 62 -7.851 -17.117 -3.519 479 HE2 HIS 62 2HE HIS 62 -9.123 -18.887 -2.248 480 H GLY 63 H GLY 63 -11.557 -11.979 0.731 481 1HA GLY 63 2HA GLY 63 -12.603 -12.717 3.287 482 2HA GLY 63 1HA GLY 63 -11.148 -11.752 3.456 483 H ARG 64 H ARG 64 -12.648 -10.339 4.600 484 HA ARG 64 HA ARG 64 -13.848 -8.388 2.775 485 1HB ARG 64 2HB ARG 64 -15.631 -9.959 3.555 486 2HB ARG 64 1HB ARG 64 -15.267 -9.498 5.209 487 1HG ARG 64 2HG ARG 64 -16.000 -7.242 4.790 488 2HG ARG 64 1HG ARG 64 -16.231 -7.603 3.075 489 1HD ARG 64 2HD ARG 64 -17.941 -9.251 3.656 490 2HD ARG 64 1HD ARG 64 -17.710 -8.891 5.367 491 HE ARG 64 HE ARG 64 -18.429 -6.536 4.693 492 1HH1 ARG 64 1HH1 ARG 64 -19.543 -9.451 3.081 493 2HH1 ARG 64 2HH1 ARG 64 -21.073 -8.763 2.631 494 1HH2 ARG 64 1HH2 ARG 64 -20.459 -5.640 4.107 495 2HH2 ARG 64 2HH2 ARG 64 -21.599 -6.612 3.224 496 H CYS 65 H CYS 65 -14.179 -6.274 3.879 497 HA CYS 65 HA CYS 65 -12.175 -5.929 6.005 498 1HB CYS 65 2HB CYS 65 -12.055 -3.587 5.279 499 2HB CYS 65 1HB CYS 65 -11.719 -4.682 3.944 500 HG CYS 65 HG CYS 65 -13.750 -2.224 3.955 501 H GLU 66 H GLU 66 -12.653 -4.153 7.575 502 HA GLU 66 HA GLU 66 -15.333 -4.455 8.587 503 1HB GLU 66 2HB GLU 66 -12.829 -3.197 9.554 504 2HB GLU 66 1HB GLU 66 -14.338 -2.549 10.184 505 1HG GLU 66 2HG GLU 66 -13.469 -5.428 10.311 506 2HG GLU 66 1HG GLU 66 -13.437 -4.269 11.641 507 H ASN 67 H ASN 67 -13.434 -1.753 7.266 508 HA ASN 67 HA ASN 67 -15.994 -0.429 6.670 509 1HB ASN 67 2HB ASN 67 -15.118 1.729 7.183 510 2HB ASN 67 1HB ASN 67 -14.743 0.699 8.559 511 1HD2 ASN 67 1HD2 ASN 67 -12.613 0.235 9.037 512 2HD2 ASN 67 2HD2 ASN 67 -11.290 1.038 8.251 513 H LEU 68 H LEU 68 -16.053 0.806 4.746 514 HA LEU 68 HA LEU 68 -14.419 -0.358 2.694 515 1HB LEU 68 2HB LEU 68 -16.641 1.656 2.618 516 2HB LEU 68 1HB LEU 68 -15.749 1.183 1.186 517 HG LEU 68 HG LEU 68 -17.584 -0.496 2.877 518 1HD1 LEU 68 1HD1 LEU 68 -18.688 -0.890 0.749 519 2HD1 LEU 68 2HD1 LEU 68 -17.474 0.089 -0.076 520 3HD1 LEU 68 3HD1 LEU 68 -18.575 0.838 1.084 521 1HD2 LEU 68 1HD2 LEU 68 -16.927 -2.433 1.546 522 2HD2 LEU 68 2HD2 LEU 68 -15.565 -1.816 2.481 523 3HD2 LEU 68 3HD2 LEU 68 -15.676 -1.475 0.755 524 H GLY 69 H GLY 69 -14.154 2.441 4.612 525 1HA GLY 69 2HA GLY 69 -12.793 4.182 2.879 526 2HA GLY 69 1HA GLY 69 -12.577 4.119 4.625 527 H LEU 70 H LEU 70 -11.507 1.704 5.083 528 HA LEU 70 HA LEU 70 -8.841 1.857 4.152 529 1HB LEU 70 2HB LEU 70 -10.409 -0.248 5.610 530 2HB LEU 70 1HB LEU 70 -8.759 -0.548 5.098 531 HG LEU 70 HG LEU 70 -9.595 1.715 6.917 532 1HD1 LEU 70 1HD1 LEU 70 -8.590 0.397 8.707 533 2HD1 LEU 70 2HD1 LEU 70 -8.286 -0.924 7.578 534 3HD1 LEU 70 3HD1 LEU 70 -9.943 -0.466 7.974 535 1HD2 LEU 70 1HD2 LEU 70 -7.183 1.898 7.328 536 2HD2 LEU 70 2HD2 LEU 70 -7.582 2.181 5.633 537 3HD2 LEU 70 3HD2 LEU 70 -6.888 0.637 6.131 538 H ALA 71 H ALA 71 -11.658 0.063 3.116 539 HA ALA 71 HA ALA 71 -10.402 -1.726 1.350 540 1HB ALA 71 1HB ALA 71 -12.599 -1.999 0.336 541 2HB ALA 71 2HB ALA 71 -13.178 -0.561 1.178 542 3HB ALA 71 3HB ALA 71 -12.714 -1.995 2.096 543 H ALA 72 H ALA 72 -11.600 1.575 0.911 544 HA ALA 72 HA ALA 72 -11.174 1.751 -1.866 545 1HB ALA 72 1HB ALA 72 -12.492 3.388 -0.612 546 2HB ALA 72 2HB ALA 72 -11.212 4.165 -1.542 547 3HB ALA 72 3HB ALA 72 -11.028 3.946 0.197 548 H MET 73 H MET 73 -9.036 2.191 0.885 549 HA MET 73 HA MET 73 -6.824 3.170 -0.624 550 1HB MET 73 2HB MET 73 -6.974 1.879 2.102 551 2HB MET 73 1HB MET 73 -5.499 2.544 1.418 552 1HG MET 73 2HG MET 73 -8.009 4.120 1.940 553 2HG MET 73 1HG MET 73 -6.627 4.043 3.027 554 1HE MET 73 1HE MET 73 -8.225 5.750 -0.027 555 2HE MET 73 2HE MET 73 -7.219 4.578 -0.879 556 3HE MET 73 3HE MET 73 -6.845 6.299 -0.979 557 H VAL 74 H VAL 74 -7.716 -0.020 0.646 558 HA VAL 74 HA VAL 74 -5.460 -1.393 -0.347 559 HB VAL 74 HB VAL 74 -8.221 -2.512 0.176 560 1HG1 VAL 74 1HG1 VAL 74 -7.040 -4.654 0.473 561 2HG1 VAL 74 2HG1 VAL 74 -5.538 -3.878 -0.033 562 3HG1 VAL 74 3HG1 VAL 74 -6.882 -4.024 -1.166 563 1HG2 VAL 74 1HG2 VAL 74 -7.321 -1.384 2.138 564 2HG2 VAL 74 2HG2 VAL 74 -5.822 -2.303 1.995 565 3HG2 VAL 74 3HG2 VAL 74 -7.331 -3.131 2.377 566 H ASP 75 H ASP 75 -8.615 -0.699 -1.749 567 HA ASP 75 HA ASP 75 -8.523 -2.234 -4.060 568 1HB ASP 75 2HB ASP 75 -10.536 -1.083 -3.503 569 2HB ASP 75 1HB ASP 75 -9.730 0.479 -3.524 570 H LYS 76 H LYS 76 -7.262 1.027 -3.516 571 HA LYS 76 HA LYS 76 -6.245 1.387 -6.126 572 1HB LYS 76 2HB LYS 76 -5.401 2.678 -3.522 573 2HB LYS 76 1HB LYS 76 -4.936 3.237 -5.124 574 1HG LYS 76 2HG LYS 76 -7.327 3.587 -5.652 575 2HG LYS 76 1HG LYS 76 -7.725 3.127 -3.999 576 1HD LYS 76 2HD LYS 76 -6.417 5.018 -3.156 577 2HD LYS 76 1HD LYS 76 -6.010 5.475 -4.814 578 1HE LYS 76 2HE LYS 76 -8.434 5.713 -5.286 579 2HE LYS 76 1HE LYS 76 -8.765 5.394 -3.585 580 1HZ LYS 76 1HZ LYS 76 -7.638 7.400 -2.969 581 2HZ LYS 76 2HZ LYS 76 -8.743 7.781 -4.194 582 3HZ LYS 76 3HZ LYS 76 -7.096 7.655 -4.558 583 H ILE 77 H ILE 77 -4.891 -0.028 -3.204 584 HA ILE 77 HA ILE 77 -2.248 -0.403 -4.138 585 HB ILE 77 HB ILE 77 -3.810 -2.094 -2.170 586 1HG1 ILE 77 2HG1 ILE 77 -1.897 0.203 -1.684 587 2HG1 ILE 77 1HG1 ILE 77 -3.651 0.300 -1.548 588 1HG2 ILE 77 1HG2 ILE 77 -1.606 -2.787 -1.342 589 2HG2 ILE 77 2HG2 ILE 77 -0.835 -1.867 -2.635 590 3HG2 ILE 77 3HG2 ILE 77 -1.847 -3.257 -3.025 591 1HD1 ILE 77 1HD1 ILE 77 -3.579 -1.357 0.262 592 2HD1 ILE 77 2HD1 ILE 77 -2.639 0.088 0.631 593 3HD1 ILE 77 3HD1 ILE 77 -1.820 -1.393 0.138 594 H VAL 78 H VAL 78 -5.121 -2.490 -4.180 595 HA VAL 78 HA VAL 78 -3.987 -4.726 -5.416 596 HB VAL 78 HB VAL 78 -6.853 -3.761 -5.606 597 1HG1 VAL 78 1HG1 VAL 78 -6.344 -5.375 -7.358 598 2HG1 VAL 78 2HG1 VAL 78 -7.390 -6.094 -6.133 599 3HG1 VAL 78 3HG1 VAL 78 -5.670 -6.479 -6.160 600 1HG2 VAL 78 1HG2 VAL 78 -7.275 -5.348 -3.802 601 2HG2 VAL 78 2HG2 VAL 78 -6.105 -4.121 -3.312 602 3HG2 VAL 78 3HG2 VAL 78 -5.556 -5.741 -3.743 603 H ALA 79 H ALA 79 -5.654 -1.928 -6.852 604 HA ALA 79 HA ALA 79 -5.521 -2.704 -9.530 605 1HB ALA 79 1HB ALA 79 -6.838 -0.795 -8.734 606 2HB ALA 79 2HB ALA 79 -5.772 -0.327 -10.059 607 3HB ALA 79 3HB ALA 79 -5.353 0.092 -8.398 608 H HIS 80 H HIS 80 -3.166 -1.016 -7.516 609 HA HIS 80 HA HIS 80 -1.295 -0.534 -9.600 610 1HB HIS 80 2HB HIS 80 -1.395 0.698 -7.402 611 2HB HIS 80 1HB HIS 80 -0.713 -0.731 -6.638 612 HD1 HIS 80 1HD HIS 80 1.530 0.156 -5.973 613 HD2 HIS 80 2HD HIS 80 0.666 0.877 -9.975 614 HE1 HIS 80 1HE HIS 80 3.644 1.080 -6.964 615 HE2 HIS 80 2HE HIS 80 2.992 1.785 -9.298 616 H ASN 81 H ASN 81 -1.730 -3.126 -7.244 617 HA ASN 81 HA ASN 81 0.675 -4.518 -7.866 618 1HB ASN 81 2HB ASN 81 -0.635 -4.829 -5.757 619 2HB ASN 81 1HB ASN 81 -1.873 -5.657 -6.697 620 1HD2 ASN 81 1HD2 ASN 81 -1.679 -7.625 -5.753 621 2HD2 ASN 81 2HD2 ASN 81 -0.264 -8.613 -5.886 622 H LEU 82 H LEU 82 -2.699 -4.922 -8.932 623 HA LEU 82 HA LEU 82 -2.354 -7.164 -10.527 624 1HB LEU 82 2HB LEU 82 -4.220 -4.811 -10.774 625 2HB LEU 82 1HB LEU 82 -4.326 -6.223 -11.791 626 HG LEU 82 HG LEU 82 -4.676 -6.183 -8.799 627 1HD1 LEU 82 1HD1 LEU 82 -7.007 -6.735 -9.305 628 2HD1 LEU 82 2HD1 LEU 82 -6.664 -6.590 -11.029 629 3HD1 LEU 82 3HD1 LEU 82 -6.545 -5.174 -9.984 630 1HD2 LEU 82 1HD2 LEU 82 -4.921 -8.458 -10.764 631 2HD2 LEU 82 2HD2 LEU 82 -5.334 -8.529 -9.051 632 3HD2 LEU 82 3HD2 LEU 82 -3.661 -8.267 -9.545 633 H SER 83 H SER 83 -1.574 -3.819 -11.113 634 HA SER 83 HA SER 83 -1.200 -3.992 -13.899 635 1HB SER 83 2HB SER 83 0.085 -2.119 -11.896 636 2HB SER 83 1HB SER 83 0.093 -1.902 -13.646 637 HG SER 83 HG SER 83 -2.189 -1.953 -11.945 638 H LYS 84 H LYS 84 1.165 -4.285 -11.210 639 HA LYS 84 HA LYS 84 3.324 -4.806 -12.993 640 1HB LYS 84 2HB LYS 84 4.549 -5.603 -10.960 641 2HB LYS 84 1HB LYS 84 3.909 -3.971 -10.836 642 1HG LYS 84 2HG LYS 84 2.217 -4.632 -9.354 643 2HG LYS 84 1HG LYS 84 2.440 -6.341 -9.733 644 1HD LYS 84 2HD LYS 84 4.587 -4.670 -8.449 645 2HD LYS 84 1HD LYS 84 3.367 -5.533 -7.511 646 1HE LYS 84 2HE LYS 84 4.078 -7.640 -8.547 647 2HE LYS 84 1HE LYS 84 5.308 -6.770 -9.460 648 1HZ LYS 84 1HZ LYS 84 5.211 -6.705 -6.507 649 2HZ LYS 84 2HZ LYS 84 6.500 -6.294 -7.521 650 3HZ LYS 84 3HZ LYS 84 6.044 -7.915 -7.345 651 H VAL 85 H VAL 85 0.837 -6.766 -11.624 652 HA VAL 85 HA VAL 85 2.145 -9.275 -12.129 653 HB VAL 85 HB VAL 85 -0.786 -8.671 -11.672 654 1HG1 VAL 85 1HG1 VAL 85 -1.009 -11.072 -11.191 655 2HG1 VAL 85 2HG1 VAL 85 0.670 -11.317 -11.671 656 3HG1 VAL 85 3HG1 VAL 85 -0.516 -10.779 -12.859 657 1HG2 VAL 85 1HG2 VAL 85 0.637 -8.096 -9.768 658 2HG2 VAL 85 2HG2 VAL 85 1.326 -9.720 -9.789 659 3HG2 VAL 85 3HG2 VAL 85 -0.381 -9.490 -9.409 660 H ARG 86 H ARG 86 -0.233 -7.270 -13.824 661 HA ARG 86 HA ARG 86 -0.636 -9.116 -15.963 662 1HB ARG 86 2HB ARG 86 -1.973 -7.431 -16.968 663 2HB ARG 86 1HB ARG 86 -2.226 -7.304 -15.239 664 1HG ARG 86 2HG ARG 86 -0.707 -5.404 -15.143 665 2HG ARG 86 1HG ARG 86 -0.442 -5.532 -16.882 666 1HD ARG 86 2HD ARG 86 -2.801 -5.088 -17.289 667 2HD ARG 86 1HD ARG 86 -3.097 -5.005 -15.552 668 HE ARG 86 HE ARG 86 -1.078 -3.169 -16.262 669 1HH1 ARG 86 1HH1 ARG 86 -4.535 -3.614 -16.673 670 2HH1 ARG 86 2HH1 ARG 86 -4.869 -1.911 -16.725 671 1HH2 ARG 86 1HH2 ARG 86 -1.524 -0.942 -16.302 672 2HH2 ARG 86 2HH2 ARG 86 -3.163 -0.386 -16.468 673 H LEU 87 H LEU 87 1.817 -6.908 -15.218 674 HA LEU 87 HA LEU 87 2.765 -6.254 -17.782 675 1HB LEU 87 2HB LEU 87 4.173 -6.508 -15.133 676 2HB LEU 87 1HB LEU 87 4.980 -5.975 -16.589 677 HG LEU 87 HG LEU 87 2.690 -4.584 -15.213 678 1HD1 LEU 87 1HD1 LEU 87 4.344 -2.822 -14.811 679 2HD1 LEU 87 2HD1 LEU 87 5.591 -3.836 -15.538 680 3HD1 LEU 87 3HD1 LEU 87 4.803 -4.343 -14.044 681 1HD2 LEU 87 1HD2 LEU 87 4.203 -3.824 -17.707 682 2HD2 LEU 87 2HD2 LEU 87 3.015 -2.817 -16.878 683 3HD2 LEU 87 3HD2 LEU 87 2.517 -4.335 -17.626 684 H GLU 88 H GLU 88 3.322 -9.056 -15.714 685 HA GLU 88 HA GLU 88 4.342 -11.038 -16.021 686 1HB GLU 88 2HB GLU 88 3.719 -10.305 -18.840 687 2HB GLU 88 1HB GLU 88 4.576 -11.797 -18.450 688 1HG GLU 88 2HG GLU 88 2.015 -11.062 -17.096 689 2HG GLU 88 1HG GLU 88 2.048 -11.878 -18.639 690 H HIS 89 H HIS 89 6.368 -11.822 -15.938 691 HA HIS 89 HA HIS 89 8.642 -11.801 -15.857 692 1HB HIS 89 2HB HIS 89 8.261 -10.397 -18.511 693 2HB HIS 89 1HB HIS 89 9.842 -10.843 -17.882 694 HD1 HIS 89 1HD HIS 89 10.628 -12.837 -19.119 695 HD2 HIS 89 2HD HIS 89 6.554 -13.038 -18.291 696 HE1 HIS 89 1HE HIS 89 9.865 -15.061 -19.998 697 HE2 HIS 89 2HE HIS 89 7.363 -15.058 -19.696 698 H HIS 90 H HIS 90 10.281 -9.571 -17.034 699 HA HIS 90 HA HIS 90 11.117 -7.526 -16.531 700 1HB HIS 90 2HB HIS 90 8.657 -6.885 -16.910 701 2HB HIS 90 1HB HIS 90 8.521 -6.834 -15.157 702 HD1 HIS 90 1HD HIS 90 10.504 -5.183 -17.949 703 HD2 HIS 90 2HD HIS 90 9.256 -4.451 -14.048 704 HE1 HIS 90 1HE HIS 90 11.119 -2.793 -17.476 705 HE2 HIS 90 2HE HIS 90 10.108 -2.311 -15.225 706 H HIS 91 H HIS 91 10.866 -9.876 -14.567 707 HA HIS 91 HA HIS 91 11.840 -10.453 -12.607 708 1HB HIS 91 2HB HIS 91 13.650 -8.979 -13.654 709 2HB HIS 91 1HB HIS 91 13.105 -7.712 -12.563 710 HD1 HIS 91 1HD HIS 91 14.728 -7.539 -10.694 711 HD2 HIS 91 2HD HIS 91 14.062 -11.493 -11.812 712 HE1 HIS 91 1HE HIS 91 16.122 -8.930 -9.138 713 HE2 HIS 91 2HE HIS 91 15.623 -11.321 -9.751 714 H HIS 92 H HIS 92 9.268 -8.806 -12.646 715 HA HIS 92 HA HIS 92 7.709 -8.179 -11.107 716 1HB HIS 92 2HB HIS 92 9.696 -9.554 -9.321 717 2HB HIS 92 1HB HIS 92 8.296 -8.739 -8.635 718 HD1 HIS 92 1HD HIS 92 6.558 -10.384 -8.095 719 HD2 HIS 92 2HD HIS 92 8.593 -11.374 -11.594 720 HE1 HIS 92 1HE HIS 92 5.481 -12.501 -8.941 721 HE2 HIS 92 2HE HIS 92 6.788 -13.130 -11.003 722 H HIS 93 H HIS 93 10.163 -6.425 -11.743 723 HA HIS 93 HA HIS 93 11.040 -4.418 -11.175 724 1HB HIS 93 2HB HIS 93 8.724 -3.640 -11.141 725 2HB HIS 93 1HB HIS 93 8.540 -4.181 -9.478 726 HD1 HIS 93 1HD HIS 93 10.931 -1.812 -11.311 727 HD2 HIS 93 2HD HIS 93 8.770 -2.124 -7.767 728 HE1 HIS 93 1HE HIS 93 11.376 0.321 -10.052 729 HE2 HIS 93 2HE HIS 93 10.191 0.043 -7.843 730 H HIS 94 H HIS 94 12.452 -6.166 -10.133 731 HA HIS 94 HA HIS 94 12.834 -5.438 -7.305 732 1HB HIS 94 2HB HIS 94 13.222 -8.086 -8.682 733 2HB HIS 94 1HB HIS 94 14.123 -7.692 -7.224 734 HD1 HIS 94 1HD HIS 94 12.873 -9.692 -6.074 735 HD2 HIS 94 2HD HIS 94 10.437 -6.533 -7.241 736 HE1 HIS 94 1HE HIS 94 10.696 -10.031 -4.861 737 HE2 HIS 94 2HE HIS 94 9.177 -8.202 -5.715
Contact the webmaster for help, if required. Sunday, May 19, 2024 11:40:40 AM GMT (wattos1)