NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
580736 | 2mra | 25067 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 8.284 -19.121 -9.751 2 H2 MET 1 2H MET 1 7.621 -20.650 -10.031 3 H3 MET 1 3H MET 1 6.693 -19.457 -9.278 4 HA MET 1 HA MET 1 6.677 -18.129 -11.248 5 HB2 MET 1 2HB MET 1 8.170 -20.447 -12.565 6 HB3 MET 1 3HB MET 1 7.651 -18.968 -13.360 7 HG2 MET 1 2HG MET 1 9.258 -17.675 -12.054 8 HG3 MET 1 3HG MET 1 9.728 -19.124 -11.161 9 HE1 MET 1 3HE MET 1 12.320 -18.951 -11.715 10 HE2 MET 1 1HE MET 1 11.974 -17.384 -12.458 11 HE3 MET 1 2HE MET 1 12.934 -18.581 -13.326 12 H ALA 2 H ALA 2 4.511 -18.714 -10.543 13 HA ALA 2 HA ALA 2 3.173 -20.637 -12.308 14 HB1 ALA 2 3HB ALA 2 3.015 -20.951 -9.286 15 HB2 ALA 2 1HB ALA 2 3.877 -22.027 -10.388 16 HB3 ALA 2 2HB ALA 2 2.119 -21.900 -10.479 17 H GLY 3 H GLY 3 2.959 -18.142 -9.808 18 HA2 GLY 3 2HA GLY 3 1.353 -16.372 -9.804 19 HA3 GLY 3 3HA GLY 3 0.233 -17.375 -10.713 20 H LYS 4 H LYS 4 1.634 -19.257 -8.382 21 HA LYS 4 HA LYS 4 -0.516 -19.223 -6.452 22 HB2 LYS 4 2HB LYS 4 0.580 -21.337 -6.863 23 HB3 LYS 4 3HB LYS 4 2.183 -20.643 -6.667 24 HG2 LYS 4 2HG LYS 4 1.651 -22.056 -4.763 25 HG3 LYS 4 3HG LYS 4 1.756 -20.375 -4.233 26 HD2 LYS 4 2HD LYS 4 -0.717 -20.222 -4.242 27 HD3 LYS 4 3HD LYS 4 -0.823 -21.897 -4.788 28 HE2 LYS 4 2HE LYS 4 0.337 -20.955 -2.144 29 HE3 LYS 4 3HE LYS 4 -1.238 -21.717 -2.374 30 HZ1 LYS 4 3HZ LYS 4 1.419 -22.959 -2.820 31 HZ2 LYS 4 1HZ LYS 4 -0.047 -23.695 -3.227 32 HZ3 LYS 4 2HZ LYS 4 0.305 -23.345 -1.615 33 H GLU 5 H GLU 5 2.649 -17.858 -6.837 34 HA GLU 5 HA GLU 5 3.073 -17.170 -4.075 35 HB2 GLU 5 2HB GLU 5 4.753 -16.050 -6.344 36 HB3 GLU 5 3HB GLU 5 5.230 -16.490 -4.712 37 HG2 GLU 5 2HG GLU 5 6.219 -18.218 -5.860 38 HG3 GLU 5 3HG GLU 5 4.655 -18.953 -5.541 39 H LEU 6 H LEU 6 2.507 -15.294 -3.124 40 HA LEU 6 HA LEU 6 0.939 -13.355 -4.568 41 HB2 LEU 6 2HB LEU 6 1.845 -13.280 -1.661 42 HB3 LEU 6 3HB LEU 6 0.580 -12.295 -2.386 43 HG LEU 6 HG LEU 6 0.513 -15.273 -1.796 44 HD11 LEU 6 1HD1 LEU 6 -1.282 -13.009 -0.881 45 HD12 LEU 6 2HD1 LEU 6 -0.044 -13.824 0.081 46 HD13 LEU 6 3HD1 LEU 6 -1.462 -14.716 -0.463 47 HD21 LEU 6 3HD2 LEU 6 -1.493 -13.730 -3.474 48 HD22 LEU 6 1HD2 LEU 6 -1.723 -15.366 -2.851 49 HD23 LEU 6 2HD2 LEU 6 -0.445 -15.044 -4.017 50 H ARG 7 H ARG 7 2.177 -12.201 -5.942 51 HA ARG 7 HA ARG 7 4.680 -10.962 -5.004 52 HB2 ARG 7 2HB ARG 7 4.836 -12.197 -7.116 53 HB3 ARG 7 3HB ARG 7 3.512 -11.261 -7.807 54 HG2 ARG 7 2HG ARG 7 4.891 -9.217 -7.701 55 HG3 ARG 7 3HG ARG 7 6.212 -10.140 -6.984 56 HD2 ARG 7 2HD ARG 7 6.508 -11.414 -9.025 57 HD3 ARG 7 3HD ARG 7 5.047 -10.702 -9.731 58 HE ARG 7 HE ARG 7 7.349 -8.990 -8.998 59 HH11 ARG 7 1HH1 ARG 7 5.159 -10.188 -11.470 60 HH12 ARG 7 2HH1 ARG 7 5.700 -9.045 -12.667 61 HH21 ARG 7 1HH2 ARG 7 7.992 -7.468 -10.566 62 HH22 ARG 7 2HH2 ARG 7 7.292 -7.520 -12.156 63 H VAL 8 H VAL 8 4.383 -9.053 -4.058 64 HA VAL 8 HA VAL 8 2.243 -7.227 -4.956 65 HB VAL 8 HB VAL 8 3.923 -6.757 -2.472 66 HG11 VAL 8 1HG1 VAL 8 1.876 -5.652 -1.641 67 HG12 VAL 8 2HG1 VAL 8 1.033 -6.089 -3.130 68 HG13 VAL 8 3HG1 VAL 8 2.400 -4.972 -3.185 69 HG21 VAL 8 3HG2 VAL 8 1.524 -8.608 -2.501 70 HG22 VAL 8 1HG2 VAL 8 2.417 -8.079 -1.077 71 HG23 VAL 8 2HG2 VAL 8 3.200 -9.104 -2.281 72 H GLU 9 H GLU 9 2.878 -5.565 -6.238 73 HA GLU 9 HA GLU 9 5.668 -4.571 -6.122 74 HB2 GLU 9 2HB GLU 9 4.981 -5.683 -8.276 75 HB3 GLU 9 3HB GLU 9 3.715 -4.476 -8.465 76 HG2 GLU 9 2HG GLU 9 5.476 -2.697 -8.528 77 HG3 GLU 9 3HG GLU 9 6.710 -3.953 -8.445 78 H ILE 10 H ILE 10 5.519 -2.845 -4.744 79 HA ILE 10 HA ILE 10 3.160 -1.099 -4.761 80 HB ILE 10 HB ILE 10 5.651 -1.026 -2.988 81 HG12 ILE 10 2HG1 ILE 10 4.266 -3.076 -2.646 82 HG13 ILE 10 3HG1 ILE 10 4.267 -2.034 -1.229 83 HG21 ILE 10 1HG2 ILE 10 4.368 0.507 -1.532 84 HG22 ILE 10 2HG2 ILE 10 3.043 0.513 -2.699 85 HG23 ILE 10 3HG2 ILE 10 4.610 1.196 -3.138 86 HD11 ILE 10 3HD1 ILE 10 2.092 -2.979 -1.637 87 HD12 ILE 10 1HD1 ILE 10 2.051 -2.281 -3.254 88 HD13 ILE 10 2HD1 ILE 10 2.037 -1.228 -1.834 89 H LYS 11 H LYS 11 3.150 0.715 -5.910 90 HA LYS 11 HA LYS 11 5.613 1.864 -7.086 91 HB2 LYS 11 2HB LYS 11 2.790 2.684 -7.867 92 HB3 LYS 11 3HB LYS 11 4.256 2.713 -8.841 93 HG2 LYS 11 2HG LYS 11 2.924 0.142 -7.963 94 HG3 LYS 11 3HG LYS 11 2.466 0.981 -9.442 95 HD2 LYS 11 2HD LYS 11 5.328 0.106 -8.895 96 HD3 LYS 11 3HD LYS 11 4.139 -0.960 -9.658 97 HE2 LYS 11 2HE LYS 11 3.800 0.945 -11.379 98 HE3 LYS 11 3HE LYS 11 5.284 1.639 -10.716 99 HZ1 LYS 11 3HZ LYS 11 5.108 -1.136 -11.753 100 HZ2 LYS 11 1HZ LYS 11 6.504 -0.265 -11.378 101 HZ3 LYS 11 2HZ LYS 11 5.570 0.178 -12.710 102 H ILE 12 H ILE 12 6.400 3.532 -5.789 103 HA ILE 12 HA ILE 12 4.448 5.391 -4.529 104 HB ILE 12 HB ILE 12 7.450 5.113 -3.985 105 HG12 ILE 12 2HG1 ILE 12 6.233 3.125 -3.157 106 HG13 ILE 12 3HG1 ILE 12 6.794 4.094 -1.801 107 HG21 ILE 12 1HG2 ILE 12 6.684 7.406 -3.554 108 HG22 ILE 12 2HG2 ILE 12 7.041 6.598 -2.030 109 HG23 ILE 12 3HG2 ILE 12 5.366 6.808 -2.541 110 HD11 ILE 12 3HD1 ILE 12 4.515 4.999 -1.541 111 HD12 ILE 12 1HD1 ILE 12 4.580 3.241 -1.391 112 HD13 ILE 12 2HD1 ILE 12 3.980 3.973 -2.877 113 H ASP 13 H ASP 13 3.985 7.128 -5.822 114 HA ASP 13 HA ASP 13 5.964 8.048 -7.796 115 HB2 ASP 13 2HB ASP 13 3.669 7.771 -8.616 116 HB3 ASP 13 3HB ASP 13 3.049 8.850 -7.373 117 H CYS 14 H CYS 14 7.481 9.235 -6.816 118 HA CYS 14 HA CYS 14 6.765 11.547 -5.118 119 HB2 CYS 14 2HB CYS 14 8.534 10.011 -4.285 120 HB3 CYS 14 3HB CYS 14 9.473 10.275 -5.751 121 HG CYS 14 HG CYS 14 10.000 12.945 -5.223 122 H GLY 15 H GLY 15 6.020 11.542 -7.883 123 HA2 GLY 15 2HA GLY 15 6.148 12.852 -9.773 124 HA3 GLY 15 3HA GLY 15 7.503 13.723 -9.065 125 H ASN 16 H ASN 16 6.539 10.847 -10.836 126 HA ASN 16 HA ASN 16 8.989 9.465 -10.912 127 HB2 ASN 16 2HB ASN 16 6.799 8.396 -11.426 128 HB3 ASN 16 3HB ASN 16 6.685 9.333 -12.915 129 HD21 ASN 16 1HD2 ASN 16 6.525 7.324 -14.047 130 HD22 ASN 16 2HD2 ASN 16 7.924 6.363 -14.370 131 H ASP 17 H ASP 17 10.774 10.357 -11.629 132 HA ASP 17 HA ASP 17 10.893 11.910 -14.154 133 HB2 ASP 17 2HB ASP 17 11.243 13.355 -12.199 134 HB3 ASP 17 3HB ASP 17 12.459 12.262 -11.550 135 H ASP 18 H ASP 18 12.846 9.935 -11.885 136 HA ASP 18 HA ASP 18 14.797 9.225 -13.938 137 HB2 ASP 18 2HB ASP 18 15.579 9.718 -11.646 138 HB3 ASP 18 3HB ASP 18 14.579 8.423 -10.998 139 H LYS 19 H LYS 19 12.990 7.223 -11.576 140 HA LYS 19 HA LYS 19 12.094 5.358 -13.626 141 HB2 LYS 19 2HB LYS 19 14.389 4.569 -13.095 142 HB3 LYS 19 3HB LYS 19 13.993 4.510 -11.380 143 HG2 LYS 19 2HG LYS 19 12.252 2.760 -11.913 144 HG3 LYS 19 3HG LYS 19 12.819 2.767 -13.585 145 HD2 LYS 19 2HD LYS 19 14.507 2.048 -11.153 146 HD3 LYS 19 3HD LYS 19 13.779 0.894 -12.271 147 HE2 LYS 19 2HE LYS 19 15.159 1.736 -14.099 148 HE3 LYS 19 3HE LYS 19 15.833 2.990 -13.059 149 HZ1 LYS 19 3HZ LYS 19 16.186 0.060 -12.701 150 HZ2 LYS 19 1HZ LYS 19 16.818 1.259 -11.687 151 HZ3 LYS 19 2HZ LYS 19 17.347 1.143 -13.284 152 H GLU 20 H GLU 20 10.325 4.187 -12.957 153 HA GLU 20 HA GLU 20 8.726 4.899 -10.768 154 HB2 GLU 20 2HB GLU 20 7.505 2.704 -11.299 155 HB3 GLU 20 3HB GLU 20 7.666 3.825 -12.646 156 HG2 GLU 20 2HG GLU 20 9.486 2.501 -13.602 157 HG3 GLU 20 3HG GLU 20 9.493 1.442 -12.194 158 H THR 21 H THR 21 8.720 4.209 -8.641 159 HA THR 21 HA THR 21 10.961 2.504 -7.803 160 HB THR 21 HB THR 21 10.534 3.354 -5.512 161 HG1 THR 21 HG1 THR 21 8.611 5.136 -6.616 162 HG21 THR 21 3HG2 THR 21 11.211 5.686 -5.860 163 HG22 THR 21 1HG2 THR 21 10.700 5.607 -7.548 164 HG23 THR 21 2HG2 THR 21 12.063 4.631 -6.990 165 H THR 22 H THR 22 10.426 0.464 -7.903 166 HA THR 22 HA THR 22 7.758 -0.509 -7.108 167 HB THR 22 HB THR 22 8.498 -2.632 -8.276 168 HG1 THR 22 HG1 THR 22 10.784 -2.252 -8.099 169 HG21 THR 22 3HG2 THR 22 7.138 -0.989 -9.498 170 HG22 THR 22 1HG2 THR 22 8.310 -1.745 -10.583 171 HG23 THR 22 2HG2 THR 22 8.595 -0.111 -9.979 172 H TYR 23 H TYR 23 7.567 -1.541 -5.240 173 HA TYR 23 HA TYR 23 9.984 -2.432 -3.786 174 HB2 TYR 23 2HB TYR 23 7.234 -1.527 -2.821 175 HB3 TYR 23 3HB TYR 23 8.473 -2.204 -1.756 176 HD1 TYR 23 HD1 TYR 23 7.523 0.764 -3.770 177 HD2 TYR 23 HD2 TYR 23 10.553 -0.961 -1.293 178 HE1 TYR 23 HE1 TYR 23 8.674 2.932 -3.662 179 HE2 TYR 23 HE2 TYR 23 11.687 1.218 -1.172 180 HH TYR 23 HH TYR 23 11.820 3.276 -2.628 181 H ASP 24 H ASP 24 10.256 -4.528 -3.512 182 HA ASP 24 HA ASP 24 8.197 -6.418 -4.426 183 HB2 ASP 24 2HB ASP 24 11.109 -7.015 -3.736 184 HB3 ASP 24 3HB ASP 24 9.974 -8.073 -4.571 185 H LEU 25 H LEU 25 6.985 -7.357 -2.947 186 HA LEU 25 HA LEU 25 8.137 -8.450 -0.503 187 HB2 LEU 25 2HB LEU 25 6.301 -7.563 0.931 188 HB3 LEU 25 3HB LEU 25 7.408 -6.331 0.372 189 HG LEU 25 HG LEU 25 4.691 -6.768 -0.931 190 HD11 LEU 25 1HD1 LEU 25 5.356 -4.839 1.310 191 HD12 LEU 25 2HD1 LEU 25 4.304 -6.252 1.424 192 HD13 LEU 25 3HD1 LEU 25 3.839 -4.892 0.405 193 HD21 LEU 25 3HD2 LEU 25 6.545 -4.362 -0.949 194 HD22 LEU 25 1HD2 LEU 25 4.972 -4.476 -1.742 195 HD23 LEU 25 2HD2 LEU 25 6.301 -5.491 -2.284 196 H TYR 26 H TYR 26 6.809 -10.074 0.445 197 HA TYR 26 HA TYR 26 4.756 -11.241 -1.330 198 HB2 TYR 26 2HB TYR 26 7.135 -12.726 -0.090 199 HB3 TYR 26 3HB TYR 26 5.817 -13.493 -0.972 200 HD1 TYR 26 HD1 TYR 26 5.644 -13.252 -3.436 201 HD2 TYR 26 HD2 TYR 26 8.914 -11.494 -1.301 202 HE1 TYR 26 HE1 TYR 26 6.835 -12.893 -5.548 203 HE2 TYR 26 HE2 TYR 26 10.102 -11.138 -3.433 204 HH TYR 26 HH TYR 26 10.131 -11.964 -5.691 205 H PHE 27 H PHE 27 3.134 -12.339 -0.261 206 HA PHE 27 HA PHE 27 3.153 -12.257 2.708 207 HB2 PHE 27 2HB PHE 27 0.681 -12.089 0.917 208 HB3 PHE 27 3HB PHE 27 0.722 -11.956 2.671 209 HD1 PHE 27 HD1 PHE 27 3.134 -10.073 2.887 210 HD2 PHE 27 HD2 PHE 27 -0.361 -10.008 0.409 211 HE1 PHE 27 HE1 PHE 27 3.290 -7.631 2.714 212 HE2 PHE 27 HE2 PHE 27 -0.182 -7.559 0.245 213 HZ PHE 27 HZ PHE 27 1.643 -6.382 1.393 214 H SER 28 H SER 28 2.385 -14.030 3.772 215 HA SER 28 HA SER 28 1.193 -16.300 2.417 216 HB2 SER 28 2HB SER 28 3.638 -16.717 2.077 217 HB3 SER 28 3HB SER 28 3.901 -16.602 3.816 218 HG SER 28 HG SER 28 2.075 -18.462 2.719 219 H LYS 29 H LYS 29 2.914 -15.421 5.432 220 HA LYS 29 HA LYS 29 0.637 -16.246 7.093 221 HB2 LYS 29 2HB LYS 29 3.322 -14.995 7.886 222 HB3 LYS 29 3HB LYS 29 2.072 -15.489 9.017 223 HG2 LYS 29 2HG LYS 29 3.780 -17.160 9.056 224 HG3 LYS 29 3HG LYS 29 2.387 -17.866 8.238 225 HD2 LYS 29 2HD LYS 29 3.448 -17.571 6.066 226 HD3 LYS 29 3HD LYS 29 4.790 -16.683 6.791 227 HE2 LYS 29 2HE LYS 29 5.435 -18.986 6.241 228 HE3 LYS 29 3HE LYS 29 5.507 -18.709 7.979 229 HZ1 LYS 29 3HZ LYS 29 3.410 -19.864 8.216 230 HZ2 LYS 29 1HZ LYS 29 4.529 -20.849 7.422 231 HZ3 LYS 29 2HZ LYS 29 3.300 -20.089 6.549 232 H ALA 30 H ALA 30 -0.614 -14.751 8.248 233 HA ALA 30 HA ALA 30 -1.085 -12.134 7.242 234 HB1 ALA 30 3HB ALA 30 -2.638 -11.902 9.143 235 HB2 ALA 30 1HB ALA 30 -1.939 -13.338 9.906 236 HB3 ALA 30 2HB ALA 30 -2.820 -13.484 8.387 237 H GLU 31 H GLU 31 0.955 -13.412 9.747 238 HA GLU 31 HA GLU 31 1.569 -11.056 11.197 239 HB2 GLU 31 2HB GLU 31 3.287 -13.544 10.838 240 HB3 GLU 31 3HB GLU 31 3.427 -12.350 12.130 241 HG2 GLU 31 2HG GLU 31 1.194 -12.984 12.969 242 HG3 GLU 31 3HG GLU 31 1.041 -14.170 11.671 243 H GLU 32 H GLU 32 3.076 -12.666 8.408 244 HA GLU 32 HA GLU 32 5.263 -10.887 8.062 245 HB2 GLU 32 2HB GLU 32 3.835 -12.575 5.959 246 HB3 GLU 32 3HB GLU 32 5.383 -11.759 5.735 247 HG2 GLU 32 2HG GLU 32 6.348 -13.142 7.563 248 HG3 GLU 32 3HG GLU 32 4.811 -14.008 7.681 249 H ALA 33 H ALA 33 1.968 -11.001 6.683 250 HA ALA 33 HA ALA 33 2.087 -8.794 4.985 251 HB1 ALA 33 3HB ALA 33 -0.320 -9.759 6.582 252 HB2 ALA 33 1HB ALA 33 0.179 -10.350 4.998 253 HB3 ALA 33 2HB ALA 33 -0.374 -8.684 5.179 254 H LYS 34 H LYS 34 1.363 -8.943 8.466 255 HA LYS 34 HA LYS 34 0.852 -6.185 8.853 256 HB2 LYS 34 2HB LYS 34 1.642 -8.459 10.712 257 HB3 LYS 34 3HB LYS 34 1.434 -6.830 11.329 258 HG2 LYS 34 2HG LYS 34 -0.895 -7.710 9.731 259 HG3 LYS 34 3HG LYS 34 -0.571 -8.777 11.097 260 HD2 LYS 34 2HD LYS 34 -2.170 -6.995 11.693 261 HD3 LYS 34 3HD LYS 34 -0.692 -6.884 12.648 262 HE2 LYS 34 2HE LYS 34 0.109 -5.068 11.110 263 HE3 LYS 34 3HE LYS 34 -1.438 -5.150 10.262 264 HZ1 LYS 34 3HZ LYS 34 -1.474 -3.385 11.867 265 HZ2 LYS 34 1HZ LYS 34 -1.033 -4.439 13.113 266 HZ3 LYS 34 2HZ LYS 34 -2.537 -4.601 12.363 267 H GLU 35 H GLU 35 3.853 -8.019 8.842 268 HA GLU 35 HA GLU 35 5.493 -6.036 10.104 269 HB2 GLU 35 2HB GLU 35 5.856 -8.605 9.836 270 HB3 GLU 35 3HB GLU 35 6.472 -8.230 8.237 271 HG2 GLU 35 2HG GLU 35 7.616 -7.106 10.813 272 HG3 GLU 35 3HG GLU 35 8.210 -8.570 10.043 273 H LEU 36 H LEU 36 5.024 -7.098 6.728 274 HA LEU 36 HA LEU 36 6.435 -5.043 5.423 275 HB2 LEU 36 2HB LEU 36 4.229 -6.921 4.528 276 HB3 LEU 36 3HB LEU 36 4.818 -5.665 3.456 277 HG LEU 36 HG LEU 36 5.953 -7.634 2.800 278 HD11 LEU 36 1HD1 LEU 36 7.953 -6.117 4.509 279 HD12 LEU 36 2HD1 LEU 36 7.417 -5.663 2.889 280 HD13 LEU 36 3HD1 LEU 36 8.314 -7.159 3.128 281 HD21 LEU 36 3HD2 LEU 36 6.743 -8.190 5.677 282 HD22 LEU 36 1HD2 LEU 36 7.233 -9.130 4.261 283 HD23 LEU 36 2HD2 LEU 36 5.537 -9.064 4.732 284 H LEU 37 H LEU 37 3.211 -5.140 6.753 285 HA LEU 37 HA LEU 37 1.964 -3.024 5.428 286 HB2 LEU 37 2HB LEU 37 0.718 -4.556 6.751 287 HB3 LEU 37 3HB LEU 37 1.622 -4.199 8.194 288 HG LEU 37 HG LEU 37 0.026 -1.899 7.093 289 HD11 LEU 37 1HD1 LEU 37 -1.361 -4.275 8.389 290 HD12 LEU 37 2HD1 LEU 37 -1.549 -3.754 6.713 291 HD13 LEU 37 3HD1 LEU 37 -2.102 -2.713 8.021 292 HD21 LEU 37 3HD2 LEU 37 1.283 -1.688 9.217 293 HD22 LEU 37 1HD2 LEU 37 0.364 -3.028 9.905 294 HD23 LEU 37 2HD2 LEU 37 -0.451 -1.512 9.494 295 H LYS 38 H LYS 38 3.735 -2.950 8.530 296 HA LYS 38 HA LYS 38 3.581 -0.114 8.808 297 HB2 LYS 38 2HB LYS 38 5.193 -0.413 10.674 298 HB3 LYS 38 3HB LYS 38 3.806 -1.491 10.779 299 HG2 LYS 38 2HG LYS 38 5.188 -3.342 9.887 300 HG3 LYS 38 3HG LYS 38 6.585 -2.261 9.849 301 HD2 LYS 38 2HD LYS 38 6.437 -1.977 12.306 302 HD3 LYS 38 3HD LYS 38 5.020 -3.036 12.345 303 HE2 LYS 38 2HE LYS 38 7.057 -4.246 13.014 304 HE3 LYS 38 3HE LYS 38 6.390 -4.914 11.525 305 HZ1 LYS 38 3HZ LYS 38 8.805 -4.668 11.456 306 HZ2 LYS 38 1HZ LYS 38 8.662 -3.003 11.673 307 HZ3 LYS 38 2HZ LYS 38 8.059 -3.731 10.270 308 H LYS 39 H LYS 39 5.896 -2.275 7.233 309 HA LYS 39 HA LYS 39 8.063 -0.456 6.998 310 HB2 LYS 39 2HB LYS 39 7.308 -2.801 5.202 311 HB3 LYS 39 3HB LYS 39 8.833 -1.920 5.104 312 HG2 LYS 39 2HG LYS 39 9.385 -2.631 7.417 313 HG3 LYS 39 3HG LYS 39 7.870 -3.536 7.485 314 HD2 LYS 39 2HD LYS 39 9.646 -5.091 6.954 315 HD3 LYS 39 3HD LYS 39 8.642 -4.889 5.517 316 HE2 LYS 39 2HE LYS 39 10.993 -4.891 4.884 317 HE3 LYS 39 3HE LYS 39 10.322 -3.282 4.612 318 HZ1 LYS 39 3HZ LYS 39 11.293 -2.579 6.720 319 HZ2 LYS 39 1HZ LYS 39 12.478 -3.162 5.673 320 HZ3 LYS 39 2HZ LYS 39 11.943 -4.121 6.953 321 H VAL 40 H VAL 40 5.520 -1.316 4.622 322 HA VAL 40 HA VAL 40 6.402 0.484 2.605 323 HB VAL 40 HB VAL 40 3.731 -0.959 2.980 324 HG11 VAL 40 1HG1 VAL 40 4.738 0.504 0.508 325 HG12 VAL 40 2HG1 VAL 40 3.368 0.978 1.514 326 HG13 VAL 40 3HG1 VAL 40 3.298 -0.515 0.579 327 HG21 VAL 40 3HG2 VAL 40 5.652 -2.475 2.705 328 HG22 VAL 40 1HG2 VAL 40 6.137 -1.629 1.234 329 HG23 VAL 40 2HG2 VAL 40 4.619 -2.531 1.275 330 H ALA 41 H ALA 41 3.896 0.691 5.110 331 HA ALA 41 HA ALA 41 2.701 3.101 4.181 332 HB1 ALA 41 3HB ALA 41 2.558 1.830 6.922 333 HB2 ALA 41 1HB ALA 41 1.523 1.435 5.551 334 HB3 ALA 41 2HB ALA 41 1.453 3.045 6.270 335 H GLU 42 H GLU 42 5.323 2.470 6.498 336 HA GLU 42 HA GLU 42 5.578 5.188 7.419 337 HB2 GLU 42 2HB GLU 42 7.374 2.749 7.554 338 HB3 GLU 42 3HB GLU 42 7.943 4.314 8.119 339 HG2 GLU 42 2HG GLU 42 5.394 3.086 9.179 340 HG3 GLU 42 3HG GLU 42 6.967 2.659 9.839 341 H LYS 43 H LYS 43 7.384 3.172 5.070 342 HA LYS 43 HA LYS 43 9.316 5.144 4.450 343 HB2 LYS 43 2HB LYS 43 8.550 2.643 2.904 344 HB3 LYS 43 3HB LYS 43 9.944 3.645 2.525 345 HG2 LYS 43 2HG LYS 43 9.495 1.904 4.954 346 HG3 LYS 43 3HG LYS 43 10.734 1.744 3.718 347 HD2 LYS 43 2HD LYS 43 12.106 2.761 5.231 348 HD3 LYS 43 3HD LYS 43 11.317 4.264 4.753 349 HE2 LYS 43 2HE LYS 43 9.641 3.849 6.622 350 HE3 LYS 43 3HE LYS 43 10.654 2.500 7.140 351 HZ1 LYS 43 3HZ LYS 43 11.485 5.350 6.986 352 HZ2 LYS 43 1HZ LYS 43 12.487 4.067 7.441 353 HZ3 LYS 43 2HZ LYS 43 11.152 4.474 8.396 354 H ALA 44 H ALA 44 6.195 4.394 3.031 355 HA ALA 44 HA ALA 44 6.374 5.975 0.681 356 HB1 ALA 44 3HB ALA 44 4.605 4.304 0.995 357 HB2 ALA 44 1HB ALA 44 3.903 5.893 0.688 358 HB3 ALA 44 2HB ALA 44 3.927 5.239 2.329 359 H ALA 45 H ALA 45 5.043 6.641 3.932 360 HA ALA 45 HA ALA 45 4.283 9.315 3.602 361 HB1 ALA 45 3HB ALA 45 4.252 9.423 6.055 362 HB2 ALA 45 1HB ALA 45 5.205 7.932 6.139 363 HB3 ALA 45 2HB ALA 45 3.568 7.901 5.484 364 H ASP 46 H ASP 46 7.429 7.916 4.341 365 HA ASP 46 HA ASP 46 8.814 10.257 5.125 366 HB2 ASP 46 2HB ASP 46 9.815 7.692 3.839 367 HB3 ASP 46 3HB ASP 46 10.899 8.966 4.399 368 H LYS 47 H LYS 47 8.139 8.848 1.945 369 HA LYS 47 HA LYS 47 9.829 10.602 0.426 370 HB2 LYS 47 2HB LYS 47 7.390 9.073 -0.602 371 HB3 LYS 47 3HB LYS 47 8.727 9.707 -1.562 372 HG2 LYS 47 2HG LYS 47 8.899 7.481 0.481 373 HG3 LYS 47 3HG LYS 47 8.913 7.277 -1.270 374 HD2 LYS 47 2HD LYS 47 11.079 8.354 -1.450 375 HD3 LYS 47 3HD LYS 47 11.039 8.858 0.244 376 HE2 LYS 47 2HE LYS 47 12.527 6.901 -0.122 377 HE3 LYS 47 3HE LYS 47 11.194 6.523 0.971 378 HZ1 LYS 47 3HZ LYS 47 10.054 5.431 -0.812 379 HZ2 LYS 47 1HZ LYS 47 11.603 4.782 -0.674 380 HZ3 LYS 47 2HZ LYS 47 11.245 5.865 -1.923 381 H ILE 48 H ILE 48 6.463 10.587 1.392 382 HA ILE 48 HA ILE 48 5.515 12.778 -0.139 383 HB ILE 48 HB ILE 48 4.327 11.812 2.510 384 HG12 ILE 48 2HG1 ILE 48 3.730 10.724 -0.280 385 HG13 ILE 48 3HG1 ILE 48 4.742 9.908 0.897 386 HG21 ILE 48 1HG2 ILE 48 2.177 12.598 1.544 387 HG22 ILE 48 2HG2 ILE 48 3.025 13.145 0.097 388 HG23 ILE 48 3HG2 ILE 48 3.350 13.916 1.649 389 HD11 ILE 48 3HD1 ILE 48 1.811 10.497 1.197 390 HD12 ILE 48 1HD1 ILE 48 2.832 9.690 2.389 391 HD13 ILE 48 2HD1 ILE 48 2.545 8.938 0.821 392 H LYS 49 H LYS 49 7.209 12.538 2.887 393 HA LYS 49 HA LYS 49 6.641 14.881 4.225 394 HB2 LYS 49 2HB LYS 49 8.026 12.996 5.073 395 HB3 LYS 49 3HB LYS 49 9.334 13.471 3.994 396 HG2 LYS 49 2HG LYS 49 9.517 15.636 5.219 397 HG3 LYS 49 3HG LYS 49 8.246 15.091 6.322 398 HD2 LYS 49 2HD LYS 49 9.723 13.126 6.937 399 HD3 LYS 49 3HD LYS 49 10.997 13.840 5.942 400 HE2 LYS 49 2HE LYS 49 11.378 14.404 8.277 401 HE3 LYS 49 3HE LYS 49 10.949 15.869 7.391 402 HZ1 LYS 49 3HZ LYS 49 9.783 15.791 9.475 403 HZ2 LYS 49 1HZ LYS 49 9.137 14.271 9.125 404 HZ3 LYS 49 2HZ LYS 49 8.671 15.619 8.223 405 H LYS 50 H LYS 50 8.856 14.482 1.436 406 HA LYS 50 HA LYS 50 9.913 17.210 1.744 407 HB2 LYS 50 2HB LYS 50 10.647 15.044 -0.281 408 HB3 LYS 50 3HB LYS 50 11.438 16.607 -0.143 409 HG2 LYS 50 2HG LYS 50 12.915 15.153 0.958 410 HG3 LYS 50 3HG LYS 50 12.030 15.914 2.277 411 HD2 LYS 50 2HD LYS 50 12.271 13.549 2.744 412 HD3 LYS 50 3HD LYS 50 10.570 13.892 2.415 413 HE2 LYS 50 2HE LYS 50 11.122 11.851 1.280 414 HE3 LYS 50 3HE LYS 50 10.955 13.090 0.041 415 HZ1 LYS 50 3HZ LYS 50 13.414 13.261 0.042 416 HZ2 LYS 50 1HZ LYS 50 12.852 11.737 -0.422 417 HZ3 LYS 50 2HZ LYS 50 13.483 11.971 1.127 418 H GLN 51 H GLN 51 8.210 15.304 -0.771 419 HA GLN 51 HA GLN 51 7.998 17.699 -2.496 420 HB2 GLN 51 2HB GLN 51 7.554 14.741 -3.106 421 HB3 GLN 51 3HB GLN 51 7.438 16.039 -4.288 422 HG2 GLN 51 2HG GLN 51 9.942 15.198 -2.796 423 HG3 GLN 51 3HG GLN 51 9.575 14.879 -4.491 424 HE21 GLN 51 1HE2 GLN 51 9.612 16.654 -5.973 425 HE22 GLN 51 2HE2 GLN 51 10.455 18.118 -5.603 426 H GLY 52 H GLY 52 6.069 15.857 -0.381 427 HA2 GLY 52 2HA GLY 52 3.815 15.684 0.005 428 HA3 GLY 52 3HA GLY 52 3.556 16.986 -1.153 429 H CYS 53 H CYS 53 4.968 13.719 -1.391 430 HA CYS 53 HA CYS 53 4.001 13.116 -3.952 431 HB2 CYS 53 2HB CYS 53 4.823 11.149 -1.793 432 HB3 CYS 53 3HB CYS 53 4.910 10.913 -3.538 433 HG CYS 53 HG CYS 53 6.808 13.064 -3.800 434 H LYS 54 H LYS 54 1.813 13.490 -4.038 435 HA LYS 54 HA LYS 54 -0.058 12.200 -2.166 436 HB2 LYS 54 2HB LYS 54 -1.691 13.832 -3.203 437 HB3 LYS 54 3HB LYS 54 -0.351 14.544 -2.316 438 HG2 LYS 54 2HG LYS 54 0.813 14.851 -4.578 439 HG3 LYS 54 3HG LYS 54 -0.742 14.453 -5.325 440 HD2 LYS 54 2HD LYS 54 -1.807 16.372 -4.318 441 HD3 LYS 54 3HD LYS 54 -0.420 16.666 -3.263 442 HE2 LYS 54 2HE LYS 54 0.950 17.159 -5.313 443 HE3 LYS 54 3HE LYS 54 -0.530 17.035 -6.274 444 HZ1 LYS 54 3HZ LYS 54 0.035 19.319 -5.653 445 HZ2 LYS 54 1HZ LYS 54 -0.129 18.925 -4.022 446 HZ3 LYS 54 2HZ LYS 54 -1.469 18.854 -5.049 447 H ARG 55 H ARG 55 1.277 11.469 -5.102 448 HA ARG 55 HA ARG 55 -1.005 9.717 -5.777 449 HB2 ARG 55 2HB ARG 55 1.437 10.492 -7.431 450 HB3 ARG 55 3HB ARG 55 0.298 9.229 -7.894 451 HG2 ARG 55 2HG ARG 55 -1.526 10.942 -7.895 452 HG3 ARG 55 3HG ARG 55 -0.312 12.185 -7.587 453 HD2 ARG 55 2HD ARG 55 0.780 11.689 -9.725 454 HD3 ARG 55 3HD ARG 55 -0.334 10.347 -10.014 455 HE ARG 55 HE ARG 55 -1.752 12.781 -9.616 456 HH11 ARG 55 1HH1 ARG 55 0.154 11.127 -12.076 457 HH12 ARG 55 2HH1 ARG 55 -0.635 11.925 -13.400 458 HH21 ARG 55 1HH2 ARG 55 -2.808 13.787 -11.325 459 HH22 ARG 55 2HH2 ARG 55 -2.337 13.454 -12.964 460 H VAL 56 H VAL 56 -0.881 7.872 -4.794 461 HA VAL 56 HA VAL 56 1.632 6.315 -4.766 462 HB VAL 56 HB VAL 56 -0.586 6.256 -2.646 463 HG11 VAL 56 1HG1 VAL 56 0.828 4.649 -1.418 464 HG12 VAL 56 2HG1 VAL 56 1.981 4.636 -2.754 465 HG13 VAL 56 3HG1 VAL 56 0.346 4.015 -2.994 466 HG21 VAL 56 3HG2 VAL 56 1.095 7.104 -1.046 467 HG22 VAL 56 1HG2 VAL 56 0.837 8.247 -2.371 468 HG23 VAL 56 2HG2 VAL 56 2.280 7.230 -2.349 469 H LYS 57 H LYS 57 1.367 4.194 -5.537 470 HA LYS 57 HA LYS 57 -1.350 3.293 -6.269 471 HB2 LYS 57 2HB LYS 57 1.070 3.199 -8.141 472 HB3 LYS 57 3HB LYS 57 -0.500 2.467 -8.459 473 HG2 LYS 57 2HG LYS 57 -1.513 4.792 -8.367 474 HG3 LYS 57 3HG LYS 57 0.129 5.427 -8.256 475 HD2 LYS 57 2HD LYS 57 -0.703 5.544 -10.566 476 HD3 LYS 57 3HD LYS 57 0.680 4.450 -10.448 477 HE2 LYS 57 2HE LYS 57 -1.151 3.566 -11.900 478 HE3 LYS 57 3HE LYS 57 -0.798 2.508 -10.533 479 HZ1 LYS 57 3HZ LYS 57 -3.201 2.892 -10.998 480 HZ2 LYS 57 1HZ LYS 57 -2.998 4.501 -10.530 481 HZ3 LYS 57 2HZ LYS 57 -2.738 3.251 -9.417 482 H ILE 58 H ILE 58 -1.674 1.368 -5.374 483 HA ILE 58 HA ILE 58 0.603 -0.440 -4.802 484 HB ILE 58 HB ILE 58 -2.237 -0.377 -3.669 485 HG12 ILE 58 2HG1 ILE 58 0.422 0.159 -2.269 486 HG13 ILE 58 3HG1 ILE 58 -0.655 1.417 -2.862 487 HG21 ILE 58 1HG2 ILE 58 -0.017 -2.343 -3.022 488 HG22 ILE 58 2HG2 ILE 58 -1.549 -2.713 -3.809 489 HG23 ILE 58 3HG2 ILE 58 -1.527 -2.195 -2.123 490 HD11 ILE 58 3HD1 ILE 58 -1.283 -0.578 -0.693 491 HD12 ILE 58 1HD1 ILE 58 -2.383 0.662 -1.307 492 HD13 ILE 58 2HD1 ILE 58 -0.892 1.129 -0.493 493 H ARG 59 H ARG 59 0.887 -1.864 -6.402 494 HA ARG 59 HA ARG 59 -1.450 -3.095 -7.733 495 HB2 ARG 59 2HB ARG 59 1.383 -2.620 -8.750 496 HB3 ARG 59 3HB ARG 59 0.275 -3.745 -9.533 497 HG2 ARG 59 2HG ARG 59 -1.329 -1.861 -9.901 498 HG3 ARG 59 3HG ARG 59 -0.144 -0.750 -9.206 499 HD2 ARG 59 2HD ARG 59 1.420 -1.201 -11.001 500 HD3 ARG 59 3HD ARG 59 0.400 -2.498 -11.632 501 HE ARG 59 HE ARG 59 -1.013 -0.030 -11.617 502 HH11 ARG 59 1HH1 ARG 59 1.500 -1.766 -13.381 503 HH12 ARG 59 2HH1 ARG 59 1.196 -0.937 -14.878 504 HH21 ARG 59 1HH2 ARG 59 -1.423 1.042 -13.613 505 HH22 ARG 59 2HH2 ARG 59 -0.462 0.653 -15.005 506 H PHE 60 H PHE 60 -1.627 -5.262 -7.673 507 HA PHE 60 HA PHE 60 0.446 -6.914 -6.397 508 HB2 PHE 60 2HB PHE 60 -0.856 -6.174 -4.500 509 HB3 PHE 60 3HB PHE 60 -2.385 -6.430 -5.344 510 HD1 PHE 60 HD2 PHE 60 0.632 -8.372 -4.242 511 HD2 PHE 60 HD1 PHE 60 -3.603 -8.377 -4.811 512 HE1 PHE 60 HE2 PHE 60 0.501 -10.631 -3.278 513 HE2 PHE 60 HE1 PHE 60 -3.725 -10.633 -3.843 514 HZ PHE 60 HZ PHE 60 -1.677 -11.762 -3.073 515 H GLU 61 H GLU 61 0.470 -8.954 -7.224 516 HA GLU 61 HA GLU 61 -1.520 -9.632 -9.307 517 HB2 GLU 61 2HB GLU 61 1.289 -10.740 -8.881 518 HB3 GLU 61 3HB GLU 61 0.186 -11.196 -10.180 519 HG2 GLU 61 2HG GLU 61 0.214 -8.756 -10.915 520 HG3 GLU 61 3HG GLU 61 1.521 -8.506 -9.756 521 H LYS 62 H LYS 62 -2.720 -11.428 -9.145 522 HA LYS 62 HA LYS 62 -2.265 -13.490 -7.177 523 HB2 LYS 62 2HB LYS 62 -4.452 -13.103 -6.006 524 HB3 LYS 62 3HB LYS 62 -3.263 -11.850 -5.718 525 HG2 LYS 62 2HG LYS 62 -5.122 -10.531 -6.016 526 HG3 LYS 62 3HG LYS 62 -4.564 -10.612 -7.689 527 HD2 LYS 62 2HD LYS 62 -6.168 -12.544 -8.042 528 HD3 LYS 62 3HD LYS 62 -6.792 -12.253 -6.414 529 HE2 LYS 62 2HE LYS 62 -8.195 -11.210 -8.143 530 HE3 LYS 62 3HE LYS 62 -7.487 -9.996 -7.072 531 HZ1 LYS 62 3HZ LYS 62 -7.370 -9.339 -9.388 532 HZ2 LYS 62 1HZ LYS 62 -6.486 -10.724 -9.775 533 HZ3 LYS 62 2HZ LYS 62 -5.818 -9.545 -8.767 534 H LYS 63 H LYS 63 -3.475 -15.327 -7.566 535 HA LYS 63 HA LYS 63 -5.629 -15.473 -9.462 536 HB2 LYS 63 2HB LYS 63 -3.753 -15.215 -11.038 537 HB3 LYS 63 3HB LYS 63 -2.876 -16.539 -10.273 538 HG2 LYS 63 2HG LYS 63 -4.610 -18.134 -11.037 539 HG3 LYS 63 3HG LYS 63 -5.505 -16.809 -11.791 540 HD2 LYS 63 2HD LYS 63 -2.685 -17.680 -12.541 541 HD3 LYS 63 3HD LYS 63 -4.148 -18.100 -13.434 542 HE2 LYS 63 2HE LYS 63 -3.171 -15.251 -12.995 543 HE3 LYS 63 3HE LYS 63 -2.859 -16.204 -14.445 544 HZ1 LYS 63 3HZ LYS 63 -5.205 -16.301 -14.886 545 HZ2 LYS 63 1HZ LYS 63 -4.742 -14.691 -14.692 546 HZ3 LYS 63 2HZ LYS 63 -5.561 -15.483 -13.445 547 H GLY 64 H GLY 64 -2.940 -17.595 -8.460 548 HA2 GLY 64 2HA GLY 64 -4.843 -19.711 -7.713 549 HA3 GLY 64 3HA GLY 64 -3.109 -19.875 -7.967 550 H LEU 65 H LEU 65 -5.009 -17.672 -5.883 551 HA LEU 65 HA LEU 65 -3.469 -18.649 -3.552 552 HB2 LEU 65 2HB LEU 65 -4.366 -16.487 -2.441 553 HB3 LEU 65 3HB LEU 65 -3.043 -16.374 -3.577 554 HG LEU 65 HG LEU 65 -4.473 -15.362 -5.277 555 HD11 LEU 65 1HD1 LEU 65 -6.829 -15.744 -3.402 556 HD12 LEU 65 2HD1 LEU 65 -6.579 -16.545 -4.955 557 HD13 LEU 65 3HD1 LEU 65 -6.845 -14.803 -4.900 558 HD21 LEU 65 3HD2 LEU 65 -3.518 -13.853 -3.631 559 HD22 LEU 65 1HD2 LEU 65 -4.884 -14.104 -2.543 560 HD23 LEU 65 2HD2 LEU 65 -5.117 -13.276 -4.085 561 H ASP 66 H ASP 66 -4.572 -18.797 -1.532 562 HA ASP 66 HA ASP 66 -7.173 -20.072 -1.667 563 HB2 ASP 66 2HB ASP 66 -5.318 -20.862 -0.145 564 HB3 ASP 66 3HB ASP 66 -5.445 -19.363 0.758 565 H ASP 67 H ASP 67 -9.003 -19.297 -0.321 566 HA ASP 67 HA ASP 67 -9.819 -16.677 -0.744 567 HB2 ASP 67 2HB ASP 67 -11.404 -18.486 -0.310 568 HB3 ASP 67 3HB ASP 67 -10.781 -18.714 1.318 569 H ASP 68 H ASP 68 -8.171 -18.071 2.042 570 HA ASP 68 HA ASP 68 -8.327 -15.829 3.784 571 HB2 ASP 68 2HB ASP 68 -7.846 -18.164 4.548 572 HB3 ASP 68 3HB ASP 68 -6.264 -18.084 3.781 573 H ALA 69 H ALA 69 -5.739 -17.018 1.573 574 HA ALA 69 HA ALA 69 -3.813 -15.044 2.054 575 HB1 ALA 69 3HB ALA 69 -2.875 -15.648 -0.138 576 HB2 ALA 69 1HB ALA 69 -4.371 -16.506 -0.542 577 HB3 ALA 69 2HB ALA 69 -3.349 -17.081 0.773 578 H ARG 70 H ARG 70 -6.532 -15.059 -0.205 579 HA ARG 70 HA ARG 70 -6.104 -12.628 -1.554 580 HB2 ARG 70 2HB ARG 70 -7.737 -14.320 -2.302 581 HB3 ARG 70 3HB ARG 70 -8.706 -14.063 -0.855 582 HG2 ARG 70 2HG ARG 70 -9.171 -11.738 -1.603 583 HG3 ARG 70 3HG ARG 70 -8.240 -12.037 -3.072 584 HD2 ARG 70 2HD ARG 70 -9.830 -13.754 -3.773 585 HD3 ARG 70 3HD ARG 70 -10.709 -13.600 -2.245 586 HE ARG 70 HE ARG 70 -10.537 -11.133 -3.721 587 HH11 ARG 70 1HH1 ARG 70 -12.416 -14.098 -3.387 588 HH12 ARG 70 2HH1 ARG 70 -13.859 -13.392 -4.054 589 HH21 ARG 70 1HH2 ARG 70 -12.433 -10.216 -4.551 590 HH22 ARG 70 2HH2 ARG 70 -13.863 -11.188 -4.716 591 H LYS 71 H LYS 71 -7.781 -13.407 1.468 592 HA LYS 71 HA LYS 71 -8.897 -10.835 1.932 593 HB2 LYS 71 2HB LYS 71 -9.812 -12.989 2.852 594 HB3 LYS 71 3HB LYS 71 -8.422 -13.097 3.926 595 HG2 LYS 71 2HG LYS 71 -10.359 -12.252 5.135 596 HG3 LYS 71 3HG LYS 71 -9.122 -10.993 5.039 597 HD2 LYS 71 2HD LYS 71 -10.354 -9.911 3.191 598 HD3 LYS 71 3HD LYS 71 -11.577 -11.186 3.239 599 HE2 LYS 71 2HE LYS 71 -10.964 -9.249 5.499 600 HE3 LYS 71 3HE LYS 71 -12.323 -9.125 4.383 601 HZ1 LYS 71 3HZ LYS 71 -13.113 -10.121 6.351 602 HZ2 LYS 71 1HZ LYS 71 -11.846 -11.235 6.403 603 HZ3 LYS 71 2HZ LYS 71 -13.026 -11.358 5.207 604 H LYS 72 H LYS 72 -5.818 -12.360 2.799 605 HA LYS 72 HA LYS 72 -5.048 -10.590 4.887 606 HB2 LYS 72 2HB LYS 72 -3.162 -12.021 2.965 607 HB3 LYS 72 3HB LYS 72 -2.755 -11.388 4.551 608 HG2 LYS 72 2HG LYS 72 -4.486 -13.791 3.930 609 HG3 LYS 72 3HG LYS 72 -2.860 -13.797 4.594 610 HD2 LYS 72 2HD LYS 72 -4.123 -14.211 6.494 611 HD3 LYS 72 3HD LYS 72 -3.954 -12.460 6.593 612 HE2 LYS 72 2HE LYS 72 -6.210 -12.115 5.872 613 HE3 LYS 72 3HE LYS 72 -6.360 -13.779 5.307 614 HZ1 LYS 72 3HZ LYS 72 -6.017 -13.020 8.150 615 HZ2 LYS 72 1HZ LYS 72 -6.338 -14.560 7.539 616 HZ3 LYS 72 2HZ LYS 72 -7.505 -13.344 7.422 617 H ALA 73 H ALA 73 -4.254 -10.698 1.426 618 HA ALA 73 HA ALA 73 -2.760 -8.274 1.321 619 HB1 ALA 73 3HB ALA 73 -2.413 -10.132 -0.242 620 HB2 ALA 73 1HB ALA 73 -2.796 -8.647 -1.112 621 HB3 ALA 73 2HB ALA 73 -4.029 -9.898 -0.912 622 H LYS 74 H LYS 74 -6.166 -9.051 0.822 623 HA LYS 74 HA LYS 74 -6.999 -6.630 -0.433 624 HB2 LYS 74 2HB LYS 74 -8.342 -8.725 -0.455 625 HB3 LYS 74 3HB LYS 74 -8.622 -8.590 1.271 626 HG2 LYS 74 2HG LYS 74 -9.507 -6.335 -0.526 627 HG3 LYS 74 3HG LYS 74 -10.455 -7.821 -0.502 628 HD2 LYS 74 2HD LYS 74 -10.844 -7.571 1.913 629 HD3 LYS 74 3HD LYS 74 -9.804 -6.145 1.958 630 HE2 LYS 74 2HE LYS 74 -12.142 -5.465 1.963 631 HE3 LYS 74 3HE LYS 74 -11.392 -4.970 0.447 632 HZ1 LYS 74 3HZ LYS 74 -13.159 -7.319 0.854 633 HZ2 LYS 74 1HZ LYS 74 -12.388 -6.943 -0.595 634 HZ3 LYS 74 2HZ LYS 74 -13.548 -5.897 0.042 635 H LYS 75 H LYS 75 -7.195 -7.706 2.982 636 HA LYS 75 HA LYS 75 -8.179 -5.278 4.069 637 HB2 LYS 75 2HB LYS 75 -8.360 -7.447 5.261 638 HB3 LYS 75 3HB LYS 75 -6.609 -7.519 5.433 639 HG2 LYS 75 2HG LYS 75 -6.716 -5.430 6.838 640 HG3 LYS 75 3HG LYS 75 -8.480 -5.506 6.735 641 HD2 LYS 75 2HD LYS 75 -8.485 -7.676 7.902 642 HD3 LYS 75 3HD LYS 75 -6.719 -7.696 7.917 643 HE2 LYS 75 2HE LYS 75 -6.744 -5.644 9.337 644 HE3 LYS 75 3HE LYS 75 -8.505 -5.715 9.366 645 HZ1 LYS 75 3HZ LYS 75 -7.491 -6.674 11.349 646 HZ2 LYS 75 1HZ LYS 75 -6.700 -7.832 10.407 647 HZ3 LYS 75 2HZ LYS 75 -8.385 -7.823 10.501 648 H TRP 76 H TRP 76 -4.959 -6.556 3.509 649 HA TRP 76 HA TRP 76 -3.331 -4.765 4.873 650 HB2 TRP 76 2HB TRP 76 -2.655 -6.923 3.706 651 HB3 TRP 76 3HB TRP 76 -2.724 -6.060 2.173 652 HD1 TRP 76 HD1 TRP 76 -0.658 -6.373 5.351 653 HE1 TRP 76 HE1 TRP 76 1.615 -5.272 4.974 654 HE3 TRP 76 HE3 TRP 76 -1.493 -4.220 0.793 655 HZ2 TRP 76 HZ2 TRP 76 2.895 -3.710 3.101 656 HZ3 TRP 76 HZ3 TRP 76 0.325 -2.928 -0.244 657 HH2 TRP 76 HH2 TRP 76 2.492 -2.674 0.883 658 H ALA 77 H ALA 77 -4.395 -4.688 1.472 659 HA ALA 77 HA ALA 77 -3.160 -2.338 0.630 660 HB1 ALA 77 3HB ALA 77 -5.749 -3.557 -0.377 661 HB2 ALA 77 1HB ALA 77 -4.126 -4.009 -0.895 662 HB3 ALA 77 2HB ALA 77 -4.747 -2.394 -1.254 663 H LEU 78 H LEU 78 -6.164 -2.812 2.382 664 HA LEU 78 HA LEU 78 -7.195 -0.148 2.108 665 HB2 LEU 78 2HB LEU 78 -7.792 -2.262 4.217 666 HB3 LEU 78 3HB LEU 78 -8.740 -0.808 3.942 667 HG LEU 78 HG LEU 78 -8.440 -3.120 1.983 668 HD11 LEU 78 1HD1 LEU 78 -10.799 -3.597 2.500 669 HD12 LEU 78 2HD1 LEU 78 -10.798 -2.315 3.713 670 HD13 LEU 78 3HD1 LEU 78 -9.776 -3.739 3.930 671 HD21 LEU 78 3HD2 LEU 78 -8.734 -1.010 0.780 672 HD22 LEU 78 1HD2 LEU 78 -10.148 -0.618 1.762 673 HD23 LEU 78 2HD2 LEU 78 -10.188 -1.996 0.659 674 H GLU 79 H GLU 79 -5.394 -1.884 4.673 675 HA GLU 79 HA GLU 79 -5.679 0.211 6.608 676 HB2 GLU 79 2HB GLU 79 -3.920 -2.271 6.623 677 HB3 GLU 79 3HB GLU 79 -4.095 -1.165 7.988 678 HG2 GLU 79 2HG GLU 79 -6.581 -1.650 7.953 679 HG3 GLU 79 3HG GLU 79 -6.251 -2.902 6.755 680 H VAL 80 H VAL 80 -2.957 -0.862 4.551 681 HA VAL 80 HA VAL 80 -1.088 1.039 5.531 682 HB VAL 80 HB VAL 80 0.230 0.652 3.463 683 HG11 VAL 80 1HG1 VAL 80 -0.900 -1.907 4.647 684 HG12 VAL 80 2HG1 VAL 80 0.422 -0.945 5.313 685 HG13 VAL 80 3HG1 VAL 80 0.623 -1.763 3.763 686 HG21 VAL 80 3HG2 VAL 80 -2.140 -1.001 2.521 687 HG22 VAL 80 1HG2 VAL 80 -0.565 -0.930 1.727 688 HG23 VAL 80 2HG2 VAL 80 -1.577 0.515 1.815 689 H ALA 81 H ALA 81 -3.585 1.205 3.024 690 HA ALA 81 HA ALA 81 -2.922 3.730 1.915 691 HB1 ALA 81 3HB ALA 81 -5.605 2.322 2.067 692 HB2 ALA 81 1HB ALA 81 -4.387 2.104 0.812 693 HB3 ALA 81 2HB ALA 81 -5.196 3.662 0.987 694 H ASN 82 H ASN 82 -5.032 2.757 4.589 695 HA ASN 82 HA ASN 82 -6.019 5.372 5.205 696 HB2 ASN 82 2HB ASN 82 -6.160 2.666 6.572 697 HB3 ASN 82 3HB ASN 82 -6.596 4.100 7.490 698 HD21 ASN 82 1HD2 ASN 82 -7.548 1.987 4.899 699 HD22 ASN 82 2HD2 ASN 82 -9.131 2.630 4.689 700 H LYS 83 H LYS 83 -3.181 3.529 6.143 701 HA LYS 83 HA LYS 83 -2.443 5.114 8.419 702 HB2 LYS 83 2HB LYS 83 -1.697 2.711 7.888 703 HB3 LYS 83 3HB LYS 83 -0.587 3.382 6.708 704 HG2 LYS 83 2HG LYS 83 -0.503 4.086 9.668 705 HG3 LYS 83 3HG LYS 83 0.401 2.746 8.968 706 HD2 LYS 83 2HD LYS 83 1.581 4.398 7.475 707 HD3 LYS 83 3HD LYS 83 0.741 5.701 8.319 708 HE2 LYS 83 2HE LYS 83 2.625 3.709 9.619 709 HE3 LYS 83 3HE LYS 83 3.054 5.349 9.140 710 HZ1 LYS 83 3HZ LYS 83 1.324 6.148 10.696 711 HZ2 LYS 83 1HZ LYS 83 2.577 5.308 11.459 712 HZ3 LYS 83 2HZ LYS 83 1.087 4.561 11.211 713 H ILE 84 H ILE 84 -1.355 4.975 5.028 714 HA ILE 84 HA ILE 84 0.443 7.134 5.010 715 HB ILE 84 HB ILE 84 -1.215 5.886 2.764 716 HG12 ILE 84 2HG1 ILE 84 1.748 5.507 3.439 717 HG13 ILE 84 3HG1 ILE 84 0.473 4.397 3.926 718 HG21 ILE 84 1HG2 ILE 84 -0.577 8.151 2.061 719 HG22 ILE 84 2HG2 ILE 84 0.325 6.945 1.141 720 HG23 ILE 84 3HG2 ILE 84 1.108 7.818 2.460 721 HD11 ILE 84 3HD1 ILE 84 -0.022 3.943 1.564 722 HD12 ILE 84 1HD1 ILE 84 1.641 3.551 1.998 723 HD13 ILE 84 2HD1 ILE 84 1.295 5.023 1.092 724 H ALA 85 H ALA 85 -3.067 6.971 4.454 725 HA ALA 85 HA ALA 85 -3.531 9.716 3.912 726 HB1 ALA 85 3HB ALA 85 -5.417 7.680 5.150 727 HB2 ALA 85 1HB ALA 85 -5.187 7.957 3.423 728 HB3 ALA 85 2HB ALA 85 -5.880 9.229 4.430 729 H ASN 86 H ASN 86 -3.487 7.835 6.933 730 HA ASN 86 HA ASN 86 -4.486 9.779 8.699 731 HB2 ASN 86 2HB ASN 86 -4.380 7.428 9.325 732 HB3 ASN 86 3HB ASN 86 -2.626 7.419 9.214 733 HD21 ASN 86 1HD2 ASN 86 -1.419 8.297 10.915 734 HD22 ASN 86 2HD2 ASN 86 -2.116 8.683 12.453 735 H GLU 87 H GLU 87 -1.193 9.187 7.549 736 HA GLU 87 HA GLU 87 0.162 10.788 9.452 737 HB2 GLU 87 2HB GLU 87 1.070 10.094 6.630 738 HB3 GLU 87 3HB GLU 87 2.094 10.683 7.932 739 HG2 GLU 87 2HG GLU 87 0.746 7.993 7.703 740 HG3 GLU 87 3HG GLU 87 2.473 8.338 7.723 741 H LEU 88 H LEU 88 -1.053 11.495 6.152 742 HA LEU 88 HA LEU 88 -0.096 14.277 6.372 743 HB2 LEU 88 2HB LEU 88 -1.019 12.674 3.942 744 HB3 LEU 88 3HB LEU 88 -0.655 14.389 3.903 745 HG LEU 88 HG LEU 88 1.263 13.314 3.034 746 HD11 LEU 88 1HD1 LEU 88 1.837 15.135 4.562 747 HD12 LEU 88 2HD1 LEU 88 3.086 13.896 4.539 748 HD13 LEU 88 3HD1 LEU 88 1.972 13.992 5.905 749 HD21 LEU 88 3HD2 LEU 88 2.506 11.491 4.112 750 HD22 LEU 88 1HD2 LEU 88 0.848 11.019 3.745 751 HD23 LEU 88 2HD2 LEU 88 1.303 11.420 5.401 752 H GLY 89 H GLY 89 -3.037 12.664 5.075 753 HA2 GLY 89 2HA GLY 89 -4.967 13.826 6.627 754 HA3 GLY 89 3HA GLY 89 -4.656 15.044 5.397 755 H ALA 90 H ALA 90 -5.835 14.912 3.614 756 HA ALA 90 HA ALA 90 -7.121 14.206 1.885 757 HB1 ALA 90 3HB ALA 90 -5.125 12.862 1.363 758 HB2 ALA 90 1HB ALA 90 -6.602 12.022 0.887 759 HB3 ALA 90 2HB ALA 90 -5.744 11.540 2.353 760 H LYS 91 H LYS 91 -8.452 11.876 1.263 761 HA LYS 91 HA LYS 91 -10.163 11.212 3.601 762 HB2 LYS 91 2HB LYS 91 -10.867 11.285 0.637 763 HB3 LYS 91 3HB LYS 91 -11.882 10.496 1.841 764 HG2 LYS 91 2HG LYS 91 -12.040 12.726 3.043 765 HG3 LYS 91 3HG LYS 91 -11.222 13.460 1.661 766 HD2 LYS 91 2HD LYS 91 -13.846 11.920 1.503 767 HD3 LYS 91 3HD LYS 91 -13.732 13.676 1.602 768 HE2 LYS 91 2HE LYS 91 -12.467 12.071 -0.654 769 HE3 LYS 91 3HE LYS 91 -14.106 12.716 -0.720 770 HZ1 LYS 91 3HZ LYS 91 -13.236 14.924 -0.472 771 HZ2 LYS 91 1HZ LYS 91 -12.506 14.171 -1.794 772 HZ3 LYS 91 2HZ LYS 91 -11.660 14.341 -0.345 773 H GLN 92 H GLN 92 -9.960 9.418 0.519 774 HA GLN 92 HA GLN 92 -8.819 7.096 1.959 775 HB2 GLN 92 2HB GLN 92 -11.468 7.174 0.453 776 HB3 GLN 92 3HB GLN 92 -10.641 5.667 0.815 777 HG2 GLN 92 2HG GLN 92 -11.667 7.641 2.877 778 HG3 GLN 92 3HG GLN 92 -12.480 6.153 2.393 779 HE21 GLN 92 1HE2 GLN 92 -9.804 7.489 4.186 780 HE22 GLN 92 2HE2 GLN 92 -9.349 6.033 4.989 781 H SER 93 H SER 93 -8.498 5.232 0.417 782 HA SER 93 HA SER 93 -7.072 6.072 -1.962 783 HB2 SER 93 2HB SER 93 -6.490 3.601 -2.072 784 HB3 SER 93 3HB SER 93 -6.033 4.378 -0.556 785 HG SER 93 HG SER 93 -7.172 2.264 -0.455 786 H THR 94 H THR 94 -7.528 5.299 -4.046 787 HA THR 94 HA THR 94 -10.291 4.665 -4.720 788 HB THR 94 HB THR 94 -7.846 5.291 -6.464 789 HG1 THR 94 HG1 THR 94 -9.725 6.815 -5.170 790 HG21 THR 94 3HG2 THR 94 -10.765 5.071 -7.302 791 HG22 THR 94 1HG2 THR 94 -9.501 3.912 -7.720 792 HG23 THR 94 2HG2 THR 94 -9.425 5.564 -8.339 793 H THR 95 H THR 95 -10.856 2.547 -4.821 794 HA THR 95 HA THR 95 -8.773 0.458 -5.089 795 HB THR 95 HB THR 95 -10.456 -1.032 -3.934 796 HG1 THR 95 HG1 THR 95 -12.256 0.074 -2.945 797 HG21 THR 95 3HG2 THR 95 -10.201 -0.055 -1.694 798 HG22 THR 95 1HG2 THR 95 -9.829 1.523 -2.389 799 HG23 THR 95 2HG2 THR 95 -8.710 0.173 -2.610 800 H THR 96 H THR 96 -8.846 -0.904 -6.737 801 HA THR 96 HA THR 96 -11.194 -1.194 -8.480 802 HB THR 96 HB THR 96 -8.335 -0.799 -9.510 803 HG1 THR 96 HG1 THR 96 -10.227 1.018 -8.812 804 HG21 THR 96 3HG2 THR 96 -9.756 -2.213 -10.988 805 HG22 THR 96 1HG2 THR 96 -9.405 -0.654 -11.738 806 HG23 THR 96 2HG2 THR 96 -10.985 -0.947 -11.012 807 H THR 97 H THR 97 -11.666 -3.357 -8.295 808 HA THR 97 HA THR 97 -9.501 -5.308 -7.924 809 HB THR 97 HB THR 97 -11.480 -5.494 -6.437 810 HG1 THR 97 HG1 THR 97 -11.826 -7.797 -6.921 811 HG21 THR 97 3HG2 THR 97 -13.637 -6.339 -7.278 812 HG22 THR 97 1HG2 THR 97 -13.052 -6.222 -8.942 813 HG23 THR 97 2HG2 THR 97 -13.273 -4.762 -7.977 814 H ASP 98 H ASP 98 -9.216 -7.059 -9.330 815 HA ASP 98 HA ASP 98 -10.301 -6.945 -12.051 816 HB2 ASP 98 2HB ASP 98 -8.464 -5.319 -12.136 817 HB3 ASP 98 3HB ASP 98 -7.380 -6.426 -11.313 818 H GLY 99 H GLY 99 -9.357 -8.838 -13.345 819 HA2 GLY 99 2HA GLY 99 -9.647 -11.278 -11.959 820 HA3 GLY 99 3HA GLY 99 -9.059 -11.088 -13.602 821 H ASP 100 H ASP 100 -6.715 -9.893 -13.488 822 HA ASP 100 HA ASP 100 -5.038 -11.943 -12.212 823 HB2 ASP 100 2HB ASP 100 -4.282 -9.791 -14.249 824 HB3 ASP 100 3HB ASP 100 -3.263 -11.133 -13.728 825 H THR 101 H THR 101 -4.784 -8.401 -12.723 826 HA THR 101 HA THR 101 -2.989 -8.078 -10.463 827 HB THR 101 HB THR 101 -4.158 -5.811 -12.140 828 HG1 THR 101 HG1 THR 101 -2.715 -6.274 -13.726 829 HG21 THR 101 3HG2 THR 101 -1.407 -6.167 -10.855 830 HG22 THR 101 1HG2 THR 101 -2.711 -5.180 -10.185 831 HG23 THR 101 2HG2 THR 101 -1.968 -4.737 -11.725 832 H PHE 102 H PHE 102 -3.457 -6.222 -8.914 833 HA PHE 102 HA PHE 102 -6.291 -5.712 -8.310 834 HB2 PHE 102 2HB PHE 102 -5.490 -7.641 -6.894 835 HB3 PHE 102 3HB PHE 102 -4.200 -6.626 -6.266 836 HD1 PHE 102 HD2 PHE 102 -7.958 -6.435 -6.652 837 HD2 PHE 102 HD1 PHE 102 -4.574 -5.783 -4.099 838 HE1 PHE 102 HE2 PHE 102 -9.456 -5.732 -4.827 839 HE2 PHE 102 HE1 PHE 102 -6.087 -5.084 -2.284 840 HZ PHE 102 HZ PHE 102 -8.524 -5.060 -2.646 841 H GLU 103 H GLU 103 -6.368 -3.544 -8.529 842 HA GLU 103 HA GLU 103 -3.964 -1.890 -8.007 843 HB2 GLU 103 2HB GLU 103 -4.778 -1.786 -10.314 844 HB3 GLU 103 3HB GLU 103 -6.408 -1.421 -9.769 845 HG2 GLU 103 2HG GLU 103 -5.490 0.625 -10.581 846 HG3 GLU 103 3HG GLU 103 -5.523 0.756 -8.828 847 H VAL 104 H VAL 104 -4.094 -1.038 -6.003 848 HA VAL 104 HA VAL 104 -6.501 0.563 -5.306 849 HB VAL 104 HB VAL 104 -4.632 -0.952 -3.390 850 HG11 VAL 104 1HG1 VAL 104 -6.038 -0.061 -1.542 851 HG12 VAL 104 2HG1 VAL 104 -6.927 0.939 -2.696 852 HG13 VAL 104 3HG1 VAL 104 -5.208 1.231 -2.413 853 HG21 VAL 104 3HG2 VAL 104 -7.612 -1.320 -3.910 854 HG22 VAL 104 1HG2 VAL 104 -6.657 -2.196 -2.709 855 HG23 VAL 104 2HG2 VAL 104 -6.325 -2.412 -4.429 856 H GLU 105 H GLU 105 -5.775 2.555 -5.942 857 HA GLU 105 HA GLU 105 -2.988 3.336 -5.292 858 HB2 GLU 105 2HB GLU 105 -2.985 4.791 -7.138 859 HB3 GLU 105 3HB GLU 105 -3.906 3.423 -7.740 860 HG2 GLU 105 2HG GLU 105 -6.001 4.771 -7.162 861 HG3 GLU 105 3HG GLU 105 -4.920 6.145 -6.908 862 H VAL 106 H VAL 106 -2.628 5.007 -3.881 863 HA VAL 106 HA VAL 106 -4.969 6.024 -2.418 864 HB VAL 106 HB VAL 106 -2.054 6.388 -1.584 865 HG11 VAL 106 1HG1 VAL 106 -2.987 6.568 0.693 866 HG12 VAL 106 2HG1 VAL 106 -4.614 6.315 0.055 867 HG13 VAL 106 3HG1 VAL 106 -3.707 7.762 -0.390 868 HG21 VAL 106 3HG2 VAL 106 -3.780 3.975 -0.914 869 HG22 VAL 106 1HG2 VAL 106 -2.209 4.343 -0.195 870 HG23 VAL 106 2HG2 VAL 106 -2.330 3.976 -1.918 871 H ILE 107 H ILE 107 -5.706 7.792 -3.450 872 HA ILE 107 HA ILE 107 -3.895 9.851 -4.479 873 HB ILE 107 HB ILE 107 -6.946 9.709 -4.621 874 HG12 ILE 107 2HG1 ILE 107 -4.892 9.067 -6.799 875 HG13 ILE 107 3HG1 ILE 107 -5.824 7.870 -5.906 876 HG21 ILE 107 1HG2 ILE 107 -6.764 11.511 -6.328 877 HG22 ILE 107 2HG2 ILE 107 -5.023 11.590 -6.053 878 HG23 ILE 107 3HG2 ILE 107 -6.140 12.034 -4.761 879 HD11 ILE 107 3HD1 ILE 107 -7.889 8.768 -6.861 880 HD12 ILE 107 1HD1 ILE 107 -6.757 8.236 -8.105 881 HD13 ILE 107 2HD1 ILE 107 -6.953 9.956 -7.771 882 H LEU 108 H LEU 108 -3.087 10.887 -2.760 883 HA LEU 108 HA LEU 108 -4.724 11.715 -0.517 884 HB2 LEU 108 2HB LEU 108 -1.812 12.278 -1.187 885 HB3 LEU 108 3HB LEU 108 -2.610 12.804 0.284 886 HG LEU 108 HG LEU 108 -1.968 9.948 -0.534 887 HD11 LEU 108 1HD1 LEU 108 -1.094 11.631 1.828 888 HD12 LEU 108 2HD1 LEU 108 -0.104 11.177 0.434 889 HD13 LEU 108 3HD1 LEU 108 -0.670 9.939 1.551 890 HD21 LEU 108 3HD2 LEU 108 -4.207 9.938 0.477 891 HD22 LEU 108 1HD2 LEU 108 -3.601 10.839 1.870 892 HD23 LEU 108 2HD2 LEU 108 -3.028 9.197 1.556 893 H GLU 109 H GLU 109 -5.737 13.609 -0.369 894 HA GLU 109 HA GLU 109 -5.438 15.688 -2.398 895 HB2 GLU 109 2HB GLU 109 -7.328 15.540 -0.011 896 HB3 GLU 109 3HB GLU 109 -7.471 16.622 -1.399 897 HG2 GLU 109 2HG GLU 109 -7.974 14.781 -2.879 898 HG3 GLU 109 3HG GLU 109 -7.587 13.601 -1.626 899 H LEU 110 H LEU 110 -3.362 16.439 -1.847 900 HA LEU 110 HA LEU 110 -3.118 17.958 0.682 901 HB2 LEU 110 2HB LEU 110 -1.403 15.657 -0.251 902 HB3 LEU 110 3HB LEU 110 -0.578 17.002 0.502 903 HG LEU 110 HG LEU 110 -0.918 15.366 2.190 904 HD11 LEU 110 1HD1 LEU 110 -1.270 17.682 2.913 905 HD12 LEU 110 2HD1 LEU 110 -2.189 16.540 3.890 906 HD13 LEU 110 3HD1 LEU 110 -3.009 17.502 2.653 907 HD21 LEU 110 3HD2 LEU 110 -2.697 14.026 1.183 908 HD22 LEU 110 1HD2 LEU 110 -3.881 15.265 1.582 909 HD23 LEU 110 2HD2 LEU 110 -3.046 14.390 2.866 910 H GLU 111 H GLU 111 -3.375 19.861 -0.486 911 HA GLU 111 HA GLU 111 -1.279 20.662 -2.381 912 HB2 GLU 111 2HB GLU 111 -3.693 22.213 -1.325 913 HB3 GLU 111 3HB GLU 111 -2.601 22.751 -2.599 914 HG2 GLU 111 2HG GLU 111 -4.505 20.401 -2.710 915 HG3 GLU 111 3HG GLU 111 -4.663 21.932 -3.572 916 H HIS 112 H HIS 112 -2.688 21.630 0.719 917 HA HIS 112 HA HIS 112 -0.939 23.688 1.398 918 HB2 HIS 112 2HB HIS 112 -1.799 23.388 3.729 919 HB3 HIS 112 3HB HIS 112 -3.072 23.456 2.520 920 HD1 HIS 112 HD1 HIS 112 -1.690 21.316 5.193 921 HD2 HIS 112 HD2 HIS 112 -4.407 20.931 2.080 922 HE1 HIS 112 HE1 HIS 112 -2.988 19.235 5.682 923 HE2 HIS 112 HE2 HIS 112 -4.733 19.130 3.889 924 H HIS 113 H HIS 113 1.204 23.424 1.359 925 HA HIS 113 HA HIS 113 2.489 21.594 3.280 926 HB2 HIS 113 2HB HIS 113 3.258 21.844 0.336 927 HB3 HIS 113 3HB HIS 113 4.319 21.138 1.551 928 HD1 HIS 113 HD1 HIS 113 1.912 20.164 -0.918 929 HD2 HIS 113 HD2 HIS 113 2.921 18.810 2.885 930 HE1 HIS 113 HE1 HIS 113 0.989 17.839 -0.754 931 HE2 HIS 113 HE2 HIS 113 1.508 17.090 1.583 932 H HIS 114 H HIS 114 4.513 22.297 4.031 933 HA HIS 114 HA HIS 114 6.200 23.665 4.615 934 HB2 HIS 114 2HB HIS 114 5.884 24.760 1.795 935 HB3 HIS 114 3HB HIS 114 7.306 24.961 2.812 936 HD1 HIS 114 HD1 HIS 114 6.402 23.092 0.016 937 HD2 HIS 114 HD2 HIS 114 8.160 22.049 3.631 938 HE1 HIS 114 HE1 HIS 114 7.508 20.874 -0.387 939 HE2 HIS 114 HE2 HIS 114 8.653 20.330 1.785 940 H HIS 115 H HIS 115 3.645 24.565 5.486 941 HA HIS 115 HA HIS 115 3.364 27.394 5.231 942 HB2 HIS 115 2HB HIS 115 2.341 25.447 7.327 943 HB3 HIS 115 3HB HIS 115 2.032 27.175 7.445 944 HD1 HIS 115 HD1 HIS 115 0.174 24.437 6.649 945 HD2 HIS 115 HD2 HIS 115 0.993 27.893 4.497 946 HE1 HIS 115 HE1 HIS 115 -1.701 24.671 5.011 947 HE2 HIS 115 HE2 HIS 115 -1.214 26.783 3.748 948 H HIS 116 H HIS 116 5.104 28.600 5.645 949 HA HIS 116 HA HIS 116 6.474 28.444 8.269 950 HB2 HIS 116 2HB HIS 116 7.938 27.504 6.509 951 HB3 HIS 116 3HB HIS 116 7.702 28.935 5.515 952 HD1 HIS 116 HD1 HIS 116 9.497 27.748 8.601 953 HD2 HIS 116 HD2 HIS 116 9.346 31.104 6.155 954 HE1 HIS 116 HE1 HIS 116 11.482 29.146 9.239 955 HE2 HIS 116 HE2 HIS 116 11.290 31.226 7.848 956 H HIS 117 H HIS 117 6.117 30.307 9.355 957 HA HIS 117 HA HIS 117 5.204 32.715 8.007 958 HB2 HIS 117 2HB HIS 117 4.198 31.979 10.177 959 HB3 HIS 117 3HB HIS 117 5.747 32.231 10.976 960 HD1 HIS 117 HD1 HIS 117 6.107 34.515 11.948 961 HD2 HIS 117 HD2 HIS 117 3.088 34.527 9.086 962 HE1 HIS 117 HE1 HIS 117 5.107 36.815 12.026 963 HE2 HIS 117 HE2 HIS 117 3.400 36.843 10.185 Start of MODEL 2 1 H1 MET 1 1H MET 1 9.267 -17.200 5.831 2 H2 MET 1 2H MET 1 10.034 -18.527 6.531 3 H3 MET 1 3H MET 1 9.104 -17.490 7.488 4 HA MET 1 HA MET 1 7.938 -19.527 7.075 5 HB2 MET 1 2HB MET 1 6.630 -17.453 7.337 6 HB3 MET 1 3HB MET 1 6.770 -17.114 5.620 7 HG2 MET 1 2HG MET 1 5.347 -19.007 5.078 8 HG3 MET 1 3HG MET 1 5.322 -19.515 6.769 9 HE1 MET 1 3HE MET 1 1.651 -18.121 5.886 10 HE2 MET 1 1HE MET 1 2.539 -19.567 6.363 11 HE3 MET 1 2HE MET 1 2.757 -18.889 4.748 12 H ALA 2 H ALA 2 8.731 -17.799 4.063 13 HA ALA 2 HA ALA 2 9.256 -20.248 2.635 14 HB1 ALA 2 3HB ALA 2 6.804 -20.169 2.363 15 HB2 ALA 2 1HB ALA 2 7.616 -19.909 0.818 16 HB3 ALA 2 2HB ALA 2 6.916 -18.541 1.691 17 H GLY 3 H GLY 3 8.332 -16.846 2.019 18 HA2 GLY 3 2HA GLY 3 9.610 -15.044 1.317 19 HA3 GLY 3 3HA GLY 3 11.014 -16.095 1.222 20 H LYS 4 H LYS 4 9.075 -14.213 -0.586 21 HA LYS 4 HA LYS 4 8.747 -13.818 -2.752 22 HB2 LYS 4 2HB LYS 4 11.171 -14.308 -2.999 23 HB3 LYS 4 3HB LYS 4 10.791 -15.998 -3.316 24 HG2 LYS 4 2HG LYS 4 9.582 -15.361 -5.362 25 HG3 LYS 4 3HG LYS 4 9.900 -13.656 -5.030 26 HD2 LYS 4 2HD LYS 4 12.360 -14.126 -5.198 27 HD3 LYS 4 3HD LYS 4 11.977 -15.795 -5.641 28 HE2 LYS 4 2HE LYS 4 12.452 -14.493 -7.643 29 HE3 LYS 4 3HE LYS 4 10.749 -14.952 -7.636 30 HZ1 LYS 4 3HZ LYS 4 11.057 -12.647 -8.294 31 HZ2 LYS 4 1HZ LYS 4 11.831 -12.298 -6.831 32 HZ3 LYS 4 2HZ LYS 4 10.197 -12.729 -6.841 33 H GLU 5 H GLU 5 6.635 -14.347 -2.979 34 HA GLU 5 HA GLU 5 5.982 -16.490 -4.758 35 HB2 GLU 5 2HB GLU 5 5.935 -17.745 -2.625 36 HB3 GLU 5 3HB GLU 5 4.813 -16.575 -1.937 37 HG2 GLU 5 2HG GLU 5 3.095 -17.246 -3.563 38 HG3 GLU 5 3HG GLU 5 4.220 -18.389 -4.300 39 H LEU 6 H LEU 6 4.133 -14.654 -2.290 40 HA LEU 6 HA LEU 6 2.114 -13.888 -4.234 41 HB2 LEU 6 2HB LEU 6 2.372 -13.182 -1.277 42 HB3 LEU 6 3HB LEU 6 0.933 -12.965 -2.265 43 HG LEU 6 HG LEU 6 2.182 -15.671 -1.623 44 HD11 LEU 6 1HD1 LEU 6 0.318 -16.067 -0.106 45 HD12 LEU 6 2HD1 LEU 6 -0.294 -14.437 -0.393 46 HD13 LEU 6 3HD1 LEU 6 1.259 -14.669 0.412 47 HD21 LEU 6 3HD2 LEU 6 0.092 -16.620 -2.521 48 HD22 LEU 6 1HD2 LEU 6 0.987 -15.714 -3.740 49 HD23 LEU 6 2HD2 LEU 6 -0.442 -15.003 -2.985 50 H ARG 7 H ARG 7 2.709 -12.309 -5.607 51 HA ARG 7 HA ARG 7 4.881 -10.522 -4.951 52 HB2 ARG 7 2HB ARG 7 3.343 -11.036 -7.527 53 HB3 ARG 7 3HB ARG 7 4.665 -9.872 -7.409 54 HG2 ARG 7 2HG ARG 7 6.181 -11.709 -6.678 55 HG3 ARG 7 3HG ARG 7 4.864 -12.859 -6.894 56 HD2 ARG 7 2HD ARG 7 5.848 -11.112 -9.157 57 HD3 ARG 7 3HD ARG 7 6.599 -12.657 -8.774 58 HE ARG 7 HE ARG 7 3.712 -12.496 -9.393 59 HH11 ARG 7 1HH1 ARG 7 6.909 -13.759 -10.162 60 HH12 ARG 7 2HH1 ARG 7 6.308 -14.889 -11.332 61 HH21 ARG 7 1HH2 ARG 7 2.959 -13.945 -10.946 62 HH22 ARG 7 2HH2 ARG 7 4.057 -14.996 -11.782 63 H VAL 8 H VAL 8 4.645 -8.586 -4.110 64 HA VAL 8 HA VAL 8 2.211 -6.978 -4.620 65 HB VAL 8 HB VAL 8 4.239 -6.306 -2.449 66 HG11 VAL 8 1HG1 VAL 8 2.329 -5.183 -1.411 67 HG12 VAL 8 2HG1 VAL 8 1.262 -5.763 -2.691 68 HG13 VAL 8 3HG1 VAL 8 2.558 -4.625 -3.069 69 HG21 VAL 8 3HG2 VAL 8 2.973 -7.568 -0.763 70 HG22 VAL 8 1HG2 VAL 8 3.657 -8.641 -1.987 71 HG23 VAL 8 2HG2 VAL 8 1.941 -8.243 -2.024 72 H GLU 9 H GLU 9 2.550 -5.371 -6.098 73 HA GLU 9 HA GLU 9 5.248 -4.153 -6.336 74 HB2 GLU 9 2HB GLU 9 4.251 -5.232 -8.409 75 HB3 GLU 9 3HB GLU 9 2.948 -4.048 -8.347 76 HG2 GLU 9 2HG GLU 9 4.657 -2.226 -8.568 77 HG3 GLU 9 3HG GLU 9 5.903 -3.460 -8.753 78 H ILE 10 H ILE 10 5.091 -2.599 -4.705 79 HA ILE 10 HA ILE 10 2.789 -0.783 -4.636 80 HB ILE 10 HB ILE 10 5.318 -0.847 -2.899 81 HG12 ILE 10 2HG1 ILE 10 3.808 -2.815 -2.551 82 HG13 ILE 10 3HG1 ILE 10 3.951 -1.800 -1.124 83 HG21 ILE 10 1HG2 ILE 10 4.400 1.426 -3.011 84 HG22 ILE 10 2HG2 ILE 10 4.150 0.739 -1.409 85 HG23 ILE 10 3HG2 ILE 10 2.804 0.831 -2.546 86 HD11 ILE 10 3HD1 ILE 10 1.692 -2.584 -1.429 87 HD12 ILE 10 1HD1 ILE 10 1.623 -1.860 -3.033 88 HD13 ILE 10 2HD1 ILE 10 1.754 -0.831 -1.604 89 H LYS 11 H LYS 11 2.901 0.832 -6.143 90 HA LYS 11 HA LYS 11 5.462 2.137 -6.775 91 HB2 LYS 11 2HB LYS 11 2.750 2.036 -8.082 92 HB3 LYS 11 3HB LYS 11 3.608 3.563 -8.232 93 HG2 LYS 11 2HG LYS 11 4.701 0.862 -9.085 94 HG3 LYS 11 3HG LYS 11 3.993 2.076 -10.159 95 HD2 LYS 11 2HD LYS 11 5.785 3.695 -9.429 96 HD3 LYS 11 3HD LYS 11 6.521 2.394 -8.485 97 HE2 LYS 11 2HE LYS 11 7.684 2.641 -10.598 98 HE3 LYS 11 3HE LYS 11 6.837 1.093 -10.583 99 HZ1 LYS 11 3HZ LYS 11 5.051 2.181 -11.869 100 HZ2 LYS 11 1HZ LYS 11 6.531 2.139 -12.683 101 HZ3 LYS 11 2HZ LYS 11 6.002 3.575 -11.971 102 H ILE 12 H ILE 12 6.038 3.442 -5.149 103 HA ILE 12 HA ILE 12 4.178 5.517 -4.181 104 HB ILE 12 HB ILE 12 7.118 5.014 -3.440 105 HG12 ILE 12 2HG1 ILE 12 5.650 3.145 -2.683 106 HG13 ILE 12 3HG1 ILE 12 6.318 4.038 -1.322 107 HG21 ILE 12 1HG2 ILE 12 6.486 7.365 -3.104 108 HG22 ILE 12 2HG2 ILE 12 6.727 6.571 -1.550 109 HG23 ILE 12 3HG2 ILE 12 5.091 6.880 -2.136 110 HD11 ILE 12 3HD1 ILE 12 4.013 3.463 -0.913 111 HD12 ILE 12 1HD1 ILE 12 3.513 4.252 -2.407 112 HD13 ILE 12 2HD1 ILE 12 4.160 5.213 -1.076 113 H ASP 13 H ASP 13 3.974 7.081 -5.709 114 HA ASP 13 HA ASP 13 6.370 7.997 -7.190 115 HB2 ASP 13 2HB ASP 13 4.490 7.297 -8.651 116 HB3 ASP 13 3HB ASP 13 3.414 8.429 -7.842 117 H CYS 14 H CYS 14 7.286 9.510 -5.954 118 HA CYS 14 HA CYS 14 5.837 11.398 -4.315 119 HB2 CYS 14 2HB CYS 14 8.131 12.384 -3.968 120 HB3 CYS 14 3HB CYS 14 8.048 10.658 -3.620 121 HG CYS 14 HG CYS 14 9.724 9.828 -5.395 122 H GLY 15 H GLY 15 7.179 11.292 -7.519 123 HA2 GLY 15 2HA GLY 15 5.702 13.398 -8.612 124 HA3 GLY 15 3HA GLY 15 7.303 14.030 -8.199 125 H ASN 16 H ASN 16 5.653 12.901 -10.728 126 HA ASN 16 HA ASN 16 7.291 10.929 -11.931 127 HB2 ASN 16 2HB ASN 16 4.967 11.329 -12.674 128 HB3 ASN 16 3HB ASN 16 5.394 12.944 -13.225 129 HD21 ASN 16 1HD2 ASN 16 4.882 12.645 -15.374 130 HD22 ASN 16 2HD2 ASN 16 5.710 11.541 -16.415 131 H ASP 17 H ASP 17 9.424 11.600 -11.664 132 HA ASP 17 HA ASP 17 10.644 13.027 -13.785 133 HB2 ASP 17 2HB ASP 17 9.797 14.974 -12.326 134 HB3 ASP 17 3HB ASP 17 10.907 14.436 -11.074 135 H ASP 18 H ASP 18 10.982 10.601 -13.234 136 HA ASP 18 HA ASP 18 12.502 8.961 -13.076 137 HB2 ASP 18 2HB ASP 18 14.486 11.143 -12.308 138 HB3 ASP 18 3HB ASP 18 14.928 9.473 -12.645 139 H LYS 19 H LYS 19 11.467 10.630 -10.371 140 HA LYS 19 HA LYS 19 13.049 9.062 -8.433 141 HB2 LYS 19 2HB LYS 19 11.513 11.673 -8.189 142 HB3 LYS 19 3HB LYS 19 12.120 10.804 -6.782 143 HG2 LYS 19 2HG LYS 19 14.424 11.023 -7.585 144 HG3 LYS 19 3HG LYS 19 13.857 11.808 -9.062 145 HD2 LYS 19 2HD LYS 19 13.109 13.753 -7.836 146 HD3 LYS 19 3HD LYS 19 13.377 12.951 -6.285 147 HE2 LYS 19 2HE LYS 19 15.157 14.596 -6.826 148 HE3 LYS 19 3HE LYS 19 15.789 12.961 -6.645 149 HZ1 LYS 19 3HZ LYS 19 15.204 14.279 -9.239 150 HZ2 LYS 19 1HZ LYS 19 15.895 12.757 -9.030 151 HZ3 LYS 19 2HZ LYS 19 16.739 14.139 -8.551 152 H GLU 20 H GLU 20 10.437 8.355 -9.996 153 HA GLU 20 HA GLU 20 8.594 7.509 -7.996 154 HB2 GLU 20 2HB GLU 20 7.796 5.884 -9.724 155 HB3 GLU 20 3HB GLU 20 7.919 7.527 -10.344 156 HG2 GLU 20 2HG GLU 20 10.047 6.970 -11.455 157 HG3 GLU 20 3HG GLU 20 9.965 5.330 -10.818 158 H THR 21 H THR 21 8.536 5.565 -6.798 159 HA THR 21 HA THR 21 11.042 3.992 -6.694 160 HB THR 21 HB THR 21 10.850 4.033 -4.159 161 HG1 THR 21 HG1 THR 21 8.557 5.250 -4.664 162 HG21 THR 21 3HG2 THR 21 12.498 5.502 -5.282 163 HG22 THR 21 1HG2 THR 21 11.841 6.270 -3.834 164 HG23 THR 21 2HG2 THR 21 11.277 6.769 -5.429 165 H THR 22 H THR 22 10.624 1.871 -6.814 166 HA THR 22 HA THR 22 7.852 0.936 -6.365 167 HB THR 22 HB THR 22 9.938 -0.584 -7.998 168 HG1 THR 22 HG1 THR 22 9.347 0.577 -9.783 169 HG21 THR 22 3HG2 THR 22 6.896 -0.434 -8.166 170 HG22 THR 22 1HG2 THR 22 7.805 -1.747 -7.408 171 HG23 THR 22 2HG2 THR 22 7.941 -1.467 -9.144 172 H TYR 23 H TYR 23 7.531 -0.475 -4.771 173 HA TYR 23 HA TYR 23 9.797 -1.897 -3.539 174 HB2 TYR 23 2HB TYR 23 7.036 -1.134 -2.458 175 HB3 TYR 23 3HB TYR 23 8.119 -2.250 -1.628 176 HD1 TYR 23 HD1 TYR 23 7.720 1.293 -2.724 177 HD2 TYR 23 HD2 TYR 23 10.039 -1.455 -0.404 178 HE1 TYR 23 HE1 TYR 23 8.945 3.171 -1.712 179 HE2 TYR 23 HE2 TYR 23 11.250 0.420 0.606 180 HH TYR 23 HH TYR 23 11.783 2.690 0.171 181 H ASP 24 H ASP 24 9.998 -3.949 -4.071 182 HA ASP 24 HA ASP 24 7.617 -5.598 -4.707 183 HB2 ASP 24 2HB ASP 24 9.224 -5.870 -6.457 184 HB3 ASP 24 3HB ASP 24 10.567 -6.004 -5.330 185 H LEU 25 H LEU 25 6.844 -6.313 -2.911 186 HA LEU 25 HA LEU 25 8.579 -7.630 -0.920 187 HB2 LEU 25 2HB LEU 25 7.041 -6.865 0.868 188 HB3 LEU 25 3HB LEU 25 7.905 -5.541 0.119 189 HG LEU 25 HG LEU 25 5.049 -6.195 -0.690 190 HD11 LEU 25 1HD1 LEU 25 5.866 -4.336 1.563 191 HD12 LEU 25 2HD1 LEU 25 4.993 -5.860 1.728 192 HD13 LEU 25 3HD1 LEU 25 4.239 -4.505 0.896 193 HD21 LEU 25 3HD2 LEU 25 6.638 -3.612 -0.833 194 HD22 LEU 25 1HD2 LEU 25 4.977 -3.851 -1.376 195 HD23 LEU 25 2HD2 LEU 25 6.291 -4.693 -2.187 196 H TYR 26 H TYR 26 7.167 -9.025 0.501 197 HA TYR 26 HA TYR 26 5.032 -10.400 -0.992 198 HB2 TYR 26 2HB TYR 26 7.464 -11.838 0.196 199 HB3 TYR 26 3HB TYR 26 6.103 -12.597 -0.625 200 HD1 TYR 26 HD1 TYR 26 5.801 -12.244 -3.107 201 HD2 TYR 26 HD2 TYR 26 9.318 -10.888 -1.089 202 HE1 TYR 26 HE1 TYR 26 6.955 -12.022 -5.256 203 HE2 TYR 26 HE2 TYR 26 10.468 -10.670 -3.260 204 HH TYR 26 HH TYR 26 9.022 -10.528 -6.103 205 H PHE 27 H PHE 27 3.360 -10.391 0.404 206 HA PHE 27 HA PHE 27 3.771 -10.336 3.279 207 HB2 PHE 27 2HB PHE 27 1.549 -9.696 3.454 208 HB3 PHE 27 3HB PHE 27 1.777 -9.257 1.773 209 HD1 PHE 27 HD1 PHE 27 0.735 -10.609 -0.026 210 HD2 PHE 27 HD2 PHE 27 0.116 -11.568 4.095 211 HE1 PHE 27 HE1 PHE 27 -1.146 -12.069 -0.631 212 HE2 PHE 27 HE2 PHE 27 -1.753 -13.025 3.473 213 HZ PHE 27 HZ PHE 27 -2.391 -13.279 1.111 214 H SER 28 H SER 28 3.721 -12.123 4.620 215 HA SER 28 HA SER 28 3.741 -14.759 3.430 216 HB2 SER 28 2HB SER 28 3.963 -13.927 6.349 217 HB3 SER 28 3HB SER 28 4.282 -15.540 5.714 218 HG SER 28 HG SER 28 6.243 -14.643 5.738 219 H LYS 29 H LYS 29 1.753 -13.206 5.993 220 HA LYS 29 HA LYS 29 -0.683 -14.396 5.054 221 HB2 LYS 29 2HB LYS 29 0.302 -16.350 6.225 222 HB3 LYS 29 3HB LYS 29 0.432 -15.409 7.708 223 HG2 LYS 29 2HG LYS 29 -1.984 -15.263 7.902 224 HG3 LYS 29 3HG LYS 29 -2.199 -16.018 6.319 225 HD2 LYS 29 2HD LYS 29 -1.124 -18.104 7.215 226 HD3 LYS 29 3HD LYS 29 -1.040 -17.342 8.806 227 HE2 LYS 29 2HE LYS 29 -3.495 -17.187 8.875 228 HE3 LYS 29 3HE LYS 29 -3.597 -17.887 7.258 229 HZ1 LYS 29 3HZ LYS 29 -4.017 -19.524 8.987 230 HZ2 LYS 29 1HZ LYS 29 -2.484 -19.257 9.645 231 HZ3 LYS 29 2HZ LYS 29 -2.633 -19.923 8.103 232 H ALA 30 H ALA 30 0.584 -13.309 8.259 233 HA ALA 30 HA ALA 30 -1.299 -11.051 8.284 234 HB1 ALA 30 3HB ALA 30 -2.273 -11.711 10.439 235 HB2 ALA 30 1HB ALA 30 -1.320 -13.200 10.436 236 HB3 ALA 30 2HB ALA 30 -2.571 -12.948 9.218 237 H GLU 31 H GLU 31 1.071 -12.839 10.338 238 HA GLU 31 HA GLU 31 1.763 -10.627 11.975 239 HB2 GLU 31 2HB GLU 31 2.146 -12.872 12.792 240 HB3 GLU 31 3HB GLU 31 3.146 -13.279 11.405 241 HG2 GLU 31 2HG GLU 31 4.545 -13.012 13.363 242 HG3 GLU 31 3HG GLU 31 4.895 -11.725 12.215 243 H GLU 32 H GLU 32 3.586 -12.214 9.350 244 HA GLU 32 HA GLU 32 5.655 -10.269 9.200 245 HB2 GLU 32 2HB GLU 32 4.795 -12.275 7.075 246 HB3 GLU 32 3HB GLU 32 6.340 -11.440 7.146 247 HG2 GLU 32 2HG GLU 32 5.325 -13.489 9.135 248 HG3 GLU 32 3HG GLU 32 6.540 -13.767 7.891 249 H ALA 33 H ALA 33 2.602 -10.787 7.513 250 HA ALA 33 HA ALA 33 2.756 -8.894 5.468 251 HB1 ALA 33 3HB ALA 33 0.296 -9.748 7.035 252 HB2 ALA 33 1HB ALA 33 0.956 -10.566 5.620 253 HB3 ALA 33 2HB ALA 33 0.288 -8.940 5.464 254 H LYS 34 H LYS 34 1.798 -8.524 8.872 255 HA LYS 34 HA LYS 34 0.841 -5.846 8.735 256 HB2 LYS 34 2HB LYS 34 0.346 -7.580 10.542 257 HB3 LYS 34 3HB LYS 34 1.960 -7.297 11.181 258 HG2 LYS 34 2HG LYS 34 1.345 -4.908 11.575 259 HG3 LYS 34 3HG LYS 34 -0.290 -5.264 11.011 260 HD2 LYS 34 2HD LYS 34 -0.485 -6.978 12.855 261 HD3 LYS 34 3HD LYS 34 1.093 -6.447 13.450 262 HE2 LYS 34 2HE LYS 34 -0.689 -5.384 14.732 263 HE3 LYS 34 3HE LYS 34 0.168 -4.162 13.789 264 HZ1 LYS 34 3HZ LYS 34 -2.262 -3.913 13.714 265 HZ2 LYS 34 1HZ LYS 34 -2.398 -5.428 12.978 266 HZ3 LYS 34 2HZ LYS 34 -1.602 -4.169 12.180 267 H GLU 35 H GLU 35 4.015 -7.250 9.446 268 HA GLU 35 HA GLU 35 5.390 -4.837 10.094 269 HB2 GLU 35 2HB GLU 35 6.328 -6.970 10.749 270 HB3 GLU 35 3HB GLU 35 6.343 -7.544 9.085 271 HG2 GLU 35 2HG GLU 35 8.604 -7.015 9.789 272 HG3 GLU 35 3HG GLU 35 8.106 -5.892 8.537 273 H LEU 36 H LEU 36 4.912 -6.627 7.044 274 HA LEU 36 HA LEU 36 6.468 -4.930 5.381 275 HB2 LEU 36 2HB LEU 36 4.432 -7.094 4.899 276 HB3 LEU 36 3HB LEU 36 4.778 -6.014 3.563 277 HG LEU 36 HG LEU 36 6.158 -7.947 3.264 278 HD11 LEU 36 1HD1 LEU 36 7.253 -5.811 2.745 279 HD12 LEU 36 2HD1 LEU 36 8.416 -7.030 3.250 280 HD13 LEU 36 3HD1 LEU 36 7.940 -5.752 4.370 281 HD21 LEU 36 3HD2 LEU 36 7.184 -7.620 6.099 282 HD22 LEU 36 1HD2 LEU 36 7.779 -8.786 4.913 283 HD23 LEU 36 2HD2 LEU 36 6.124 -8.900 5.505 284 H LEU 37 H LEU 37 3.152 -4.840 6.442 285 HA LEU 37 HA LEU 37 2.144 -2.717 4.854 286 HB2 LEU 37 2HB LEU 37 0.672 -4.161 6.082 287 HB3 LEU 37 3HB LEU 37 1.446 -3.826 7.608 288 HG LEU 37 HG LEU 37 -0.008 -1.555 6.211 289 HD11 LEU 37 1HD1 LEU 37 -2.142 -2.214 7.248 290 HD12 LEU 37 2HD1 LEU 37 -1.422 -3.724 7.808 291 HD13 LEU 37 3HD1 LEU 37 -1.606 -3.419 6.079 292 HD21 LEU 37 3HD2 LEU 37 -0.500 -0.854 8.536 293 HD22 LEU 37 1HD2 LEU 37 1.235 -1.063 8.285 294 HD23 LEU 37 2HD2 LEU 37 0.318 -2.295 9.149 295 H LYS 38 H LYS 38 3.749 -2.880 7.993 296 HA LYS 38 HA LYS 38 3.693 -0.137 8.653 297 HB2 LYS 38 2HB LYS 38 4.077 -2.141 10.213 298 HB3 LYS 38 3HB LYS 38 5.733 -2.182 9.621 299 HG2 LYS 38 2HG LYS 38 6.084 0.127 10.471 300 HG3 LYS 38 3HG LYS 38 4.418 0.149 11.055 301 HD2 LYS 38 2HD LYS 38 5.787 -0.340 12.952 302 HD3 LYS 38 3HD LYS 38 5.010 -1.863 12.509 303 HE2 LYS 38 2HE LYS 38 7.376 -2.157 13.093 304 HE3 LYS 38 3HE LYS 38 7.054 -2.619 11.423 305 HZ1 LYS 38 3HZ LYS 38 8.001 -0.550 10.685 306 HZ2 LYS 38 1HZ LYS 38 9.105 -1.323 11.707 307 HZ3 LYS 38 2HZ LYS 38 8.196 -0.017 12.273 308 H LYS 39 H LYS 39 5.924 -2.165 6.863 309 HA LYS 39 HA LYS 39 8.075 -0.335 6.638 310 HB2 LYS 39 2HB LYS 39 7.349 -2.922 5.236 311 HB3 LYS 39 3HB LYS 39 8.648 -1.930 4.582 312 HG2 LYS 39 2HG LYS 39 8.581 -2.941 7.445 313 HG3 LYS 39 3HG LYS 39 9.429 -3.749 6.124 314 HD2 LYS 39 2HD LYS 39 10.936 -1.880 5.828 315 HD3 LYS 39 3HD LYS 39 9.990 -0.861 6.916 316 HE2 LYS 39 2HE LYS 39 11.461 -3.370 7.800 317 HE3 LYS 39 3HE LYS 39 12.113 -1.736 7.917 318 HZ1 LYS 39 3HZ LYS 39 11.126 -2.445 9.993 319 HZ2 LYS 39 1HZ LYS 39 9.640 -2.695 9.229 320 HZ3 LYS 39 2HZ LYS 39 10.268 -1.135 9.344 321 H VAL 40 H VAL 40 5.430 -1.163 4.327 322 HA VAL 40 HA VAL 40 6.147 0.620 2.284 323 HB VAL 40 HB VAL 40 3.331 -0.266 3.096 324 HG11 VAL 40 1HG1 VAL 40 2.645 0.357 0.786 325 HG12 VAL 40 2HG1 VAL 40 4.245 1.045 0.499 326 HG13 VAL 40 3HG1 VAL 40 3.183 1.757 1.715 327 HG21 VAL 40 3HG2 VAL 40 5.191 -1.382 0.954 328 HG22 VAL 40 1HG2 VAL 40 3.543 -1.930 1.279 329 HG23 VAL 40 2HG2 VAL 40 4.803 -2.153 2.491 330 H ALA 41 H ALA 41 4.181 1.128 5.196 331 HA ALA 41 HA ALA 41 3.311 3.764 4.703 332 HB1 ALA 41 3HB ALA 41 3.740 2.393 7.371 333 HB2 ALA 41 1HB ALA 41 2.292 2.270 6.369 334 HB3 ALA 41 2HB ALA 41 2.740 3.820 7.083 335 H GLU 42 H GLU 42 6.061 2.647 6.721 336 HA GLU 42 HA GLU 42 6.865 5.247 7.552 337 HB2 GLU 42 2HB GLU 42 8.894 4.127 8.463 338 HB3 GLU 42 3HB GLU 42 7.423 3.260 8.889 339 HG2 GLU 42 2HG GLU 42 7.861 1.621 7.089 340 HG3 GLU 42 3HG GLU 42 9.328 2.489 6.660 341 H LYS 43 H LYS 43 7.838 3.166 4.873 342 HA LYS 43 HA LYS 43 10.131 4.739 4.120 343 HB2 LYS 43 2HB LYS 43 8.703 2.490 2.667 344 HB3 LYS 43 3HB LYS 43 10.213 3.209 2.140 345 HG2 LYS 43 2HG LYS 43 9.953 1.847 4.841 346 HG3 LYS 43 3HG LYS 43 10.309 0.952 3.371 347 HD2 LYS 43 2HD LYS 43 12.401 1.309 4.435 348 HD3 LYS 43 3HD LYS 43 12.356 2.434 3.080 349 HE2 LYS 43 2HE LYS 43 13.324 3.475 5.089 350 HE3 LYS 43 3HE LYS 43 11.828 4.278 4.618 351 HZ1 LYS 43 3HZ LYS 43 11.920 3.977 6.984 352 HZ2 LYS 43 1HZ LYS 43 12.148 2.310 6.827 353 HZ3 LYS 43 2HZ LYS 43 10.690 3.013 6.356 354 H ALA 44 H ALA 44 6.737 4.577 3.131 355 HA ALA 44 HA ALA 44 6.904 6.239 0.813 356 HB1 ALA 44 3HB ALA 44 4.971 4.774 1.247 357 HB2 ALA 44 1HB ALA 44 4.454 6.449 1.042 358 HB3 ALA 44 2HB ALA 44 4.537 5.739 2.657 359 H ALA 45 H ALA 45 6.321 6.838 4.243 360 HA ALA 45 HA ALA 45 5.632 9.533 4.264 361 HB1 ALA 45 3HB ALA 45 7.190 7.998 6.366 362 HB2 ALA 45 1HB ALA 45 5.433 8.049 6.214 363 HB3 ALA 45 2HB ALA 45 6.325 9.515 6.628 364 H ASP 46 H ASP 46 8.811 8.052 3.982 365 HA ASP 46 HA ASP 46 10.449 10.316 4.361 366 HB2 ASP 46 2HB ASP 46 10.878 7.858 2.615 367 HB3 ASP 46 3HB ASP 46 12.126 9.059 2.937 368 H LYS 47 H LYS 47 9.005 8.979 1.378 369 HA LYS 47 HA LYS 47 10.093 10.857 -0.455 370 HB2 LYS 47 2HB LYS 47 7.650 9.043 -0.640 371 HB3 LYS 47 3HB LYS 47 8.120 10.105 -1.961 372 HG2 LYS 47 2HG LYS 47 8.937 7.890 -2.435 373 HG3 LYS 47 3HG LYS 47 10.324 8.924 -2.086 374 HD2 LYS 47 2HD LYS 47 10.395 7.995 0.228 375 HD3 LYS 47 3HD LYS 47 9.038 6.940 -0.172 376 HE2 LYS 47 2HE LYS 47 10.387 5.764 -1.822 377 HE3 LYS 47 3HE LYS 47 11.730 6.882 -1.571 378 HZ1 LYS 47 3HZ LYS 47 12.073 4.838 -0.358 379 HZ2 LYS 47 1HZ LYS 47 10.612 5.036 0.465 380 HZ3 LYS 47 2HZ LYS 47 11.880 6.121 0.721 381 H ILE 48 H ILE 48 7.258 10.879 1.594 382 HA ILE 48 HA ILE 48 5.953 13.159 0.533 383 HB ILE 48 HB ILE 48 5.857 12.209 3.429 384 HG12 ILE 48 2HG1 ILE 48 5.318 10.303 2.035 385 HG13 ILE 48 3HG1 ILE 48 3.817 10.896 2.726 386 HG21 ILE 48 1HG2 ILE 48 4.871 14.436 3.145 387 HG22 ILE 48 2HG2 ILE 48 3.607 13.253 3.473 388 HG23 ILE 48 3HG2 ILE 48 3.849 13.846 1.831 389 HD11 ILE 48 3HD1 ILE 48 3.294 11.983 0.567 390 HD12 ILE 48 1HD1 ILE 48 3.496 10.237 0.437 391 HD13 ILE 48 2HD1 ILE 48 4.783 11.310 -0.107 392 H LYS 49 H LYS 49 8.459 12.729 2.989 393 HA LYS 49 HA LYS 49 8.659 15.420 3.863 394 HB2 LYS 49 2HB LYS 49 9.544 13.454 5.130 395 HB3 LYS 49 3HB LYS 49 10.777 13.230 3.899 396 HG2 LYS 49 2HG LYS 49 11.875 14.288 5.694 397 HG3 LYS 49 3HG LYS 49 11.634 15.560 4.504 398 HD2 LYS 49 2HD LYS 49 9.467 15.349 6.552 399 HD3 LYS 49 3HD LYS 49 11.045 15.773 7.200 400 HE2 LYS 49 2HE LYS 49 9.895 17.820 6.794 401 HE3 LYS 49 3HE LYS 49 11.110 17.685 5.526 402 HZ1 LYS 49 3HZ LYS 49 8.268 16.908 5.150 403 HZ2 LYS 49 1HZ LYS 49 9.444 17.121 3.959 404 HZ3 LYS 49 2HZ LYS 49 8.859 18.451 4.807 405 H LYS 50 H LYS 50 10.037 13.678 1.154 406 HA LYS 50 HA LYS 50 12.076 15.563 0.472 407 HB2 LYS 50 2HB LYS 50 10.869 13.157 -0.887 408 HB3 LYS 50 3HB LYS 50 11.785 14.281 -1.883 409 HG2 LYS 50 2HG LYS 50 13.179 12.406 -1.141 410 HG3 LYS 50 3HG LYS 50 13.782 13.933 -0.491 411 HD2 LYS 50 2HD LYS 50 12.688 13.408 1.684 412 HD3 LYS 50 3HD LYS 50 12.122 11.879 1.013 413 HE2 LYS 50 2HE LYS 50 14.458 11.134 0.737 414 HE3 LYS 50 3HE LYS 50 15.024 12.671 1.395 415 HZ1 LYS 50 3HZ LYS 50 15.043 11.011 3.108 416 HZ2 LYS 50 1HZ LYS 50 13.422 10.623 2.828 417 HZ3 LYS 50 2HZ LYS 50 13.829 12.133 3.467 418 H GLN 51 H GLN 51 8.694 15.127 -0.574 419 HA GLN 51 HA GLN 51 8.450 17.858 -1.412 420 HB2 GLN 51 2HB GLN 51 7.966 17.376 -3.863 421 HB3 GLN 51 3HB GLN 51 9.652 17.219 -3.386 422 HG2 GLN 51 2HG GLN 51 9.426 14.769 -3.314 423 HG3 GLN 51 3HG GLN 51 7.725 14.909 -3.775 424 HE21 GLN 51 1HE2 GLN 51 7.214 15.421 -5.918 425 HE22 GLN 51 2HE2 GLN 51 8.384 15.380 -7.189 426 H GLY 52 H GLY 52 7.158 14.658 -1.105 427 HA2 GLY 52 2HA GLY 52 4.905 14.448 -0.166 428 HA3 GLY 52 3HA GLY 52 4.378 15.709 -1.280 429 H CYS 53 H CYS 53 2.806 14.292 -2.113 430 HA CYS 53 HA CYS 53 3.539 13.060 -4.557 431 HB2 CYS 53 2HB CYS 53 2.759 10.769 -4.133 432 HB3 CYS 53 3HB CYS 53 4.083 11.131 -3.029 433 HG CYS 53 HG CYS 53 1.235 11.909 -1.588 434 H LYS 54 H LYS 54 1.672 12.893 -5.874 435 HA LYS 54 HA LYS 54 -0.840 13.916 -4.683 436 HB2 LYS 54 2HB LYS 54 -1.497 14.594 -6.947 437 HB3 LYS 54 3HB LYS 54 0.038 15.317 -6.485 438 HG2 LYS 54 2HG LYS 54 1.248 13.685 -7.866 439 HG3 LYS 54 3HG LYS 54 -0.275 12.913 -8.316 440 HD2 LYS 54 2HD LYS 54 0.455 15.804 -8.929 441 HD3 LYS 54 3HD LYS 54 0.600 14.471 -10.075 442 HE2 LYS 54 2HE LYS 54 -1.867 14.107 -9.907 443 HE3 LYS 54 3HE LYS 54 -1.973 15.498 -8.825 444 HZ1 LYS 54 3HZ LYS 54 -1.107 16.891 -10.614 445 HZ2 LYS 54 1HZ LYS 54 -2.535 16.113 -11.083 446 HZ3 LYS 54 2HZ LYS 54 -1.043 15.554 -11.648 447 H ARG 55 H ARG 55 0.575 11.175 -6.302 448 HA ARG 55 HA ARG 55 -1.887 9.642 -5.990 449 HB2 ARG 55 2HB ARG 55 -1.922 10.685 -8.314 450 HB3 ARG 55 3HB ARG 55 -0.475 9.763 -8.699 451 HG2 ARG 55 2HG ARG 55 -1.723 7.651 -8.320 452 HG3 ARG 55 3HG ARG 55 -3.176 8.582 -7.946 453 HD2 ARG 55 2HD ARG 55 -2.961 9.602 -10.292 454 HD3 ARG 55 3HD ARG 55 -1.733 8.371 -10.606 455 HE ARG 55 HE ARG 55 -3.600 6.732 -9.953 456 HH11 ARG 55 1HH1 ARG 55 -4.186 9.761 -11.658 457 HH12 ARG 55 2HH1 ARG 55 -5.620 9.175 -12.435 458 HH21 ARG 55 1HH2 ARG 55 -5.501 6.003 -10.968 459 HH22 ARG 55 2HH2 ARG 55 -6.361 7.055 -12.046 460 H VAL 56 H VAL 56 -1.285 7.909 -4.979 461 HA VAL 56 HA VAL 56 1.222 6.459 -5.597 462 HB VAL 56 HB VAL 56 -0.585 6.400 -3.110 463 HG11 VAL 56 1HG1 VAL 56 0.219 4.115 -3.545 464 HG12 VAL 56 2HG1 VAL 56 0.982 4.784 -2.104 465 HG13 VAL 56 3HG1 VAL 56 1.885 4.695 -3.618 466 HG21 VAL 56 3HG2 VAL 56 0.900 8.355 -3.207 467 HG22 VAL 56 1HG2 VAL 56 2.304 7.306 -3.426 468 HG23 VAL 56 2HG2 VAL 56 1.396 7.267 -1.911 469 H LYS 57 H LYS 57 1.022 4.326 -6.247 470 HA LYS 57 HA LYS 57 -1.700 3.226 -6.706 471 HB2 LYS 57 2HB LYS 57 0.770 3.008 -8.497 472 HB3 LYS 57 3HB LYS 57 -0.739 2.137 -8.759 473 HG2 LYS 57 2HG LYS 57 -1.933 4.272 -9.118 474 HG3 LYS 57 3HG LYS 57 -0.442 5.162 -8.797 475 HD2 LYS 57 2HD LYS 57 -0.911 4.979 -11.229 476 HD3 LYS 57 3HD LYS 57 0.615 4.211 -10.785 477 HE2 LYS 57 2HE LYS 57 -0.599 2.820 -12.385 478 HE3 LYS 57 3HE LYS 57 -0.503 1.995 -10.831 479 HZ1 LYS 57 3HZ LYS 57 -2.850 3.379 -12.005 480 HZ2 LYS 57 1HZ LYS 57 -2.795 2.859 -10.399 481 HZ3 LYS 57 2HZ LYS 57 -2.692 1.733 -11.652 482 H ILE 58 H ILE 58 -1.947 1.511 -5.406 483 HA ILE 58 HA ILE 58 0.345 -0.214 -4.679 484 HB ILE 58 HB ILE 58 -2.512 -0.014 -3.598 485 HG12 ILE 58 2HG1 ILE 58 0.156 0.550 -2.233 486 HG13 ILE 58 3HG1 ILE 58 -0.938 1.776 -2.859 487 HG21 ILE 58 1HG2 ILE 58 -0.399 -2.019 -2.753 488 HG22 ILE 58 2HG2 ILE 58 -1.922 -2.379 -3.560 489 HG23 ILE 58 3HG2 ILE 58 -1.926 -1.744 -1.915 490 HD11 ILE 58 3HD1 ILE 58 -1.127 1.595 -0.471 491 HD12 ILE 58 1HD1 ILE 58 -1.509 -0.122 -0.588 492 HD13 ILE 58 2HD1 ILE 58 -2.631 1.082 -1.231 493 H ARG 59 H ARG 59 0.642 -1.786 -6.120 494 HA ARG 59 HA ARG 59 -1.649 -3.088 -7.487 495 HB2 ARG 59 2HB ARG 59 1.296 -2.962 -8.321 496 HB3 ARG 59 3HB ARG 59 0.062 -3.903 -9.149 497 HG2 ARG 59 2HG ARG 59 -1.150 -1.772 -9.677 498 HG3 ARG 59 3HG ARG 59 0.188 -0.878 -8.948 499 HD2 ARG 59 2HD ARG 59 1.750 -1.796 -10.597 500 HD3 ARG 59 3HD ARG 59 0.470 -2.794 -11.290 501 HE ARG 59 HE ARG 59 -0.637 -0.510 -11.783 502 HH11 ARG 59 1HH1 ARG 59 2.830 -1.097 -11.892 503 HH12 ARG 59 2HH1 ARG 59 3.126 0.110 -13.104 504 HH21 ARG 59 1HH2 ARG 59 -0.242 1.017 -13.457 505 HH22 ARG 59 2HH2 ARG 59 1.384 1.310 -13.991 506 H PHE 60 H PHE 60 -1.667 -5.335 -7.509 507 HA PHE 60 HA PHE 60 0.254 -6.896 -6.002 508 HB2 PHE 60 2HB PHE 60 -1.195 -5.927 -4.211 509 HB3 PHE 60 3HB PHE 60 -2.635 -6.564 -5.017 510 HD1 PHE 60 HD2 PHE 60 0.381 -7.450 -3.104 511 HD2 PHE 60 HD1 PHE 60 -3.201 -8.956 -4.875 512 HE1 PHE 60 HE2 PHE 60 0.691 -9.578 -1.923 513 HE2 PHE 60 HE1 PHE 60 -2.880 -11.084 -3.691 514 HZ PHE 60 HZ PHE 60 -0.927 -11.392 -2.210 515 H GLU 61 H GLU 61 0.203 -9.009 -6.686 516 HA GLU 61 HA GLU 61 -1.448 -9.673 -8.976 517 HB2 GLU 61 2HB GLU 61 0.949 -10.247 -8.950 518 HB3 GLU 61 3HB GLU 61 0.710 -11.271 -7.533 519 HG2 GLU 61 2HG GLU 61 -0.682 -12.803 -8.807 520 HG3 GLU 61 3HG GLU 61 -0.639 -11.746 -10.218 521 H LYS 62 H LYS 62 -3.511 -10.185 -8.464 522 HA LYS 62 HA LYS 62 -4.279 -11.629 -6.078 523 HB2 LYS 62 2HB LYS 62 -5.595 -9.800 -7.586 524 HB3 LYS 62 3HB LYS 62 -6.209 -11.235 -8.386 525 HG2 LYS 62 2HG LYS 62 -6.475 -10.630 -5.416 526 HG3 LYS 62 3HG LYS 62 -7.723 -10.338 -6.619 527 HD2 LYS 62 2HD LYS 62 -6.605 -13.066 -5.880 528 HD3 LYS 62 3HD LYS 62 -8.132 -12.401 -5.310 529 HE2 LYS 62 2HE LYS 62 -9.074 -12.446 -7.524 530 HE3 LYS 62 3HE LYS 62 -7.510 -12.837 -8.244 531 HZ1 LYS 62 3HZ LYS 62 -7.565 -14.977 -7.140 532 HZ2 LYS 62 1HZ LYS 62 -8.953 -14.775 -8.085 533 HZ3 LYS 62 2HZ LYS 62 -9.040 -14.604 -6.409 534 H LYS 63 H LYS 63 -3.313 -12.435 -9.297 535 HA LYS 63 HA LYS 63 -4.552 -14.894 -9.769 536 HB2 LYS 63 2HB LYS 63 -3.298 -13.718 -11.520 537 HB3 LYS 63 3HB LYS 63 -1.800 -13.904 -10.617 538 HG2 LYS 63 2HG LYS 63 -2.052 -16.423 -10.891 539 HG3 LYS 63 3HG LYS 63 -3.407 -16.094 -11.972 540 HD2 LYS 63 2HD LYS 63 -1.336 -16.525 -13.237 541 HD3 LYS 63 3HD LYS 63 -1.921 -14.880 -13.508 542 HE2 LYS 63 2HE LYS 63 0.551 -15.000 -13.199 543 HE3 LYS 63 3HE LYS 63 -0.240 -13.982 -11.996 544 HZ1 LYS 63 3HZ LYS 63 0.738 -16.762 -11.598 545 HZ2 LYS 63 1HZ LYS 63 -0.129 -15.881 -10.443 546 HZ3 LYS 63 2HZ LYS 63 1.398 -15.354 -10.941 547 H GLY 64 H GLY 64 -4.519 -16.637 -8.502 548 HA2 GLY 64 2HA GLY 64 -3.218 -18.557 -7.712 549 HA3 GLY 64 3HA GLY 64 -2.083 -17.428 -6.992 550 H LEU 65 H LEU 65 -4.400 -15.705 -6.141 551 HA LEU 65 HA LEU 65 -4.803 -17.037 -3.554 552 HB2 LEU 65 2HB LEU 65 -5.227 -14.120 -4.344 553 HB3 LEU 65 3HB LEU 65 -5.406 -14.783 -2.729 554 HG LEU 65 HG LEU 65 -2.889 -15.433 -2.892 555 HD11 LEU 65 1HD1 LEU 65 -2.551 -15.121 -5.279 556 HD12 LEU 65 2HD1 LEU 65 -1.490 -14.055 -4.363 557 HD13 LEU 65 3HD1 LEU 65 -2.936 -13.403 -5.141 558 HD21 LEU 65 3HD2 LEU 65 -3.698 -13.682 -1.407 559 HD22 LEU 65 1HD2 LEU 65 -3.651 -12.507 -2.722 560 HD23 LEU 65 2HD2 LEU 65 -2.153 -13.222 -2.116 561 H ASP 66 H ASP 66 -6.638 -18.173 -3.414 562 HA ASP 66 HA ASP 66 -8.917 -17.799 -5.097 563 HB2 ASP 66 2HB ASP 66 -8.572 -19.553 -2.634 564 HB3 ASP 66 3HB ASP 66 -9.932 -19.648 -3.743 565 H ASP 67 H ASP 67 -8.997 -17.950 -1.516 566 HA ASP 67 HA ASP 67 -10.766 -15.594 -1.422 567 HB2 ASP 67 2HB ASP 67 -12.354 -17.401 -1.528 568 HB3 ASP 67 3HB ASP 67 -11.453 -18.372 -0.378 569 H ASP 68 H ASP 68 -9.214 -18.098 0.614 570 HA ASP 68 HA ASP 68 -9.163 -16.626 3.005 571 HB2 ASP 68 2HB ASP 68 -8.905 -19.064 2.969 572 HB3 ASP 68 3HB ASP 68 -7.396 -18.932 2.071 573 H ALA 69 H ALA 69 -6.458 -17.277 0.721 574 HA ALA 69 HA ALA 69 -4.604 -15.484 1.906 575 HB1 ALA 69 3HB ALA 69 -4.670 -16.573 -0.929 576 HB2 ALA 69 1HB ALA 69 -3.897 -17.346 0.459 577 HB3 ALA 69 2HB ALA 69 -3.285 -15.806 -0.152 578 H ARG 70 H ARG 70 -7.018 -15.150 -0.649 579 HA ARG 70 HA ARG 70 -6.313 -12.683 -1.770 580 HB2 ARG 70 2HB ARG 70 -7.977 -14.087 -2.857 581 HB3 ARG 70 3HB ARG 70 -9.035 -14.005 -1.452 582 HG2 ARG 70 2HG ARG 70 -9.332 -11.544 -1.871 583 HG3 ARG 70 3HG ARG 70 -8.371 -11.713 -3.343 584 HD2 ARG 70 2HD ARG 70 -10.770 -11.709 -3.848 585 HD3 ARG 70 3HD ARG 70 -10.055 -13.269 -4.261 586 HE ARG 70 HE ARG 70 -11.069 -13.459 -1.654 587 HH11 ARG 70 1HH1 ARG 70 -12.353 -13.004 -4.904 588 HH12 ARG 70 2HH1 ARG 70 -13.870 -13.767 -4.540 589 HH21 ARG 70 1HH2 ARG 70 -13.050 -14.496 -1.208 590 HH22 ARG 70 2HH2 ARG 70 -14.260 -14.607 -2.441 591 H LYS 71 H LYS 71 -8.405 -13.452 0.999 592 HA LYS 71 HA LYS 71 -9.267 -10.746 1.438 593 HB2 LYS 71 2HB LYS 71 -10.651 -12.730 2.063 594 HB3 LYS 71 3HB LYS 71 -9.482 -13.148 3.315 595 HG2 LYS 71 2HG LYS 71 -9.971 -11.032 4.501 596 HG3 LYS 71 3HG LYS 71 -11.093 -10.561 3.221 597 HD2 LYS 71 2HD LYS 71 -12.320 -11.436 5.167 598 HD3 LYS 71 3HD LYS 71 -12.543 -12.496 3.773 599 HE2 LYS 71 2HE LYS 71 -10.791 -14.016 4.691 600 HE3 LYS 71 3HE LYS 71 -10.660 -12.972 6.111 601 HZ1 LYS 71 3HZ LYS 71 -12.089 -14.879 6.516 602 HZ2 LYS 71 1HZ LYS 71 -13.114 -14.412 5.255 603 HZ3 LYS 71 2HZ LYS 71 -12.964 -13.439 6.628 604 H LYS 72 H LYS 72 -6.708 -12.816 2.755 605 HA LYS 72 HA LYS 72 -5.760 -11.177 4.837 606 HB2 LYS 72 2HB LYS 72 -4.122 -12.882 2.911 607 HB3 LYS 72 3HB LYS 72 -3.516 -12.204 4.413 608 HG2 LYS 72 2HG LYS 72 -5.660 -14.316 4.149 609 HG3 LYS 72 3HG LYS 72 -3.981 -14.577 4.618 610 HD2 LYS 72 2HD LYS 72 -4.395 -13.084 6.620 611 HD3 LYS 72 3HD LYS 72 -6.109 -13.072 6.178 612 HE2 LYS 72 2HE LYS 72 -4.436 -15.474 6.978 613 HE3 LYS 72 3HE LYS 72 -5.781 -14.765 7.867 614 HZ1 LYS 72 3HZ LYS 72 -5.910 -16.225 5.293 615 HZ2 LYS 72 1HZ LYS 72 -7.214 -15.376 5.956 616 HZ3 LYS 72 2HZ LYS 72 -6.562 -16.698 6.780 617 H ALA 73 H ALA 73 -4.888 -11.298 1.402 618 HA ALA 73 HA ALA 73 -3.008 -9.199 1.303 619 HB1 ALA 73 3HB ALA 73 -3.256 -9.415 -1.132 620 HB2 ALA 73 1HB ALA 73 -4.739 -10.357 -0.913 621 HB3 ALA 73 2HB ALA 73 -3.190 -11.001 -0.369 622 H LYS 74 H LYS 74 -6.479 -9.310 0.730 623 HA LYS 74 HA LYS 74 -6.781 -6.739 -0.466 624 HB2 LYS 74 2HB LYS 74 -8.406 -8.519 -0.870 625 HB3 LYS 74 3HB LYS 74 -8.793 -8.620 0.844 626 HG2 LYS 74 2HG LYS 74 -9.740 -6.316 0.747 627 HG3 LYS 74 3HG LYS 74 -9.396 -6.264 -0.986 628 HD2 LYS 74 2HD LYS 74 -10.909 -8.193 -1.345 629 HD3 LYS 74 3HD LYS 74 -11.231 -8.262 0.390 630 HE2 LYS 74 2HE LYS 74 -12.240 -5.998 0.277 631 HE3 LYS 74 3HE LYS 74 -11.947 -5.971 -1.466 632 HZ1 LYS 74 3HZ LYS 74 -14.206 -6.631 -0.956 633 HZ2 LYS 74 1HZ LYS 74 -13.658 -7.934 -0.038 634 HZ3 LYS 74 2HZ LYS 74 -13.386 -7.897 -1.704 635 H LYS 75 H LYS 75 -7.600 -8.006 2.765 636 HA LYS 75 HA LYS 75 -8.471 -5.566 3.915 637 HB2 LYS 75 2HB LYS 75 -9.083 -7.835 4.740 638 HB3 LYS 75 3HB LYS 75 -7.434 -8.107 5.266 639 HG2 LYS 75 2HG LYS 75 -8.911 -5.751 6.420 640 HG3 LYS 75 3HG LYS 75 -9.371 -7.366 6.957 641 HD2 LYS 75 2HD LYS 75 -7.008 -7.787 7.639 642 HD3 LYS 75 3HD LYS 75 -6.592 -6.140 7.156 643 HE2 LYS 75 2HE LYS 75 -8.159 -5.252 8.851 644 HE3 LYS 75 3HE LYS 75 -8.577 -6.903 9.326 645 HZ1 LYS 75 3HZ LYS 75 -6.915 -5.796 10.770 646 HZ2 LYS 75 1HZ LYS 75 -5.832 -5.783 9.475 647 HZ3 LYS 75 2HZ LYS 75 -6.362 -7.252 10.100 648 H TRP 76 H TRP 76 -5.351 -7.182 3.739 649 HA TRP 76 HA TRP 76 -3.769 -5.508 5.341 650 HB2 TRP 76 2HB TRP 76 -2.939 -7.644 4.513 651 HB3 TRP 76 3HB TRP 76 -3.122 -7.131 2.844 652 HD1 TRP 76 HD1 TRP 76 -0.902 -6.401 5.936 653 HE1 TRP 76 HE1 TRP 76 1.360 -5.552 5.093 654 HE3 TRP 76 HE3 TRP 76 -1.879 -6.174 0.914 655 HZ2 TRP 76 HZ2 TRP 76 2.597 -4.888 2.702 656 HZ3 TRP 76 HZ3 TRP 76 -0.079 -5.419 -0.590 657 HH2 TRP 76 HH2 TRP 76 2.118 -4.787 0.290 658 H ALA 77 H ALA 77 -4.377 -5.396 1.812 659 HA ALA 77 HA ALA 77 -2.857 -3.085 1.244 660 HB1 ALA 77 3HB ALA 77 -3.462 -4.752 -0.463 661 HB2 ALA 77 1HB ALA 77 -3.949 -3.131 -0.958 662 HB3 ALA 77 2HB ALA 77 -5.156 -4.269 -0.350 663 H LEU 78 H LEU 78 -6.211 -3.489 2.236 664 HA LEU 78 HA LEU 78 -7.152 -0.864 1.714 665 HB2 LEU 78 2HB LEU 78 -8.054 -2.908 3.788 666 HB3 LEU 78 3HB LEU 78 -8.905 -1.402 3.474 667 HG LEU 78 HG LEU 78 -8.572 -3.721 1.531 668 HD11 LEU 78 1HD1 LEU 78 -10.226 -4.166 3.274 669 HD12 LEU 78 2HD1 LEU 78 -11.012 -3.957 1.712 670 HD13 LEU 78 3HD1 LEU 78 -11.059 -2.653 2.904 671 HD21 LEU 78 3HD2 LEU 78 -8.463 -1.633 0.284 672 HD22 LEU 78 1HD2 LEU 78 -9.938 -1.056 1.063 673 HD23 LEU 78 2HD2 LEU 78 -9.994 -2.445 -0.023 674 H GLU 79 H GLU 79 -5.692 -2.383 4.590 675 HA GLU 79 HA GLU 79 -5.779 -0.025 6.223 676 HB2 GLU 79 2HB GLU 79 -4.182 -2.587 6.590 677 HB3 GLU 79 3HB GLU 79 -4.266 -1.282 7.768 678 HG2 GLU 79 2HG GLU 79 -6.791 -1.658 7.820 679 HG3 GLU 79 3HG GLU 79 -6.492 -3.142 6.909 680 H VAL 80 H VAL 80 -3.363 -1.404 4.026 681 HA VAL 80 HA VAL 80 -1.161 0.259 4.722 682 HB VAL 80 HB VAL 80 -1.848 -0.987 1.997 683 HG11 VAL 80 1HG1 VAL 80 0.532 -0.641 1.395 684 HG12 VAL 80 2HG1 VAL 80 0.798 0.216 2.916 685 HG13 VAL 80 3HG1 VAL 80 -0.284 0.895 1.700 686 HG21 VAL 80 3HG2 VAL 80 -1.486 -2.677 3.762 687 HG22 VAL 80 1HG2 VAL 80 0.085 -1.970 4.130 688 HG23 VAL 80 2HG2 VAL 80 -0.200 -2.726 2.560 689 H ALA 81 H ALA 81 -3.639 0.507 2.198 690 HA ALA 81 HA ALA 81 -2.998 2.969 1.069 691 HB1 ALA 81 3HB ALA 81 -4.548 1.339 0.082 692 HB2 ALA 81 1HB ALA 81 -5.297 2.931 0.196 693 HB3 ALA 81 2HB ALA 81 -5.723 1.669 1.355 694 H ASN 82 H ASN 82 -5.209 2.195 3.725 695 HA ASN 82 HA ASN 82 -6.059 4.894 4.203 696 HB2 ASN 82 2HB ASN 82 -6.488 2.295 5.717 697 HB3 ASN 82 3HB ASN 82 -7.027 3.836 6.375 698 HD21 ASN 82 1HD2 ASN 82 -7.145 2.830 2.932 699 HD22 ASN 82 2HD2 ASN 82 -8.866 2.858 2.836 700 H LYS 83 H LYS 83 -3.405 2.906 5.380 701 HA LYS 83 HA LYS 83 -2.873 4.345 7.774 702 HB2 LYS 83 2HB LYS 83 -1.892 2.116 7.415 703 HB3 LYS 83 3HB LYS 83 -0.968 2.703 6.037 704 HG2 LYS 83 2HG LYS 83 0.454 2.437 8.017 705 HG3 LYS 83 3HG LYS 83 0.380 4.127 7.518 706 HD2 LYS 83 2HD LYS 83 -1.287 4.562 9.317 707 HD3 LYS 83 3HD LYS 83 -1.165 2.874 9.823 708 HE2 LYS 83 2HE LYS 83 1.196 3.196 10.395 709 HE3 LYS 83 3HE LYS 83 1.133 4.860 9.809 710 HZ1 LYS 83 3HZ LYS 83 0.945 4.786 12.197 711 HZ2 LYS 83 1HZ LYS 83 -0.398 3.762 12.104 712 HZ3 LYS 83 2HZ LYS 83 -0.505 5.346 11.532 713 H ILE 84 H ILE 84 -1.387 4.583 4.497 714 HA ILE 84 HA ILE 84 0.223 6.845 5.140 715 HB ILE 84 HB ILE 84 -0.656 5.784 2.409 716 HG12 ILE 84 2HG1 ILE 84 1.877 5.235 2.236 717 HG13 ILE 84 3HG1 ILE 84 1.969 5.550 3.962 718 HG21 ILE 84 1HG2 ILE 84 1.056 7.277 1.405 719 HG22 ILE 84 2HG2 ILE 84 1.324 8.020 2.983 720 HG23 ILE 84 3HG2 ILE 84 -0.241 8.187 2.184 721 HD11 ILE 84 3HD1 ILE 84 0.456 3.692 4.379 722 HD12 ILE 84 1HD1 ILE 84 1.861 3.181 3.444 723 HD13 ILE 84 2HD1 ILE 84 0.307 3.412 2.642 724 H ALA 85 H ALA 85 -3.028 6.493 3.701 725 HA ALA 85 HA ALA 85 -3.565 9.189 3.098 726 HB1 ALA 85 3HB ALA 85 -5.537 7.021 3.883 727 HB2 ALA 85 1HB ALA 85 -4.920 7.315 2.258 728 HB3 ALA 85 2HB ALA 85 -5.935 8.526 3.045 729 H ASN 86 H ASN 86 -3.912 7.395 6.134 730 HA ASN 86 HA ASN 86 -5.454 9.405 7.512 731 HB2 ASN 86 2HB ASN 86 -5.606 6.963 8.099 732 HB3 ASN 86 3HB ASN 86 -3.953 7.022 8.704 733 HD21 ASN 86 1HD2 ASN 86 -4.545 6.470 10.814 734 HD22 ASN 86 2HD2 ASN 86 -5.434 7.520 11.857 735 H GLU 87 H GLU 87 -2.075 8.267 7.644 736 HA GLU 87 HA GLU 87 -1.150 9.899 9.718 737 HB2 GLU 87 2HB GLU 87 0.373 8.703 7.366 738 HB3 GLU 87 3HB GLU 87 1.154 9.511 8.722 739 HG2 GLU 87 2HG GLU 87 -0.476 6.969 8.820 740 HG3 GLU 87 3HG GLU 87 1.265 7.123 9.038 741 H LEU 88 H LEU 88 -1.232 10.479 6.225 742 HA LEU 88 HA LEU 88 -0.001 13.086 6.398 743 HB2 LEU 88 2HB LEU 88 -1.499 11.808 4.074 744 HB3 LEU 88 3HB LEU 88 -0.472 13.230 3.990 745 HG LEU 88 HG LEU 88 0.391 10.362 4.472 746 HD11 LEU 88 1HD1 LEU 88 1.089 12.315 2.262 747 HD12 LEU 88 2HD1 LEU 88 -0.011 10.938 2.139 748 HD13 LEU 88 3HD1 LEU 88 1.705 10.668 2.427 749 HD21 LEU 88 3HD2 LEU 88 2.718 11.170 4.667 750 HD22 LEU 88 1HD2 LEU 88 1.704 11.721 5.999 751 HD23 LEU 88 2HD2 LEU 88 2.134 12.835 4.699 752 H GLY 89 H GLY 89 -3.258 11.843 6.532 753 HA2 GLY 89 2HA GLY 89 -5.312 12.835 6.800 754 HA3 GLY 89 3HA GLY 89 -4.482 14.348 7.146 755 H ALA 90 H ALA 90 -4.241 12.391 4.230 756 HA ALA 90 HA ALA 90 -4.998 14.670 2.533 757 HB1 ALA 90 3HB ALA 90 -3.966 13.354 0.727 758 HB2 ALA 90 1HB ALA 90 -3.705 12.016 1.850 759 HB3 ALA 90 2HB ALA 90 -2.860 13.545 2.089 760 H LYS 91 H LYS 91 -5.819 12.994 0.258 761 HA LYS 91 HA LYS 91 -8.598 12.572 0.953 762 HB2 LYS 91 2HB LYS 91 -7.211 11.901 -1.677 763 HB3 LYS 91 3HB LYS 91 -8.932 12.112 -1.418 764 HG2 LYS 91 2HG LYS 91 -6.855 14.296 -1.166 765 HG3 LYS 91 3HG LYS 91 -7.880 14.022 -2.576 766 HD2 LYS 91 2HD LYS 91 -9.896 14.408 -1.121 767 HD3 LYS 91 3HD LYS 91 -8.808 14.810 0.214 768 HE2 LYS 91 2HE LYS 91 -9.617 16.848 -0.870 769 HE3 LYS 91 3HE LYS 91 -7.881 16.685 -1.126 770 HZ1 LYS 91 3HZ LYS 91 -10.001 15.987 -3.090 771 HZ2 LYS 91 1HZ LYS 91 -8.339 15.814 -3.342 772 HZ3 LYS 91 2HZ LYS 91 -9.007 17.351 -3.148 773 H GLN 92 H GLN 92 -9.595 10.462 -0.147 774 HA GLN 92 HA GLN 92 -8.396 8.188 1.265 775 HB2 GLN 92 2HB GLN 92 -11.168 8.584 0.065 776 HB3 GLN 92 3HB GLN 92 -10.646 7.103 0.863 777 HG2 GLN 92 2HG GLN 92 -10.828 9.836 2.162 778 HG3 GLN 92 3HG GLN 92 -11.988 8.526 2.355 779 HE21 GLN 92 1HE2 GLN 92 -8.764 9.632 3.163 780 HE22 GLN 92 2HE2 GLN 92 -8.482 8.491 4.429 781 H SER 93 H SER 93 -8.732 6.021 0.219 782 HA SER 93 HA SER 93 -7.391 6.073 -2.395 783 HB2 SER 93 2HB SER 93 -6.760 3.720 -1.720 784 HB3 SER 93 3HB SER 93 -6.184 4.963 -0.612 785 HG SER 93 HG SER 93 -8.481 3.320 -0.252 786 H THR 94 H THR 94 -8.242 5.114 -4.179 787 HA THR 94 HA THR 94 -10.928 3.933 -4.052 788 HB THR 94 HB THR 94 -10.548 5.708 -5.724 789 HG1 THR 94 HG1 THR 94 -12.075 4.311 -6.374 790 HG21 THR 94 3HG2 THR 94 -9.123 5.410 -7.691 791 HG22 THR 94 1HG2 THR 94 -8.557 3.850 -7.081 792 HG23 THR 94 2HG2 THR 94 -8.143 5.336 -6.225 793 H THR 95 H THR 95 -11.252 1.768 -4.234 794 HA THR 95 HA THR 95 -8.886 0.008 -4.508 795 HB THR 95 HB THR 95 -11.558 -0.499 -3.123 796 HG1 THR 95 HG1 THR 95 -9.355 0.785 -2.319 797 HG21 THR 95 3HG2 THR 95 -10.520 -2.545 -2.217 798 HG22 THR 95 1HG2 THR 95 -9.056 -2.239 -3.154 799 HG23 THR 95 2HG2 THR 95 -10.570 -2.618 -3.979 800 H THR 96 H THR 96 -8.754 -0.713 -6.537 801 HA THR 96 HA THR 96 -11.050 -1.558 -8.123 802 HB THR 96 HB THR 96 -8.058 -1.743 -8.760 803 HG1 THR 96 HG1 THR 96 -9.257 0.426 -8.449 804 HG21 THR 96 3HG2 THR 96 -8.799 -1.965 -11.110 805 HG22 THR 96 1HG2 THR 96 -10.488 -1.920 -10.598 806 HG23 THR 96 2HG2 THR 96 -9.456 -3.276 -10.134 807 H THR 97 H THR 97 -11.891 -3.487 -7.590 808 HA THR 97 HA THR 97 -10.225 -5.698 -6.595 809 HB THR 97 HB THR 97 -12.409 -6.827 -6.176 810 HG1 THR 97 HG1 THR 97 -13.340 -4.908 -7.838 811 HG21 THR 97 3HG2 THR 97 -13.223 -5.346 -4.365 812 HG22 THR 97 1HG2 THR 97 -12.297 -4.001 -5.041 813 HG23 THR 97 2HG2 THR 97 -11.462 -5.410 -4.382 814 H ASP 98 H ASP 98 -9.467 -7.168 -8.009 815 HA ASP 98 HA ASP 98 -10.847 -7.798 -10.520 816 HB2 ASP 98 2HB ASP 98 -9.447 -5.832 -11.083 817 HB3 ASP 98 3HB ASP 98 -8.027 -6.628 -10.421 818 H GLY 99 H GLY 99 -10.071 -9.766 -11.492 819 HA2 GLY 99 2HA GLY 99 -9.378 -11.687 -9.415 820 HA3 GLY 99 3HA GLY 99 -10.003 -12.037 -11.014 821 H ASP 100 H ASP 100 -7.455 -10.007 -11.496 822 HA ASP 100 HA ASP 100 -5.491 -12.215 -11.801 823 HB2 ASP 100 2HB ASP 100 -6.326 -11.576 -14.000 824 HB3 ASP 100 3HB ASP 100 -6.094 -9.865 -13.658 825 H THR 101 H THR 101 -5.796 -8.669 -11.654 826 HA THR 101 HA THR 101 -3.499 -8.507 -9.815 827 HB THR 101 HB THR 101 -3.997 -6.565 -12.132 828 HG1 THR 101 HG1 THR 101 -3.058 -8.808 -12.530 829 HG21 THR 101 3HG2 THR 101 -1.688 -6.712 -10.137 830 HG22 THR 101 1HG2 THR 101 -2.932 -5.462 -10.178 831 HG23 THR 101 2HG2 THR 101 -1.788 -5.610 -11.513 832 H PHE 102 H PHE 102 -4.486 -7.962 -7.990 833 HA PHE 102 HA PHE 102 -6.776 -6.207 -7.769 834 HB2 PHE 102 2HB PHE 102 -6.401 -8.106 -6.212 835 HB3 PHE 102 3HB PHE 102 -4.881 -7.400 -5.683 836 HD1 PHE 102 HD2 PHE 102 -8.579 -6.790 -5.754 837 HD2 PHE 102 HD1 PHE 102 -4.857 -5.892 -3.833 838 HE1 PHE 102 HE2 PHE 102 -9.775 -5.595 -3.968 839 HE2 PHE 102 HE1 PHE 102 -6.070 -4.702 -2.056 840 HZ PHE 102 HZ PHE 102 -8.524 -4.550 -2.123 841 H GLU 103 H GLU 103 -6.709 -3.990 -7.226 842 HA GLU 103 HA GLU 103 -4.093 -2.745 -6.647 843 HB2 GLU 103 2HB GLU 103 -4.304 -2.610 -9.104 844 HB3 GLU 103 3HB GLU 103 -5.887 -1.857 -8.954 845 HG2 GLU 103 2HG GLU 103 -4.901 0.136 -7.939 846 HG3 GLU 103 3HG GLU 103 -3.314 -0.621 -7.908 847 H VAL 104 H VAL 104 -4.202 -0.964 -5.385 848 HA VAL 104 HA VAL 104 -6.774 0.408 -4.901 849 HB VAL 104 HB VAL 104 -4.656 -0.139 -2.735 850 HG11 VAL 104 1HG1 VAL 104 -6.395 0.749 -1.179 851 HG12 VAL 104 2HG1 VAL 104 -7.452 1.085 -2.552 852 HG13 VAL 104 3HG1 VAL 104 -5.919 1.947 -2.384 853 HG21 VAL 104 3HG2 VAL 104 -5.798 -2.256 -3.301 854 HG22 VAL 104 1HG2 VAL 104 -7.368 -1.497 -3.029 855 HG23 VAL 104 2HG2 VAL 104 -6.243 -1.709 -1.683 856 H GLU 105 H GLU 105 -6.375 2.388 -5.860 857 HA GLU 105 HA GLU 105 -3.679 3.573 -5.802 858 HB2 GLU 105 2HB GLU 105 -6.197 4.531 -7.233 859 HB3 GLU 105 3HB GLU 105 -4.598 5.256 -7.372 860 HG2 GLU 105 2HG GLU 105 -3.772 3.062 -8.315 861 HG3 GLU 105 3HG GLU 105 -5.448 2.510 -8.322 862 H VAL 106 H VAL 106 -3.184 4.945 -4.222 863 HA VAL 106 HA VAL 106 -5.301 6.202 -2.597 864 HB VAL 106 HB VAL 106 -2.321 6.318 -1.932 865 HG11 VAL 106 1HG1 VAL 106 -4.793 6.229 -0.161 866 HG12 VAL 106 2HG1 VAL 106 -3.870 7.672 -0.582 867 HG13 VAL 106 3HG1 VAL 106 -3.125 6.406 0.394 868 HG21 VAL 106 3HG2 VAL 106 -2.720 3.944 -2.402 869 HG22 VAL 106 1HG2 VAL 106 -4.098 3.930 -1.300 870 HG23 VAL 106 2HG2 VAL 106 -2.468 4.196 -0.674 871 H ILE 107 H ILE 107 -5.885 8.110 -3.558 872 HA ILE 107 HA ILE 107 -3.913 9.798 -4.917 873 HB ILE 107 HB ILE 107 -6.931 10.188 -4.570 874 HG12 ILE 107 2HG1 ILE 107 -5.332 9.172 -6.976 875 HG13 ILE 107 3HG1 ILE 107 -6.360 8.186 -5.943 876 HG21 ILE 107 1HG2 ILE 107 -4.986 11.707 -6.358 877 HG22 ILE 107 2HG2 ILE 107 -5.771 12.346 -4.912 878 HG23 ILE 107 3HG2 ILE 107 -6.738 11.923 -6.324 879 HD11 ILE 107 3HD1 ILE 107 -7.273 10.402 -7.771 880 HD12 ILE 107 1HD1 ILE 107 -8.316 9.461 -6.699 881 HD13 ILE 107 2HD1 ILE 107 -7.460 8.667 -8.020 882 H LEU 108 H LEU 108 -2.707 11.004 -3.608 883 HA LEU 108 HA LEU 108 -3.785 11.991 -1.029 884 HB2 LEU 108 2HB LEU 108 -0.917 11.517 -1.966 885 HB3 LEU 108 3HB LEU 108 -1.374 12.100 -0.370 886 HG LEU 108 HG LEU 108 -2.223 9.391 -1.466 887 HD11 LEU 108 1HD1 LEU 108 0.067 10.012 0.407 888 HD12 LEU 108 2HD1 LEU 108 0.196 9.432 -1.257 889 HD13 LEU 108 3HD1 LEU 108 -0.520 8.403 -0.021 890 HD21 LEU 108 3HD2 LEU 108 -2.775 8.882 0.880 891 HD22 LEU 108 1HD2 LEU 108 -3.717 10.237 0.261 892 HD23 LEU 108 2HD2 LEU 108 -2.352 10.533 1.340 893 H GLU 109 H GLU 109 -4.591 14.000 -1.442 894 HA GLU 109 HA GLU 109 -2.955 15.899 -3.049 895 HB2 GLU 109 2HB GLU 109 -5.956 15.876 -2.510 896 HB3 GLU 109 3HB GLU 109 -5.095 17.101 -3.442 897 HG2 GLU 109 2HG GLU 109 -4.429 15.401 -5.102 898 HG3 GLU 109 3HG GLU 109 -5.241 14.155 -4.158 899 H LEU 110 H LEU 110 -1.666 16.630 -1.416 900 HA LEU 110 HA LEU 110 -2.832 17.856 0.998 901 HB2 LEU 110 2HB LEU 110 0.107 17.344 0.340 902 HB3 LEU 110 3HB LEU 110 -0.535 17.916 1.867 903 HG LEU 110 HG LEU 110 -1.794 15.604 1.954 904 HD11 LEU 110 1HD1 LEU 110 -1.340 14.874 -0.339 905 HD12 LEU 110 2HD1 LEU 110 -0.672 13.742 0.834 906 HD13 LEU 110 3HD1 LEU 110 0.396 14.867 -0.012 907 HD21 LEU 110 3HD2 LEU 110 1.206 15.733 2.350 908 HD22 LEU 110 1HD2 LEU 110 0.110 14.545 3.064 909 HD23 LEU 110 2HD2 LEU 110 -0.027 16.244 3.507 910 H GLU 111 H GLU 111 -3.552 19.282 -1.098 911 HA GLU 111 HA GLU 111 -1.659 21.344 -1.819 912 HB2 GLU 111 2HB GLU 111 -3.286 20.658 -3.485 913 HB3 GLU 111 3HB GLU 111 -4.628 21.017 -2.409 914 HG2 GLU 111 2HG GLU 111 -4.320 22.703 -4.225 915 HG3 GLU 111 3HG GLU 111 -4.245 23.395 -2.603 916 H HIS 112 H HIS 112 -1.049 22.185 0.116 917 HA HIS 112 HA HIS 112 -2.929 24.094 1.395 918 HB2 HIS 112 2HB HIS 112 -1.602 23.806 3.519 919 HB3 HIS 112 3HB HIS 112 -2.464 22.350 3.040 920 HD1 HIS 112 HD1 HIS 112 1.064 23.787 2.782 921 HD2 HIS 112 HD2 HIS 112 -0.892 20.127 3.010 922 HE1 HIS 112 HE1 HIS 112 2.877 22.060 2.876 923 HE2 HIS 112 HE2 HIS 112 1.668 19.892 3.243 924 H HIS 113 H HIS 113 -0.981 24.214 -0.877 925 HA HIS 113 HA HIS 113 0.461 25.594 -1.850 926 HB2 HIS 113 2HB HIS 113 -0.027 27.419 0.539 927 HB3 HIS 113 3HB HIS 113 0.850 27.896 -0.914 928 HD1 HIS 113 HD1 HIS 113 -2.464 27.913 0.504 929 HD2 HIS 113 HD2 HIS 113 -0.894 27.687 -3.332 930 HE1 HIS 113 HE1 HIS 113 -4.334 28.574 -1.031 931 HE2 HIS 113 HE2 HIS 113 -3.410 28.241 -3.340 932 H HIS 114 H HIS 114 2.276 24.410 -1.904 933 HA HIS 114 HA HIS 114 4.460 25.277 -0.139 934 HB2 HIS 114 2HB HIS 114 3.712 22.966 0.589 935 HB3 HIS 114 3HB HIS 114 4.067 22.368 -1.028 936 HD1 HIS 114 HD1 HIS 114 5.755 23.604 2.104 937 HD2 HIS 114 HD2 HIS 114 6.789 21.876 -1.530 938 HE1 HIS 114 HE1 HIS 114 8.166 22.938 2.331 939 HE2 HIS 114 HE2 HIS 114 8.789 21.962 0.104 940 H HIS 115 H HIS 115 6.483 25.391 -1.270 941 HA HIS 115 HA HIS 115 6.131 25.805 -4.155 942 HB2 HIS 115 2HB HIS 115 8.579 26.497 -2.469 943 HB3 HIS 115 3HB HIS 115 8.186 27.093 -4.077 944 HD1 HIS 115 HD1 HIS 115 8.406 28.407 -0.937 945 HD2 HIS 115 HD2 HIS 115 5.301 28.392 -3.694 946 HE1 HIS 115 HE1 HIS 115 6.919 30.315 -0.281 947 HE2 HIS 115 HE2 HIS 115 5.131 30.370 -2.050 948 H HIS 116 H HIS 116 5.932 23.292 -3.986 949 HA HIS 116 HA HIS 116 6.564 21.306 -4.812 950 HB2 HIS 116 2HB HIS 116 8.970 22.850 -5.857 951 HB3 HIS 116 3HB HIS 116 8.619 21.182 -6.288 952 HD1 HIS 116 HD1 HIS 116 8.017 21.407 -8.712 953 HD2 HIS 116 HD2 HIS 116 6.025 24.193 -6.363 954 HE1 HIS 116 HE1 HIS 116 6.388 22.542 -10.246 955 HE2 HIS 116 HE2 HIS 116 5.072 24.075 -8.757 956 H HIS 117 H HIS 117 9.796 22.507 -3.877 957 HA HIS 117 HA HIS 117 9.812 20.763 -1.514 958 HB2 HIS 117 2HB HIS 117 10.981 19.411 -3.173 959 HB3 HIS 117 3HB HIS 117 11.994 20.774 -3.651 960 HD1 HIS 117 HD1 HIS 117 11.248 19.345 -0.192 961 HD2 HIS 117 HD2 HIS 117 14.480 20.174 -2.662 962 HE1 HIS 117 HE1 HIS 117 13.279 18.872 1.193 963 HE2 HIS 117 HE2 HIS 117 15.216 19.279 -0.354 Start of MODEL 3 1 H1 MET 1 1H MET 1 1.578 -24.430 5.502 2 H2 MET 1 2H MET 1 2.084 -23.151 6.487 3 H3 MET 1 3H MET 1 2.756 -23.345 4.948 4 HA MET 1 HA MET 1 0.717 -22.862 3.894 5 HB2 MET 1 2HB MET 1 -0.746 -23.870 5.654 6 HB3 MET 1 3HB MET 1 -0.422 -22.499 6.704 7 HG2 MET 1 2HG MET 1 -1.565 -21.000 5.156 8 HG3 MET 1 3HG MET 1 -1.807 -22.322 4.011 9 HE1 MET 1 3HE MET 1 -5.448 -21.616 5.299 10 HE2 MET 1 1HE MET 1 -4.398 -21.736 3.887 11 HE3 MET 1 2HE MET 1 -4.182 -20.414 5.036 12 H ALA 2 H ALA 2 1.359 -20.996 2.996 13 HA ALA 2 HA ALA 2 1.673 -18.536 4.579 14 HB1 ALA 2 3HB ALA 2 3.848 -18.024 3.563 15 HB2 ALA 2 1HB ALA 2 3.820 -19.551 2.674 16 HB3 ALA 2 2HB ALA 2 3.940 -19.556 4.431 17 H GLY 3 H GLY 3 2.382 -19.587 1.221 18 HA2 GLY 3 2HA GLY 3 0.230 -18.352 -0.086 19 HA3 GLY 3 3HA GLY 3 1.540 -17.174 -0.000 20 H LYS 4 H LYS 4 2.529 -17.129 -1.950 21 HA LYS 4 HA LYS 4 4.023 -19.342 -2.953 22 HB2 LYS 4 2HB LYS 4 1.586 -19.848 -3.739 23 HB3 LYS 4 3HB LYS 4 1.760 -18.468 -4.812 24 HG2 LYS 4 2HG LYS 4 3.600 -19.576 -5.987 25 HG3 LYS 4 3HG LYS 4 3.545 -20.935 -4.865 26 HD2 LYS 4 2HD LYS 4 1.288 -20.126 -6.739 27 HD3 LYS 4 3HD LYS 4 2.461 -21.402 -7.069 28 HE2 LYS 4 2HE LYS 4 0.453 -21.376 -4.783 29 HE3 LYS 4 3HE LYS 4 0.361 -22.363 -6.242 30 HZ1 LYS 4 3HZ LYS 4 2.464 -23.420 -5.562 31 HZ2 LYS 4 1HZ LYS 4 1.216 -23.673 -4.447 32 HZ3 LYS 4 2HZ LYS 4 2.427 -22.543 -4.117 33 H GLU 5 H GLU 5 4.515 -18.389 -5.572 34 HA GLU 5 HA GLU 5 5.898 -15.983 -5.404 35 HB2 GLU 5 2HB GLU 5 4.775 -17.592 -7.703 36 HB3 GLU 5 3HB GLU 5 5.604 -16.072 -8.012 37 HG2 GLU 5 2HG GLU 5 6.782 -18.518 -6.648 38 HG3 GLU 5 3HG GLU 5 7.136 -17.957 -8.285 39 H LEU 6 H LEU 6 4.526 -14.565 -4.285 40 HA LEU 6 HA LEU 6 2.646 -13.057 -6.006 41 HB2 LEU 6 2HB LEU 6 2.880 -13.129 -2.963 42 HB3 LEU 6 3HB LEU 6 1.767 -12.104 -3.859 43 HG LEU 6 HG LEU 6 1.678 -15.156 -3.836 44 HD11 LEU 6 1HD1 LEU 6 1.079 -14.280 -1.639 45 HD12 LEU 6 2HD1 LEU 6 -0.338 -14.938 -2.452 46 HD13 LEU 6 3HD1 LEU 6 -0.104 -13.189 -2.370 47 HD21 LEU 6 3HD2 LEU 6 -0.270 -13.147 -5.025 48 HD22 LEU 6 1HD2 LEU 6 -0.510 -14.897 -4.949 49 HD23 LEU 6 2HD2 LEU 6 0.796 -14.230 -5.926 50 H ARG 7 H ARG 7 4.213 -11.909 -7.049 51 HA ARG 7 HA ARG 7 6.097 -10.231 -5.584 52 HB2 ARG 7 2HB ARG 7 5.482 -10.440 -8.577 53 HB3 ARG 7 3HB ARG 7 6.612 -9.278 -7.895 54 HG2 ARG 7 2HG ARG 7 7.891 -11.089 -8.788 55 HG3 ARG 7 3HG ARG 7 7.986 -11.197 -7.031 56 HD2 ARG 7 2HD ARG 7 7.706 -13.409 -8.172 57 HD3 ARG 7 3HD ARG 7 6.424 -13.057 -7.010 58 HE ARG 7 HE ARG 7 5.192 -12.230 -9.141 59 HH11 ARG 7 1HH1 ARG 7 7.314 -15.037 -9.079 60 HH12 ARG 7 2HH1 ARG 7 6.461 -15.836 -10.360 61 HH21 ARG 7 1HH2 ARG 7 4.058 -13.308 -10.727 62 HH22 ARG 7 2HH2 ARG 7 4.605 -14.854 -11.300 63 H VAL 8 H VAL 8 5.528 -8.262 -4.890 64 HA VAL 8 HA VAL 8 2.900 -7.173 -5.677 65 HB VAL 8 HB VAL 8 2.800 -6.016 -3.606 66 HG11 VAL 8 1HG1 VAL 8 3.271 -7.680 -1.833 67 HG12 VAL 8 2HG1 VAL 8 4.289 -8.587 -2.956 68 HG13 VAL 8 3HG1 VAL 8 2.559 -8.445 -3.257 69 HG21 VAL 8 3HG2 VAL 8 5.773 -6.479 -3.195 70 HG22 VAL 8 1HG2 VAL 8 4.687 -5.644 -2.086 71 HG23 VAL 8 2HG2 VAL 8 5.020 -4.953 -3.668 72 H GLU 9 H GLU 9 2.798 -5.157 -6.661 73 HA GLU 9 HA GLU 9 5.347 -3.718 -7.119 74 HB2 GLU 9 2HB GLU 9 2.895 -3.890 -8.920 75 HB3 GLU 9 3HB GLU 9 4.260 -2.807 -9.203 76 HG2 GLU 9 2HG GLU 9 5.779 -4.717 -9.422 77 HG3 GLU 9 3HG GLU 9 4.474 -5.833 -9.054 78 H ILE 10 H ILE 10 5.237 -2.467 -5.299 79 HA ILE 10 HA ILE 10 2.908 -0.745 -4.814 80 HB ILE 10 HB ILE 10 5.556 -0.839 -3.279 81 HG12 ILE 10 2HG1 ILE 10 4.483 -3.067 -3.138 82 HG13 ILE 10 3HG1 ILE 10 4.422 -2.255 -1.580 83 HG21 ILE 10 1HG2 ILE 10 4.290 0.270 -1.456 84 HG22 ILE 10 2HG2 ILE 10 2.860 0.311 -2.487 85 HG23 ILE 10 3HG2 ILE 10 4.290 1.242 -2.933 86 HD11 ILE 10 3HD1 ILE 10 2.056 -1.683 -1.999 87 HD12 ILE 10 1HD1 ILE 10 2.366 -3.418 -2.016 88 HD13 ILE 10 2HD1 ILE 10 2.141 -2.556 -3.535 89 H LYS 11 H LYS 11 2.965 1.396 -5.545 90 HA LYS 11 HA LYS 11 5.490 2.463 -6.654 91 HB2 LYS 11 2HB LYS 11 3.301 1.491 -8.208 92 HB3 LYS 11 3HB LYS 11 3.172 3.232 -8.302 93 HG2 LYS 11 2HG LYS 11 5.834 1.924 -8.861 94 HG3 LYS 11 3HG LYS 11 4.571 1.856 -10.083 95 HD2 LYS 11 2HD LYS 11 5.981 3.734 -10.620 96 HD3 LYS 11 3HD LYS 11 4.456 4.382 -10.025 97 HE2 LYS 11 2HE LYS 11 5.596 4.723 -7.780 98 HE3 LYS 11 3HE LYS 11 7.108 4.249 -8.552 99 HZ1 LYS 11 3HZ LYS 11 5.423 6.528 -9.413 100 HZ2 LYS 11 1HZ LYS 11 6.941 6.106 -10.022 101 HZ3 LYS 11 2HZ LYS 11 6.794 6.663 -8.426 102 H ILE 12 H ILE 12 5.917 4.281 -5.572 103 HA ILE 12 HA ILE 12 3.714 5.936 -4.482 104 HB ILE 12 HB ILE 12 6.682 6.112 -3.786 105 HG12 ILE 12 2HG1 ILE 12 5.933 3.848 -3.156 106 HG13 ILE 12 3HG1 ILE 12 6.182 4.808 -1.704 107 HG21 ILE 12 1HG2 ILE 12 5.896 7.310 -1.753 108 HG22 ILE 12 2HG2 ILE 12 4.234 7.191 -2.336 109 HG23 ILE 12 3HG2 ILE 12 5.417 8.141 -3.237 110 HD11 ILE 12 3HD1 ILE 12 3.522 4.144 -2.967 111 HD12 ILE 12 1HD1 ILE 12 3.752 5.116 -1.508 112 HD13 ILE 12 2HD1 ILE 12 4.216 3.416 -1.521 113 H ASP 13 H ASP 13 3.237 7.772 -5.709 114 HA ASP 13 HA ASP 13 5.445 9.087 -7.194 115 HB2 ASP 13 2HB ASP 13 3.533 8.472 -8.616 116 HB3 ASP 13 3HB ASP 13 2.441 9.369 -7.573 117 H CYS 14 H CYS 14 6.339 10.604 -5.989 118 HA CYS 14 HA CYS 14 4.739 12.250 -4.132 119 HB2 CYS 14 2HB CYS 14 6.990 12.716 -3.072 120 HB3 CYS 14 3HB CYS 14 6.482 11.031 -3.004 121 HG CYS 14 HG CYS 14 8.704 12.208 -5.342 122 H GLY 15 H GLY 15 3.996 13.916 -5.360 123 HA2 GLY 15 2HA GLY 15 4.035 15.988 -6.344 124 HA3 GLY 15 3HA GLY 15 5.792 15.964 -6.331 125 H ASN 16 H ASN 16 6.707 14.260 -7.876 126 HA ASN 16 HA ASN 16 5.333 13.305 -10.159 127 HB2 ASN 16 2HB ASN 16 5.444 15.662 -10.934 128 HB3 ASN 16 3HB ASN 16 7.168 15.724 -10.600 129 HD21 ASN 16 1HD2 ASN 16 8.618 14.713 -12.056 130 HD22 ASN 16 2HD2 ASN 16 8.119 14.177 -13.625 131 H ASP 17 H ASP 17 6.328 11.481 -9.265 132 HA ASP 17 HA ASP 17 9.146 11.295 -8.767 133 HB2 ASP 17 2HB ASP 17 7.444 9.943 -7.533 134 HB3 ASP 17 3HB ASP 17 7.084 9.057 -9.010 135 H ASP 18 H ASP 18 7.032 9.729 -11.204 136 HA ASP 18 HA ASP 18 7.270 9.224 -13.387 137 HB2 ASP 18 2HB ASP 18 7.887 11.614 -13.592 138 HB3 ASP 18 3HB ASP 18 9.571 11.220 -13.287 139 H LYS 19 H LYS 19 9.033 7.839 -11.221 140 HA LYS 19 HA LYS 19 10.250 5.985 -13.172 141 HB2 LYS 19 2HB LYS 19 11.573 6.910 -10.574 142 HB3 LYS 19 3HB LYS 19 12.070 5.462 -11.447 143 HG2 LYS 19 2HG LYS 19 12.511 6.991 -13.453 144 HG3 LYS 19 3HG LYS 19 12.311 8.350 -12.341 145 HD2 LYS 19 2HD LYS 19 14.184 7.534 -10.976 146 HD3 LYS 19 3HD LYS 19 14.347 6.109 -12.004 147 HE2 LYS 19 2HE LYS 19 16.064 7.757 -12.565 148 HE3 LYS 19 3HE LYS 19 14.941 7.573 -13.912 149 HZ1 LYS 19 3HZ LYS 19 15.457 9.883 -13.515 150 HZ2 LYS 19 1HZ LYS 19 14.927 9.771 -11.915 151 HZ3 LYS 19 2HZ LYS 19 13.821 9.603 -13.189 152 H GLU 20 H GLU 20 9.820 3.829 -12.717 153 HA GLU 20 HA GLU 20 7.888 3.163 -10.739 154 HB2 GLU 20 2HB GLU 20 9.565 1.548 -12.675 155 HB3 GLU 20 3HB GLU 20 8.779 0.700 -11.351 156 HG2 GLU 20 2HG GLU 20 7.443 0.626 -13.431 157 HG3 GLU 20 3HG GLU 20 6.585 1.424 -12.115 158 H THR 21 H THR 21 8.222 3.020 -8.659 159 HA THR 21 HA THR 21 10.865 2.303 -7.523 160 HB THR 21 HB THR 21 8.865 4.376 -6.478 161 HG1 THR 21 HG1 THR 21 9.858 5.471 -8.022 162 HG21 THR 21 3HG2 THR 21 11.639 3.654 -5.447 163 HG22 THR 21 1HG2 THR 21 10.112 3.289 -4.635 164 HG23 THR 21 2HG2 THR 21 10.627 4.965 -4.838 165 H THR 22 H THR 22 10.542 0.294 -6.668 166 HA THR 22 HA THR 22 7.929 -0.419 -5.514 167 HB THR 22 HB THR 22 9.324 -1.904 -7.786 168 HG1 THR 22 HG1 THR 22 6.996 -0.305 -7.580 169 HG21 THR 22 3HG2 THR 22 7.420 -3.461 -7.729 170 HG22 THR 22 1HG2 THR 22 6.779 -2.637 -6.306 171 HG23 THR 22 2HG2 THR 22 8.311 -3.512 -6.206 172 H TYR 23 H TYR 23 8.067 -1.671 -3.785 173 HA TYR 23 HA TYR 23 10.610 -3.001 -3.064 174 HB2 TYR 23 2HB TYR 23 8.351 -2.084 -1.224 175 HB3 TYR 23 3HB TYR 23 9.895 -2.762 -0.715 176 HD1 TYR 23 HD1 TYR 23 8.216 0.264 -2.073 177 HD2 TYR 23 HD2 TYR 23 11.934 -1.365 -0.708 178 HE1 TYR 23 HE1 TYR 23 9.181 2.528 -1.990 179 HE2 TYR 23 HE2 TYR 23 12.890 0.898 -0.625 180 HH TYR 23 HH TYR 23 12.580 3.061 -1.436 181 H ASP 24 H ASP 24 10.539 -5.205 -3.053 182 HA ASP 24 HA ASP 24 8.008 -6.608 -3.506 183 HB2 ASP 24 2HB ASP 24 10.904 -7.573 -3.493 184 HB3 ASP 24 3HB ASP 24 9.528 -8.644 -3.754 185 H LEU 25 H LEU 25 6.871 -7.429 -1.914 186 HA LEU 25 HA LEU 25 7.920 -7.377 0.834 187 HB2 LEU 25 2HB LEU 25 5.042 -7.417 -0.126 188 HB3 LEU 25 3HB LEU 25 5.594 -7.095 1.510 189 HG LEU 25 HG LEU 25 5.991 -5.310 -0.914 190 HD11 LEU 25 1HD1 LEU 25 4.522 -3.770 0.228 191 HD12 LEU 25 2HD1 LEU 25 4.310 -4.920 1.553 192 HD13 LEU 25 3HD1 LEU 25 3.728 -5.316 -0.070 193 HD21 LEU 25 3HD2 LEU 25 6.910 -4.817 1.942 194 HD22 LEU 25 1HD2 LEU 25 6.990 -3.662 0.608 195 HD23 LEU 25 2HD2 LEU 25 7.954 -5.133 0.553 196 H TYR 26 H TYR 26 5.604 -9.276 -1.136 197 HA TYR 26 HA TYR 26 4.773 -11.363 -1.045 198 HB2 TYR 26 2HB TYR 26 7.420 -11.953 0.304 199 HB3 TYR 26 3HB TYR 26 6.203 -13.202 0.146 200 HD1 TYR 26 HD2 TYR 26 7.956 -10.665 -2.060 201 HD2 TYR 26 HD1 TYR 26 6.382 -14.632 -1.694 202 HE1 TYR 26 HE2 TYR 26 8.805 -11.212 -4.302 203 HE2 TYR 26 HE1 TYR 26 7.233 -15.173 -3.935 204 HH TYR 26 HH TYR 26 8.041 -14.224 -5.895 205 H PHE 27 H PHE 27 3.220 -12.364 0.193 206 HA PHE 27 HA PHE 27 3.049 -11.630 3.056 207 HB2 PHE 27 2HB PHE 27 0.731 -11.950 1.099 208 HB3 PHE 27 3HB PHE 27 0.597 -11.505 2.802 209 HD1 PHE 27 HD1 PHE 27 2.224 -9.398 3.441 210 HD2 PHE 27 HD2 PHE 27 0.531 -10.160 -0.427 211 HE1 PHE 27 HE1 PHE 27 2.486 -7.032 2.846 212 HE2 PHE 27 HE2 PHE 27 0.798 -7.783 -1.002 213 HZ PHE 27 HZ PHE 27 1.777 -6.225 0.632 214 H SER 28 H SER 28 2.206 -13.150 4.448 215 HA SER 28 HA SER 28 1.994 -15.941 3.519 216 HB2 SER 28 2HB SER 28 3.412 -16.601 5.503 217 HB3 SER 28 3HB SER 28 4.295 -15.659 4.302 218 HG SER 28 HG SER 28 4.793 -14.742 6.217 219 H LYS 29 H LYS 29 1.844 -14.006 6.496 220 HA LYS 29 HA LYS 29 -0.876 -14.945 7.155 221 HB2 LYS 29 2HB LYS 29 1.574 -15.053 8.982 222 HB3 LYS 29 3HB LYS 29 -0.075 -15.273 9.553 223 HG2 LYS 29 2HG LYS 29 -0.270 -17.418 8.638 224 HG3 LYS 29 3HG LYS 29 0.893 -17.095 7.353 225 HD2 LYS 29 2HD LYS 29 1.605 -17.514 10.289 226 HD3 LYS 29 3HD LYS 29 1.775 -18.724 9.012 227 HE2 LYS 29 2HE LYS 29 3.371 -17.198 7.827 228 HE3 LYS 29 3HE LYS 29 3.247 -16.062 9.169 229 HZ1 LYS 29 3HZ LYS 29 4.148 -17.776 10.626 230 HZ2 LYS 29 1HZ LYS 29 5.209 -17.400 9.364 231 HZ3 LYS 29 2HZ LYS 29 4.308 -18.831 9.315 232 H ALA 30 H ALA 30 -1.480 -13.571 9.301 233 HA ALA 30 HA ALA 30 -1.750 -10.931 8.304 234 HB1 ALA 30 3HB ALA 30 -3.107 -10.529 10.299 235 HB2 ALA 30 1HB ALA 30 -2.508 -12.026 11.029 236 HB3 ALA 30 2HB ALA 30 -3.514 -12.088 9.581 237 H GLU 31 H GLU 31 0.255 -12.284 10.931 238 HA GLU 31 HA GLU 31 1.070 -9.836 12.126 239 HB2 GLU 31 2HB GLU 31 2.407 -12.577 12.118 240 HB3 GLU 31 3HB GLU 31 2.931 -11.232 13.132 241 HG2 GLU 31 2HG GLU 31 0.756 -11.222 14.273 242 HG3 GLU 31 3HG GLU 31 0.198 -12.540 13.240 243 H GLU 32 H GLU 32 2.620 -11.982 9.752 244 HA GLU 32 HA GLU 32 4.927 -10.358 9.337 245 HB2 GLU 32 2HB GLU 32 3.812 -12.673 7.705 246 HB3 GLU 32 3HB GLU 32 5.347 -11.874 7.362 247 HG2 GLU 32 2HG GLU 32 6.128 -12.480 9.654 248 HG3 GLU 32 3HG GLU 32 4.628 -13.382 9.893 249 H ALA 33 H ALA 33 1.793 -10.640 7.666 250 HA ALA 33 HA ALA 33 2.326 -8.946 5.467 251 HB1 ALA 33 3HB ALA 33 0.298 -10.355 5.583 252 HB2 ALA 33 1HB ALA 33 -0.123 -8.664 5.307 253 HB3 ALA 33 2HB ALA 33 -0.320 -9.373 6.913 254 H LYS 34 H LYS 34 1.029 -8.286 8.721 255 HA LYS 34 HA LYS 34 0.739 -5.495 8.438 256 HB2 LYS 34 2HB LYS 34 -0.402 -6.907 10.181 257 HB3 LYS 34 3HB LYS 34 1.135 -7.031 11.033 258 HG2 LYS 34 2HG LYS 34 1.133 -4.493 11.198 259 HG3 LYS 34 3HG LYS 34 -0.508 -4.522 10.545 260 HD2 LYS 34 2HD LYS 34 -1.248 -5.884 12.480 261 HD3 LYS 34 3HD LYS 34 0.397 -5.866 13.123 262 HE2 LYS 34 2HE LYS 34 0.250 -3.370 13.279 263 HE3 LYS 34 3HE LYS 34 -1.434 -3.467 12.764 264 HZ1 LYS 34 3HZ LYS 34 -1.451 -3.345 15.096 265 HZ2 LYS 34 1HZ LYS 34 -0.231 -4.509 15.261 266 HZ3 LYS 34 2HZ LYS 34 -1.768 -4.966 14.732 267 H GLU 35 H GLU 35 3.508 -7.480 9.330 268 HA GLU 35 HA GLU 35 5.262 -5.486 10.265 269 HB2 GLU 35 2HB GLU 35 5.762 -7.879 10.488 270 HB3 GLU 35 3HB GLU 35 5.824 -8.061 8.743 271 HG2 GLU 35 2HG GLU 35 8.071 -8.071 9.660 272 HG3 GLU 35 3HG GLU 35 7.835 -6.651 8.646 273 H LEU 36 H LEU 36 4.608 -6.689 6.940 274 HA LEU 36 HA LEU 36 6.302 -4.807 5.619 275 HB2 LEU 36 2HB LEU 36 4.073 -6.587 4.598 276 HB3 LEU 36 3HB LEU 36 4.865 -5.428 3.548 277 HG LEU 36 HG LEU 36 5.959 -7.429 3.059 278 HD11 LEU 36 1HD1 LEU 36 7.814 -6.169 5.102 279 HD12 LEU 36 2HD1 LEU 36 7.590 -5.644 3.431 280 HD13 LEU 36 3HD1 LEU 36 8.266 -7.233 3.767 281 HD21 LEU 36 3HD2 LEU 36 6.813 -9.091 4.615 282 HD22 LEU 36 1HD2 LEU 36 5.085 -8.837 4.847 283 HD23 LEU 36 2HD2 LEU 36 6.238 -8.142 5.988 284 H LEU 37 H LEU 37 2.927 -4.718 6.648 285 HA LEU 37 HA LEU 37 2.040 -2.397 5.359 286 HB2 LEU 37 2HB LEU 37 0.444 -3.736 6.484 287 HB3 LEU 37 3HB LEU 37 1.334 -3.713 7.980 288 HG LEU 37 HG LEU 37 0.091 -1.110 7.058 289 HD11 LEU 37 1HD1 LEU 37 -1.733 -2.745 6.753 290 HD12 LEU 37 2HD1 LEU 37 -2.053 -1.676 8.118 291 HD13 LEU 37 3HD1 LEU 37 -1.493 -3.326 8.406 292 HD21 LEU 37 3HD2 LEU 37 0.443 -2.359 9.820 293 HD22 LEU 37 1HD2 LEU 37 -0.188 -0.738 9.500 294 HD23 LEU 37 2HD2 LEU 37 1.491 -1.126 9.122 295 H LYS 38 H LYS 38 3.709 -2.790 8.446 296 HA LYS 38 HA LYS 38 3.879 -0.139 9.301 297 HB2 LYS 38 2HB LYS 38 4.350 -1.947 10.828 298 HB3 LYS 38 3HB LYS 38 5.605 -2.598 9.777 299 HG2 LYS 38 2HG LYS 38 6.978 -0.573 10.220 300 HG3 LYS 38 3HG LYS 38 5.749 -0.010 11.354 301 HD2 LYS 38 2HD LYS 38 6.190 -1.821 12.866 302 HD3 LYS 38 3HD LYS 38 7.159 -2.686 11.662 303 HE2 LYS 38 2HE LYS 38 8.586 -1.587 13.359 304 HE3 LYS 38 3HE LYS 38 8.867 -0.933 11.747 305 HZ1 LYS 38 3HZ LYS 38 8.756 0.792 13.442 306 HZ2 LYS 38 1HZ LYS 38 7.177 0.336 13.834 307 HZ3 LYS 38 2HZ LYS 38 7.521 0.978 12.302 308 H LYS 39 H LYS 39 6.167 -2.119 7.434 309 HA LYS 39 HA LYS 39 8.230 -0.244 7.196 310 HB2 LYS 39 2HB LYS 39 7.547 -2.648 5.457 311 HB3 LYS 39 3HB LYS 39 9.056 -1.741 5.352 312 HG2 LYS 39 2HG LYS 39 9.597 -2.331 7.675 313 HG3 LYS 39 3HG LYS 39 8.083 -3.233 7.810 314 HD2 LYS 39 2HD LYS 39 8.847 -4.780 6.033 315 HD3 LYS 39 3HD LYS 39 10.349 -3.867 5.873 316 HE2 LYS 39 2HE LYS 39 10.940 -4.465 8.200 317 HE3 LYS 39 3HE LYS 39 9.441 -5.382 8.341 318 HZ1 LYS 39 3HZ LYS 39 11.686 -5.971 6.484 319 HZ2 LYS 39 1HZ LYS 39 10.240 -6.844 6.569 320 HZ3 LYS 39 2HZ LYS 39 11.294 -6.826 7.890 321 H VAL 40 H VAL 40 5.711 -1.142 4.783 322 HA VAL 40 HA VAL 40 6.521 0.622 2.737 323 HB VAL 40 HB VAL 40 3.803 -0.665 3.273 324 HG11 VAL 40 1HG1 VAL 40 4.698 0.759 0.735 325 HG12 VAL 40 2HG1 VAL 40 3.420 1.300 1.826 326 HG13 VAL 40 3HG1 VAL 40 3.219 -0.190 0.901 327 HG21 VAL 40 3HG2 VAL 40 6.028 -1.407 1.349 328 HG22 VAL 40 1HG2 VAL 40 4.482 -2.248 1.497 329 HG23 VAL 40 2HG2 VAL 40 5.626 -2.257 2.842 330 H ALA 41 H ALA 41 4.228 1.022 5.417 331 HA ALA 41 HA ALA 41 3.034 3.449 4.687 332 HB1 ALA 41 3HB ALA 41 3.601 2.413 7.484 333 HB2 ALA 41 1HB ALA 41 2.181 2.032 6.507 334 HB3 ALA 41 2HB ALA 41 2.449 3.685 7.066 335 H GLU 42 H GLU 42 5.965 2.795 6.610 336 HA GLU 42 HA GLU 42 6.512 5.540 7.232 337 HB2 GLU 42 2HB GLU 42 8.168 3.014 7.585 338 HB3 GLU 42 3HB GLU 42 8.687 4.604 8.146 339 HG2 GLU 42 2HG GLU 42 6.668 4.733 9.593 340 HG3 GLU 42 3HG GLU 42 6.205 3.114 9.064 341 H LYS 43 H LYS 43 7.829 3.218 4.825 342 HA LYS 43 HA LYS 43 9.985 4.916 3.989 343 HB2 LYS 43 2HB LYS 43 8.771 2.595 2.428 344 HB3 LYS 43 3HB LYS 43 10.327 3.357 2.103 345 HG2 LYS 43 2HG LYS 43 9.555 1.676 4.495 346 HG3 LYS 43 3HG LYS 43 10.719 1.270 3.241 347 HD2 LYS 43 2HD LYS 43 12.256 3.025 4.077 348 HD3 LYS 43 3HD LYS 43 11.056 3.524 5.275 349 HE2 LYS 43 2HE LYS 43 11.208 1.259 6.318 350 HE3 LYS 43 3HE LYS 43 12.475 0.837 5.165 351 HZ1 LYS 43 3HZ LYS 43 13.809 2.663 6.064 352 HZ2 LYS 43 1HZ LYS 43 13.417 1.522 7.253 353 HZ3 LYS 43 2HZ LYS 43 12.596 2.998 7.192 354 H ALA 44 H ALA 44 6.709 4.361 2.845 355 HA ALA 44 HA ALA 44 6.770 6.126 0.610 356 HB1 ALA 44 3HB ALA 44 5.054 4.386 0.845 357 HB2 ALA 44 1HB ALA 44 4.316 5.980 0.686 358 HB3 ALA 44 2HB ALA 44 4.402 5.198 2.269 359 H ALA 45 H ALA 45 6.031 6.493 4.064 360 HA ALA 45 HA ALA 45 5.058 9.137 4.014 361 HB1 ALA 45 3HB ALA 45 6.489 7.693 6.266 362 HB2 ALA 45 1HB ALA 45 4.754 7.661 5.946 363 HB3 ALA 45 2HB ALA 45 5.533 9.170 6.428 364 H ASP 46 H ASP 46 8.337 7.796 4.103 365 HA ASP 46 HA ASP 46 9.803 10.178 4.601 366 HB2 ASP 46 2HB ASP 46 10.618 7.649 3.100 367 HB3 ASP 46 3HB ASP 46 11.739 8.944 3.507 368 H LYS 47 H LYS 47 8.575 8.657 1.628 369 HA LYS 47 HA LYS 47 9.792 10.376 -0.278 370 HB2 LYS 47 2HB LYS 47 7.140 8.890 -0.597 371 HB3 LYS 47 3HB LYS 47 8.140 9.520 -1.907 372 HG2 LYS 47 2HG LYS 47 8.837 7.271 -0.004 373 HG3 LYS 47 3HG LYS 47 8.431 7.102 -1.711 374 HD2 LYS 47 2HD LYS 47 10.522 8.278 -2.334 375 HD3 LYS 47 3HD LYS 47 10.895 8.553 -0.629 376 HE2 LYS 47 2HE LYS 47 11.015 6.078 -0.300 377 HE3 LYS 47 3HE LYS 47 10.760 5.859 -2.036 378 HZ1 LYS 47 3HZ LYS 47 13.100 5.781 -1.462 379 HZ2 LYS 47 1HZ LYS 47 13.009 7.327 -0.780 380 HZ3 LYS 47 2HZ LYS 47 12.778 7.124 -2.439 381 H ILE 48 H ILE 48 6.730 10.497 1.466 382 HA ILE 48 HA ILE 48 5.686 12.858 0.227 383 HB ILE 48 HB ILE 48 4.927 11.698 2.950 384 HG12 ILE 48 2HG1 ILE 48 3.381 11.128 0.406 385 HG13 ILE 48 3HG1 ILE 48 4.773 10.133 0.808 386 HG21 ILE 48 1HG2 ILE 48 2.735 12.823 2.541 387 HG22 ILE 48 2HG2 ILE 48 3.377 13.512 1.051 388 HG23 ILE 48 3HG2 ILE 48 4.064 13.984 2.606 389 HD11 ILE 48 3HD1 ILE 48 2.692 9.114 1.496 390 HD12 ILE 48 1HD1 ILE 48 2.320 10.505 2.512 391 HD13 ILE 48 2HD1 ILE 48 3.705 9.480 2.889 392 H LYS 49 H LYS 49 7.726 12.192 3.009 393 HA LYS 49 HA LYS 49 7.533 14.671 4.360 394 HB2 LYS 49 2HB LYS 49 8.371 12.630 5.448 395 HB3 LYS 49 3HB LYS 49 9.755 12.593 4.362 396 HG2 LYS 49 2HG LYS 49 10.523 14.766 5.345 397 HG3 LYS 49 3HG LYS 49 9.185 14.677 6.495 398 HD2 LYS 49 2HD LYS 49 10.101 12.615 7.456 399 HD3 LYS 49 3HD LYS 49 11.380 12.577 6.239 400 HE2 LYS 49 2HE LYS 49 12.281 14.699 7.162 401 HE3 LYS 49 3HE LYS 49 11.026 14.684 8.399 402 HZ1 LYS 49 3HZ LYS 49 11.935 12.598 9.224 403 HZ2 LYS 49 1HZ LYS 49 13.103 13.823 9.250 404 HZ3 LYS 49 2HZ LYS 49 13.146 12.634 8.046 405 H LYS 50 H LYS 50 9.874 13.455 1.960 406 HA LYS 50 HA LYS 50 11.501 15.825 1.955 407 HB2 LYS 50 2HB LYS 50 12.687 14.763 0.074 408 HB3 LYS 50 3HB LYS 50 12.474 13.652 1.418 409 HG2 LYS 50 2HG LYS 50 10.674 12.497 0.249 410 HG3 LYS 50 3HG LYS 50 10.742 13.658 -1.080 411 HD2 LYS 50 2HD LYS 50 12.999 11.779 -0.274 412 HD3 LYS 50 3HD LYS 50 11.880 11.506 -1.610 413 HE2 LYS 50 2HE LYS 50 12.731 13.533 -2.748 414 HE3 LYS 50 3HE LYS 50 13.833 13.836 -1.402 415 HZ1 LYS 50 3HZ LYS 50 15.015 12.761 -3.166 416 HZ2 LYS 50 1HZ LYS 50 13.884 11.504 -3.241 417 HZ3 LYS 50 2HZ LYS 50 14.870 11.674 -1.879 418 H GLN 51 H GLN 51 8.741 14.686 0.147 419 HA GLN 51 HA GLN 51 8.103 17.269 -0.893 420 HB2 GLN 51 2HB GLN 51 8.108 16.605 -3.329 421 HB3 GLN 51 3HB GLN 51 9.719 16.735 -2.635 422 HG2 GLN 51 2HG GLN 51 9.724 14.225 -2.370 423 HG3 GLN 51 3HG GLN 51 8.206 14.183 -3.261 424 HE21 GLN 51 1HE2 GLN 51 10.711 12.926 -3.948 425 HE22 GLN 51 2HE2 GLN 51 11.172 13.559 -5.489 426 H GLY 52 H GLY 52 5.895 17.374 -1.021 427 HA2 GLY 52 2HA GLY 52 4.262 15.440 0.130 428 HA3 GLY 52 3HA GLY 52 3.682 16.762 -0.867 429 H CYS 53 H CYS 53 2.891 13.811 -0.629 430 HA CYS 53 HA CYS 53 3.446 12.584 -3.155 431 HB2 CYS 53 2HB CYS 53 1.538 11.024 -2.505 432 HB3 CYS 53 3HB CYS 53 2.827 11.145 -1.309 433 HG CYS 53 HG CYS 53 -0.034 12.972 -1.072 434 H LYS 54 H LYS 54 1.593 11.961 -4.647 435 HA LYS 54 HA LYS 54 -0.463 14.040 -4.978 436 HB2 LYS 54 2HB LYS 54 1.679 14.459 -6.411 437 HB3 LYS 54 3HB LYS 54 1.235 13.030 -7.325 438 HG2 LYS 54 2HG LYS 54 -0.542 15.486 -7.071 439 HG3 LYS 54 3HG LYS 54 0.633 15.259 -8.365 440 HD2 LYS 54 2HD LYS 54 -0.602 13.138 -9.001 441 HD3 LYS 54 3HD LYS 54 -1.843 13.574 -7.819 442 HE2 LYS 54 2HE LYS 54 -1.030 15.192 -10.254 443 HE3 LYS 54 3HE LYS 54 -2.512 14.257 -10.071 444 HZ1 LYS 54 3HZ LYS 54 -3.183 15.752 -8.284 445 HZ2 LYS 54 1HZ LYS 54 -2.894 16.601 -9.718 446 HZ3 LYS 54 2HZ LYS 54 -1.760 16.649 -8.470 447 H ARG 55 H ARG 55 0.838 10.938 -6.188 448 HA ARG 55 HA ARG 55 -1.800 9.690 -5.829 449 HB2 ARG 55 2HB ARG 55 -1.617 10.449 -8.232 450 HB3 ARG 55 3HB ARG 55 -0.197 9.426 -8.412 451 HG2 ARG 55 2HG ARG 55 -1.596 7.420 -7.954 452 HG3 ARG 55 3HG ARG 55 -3.009 8.460 -7.763 453 HD2 ARG 55 2HD ARG 55 -1.413 7.952 -10.291 454 HD3 ARG 55 3HD ARG 55 -3.103 7.541 -9.984 455 HE ARG 55 HE ARG 55 -2.029 10.272 -10.385 456 HH11 ARG 55 1HH1 ARG 55 -4.814 8.101 -10.475 457 HH12 ARG 55 2HH1 ARG 55 -5.852 9.296 -11.173 458 HH21 ARG 55 1HH2 ARG 55 -3.424 11.819 -11.261 459 HH22 ARG 55 2HH2 ARG 55 -5.066 11.400 -11.621 460 H VAL 56 H VAL 56 -1.568 7.759 -4.876 461 HA VAL 56 HA VAL 56 1.006 6.280 -5.063 462 HB VAL 56 HB VAL 56 -1.132 6.137 -2.869 463 HG11 VAL 56 1HG1 VAL 56 -0.068 3.938 -3.179 464 HG12 VAL 56 2HG1 VAL 56 0.456 4.656 -1.654 465 HG13 VAL 56 3HG1 VAL 56 1.531 4.679 -3.054 466 HG21 VAL 56 3HG2 VAL 56 1.677 7.289 -2.762 467 HG22 VAL 56 1HG2 VAL 56 0.584 7.137 -1.382 468 HG23 VAL 56 2HG2 VAL 56 0.176 8.217 -2.718 469 H LYS 57 H LYS 57 0.840 4.127 -5.735 470 HA LYS 57 HA LYS 57 -1.809 3.012 -6.386 471 HB2 LYS 57 2HB LYS 57 0.605 3.044 -8.255 472 HB3 LYS 57 3HB LYS 57 -0.851 2.093 -8.512 473 HG2 LYS 57 2HG LYS 57 -2.083 4.411 -8.435 474 HG3 LYS 57 3HG LYS 57 -0.483 5.087 -8.738 475 HD2 LYS 57 2HD LYS 57 -1.711 4.791 -10.856 476 HD3 LYS 57 3HD LYS 57 -0.315 3.709 -10.811 477 HE2 LYS 57 2HE LYS 57 -1.805 1.837 -10.137 478 HE3 LYS 57 3HE LYS 57 -3.188 2.927 -10.185 479 HZ1 LYS 57 3HZ LYS 57 -3.068 1.591 -12.154 480 HZ2 LYS 57 1HZ LYS 57 -1.502 2.141 -12.486 481 HZ3 LYS 57 2HZ LYS 57 -2.804 3.215 -12.553 482 H ILE 58 H ILE 58 -1.967 1.181 -5.302 483 HA ILE 58 HA ILE 58 0.370 -0.541 -4.780 484 HB ILE 58 HB ILE 58 -2.470 -0.608 -3.642 485 HG12 ILE 58 2HG1 ILE 58 0.141 0.159 -2.256 486 HG13 ILE 58 3HG1 ILE 58 -1.074 1.304 -2.810 487 HG21 ILE 58 1HG2 ILE 58 -0.111 -2.375 -2.911 488 HG22 ILE 58 2HG2 ILE 58 -1.563 -2.892 -3.768 489 HG23 ILE 58 3HG2 ILE 58 -1.671 -2.365 -2.087 490 HD11 ILE 58 3HD1 ILE 58 -1.227 0.978 -0.426 491 HD12 ILE 58 1HD1 ILE 58 -1.435 -0.762 -0.633 492 HD13 ILE 58 2HD1 ILE 58 -2.679 0.354 -1.207 493 H ARG 59 H ARG 59 0.658 -1.896 -6.460 494 HA ARG 59 HA ARG 59 -1.650 -3.192 -7.790 495 HB2 ARG 59 2HB ARG 59 -0.271 -1.948 -9.381 496 HB3 ARG 59 3HB ARG 59 1.201 -2.682 -8.757 497 HG2 ARG 59 2HG ARG 59 0.479 -4.882 -9.643 498 HG3 ARG 59 3HG ARG 59 -1.005 -4.149 -10.253 499 HD2 ARG 59 2HD ARG 59 0.277 -2.770 -11.816 500 HD3 ARG 59 3HD ARG 59 1.795 -3.366 -11.140 501 HE ARG 59 HE ARG 59 1.166 -5.596 -12.001 502 HH11 ARG 59 1HH1 ARG 59 -0.319 -2.786 -13.508 503 HH12 ARG 59 2HH1 ARG 59 -0.632 -3.606 -14.999 504 HH21 ARG 59 1HH2 ARG 59 0.732 -6.663 -13.956 505 HH22 ARG 59 2HH2 ARG 59 -0.038 -5.809 -15.254 506 H PHE 60 H PHE 60 -1.678 -5.430 -7.855 507 HA PHE 60 HA PHE 60 0.387 -7.029 -6.604 508 HB2 PHE 60 2HB PHE 60 -0.726 -6.087 -4.628 509 HB3 PHE 60 3HB PHE 60 -2.311 -6.571 -5.242 510 HD1 PHE 60 HD2 PHE 60 1.001 -7.993 -4.162 511 HD2 PHE 60 HD1 PHE 60 -3.211 -8.665 -4.604 512 HE1 PHE 60 HE2 PHE 60 1.204 -10.154 -3.004 513 HE2 PHE 60 HE1 PHE 60 -2.983 -10.809 -3.440 514 HZ PHE 60 HZ PHE 60 -0.784 -11.557 -2.637 515 H GLU 61 H GLU 61 0.196 -9.174 -7.149 516 HA GLU 61 HA GLU 61 -1.425 -9.812 -9.432 517 HB2 GLU 61 2HB GLU 61 0.452 -11.561 -7.781 518 HB3 GLU 61 3HB GLU 61 -0.280 -12.034 -9.317 519 HG2 GLU 61 2HG GLU 61 0.893 -10.143 -10.426 520 HG3 GLU 61 3HG GLU 61 1.676 -9.758 -8.889 521 H LYS 62 H LYS 62 -3.472 -10.424 -9.283 522 HA LYS 62 HA LYS 62 -4.486 -11.859 -6.896 523 HB2 LYS 62 2HB LYS 62 -5.329 -9.438 -7.829 524 HB3 LYS 62 3HB LYS 62 -6.356 -10.456 -8.816 525 HG2 LYS 62 2HG LYS 62 -6.287 -10.597 -5.774 526 HG3 LYS 62 3HG LYS 62 -7.381 -9.547 -6.670 527 HD2 LYS 62 2HD LYS 62 -7.313 -12.590 -6.855 528 HD3 LYS 62 3HD LYS 62 -8.499 -11.647 -5.946 529 HE2 LYS 62 2HE LYS 62 -9.298 -10.621 -8.046 530 HE3 LYS 62 3HE LYS 62 -8.092 -11.523 -8.961 531 HZ1 LYS 62 3HZ LYS 62 -10.244 -12.568 -9.077 532 HZ2 LYS 62 1HZ LYS 62 -10.317 -12.685 -7.394 533 HZ3 LYS 62 2HZ LYS 62 -9.161 -13.567 -8.258 534 H LYS 63 H LYS 63 -3.051 -13.222 -8.879 535 HA LYS 63 HA LYS 63 -5.121 -14.910 -10.183 536 HB2 LYS 63 2HB LYS 63 -2.407 -14.115 -11.326 537 HB3 LYS 63 3HB LYS 63 -3.480 -15.322 -12.031 538 HG2 LYS 63 2HG LYS 63 -5.187 -13.621 -12.438 539 HG3 LYS 63 3HG LYS 63 -4.181 -12.392 -11.669 540 HD2 LYS 63 2HD LYS 63 -2.481 -12.680 -13.446 541 HD3 LYS 63 3HD LYS 63 -3.487 -13.907 -14.224 542 HE2 LYS 63 2HE LYS 63 -5.232 -12.235 -14.626 543 HE3 LYS 63 3HE LYS 63 -4.284 -11.005 -13.789 544 HZ1 LYS 63 3HZ LYS 63 -2.600 -11.185 -15.488 545 HZ2 LYS 63 1HZ LYS 63 -4.102 -10.849 -16.194 546 HZ3 LYS 63 2HZ LYS 63 -3.464 -12.412 -16.269 547 H GLY 64 H GLY 64 -1.677 -14.888 -9.195 548 HA2 GLY 64 2HA GLY 64 -1.608 -17.779 -8.923 549 HA3 GLY 64 3HA GLY 64 -0.283 -16.657 -8.680 550 H LEU 65 H LEU 65 -3.442 -16.541 -7.082 551 HA LEU 65 HA LEU 65 -2.217 -17.297 -4.511 552 HB2 LEU 65 2HB LEU 65 -3.754 -15.517 -3.466 553 HB3 LEU 65 3HB LEU 65 -2.293 -14.977 -4.254 554 HG LEU 65 HG LEU 65 -3.620 -14.156 -6.196 555 HD11 LEU 65 1HD1 LEU 65 -6.077 -15.003 -4.628 556 HD12 LEU 65 2HD1 LEU 65 -5.525 -15.709 -6.148 557 HD13 LEU 65 3HD1 LEU 65 -6.079 -14.036 -6.108 558 HD21 LEU 65 3HD2 LEU 65 -4.718 -12.276 -5.019 559 HD22 LEU 65 1HD2 LEU 65 -3.130 -12.647 -4.347 560 HD23 LEU 65 2HD2 LEU 65 -4.588 -13.167 -3.498 561 H ASP 66 H ASP 66 -4.161 -17.355 -2.853 562 HA ASP 66 HA ASP 66 -6.423 -18.932 -3.940 563 HB2 ASP 66 2HB ASP 66 -4.796 -20.316 -2.586 564 HB3 ASP 66 3HB ASP 66 -5.026 -19.233 -1.222 565 H ASP 67 H ASP 67 -8.366 -18.737 -2.343 566 HA ASP 67 HA ASP 67 -9.229 -16.117 -1.931 567 HB2 ASP 67 2HB ASP 67 -10.776 -18.046 -2.070 568 HB3 ASP 67 3HB ASP 67 -10.191 -18.664 -0.529 569 H ASP 68 H ASP 68 -7.523 -18.285 0.230 570 HA ASP 68 HA ASP 68 -7.482 -16.907 2.643 571 HB2 ASP 68 2HB ASP 68 -6.586 -19.152 2.515 572 HB3 ASP 68 3HB ASP 68 -5.410 -18.689 1.290 573 H ALA 69 H ALA 69 -5.186 -16.685 -0.089 574 HA ALA 69 HA ALA 69 -3.627 -14.580 1.035 575 HB1 ALA 69 3HB ALA 69 -2.659 -16.221 -0.467 576 HB2 ALA 69 1HB ALA 69 -2.471 -14.602 -1.136 577 HB3 ALA 69 2HB ALA 69 -3.718 -15.681 -1.772 578 H ARG 70 H ARG 70 -6.383 -14.666 -1.209 579 HA ARG 70 HA ARG 70 -6.453 -12.017 -2.099 580 HB2 ARG 70 2HB ARG 70 -8.077 -13.581 -3.026 581 HB3 ARG 70 3HB ARG 70 -8.739 -13.927 -1.432 582 HG2 ARG 70 2HG ARG 70 -9.451 -11.416 -1.380 583 HG3 ARG 70 3HG ARG 70 -9.110 -11.412 -3.107 584 HD2 ARG 70 2HD ARG 70 -10.981 -13.475 -1.942 585 HD3 ARG 70 3HD ARG 70 -11.556 -11.838 -2.229 586 HE ARG 70 HE ARG 70 -10.933 -12.181 -4.611 587 HH11 ARG 70 1HH1 ARG 70 -11.686 -15.003 -2.637 588 HH12 ARG 70 2HH1 ARG 70 -12.181 -15.953 -3.996 589 HH21 ARG 70 1HH2 ARG 70 -11.647 -13.435 -6.330 590 HH22 ARG 70 2HH2 ARG 70 -12.157 -15.065 -6.079 591 H LYS 71 H LYS 71 -7.761 -13.511 0.855 592 HA LYS 71 HA LYS 71 -9.289 -11.295 1.716 593 HB2 LYS 71 2HB LYS 71 -9.639 -13.746 2.287 594 HB3 LYS 71 3HB LYS 71 -8.267 -13.642 3.380 595 HG2 LYS 71 2HG LYS 71 -10.310 -13.495 4.664 596 HG3 LYS 71 3HG LYS 71 -9.502 -11.927 4.711 597 HD2 LYS 71 2HD LYS 71 -11.059 -11.056 3.003 598 HD3 LYS 71 3HD LYS 71 -11.840 -12.635 2.891 599 HE2 LYS 71 2HE LYS 71 -13.188 -11.118 4.263 600 HE3 LYS 71 3HE LYS 71 -12.563 -12.433 5.255 601 HZ1 LYS 71 3HZ LYS 71 -12.369 -10.325 6.385 602 HZ2 LYS 71 1HZ LYS 71 -11.453 -9.678 5.121 603 HZ3 LYS 71 2HZ LYS 71 -10.829 -10.941 6.059 604 H LYS 72 H LYS 72 -6.081 -12.496 2.682 605 HA LYS 72 HA LYS 72 -5.773 -10.582 4.804 606 HB2 LYS 72 2HB LYS 72 -3.532 -11.546 5.090 607 HB3 LYS 72 3HB LYS 72 -4.772 -12.787 4.981 608 HG2 LYS 72 2HG LYS 72 -4.114 -13.125 2.559 609 HG3 LYS 72 3HG LYS 72 -2.759 -12.030 2.836 610 HD2 LYS 72 2HD LYS 72 -2.105 -14.437 2.993 611 HD3 LYS 72 3HD LYS 72 -1.801 -13.562 4.496 612 HE2 LYS 72 2HE LYS 72 -3.763 -14.551 5.533 613 HE3 LYS 72 3HE LYS 72 -4.279 -15.258 4.003 614 HZ1 LYS 72 3HZ LYS 72 -1.847 -16.012 5.529 615 HZ2 LYS 72 1HZ LYS 72 -2.324 -16.677 4.048 616 HZ3 LYS 72 2HZ LYS 72 -3.283 -16.903 5.419 617 H ALA 73 H ALA 73 -4.636 -10.778 1.429 618 HA ALA 73 HA ALA 73 -2.920 -8.462 1.581 619 HB1 ALA 73 3HB ALA 73 -2.549 -10.242 -0.076 620 HB2 ALA 73 1HB ALA 73 -2.775 -8.675 -0.858 621 HB3 ALA 73 2HB ALA 73 -4.089 -9.856 -0.847 622 H LYS 74 H LYS 74 -6.276 -9.064 0.815 623 HA LYS 74 HA LYS 74 -7.047 -6.596 -0.306 624 HB2 LYS 74 2HB LYS 74 -8.466 -8.619 -0.403 625 HB3 LYS 74 3HB LYS 74 -8.644 -8.600 1.347 626 HG2 LYS 74 2HG LYS 74 -9.829 -6.399 1.144 627 HG3 LYS 74 3HG LYS 74 -9.731 -6.557 -0.613 628 HD2 LYS 74 2HD LYS 74 -11.046 -8.672 -0.470 629 HD3 LYS 74 3HD LYS 74 -11.167 -8.460 1.279 630 HE2 LYS 74 2HE LYS 74 -13.230 -7.711 0.257 631 HE3 LYS 74 3HE LYS 74 -12.369 -6.300 0.878 632 HZ1 LYS 74 3HZ LYS 74 -12.418 -7.214 -1.947 633 HZ2 LYS 74 1HZ LYS 74 -11.559 -5.880 -1.370 634 HZ3 LYS 74 2HZ LYS 74 -13.247 -5.882 -1.313 635 H LYS 75 H LYS 75 -7.316 -7.859 2.991 636 HA LYS 75 HA LYS 75 -8.182 -5.580 4.338 637 HB2 LYS 75 2HB LYS 75 -8.351 -7.760 5.358 638 HB3 LYS 75 3HB LYS 75 -6.612 -8.020 5.255 639 HG2 LYS 75 2HG LYS 75 -6.230 -6.274 6.937 640 HG3 LYS 75 3HG LYS 75 -7.961 -5.935 7.004 641 HD2 LYS 75 2HD LYS 75 -8.417 -8.123 7.955 642 HD3 LYS 75 3HD LYS 75 -6.742 -8.630 7.713 643 HE2 LYS 75 2HE LYS 75 -7.288 -8.004 10.086 644 HE3 LYS 75 3HE LYS 75 -5.959 -7.078 9.388 645 HZ1 LYS 75 3HZ LYS 75 -7.423 -5.228 9.038 646 HZ2 LYS 75 1HZ LYS 75 -7.534 -5.713 10.657 647 HZ3 LYS 75 2HZ LYS 75 -8.763 -6.113 9.569 648 H TRP 76 H TRP 76 -4.915 -6.782 3.650 649 HA TRP 76 HA TRP 76 -3.357 -5.061 5.184 650 HB2 TRP 76 2HB TRP 76 -2.500 -7.113 4.069 651 HB3 TRP 76 3HB TRP 76 -2.684 -6.350 2.494 652 HD1 TRP 76 HD1 TRP 76 -0.489 -6.258 5.628 653 HE1 TRP 76 HE1 TRP 76 1.697 -5.044 5.082 654 HE3 TRP 76 HE3 TRP 76 -1.591 -4.592 0.920 655 HZ2 TRP 76 HZ2 TRP 76 2.817 -3.556 2.994 656 HZ3 TRP 76 HZ3 TRP 76 0.094 -3.256 -0.285 657 HH2 TRP 76 HH2 TRP 76 2.263 -2.758 0.737 658 H ALA 77 H ALA 77 -4.241 -4.764 1.723 659 HA ALA 77 HA ALA 77 -2.749 -2.363 1.346 660 HB1 ALA 77 3HB ALA 77 -4.786 -3.660 -0.477 661 HB2 ALA 77 1HB ALA 77 -3.062 -4.024 -0.423 662 HB3 ALA 77 2HB ALA 77 -3.605 -2.424 -0.931 663 H LEU 78 H LEU 78 -6.130 -3.036 2.047 664 HA LEU 78 HA LEU 78 -7.175 -0.429 1.669 665 HB2 LEU 78 2HB LEU 78 -8.008 -2.718 3.488 666 HB3 LEU 78 3HB LEU 78 -8.907 -1.209 3.420 667 HG LEU 78 HG LEU 78 -8.474 -3.070 1.045 668 HD11 LEU 78 1HD1 LEU 78 -10.969 -2.645 2.712 669 HD12 LEU 78 2HD1 LEU 78 -9.955 -4.090 2.715 670 HD13 LEU 78 3HD1 LEU 78 -10.840 -3.642 1.258 671 HD21 LEU 78 3HD2 LEU 78 -10.145 -1.657 -0.088 672 HD22 LEU 78 1HD2 LEU 78 -8.715 -0.729 0.357 673 HD23 LEU 78 2HD2 LEU 78 -10.193 -0.580 1.311 674 H GLU 79 H GLU 79 -5.759 -2.063 4.511 675 HA GLU 79 HA GLU 79 -6.012 0.143 6.294 676 HB2 GLU 79 2HB GLU 79 -4.341 -2.386 6.446 677 HB3 GLU 79 3HB GLU 79 -4.356 -1.176 7.726 678 HG2 GLU 79 2HG GLU 79 -6.847 -1.522 7.925 679 HG3 GLU 79 3HG GLU 79 -6.697 -2.865 6.786 680 H VAL 80 H VAL 80 -3.445 -0.815 4.044 681 HA VAL 80 HA VAL 80 -1.441 0.993 5.076 682 HB VAL 80 HB VAL 80 -1.645 -0.515 2.425 683 HG11 VAL 80 1HG1 VAL 80 0.737 1.057 3.479 684 HG12 VAL 80 2HG1 VAL 80 -0.214 1.454 2.045 685 HG13 VAL 80 3HG1 VAL 80 0.766 -0.014 2.077 686 HG21 VAL 80 3HG2 VAL 80 0.077 -1.986 3.413 687 HG22 VAL 80 1HG2 VAL 80 -1.378 -1.948 4.410 688 HG23 VAL 80 2HG2 VAL 80 0.046 -1.028 4.893 689 H ALA 81 H ALA 81 -3.785 1.048 2.412 690 HA ALA 81 HA ALA 81 -3.281 3.551 1.286 691 HB1 ALA 81 3HB ALA 81 -5.964 2.165 1.636 692 HB2 ALA 81 1HB ALA 81 -4.825 1.887 0.319 693 HB3 ALA 81 2HB ALA 81 -5.609 3.458 0.484 694 H ASN 82 H ASN 82 -5.470 2.655 3.926 695 HA ASN 82 HA ASN 82 -6.251 5.310 4.608 696 HB2 ASN 82 2HB ASN 82 -6.732 2.572 5.790 697 HB3 ASN 82 3HB ASN 82 -7.092 3.991 6.774 698 HD21 ASN 82 1HD2 ASN 82 -7.982 2.210 3.867 699 HD22 ASN 82 2HD2 ASN 82 -9.499 2.992 3.638 700 H LYS 83 H LYS 83 -3.582 3.231 5.606 701 HA LYS 83 HA LYS 83 -3.011 4.458 8.115 702 HB2 LYS 83 2HB LYS 83 -2.089 2.233 7.473 703 HB3 LYS 83 3HB LYS 83 -1.110 2.988 6.223 704 HG2 LYS 83 2HG LYS 83 0.301 2.494 8.116 705 HG3 LYS 83 3HG LYS 83 0.117 4.249 8.010 706 HD2 LYS 83 2HD LYS 83 -1.600 4.168 9.811 707 HD3 LYS 83 3HD LYS 83 -1.413 2.415 9.910 708 HE2 LYS 83 2HE LYS 83 0.961 2.736 10.586 709 HE3 LYS 83 3HE LYS 83 0.719 4.484 10.529 710 HZ1 LYS 83 3HZ LYS 83 -0.953 4.275 12.247 711 HZ2 LYS 83 1HZ LYS 83 0.522 3.638 12.766 712 HZ3 LYS 83 2HZ LYS 83 -0.730 2.599 12.300 713 H ILE 84 H ILE 84 -1.492 4.819 4.900 714 HA ILE 84 HA ILE 84 0.188 7.007 5.487 715 HB ILE 84 HB ILE 84 -0.980 6.001 2.847 716 HG12 ILE 84 2HG1 ILE 84 1.853 5.677 3.948 717 HG13 ILE 84 3HG1 ILE 84 0.604 4.464 4.145 718 HG21 ILE 84 1HG2 ILE 84 0.753 7.321 1.674 719 HG22 ILE 84 2HG2 ILE 84 1.239 8.038 3.211 720 HG23 ILE 84 3HG2 ILE 84 -0.366 8.363 2.557 721 HD11 ILE 84 3HD1 ILE 84 0.487 4.216 1.695 722 HD12 ILE 84 1HD1 ILE 84 2.090 3.868 2.342 723 HD13 ILE 84 2HD1 ILE 84 1.784 5.403 1.531 724 H ALA 85 H ALA 85 -3.109 6.806 4.149 725 HA ALA 85 HA ALA 85 -3.670 9.511 3.728 726 HB1 ALA 85 3HB ALA 85 -5.081 7.708 2.879 727 HB2 ALA 85 1HB ALA 85 -6.044 8.833 3.840 728 HB3 ALA 85 2HB ALA 85 -5.561 7.277 4.521 729 H ASN 86 H ASN 86 -3.778 7.600 6.696 730 HA ASN 86 HA ASN 86 -5.096 9.559 8.339 731 HB2 ASN 86 2HB ASN 86 -5.233 7.130 8.819 732 HB3 ASN 86 3HB ASN 86 -3.502 7.073 9.122 733 HD21 ASN 86 1HD2 ASN 86 -2.688 8.122 11.027 734 HD22 ASN 86 2HD2 ASN 86 -3.728 8.415 12.375 735 H GLU 87 H GLU 87 -1.706 8.517 7.844 736 HA GLU 87 HA GLU 87 -0.561 10.006 9.958 737 HB2 GLU 87 2HB GLU 87 0.868 9.227 7.375 738 HB3 GLU 87 3HB GLU 87 1.620 9.618 8.915 739 HG2 GLU 87 2HG GLU 87 0.057 7.142 8.178 740 HG3 GLU 87 3HG GLU 87 1.753 7.254 8.617 741 H LEU 88 H LEU 88 -1.346 10.803 6.638 742 HA LEU 88 HA LEU 88 -0.219 13.493 6.761 743 HB2 LEU 88 2HB LEU 88 -1.997 12.286 4.604 744 HB3 LEU 88 3HB LEU 88 -0.959 13.695 4.455 745 HG LEU 88 HG LEU 88 -0.045 10.811 4.730 746 HD11 LEU 88 1HD1 LEU 88 -0.952 11.338 2.525 747 HD12 LEU 88 2HD1 LEU 88 0.783 11.059 2.456 748 HD13 LEU 88 3HD1 LEU 88 0.156 12.705 2.379 749 HD21 LEU 88 3HD2 LEU 88 1.538 12.236 5.904 750 HD22 LEU 88 1HD2 LEU 88 1.645 13.325 4.517 751 HD23 LEU 88 2HD2 LEU 88 2.250 11.671 4.396 752 H GLY 89 H GLY 89 -3.308 11.854 7.053 753 HA2 GLY 89 2HA GLY 89 -5.399 12.495 7.696 754 HA3 GLY 89 3HA GLY 89 -4.717 14.008 8.274 755 H ALA 90 H ALA 90 -4.591 12.766 4.946 756 HA ALA 90 HA ALA 90 -5.603 15.362 4.020 757 HB1 ALA 90 3HB ALA 90 -3.395 14.655 3.205 758 HB2 ALA 90 1HB ALA 90 -4.550 14.812 1.877 759 HB3 ALA 90 2HB ALA 90 -4.110 13.212 2.481 760 H LYS 91 H LYS 91 -5.830 12.212 2.369 761 HA LYS 91 HA LYS 91 -8.701 12.697 1.829 762 HB2 LYS 91 2HB LYS 91 -6.541 12.054 -0.234 763 HB3 LYS 91 3HB LYS 91 -8.265 12.129 -0.572 764 HG2 LYS 91 2HG LYS 91 -6.611 14.483 0.392 765 HG3 LYS 91 3HG LYS 91 -6.970 14.145 -1.300 766 HD2 LYS 91 2HD LYS 91 -9.040 14.714 0.862 767 HD3 LYS 91 3HD LYS 91 -8.490 15.867 -0.353 768 HE2 LYS 91 2HE LYS 91 -9.405 14.405 -2.140 769 HE3 LYS 91 3HE LYS 91 -9.971 13.268 -0.912 770 HZ1 LYS 91 3HZ LYS 91 -11.399 14.984 -0.030 771 HZ2 LYS 91 1HZ LYS 91 -11.724 14.744 -1.673 772 HZ3 LYS 91 2HZ LYS 91 -10.833 16.090 -1.172 773 H GLN 92 H GLN 92 -9.471 10.665 0.432 774 HA GLN 92 HA GLN 92 -8.595 8.224 1.837 775 HB2 GLN 92 2HB GLN 92 -11.199 9.046 0.535 776 HB3 GLN 92 3HB GLN 92 -10.826 7.333 0.682 777 HG2 GLN 92 2HG GLN 92 -10.968 9.299 2.984 778 HG3 GLN 92 3HG GLN 92 -12.216 8.129 2.550 779 HE21 GLN 92 1HE2 GLN 92 -10.544 8.430 5.028 780 HE22 GLN 92 2HE2 GLN 92 -9.831 6.877 5.275 781 H SER 93 H SER 93 -9.313 6.243 0.247 782 HA SER 93 HA SER 93 -7.779 6.533 -2.262 783 HB2 SER 93 2HB SER 93 -6.551 5.195 -0.626 784 HB3 SER 93 3HB SER 93 -7.946 4.148 -0.375 785 HG SER 93 HG SER 93 -7.568 3.178 -2.258 786 H THR 94 H THR 94 -8.571 5.456 -4.067 787 HA THR 94 HA THR 94 -11.202 4.116 -3.878 788 HB THR 94 HB THR 94 -11.078 5.795 -5.655 789 HG1 THR 94 HG1 THR 94 -10.917 3.225 -6.860 790 HG21 THR 94 3HG2 THR 94 -8.735 4.230 -6.803 791 HG22 THR 94 1HG2 THR 94 -8.633 5.820 -6.050 792 HG23 THR 94 2HG2 THR 94 -9.524 5.616 -7.561 793 H THR 95 H THR 95 -11.358 1.891 -4.351 794 HA THR 95 HA THR 95 -8.820 0.407 -4.730 795 HB THR 95 HB THR 95 -10.984 -0.251 -2.688 796 HG1 THR 95 HG1 THR 95 -9.734 0.781 -1.352 797 HG21 THR 95 3HG2 THR 95 -8.439 -1.760 -3.399 798 HG22 THR 95 1HG2 THR 95 -10.095 -2.340 -3.595 799 HG23 THR 95 2HG2 THR 95 -9.432 -2.085 -1.980 800 H THR 96 H THR 96 -9.037 -0.559 -6.657 801 HA THR 96 HA THR 96 -11.461 -1.963 -7.439 802 HB THR 96 HB THR 96 -8.694 -2.014 -8.748 803 HG1 THR 96 HG1 THR 96 -9.370 -0.305 -9.939 804 HG21 THR 96 3HG2 THR 96 -10.163 -3.906 -9.441 805 HG22 THR 96 1HG2 THR 96 -9.928 -2.755 -10.772 806 HG23 THR 96 2HG2 THR 96 -11.434 -2.759 -9.858 807 H THR 97 H THR 97 -11.844 -3.723 -6.214 808 HA THR 97 HA THR 97 -9.689 -5.654 -5.637 809 HB THR 97 HB THR 97 -11.042 -4.966 -3.685 810 HG1 THR 97 HG1 THR 97 -11.498 -7.687 -4.440 811 HG21 THR 97 3HG2 THR 97 -13.208 -4.484 -4.748 812 HG22 THR 97 1HG2 THR 97 -13.407 -5.652 -3.439 813 HG23 THR 97 2HG2 THR 97 -13.425 -6.194 -5.119 814 H ASP 98 H ASP 98 -9.676 -7.581 -6.671 815 HA ASP 98 HA ASP 98 -10.135 -9.273 -8.090 816 HB2 ASP 98 2HB ASP 98 -12.965 -8.568 -7.231 817 HB3 ASP 98 3HB ASP 98 -12.663 -9.879 -8.360 818 H GLY 99 H GLY 99 -12.375 -9.545 -9.991 819 HA2 GLY 99 2HA GLY 99 -12.887 -8.970 -12.164 820 HA3 GLY 99 3HA GLY 99 -12.109 -7.409 -11.925 821 H ASP 100 H ASP 100 -9.831 -7.265 -12.129 822 HA ASP 100 HA ASP 100 -8.175 -9.536 -12.824 823 HB2 ASP 100 2HB ASP 100 -9.095 -8.940 -15.064 824 HB3 ASP 100 3HB ASP 100 -8.577 -7.272 -14.850 825 H THR 101 H THR 101 -6.411 -9.205 -11.669 826 HA THR 101 HA THR 101 -4.715 -8.362 -10.492 827 HB THR 101 HB THR 101 -4.941 -5.905 -12.274 828 HG1 THR 101 HG1 THR 101 -4.598 -7.505 -13.678 829 HG21 THR 101 3HG2 THR 101 -2.534 -7.004 -10.756 830 HG22 THR 101 1HG2 THR 101 -3.440 -5.554 -10.307 831 HG23 THR 101 2HG2 THR 101 -2.534 -5.597 -11.820 832 H PHE 102 H PHE 102 -4.496 -7.475 -8.484 833 HA PHE 102 HA PHE 102 -6.709 -5.937 -7.393 834 HB2 PHE 102 2HB PHE 102 -5.670 -7.928 -6.231 835 HB3 PHE 102 3HB PHE 102 -4.204 -6.982 -6.000 836 HD1 PHE 102 HD2 PHE 102 -7.899 -6.860 -5.316 837 HD2 PHE 102 HD1 PHE 102 -3.972 -5.750 -4.001 838 HE1 PHE 102 HE2 PHE 102 -8.838 -5.963 -3.227 839 HE2 PHE 102 HE1 PHE 102 -4.932 -4.873 -1.923 840 HZ PHE 102 HZ PHE 102 -7.357 -4.973 -1.535 841 H GLU 103 H GLU 103 -6.674 -3.729 -7.482 842 HA GLU 103 HA GLU 103 -4.100 -2.288 -7.232 843 HB2 GLU 103 2HB GLU 103 -4.805 -2.364 -9.642 844 HB3 GLU 103 3HB GLU 103 -6.300 -1.541 -9.203 845 HG2 GLU 103 2HG GLU 103 -4.917 0.397 -8.360 846 HG3 GLU 103 3HG GLU 103 -3.479 -0.422 -8.966 847 H VAL 104 H VAL 104 -4.186 -1.051 -5.490 848 HA VAL 104 HA VAL 104 -6.675 0.346 -4.682 849 HB VAL 104 HB VAL 104 -4.206 -0.255 -2.973 850 HG11 VAL 104 1HG1 VAL 104 -6.942 0.792 -2.172 851 HG12 VAL 104 2HG1 VAL 104 -5.440 1.716 -2.189 852 HG13 VAL 104 3HG1 VAL 104 -5.643 0.382 -1.049 853 HG21 VAL 104 3HG2 VAL 104 -6.853 -1.735 -3.044 854 HG22 VAL 104 1HG2 VAL 104 -5.593 -1.987 -1.837 855 HG23 VAL 104 2HG2 VAL 104 -5.283 -2.372 -3.532 856 H GLU 105 H GLU 105 -6.556 2.395 -5.572 857 HA GLU 105 HA GLU 105 -3.912 3.713 -5.831 858 HB2 GLU 105 2HB GLU 105 -5.219 3.319 -7.921 859 HB3 GLU 105 3HB GLU 105 -6.514 4.329 -7.286 860 HG2 GLU 105 2HG GLU 105 -5.033 6.279 -7.283 861 HG3 GLU 105 3HG GLU 105 -3.680 5.272 -7.809 862 H VAL 106 H VAL 106 -3.495 5.152 -4.286 863 HA VAL 106 HA VAL 106 -5.656 6.368 -2.683 864 HB VAL 106 HB VAL 106 -2.709 6.524 -1.942 865 HG11 VAL 106 1HG1 VAL 106 -5.219 6.305 -0.244 866 HG12 VAL 106 2HG1 VAL 106 -4.343 7.794 -0.591 867 HG13 VAL 106 3HG1 VAL 106 -3.578 6.525 0.368 868 HG21 VAL 106 3HG2 VAL 106 -3.032 4.148 -2.484 869 HG22 VAL 106 1HG2 VAL 106 -4.452 4.083 -1.434 870 HG23 VAL 106 2HG2 VAL 106 -2.852 4.356 -0.739 871 H ILE 107 H ILE 107 -6.247 8.355 -3.481 872 HA ILE 107 HA ILE 107 -4.308 10.020 -4.934 873 HB ILE 107 HB ILE 107 -7.294 10.484 -4.507 874 HG12 ILE 107 2HG1 ILE 107 -6.906 8.365 -5.748 875 HG13 ILE 107 3HG1 ILE 107 -7.650 9.581 -6.777 876 HG21 ILE 107 1HG2 ILE 107 -5.378 11.758 -6.515 877 HG22 ILE 107 2HG2 ILE 107 -6.092 12.561 -5.115 878 HG23 ILE 107 3HG2 ILE 107 -7.120 12.036 -6.450 879 HD11 ILE 107 3HD1 ILE 107 -5.975 8.337 -7.975 880 HD12 ILE 107 1HD1 ILE 107 -4.742 8.774 -6.792 881 HD13 ILE 107 2HD1 ILE 107 -5.467 10.017 -7.819 882 H LEU 108 H LEU 108 -3.011 11.003 -3.431 883 HA LEU 108 HA LEU 108 -4.267 12.736 -1.351 884 HB2 LEU 108 2HB LEU 108 -1.518 11.425 -1.184 885 HB3 LEU 108 3HB LEU 108 -2.364 12.286 0.094 886 HG LEU 108 HG LEU 108 -3.280 9.638 -1.069 887 HD11 LEU 108 1HD1 LEU 108 -1.133 9.336 0.065 888 HD12 LEU 108 2HD1 LEU 108 -2.440 8.587 0.979 889 HD13 LEU 108 3HD1 LEU 108 -1.766 10.131 1.512 890 HD21 LEU 108 3HD2 LEU 108 -4.187 11.135 1.416 891 HD22 LEU 108 1HD2 LEU 108 -4.720 9.519 0.942 892 HD23 LEU 108 2HD2 LEU 108 -5.116 10.905 -0.069 893 H GLU 109 H GLU 109 -4.138 14.738 -2.413 894 HA GLU 109 HA GLU 109 -1.675 15.409 -3.915 895 HB2 GLU 109 2HB GLU 109 -4.369 16.821 -3.811 896 HB3 GLU 109 3HB GLU 109 -3.010 17.292 -4.828 897 HG2 GLU 109 2HG GLU 109 -3.166 15.225 -6.108 898 HG3 GLU 109 3HG GLU 109 -4.404 14.594 -5.023 899 H LEU 110 H LEU 110 -0.348 15.746 -2.062 900 HA LEU 110 HA LEU 110 -0.922 18.068 -0.320 901 HB2 LEU 110 2HB LEU 110 1.157 15.861 -0.161 902 HB3 LEU 110 3HB LEU 110 1.230 17.292 0.855 903 HG LEU 110 HG LEU 110 -1.089 16.644 1.751 904 HD11 LEU 110 1HD1 LEU 110 -1.791 15.111 -0.018 905 HD12 LEU 110 2HD1 LEU 110 -1.792 14.296 1.545 906 HD13 LEU 110 3HD1 LEU 110 -0.483 14.004 0.398 907 HD21 LEU 110 3HD2 LEU 110 1.214 14.759 2.283 908 HD22 LEU 110 1HD2 LEU 110 -0.184 15.009 3.333 909 HD23 LEU 110 2HD2 LEU 110 0.948 16.329 3.046 910 H GLU 111 H GLU 111 1.079 17.059 -2.984 911 HA GLU 111 HA GLU 111 2.808 19.407 -2.752 912 HB2 GLU 111 2HB GLU 111 3.281 16.854 -3.736 913 HB3 GLU 111 3HB GLU 111 3.028 17.748 -5.221 914 HG2 GLU 111 2HG GLU 111 5.050 18.465 -3.076 915 HG3 GLU 111 3HG GLU 111 5.413 17.562 -4.537 916 H HIS 112 H HIS 112 2.467 21.194 -3.856 917 HA HIS 112 HA HIS 112 0.212 21.464 -5.720 918 HB2 HIS 112 2HB HIS 112 0.763 23.964 -5.510 919 HB3 HIS 112 3HB HIS 112 0.197 23.179 -4.040 920 HD1 HIS 112 HD1 HIS 112 3.434 24.394 -5.627 921 HD2 HIS 112 HD2 HIS 112 1.890 23.389 -1.905 922 HE1 HIS 112 HE1 HIS 112 5.195 25.037 -3.962 923 HE2 HIS 112 HE2 HIS 112 4.318 24.203 -1.760 924 H HIS 113 H HIS 113 1.871 19.913 -6.890 925 HA HIS 113 HA HIS 113 4.066 21.091 -8.326 926 HB2 HIS 113 2HB HIS 113 3.655 18.548 -7.671 927 HB3 HIS 113 3HB HIS 113 2.717 18.492 -9.158 928 HD1 HIS 113 HD1 HIS 113 6.175 18.689 -7.841 929 HD2 HIS 113 HD2 HIS 113 4.289 18.697 -11.538 930 HE1 HIS 113 HE1 HIS 113 8.001 18.383 -9.524 931 HE2 HIS 113 HE2 HIS 113 6.863 18.612 -11.750 932 H HIS 114 H HIS 114 3.838 22.390 -10.038 933 HA HIS 114 HA HIS 114 1.218 23.106 -10.926 934 HB2 HIS 114 2HB HIS 114 3.939 24.152 -11.799 935 HB3 HIS 114 3HB HIS 114 2.401 24.850 -12.302 936 HD1 HIS 114 HD1 HIS 114 1.092 26.227 -10.573 937 HD2 HIS 114 HD2 HIS 114 4.668 24.695 -9.113 938 HE1 HIS 114 HE1 HIS 114 1.523 27.434 -8.419 939 HE2 HIS 114 HE2 HIS 114 3.808 26.662 -7.696 940 H HIS 115 H HIS 115 0.503 21.233 -11.883 941 HA HIS 115 HA HIS 115 0.844 21.251 -14.782 942 HB2 HIS 115 2HB HIS 115 2.221 19.304 -13.881 943 HB3 HIS 115 3HB HIS 115 0.758 18.638 -13.171 944 HD1 HIS 115 HD1 HIS 115 2.813 18.400 -16.111 945 HD2 HIS 115 HD2 HIS 115 -1.261 18.033 -15.352 946 HE1 HIS 115 HE1 HIS 115 1.866 17.093 -18.043 947 HE2 HIS 115 HE2 HIS 115 -0.577 16.820 -17.512 948 H HIS 116 H HIS 116 -1.010 22.498 -14.631 949 HA HIS 116 HA HIS 116 -3.314 21.882 -13.087 950 HB2 HIS 116 2HB HIS 116 -2.746 24.186 -13.793 951 HB3 HIS 116 3HB HIS 116 -2.986 23.750 -15.480 952 HD1 HIS 116 HD1 HIS 116 -4.839 25.407 -15.906 953 HD2 HIS 116 HD2 HIS 116 -5.691 22.875 -12.713 954 HE1 HIS 116 HE1 HIS 116 -7.243 25.835 -15.313 955 HE2 HIS 116 HE2 HIS 116 -7.720 24.329 -13.352 956 H HIS 117 H HIS 117 -3.921 19.790 -13.520 957 HA HIS 117 HA HIS 117 -5.128 18.085 -14.333 958 HB2 HIS 117 2HB HIS 117 -6.905 19.743 -14.699 959 HB3 HIS 117 3HB HIS 117 -6.240 20.155 -16.273 960 HD1 HIS 117 HD1 HIS 117 -7.074 18.830 -18.236 961 HD2 HIS 117 HD2 HIS 117 -8.031 17.052 -14.605 962 HE1 HIS 117 HE1 HIS 117 -8.598 16.913 -18.798 963 HE2 HIS 117 HE2 HIS 117 -9.197 15.891 -16.581 Start of MODEL 4 1 H1 MET 1 1H MET 1 11.580 -28.235 -7.826 2 H2 MET 1 2H MET 1 10.428 -27.979 -6.614 3 H3 MET 1 3H MET 1 10.955 -26.688 -7.560 4 HA MET 1 HA MET 1 9.968 -27.609 -9.507 5 HB2 MET 1 2HB MET 1 8.999 -29.830 -7.654 6 HB3 MET 1 3HB MET 1 8.474 -29.616 -9.322 7 HG2 MET 1 2HG MET 1 10.118 -31.380 -9.218 8 HG3 MET 1 3HG MET 1 10.817 -30.001 -10.071 9 HE1 MET 1 3HE MET 1 13.856 -31.661 -8.108 10 HE2 MET 1 1HE MET 1 13.235 -31.237 -9.704 11 HE3 MET 1 2HE MET 1 12.466 -32.521 -8.768 12 H ALA 2 H ALA 2 8.172 -28.281 -6.483 13 HA ALA 2 HA ALA 2 6.015 -26.475 -7.194 14 HB1 ALA 2 3HB ALA 2 6.503 -28.044 -4.633 15 HB2 ALA 2 1HB ALA 2 5.533 -28.583 -6.005 16 HB3 ALA 2 2HB ALA 2 5.018 -27.189 -5.057 17 H GLY 3 H GLY 3 5.422 -24.620 -6.011 18 HA2 GLY 3 2HA GLY 3 6.640 -23.545 -3.761 19 HA3 GLY 3 3HA GLY 3 7.542 -22.930 -5.146 20 H LYS 4 H LYS 4 6.019 -21.381 -3.311 21 HA LYS 4 HA LYS 4 3.909 -20.263 -5.097 22 HB2 LYS 4 2HB LYS 4 2.899 -19.297 -3.021 23 HB3 LYS 4 3HB LYS 4 2.955 -21.059 -2.972 24 HG2 LYS 4 2HG LYS 4 5.010 -20.930 -1.567 25 HG3 LYS 4 3HG LYS 4 4.867 -19.166 -1.566 26 HD2 LYS 4 2HD LYS 4 2.723 -19.307 -0.379 27 HD3 LYS 4 3HD LYS 4 2.754 -21.072 -0.485 28 HE2 LYS 4 2HE LYS 4 4.749 -19.357 1.032 29 HE3 LYS 4 3HE LYS 4 3.454 -20.322 1.744 30 HZ1 LYS 4 3HZ LYS 4 4.492 -22.316 0.905 31 HZ2 LYS 4 1HZ LYS 4 5.596 -21.448 1.838 32 HZ3 LYS 4 2HZ LYS 4 5.712 -21.421 0.154 33 H GLU 5 H GLU 5 3.865 -17.947 -5.306 34 HA GLU 5 HA GLU 5 5.931 -16.337 -4.055 35 HB2 GLU 5 2HB GLU 5 7.048 -17.515 -6.068 36 HB3 GLU 5 3HB GLU 5 6.004 -16.549 -7.100 37 HG2 GLU 5 2HG GLU 5 8.085 -15.400 -7.035 38 HG3 GLU 5 3HG GLU 5 7.012 -14.480 -5.983 39 H LEU 6 H LEU 6 4.094 -15.256 -3.285 40 HA LEU 6 HA LEU 6 2.332 -13.828 -5.144 41 HB2 LEU 6 2HB LEU 6 2.448 -14.033 -2.103 42 HB3 LEU 6 3HB LEU 6 1.365 -12.927 -2.930 43 HG LEU 6 HG LEU 6 0.176 -14.829 -3.972 44 HD11 LEU 6 1HD1 LEU 6 1.982 -16.647 -2.366 45 HD12 LEU 6 2HD1 LEU 6 1.953 -16.491 -4.122 46 HD13 LEU 6 3HD1 LEU 6 0.553 -17.149 -3.277 47 HD21 LEU 6 3HD2 LEU 6 -0.930 -15.668 -1.953 48 HD22 LEU 6 1HD2 LEU 6 -0.637 -13.933 -1.860 49 HD23 LEU 6 2HD2 LEU 6 0.394 -15.051 -0.961 50 H ARG 7 H ARG 7 3.497 -12.156 -6.103 51 HA ARG 7 HA ARG 7 5.390 -10.596 -4.496 52 HB2 ARG 7 2HB ARG 7 5.978 -11.305 -6.832 53 HB3 ARG 7 3HB ARG 7 4.688 -10.270 -7.439 54 HG2 ARG 7 2HG ARG 7 5.871 -8.306 -6.341 55 HG3 ARG 7 3HG ARG 7 7.208 -9.400 -5.977 56 HD2 ARG 7 2HD ARG 7 7.693 -8.121 -7.992 57 HD3 ARG 7 3HD ARG 7 7.486 -9.828 -8.401 58 HE ARG 7 HE ARG 7 5.356 -9.333 -9.330 59 HH11 ARG 7 1HH1 ARG 7 7.138 -6.442 -8.446 60 HH12 ARG 7 2HH1 ARG 7 6.194 -5.402 -9.456 61 HH21 ARG 7 1HH2 ARG 7 4.109 -7.932 -10.663 62 HH22 ARG 7 2HH2 ARG 7 4.487 -6.243 -10.707 63 H VAL 8 H VAL 8 4.860 -8.741 -3.545 64 HA VAL 8 HA VAL 8 2.392 -7.306 -4.271 65 HB VAL 8 HB VAL 8 4.126 -6.528 -1.911 66 HG11 VAL 8 1HG1 VAL 8 2.236 -5.080 -2.495 67 HG12 VAL 8 2HG1 VAL 8 1.977 -5.836 -0.923 68 HG13 VAL 8 3HG1 VAL 8 1.122 -6.442 -2.344 69 HG21 VAL 8 3HG2 VAL 8 2.952 -8.099 -0.418 70 HG22 VAL 8 1HG2 VAL 8 3.915 -8.949 -1.631 71 HG23 VAL 8 2HG2 VAL 8 2.165 -8.836 -1.812 72 H GLU 9 H GLU 9 2.686 -5.649 -5.666 73 HA GLU 9 HA GLU 9 5.310 -4.284 -5.836 74 HB2 GLU 9 2HB GLU 9 4.497 -5.372 -7.942 75 HB3 GLU 9 3HB GLU 9 3.036 -4.387 -7.870 76 HG2 GLU 9 2HG GLU 9 4.518 -2.333 -8.005 77 HG3 GLU 9 3HG GLU 9 5.882 -3.416 -8.292 78 H ILE 10 H ILE 10 5.063 -2.662 -4.256 79 HA ILE 10 HA ILE 10 2.603 -1.044 -4.281 80 HB ILE 10 HB ILE 10 5.072 -0.708 -2.501 81 HG12 ILE 10 2HG1 ILE 10 3.968 -2.904 -2.093 82 HG13 ILE 10 3HG1 ILE 10 3.764 -1.831 -0.715 83 HG21 ILE 10 1HG2 ILE 10 3.581 0.712 -1.090 84 HG22 ILE 10 2HG2 ILE 10 2.290 0.522 -2.276 85 HG23 ILE 10 3HG2 ILE 10 3.769 1.376 -2.714 86 HD11 ILE 10 3HD1 ILE 10 1.480 -1.353 -1.441 87 HD12 ILE 10 1HD1 ILE 10 1.764 -3.070 -1.169 88 HD13 ILE 10 2HD1 ILE 10 1.700 -2.445 -2.814 89 H LYS 11 H LYS 11 2.555 0.501 -5.766 90 HA LYS 11 HA LYS 11 4.998 1.681 -6.892 91 HB2 LYS 11 2HB LYS 11 2.779 0.659 -8.160 92 HB3 LYS 11 3HB LYS 11 2.275 2.332 -8.027 93 HG2 LYS 11 2HG LYS 11 4.721 1.252 -9.437 94 HG3 LYS 11 3HG LYS 11 3.285 1.949 -10.192 95 HD2 LYS 11 2HD LYS 11 3.861 4.156 -9.185 96 HD3 LYS 11 3HD LYS 11 5.300 3.435 -8.450 97 HE2 LYS 11 2HE LYS 11 4.738 3.792 -11.415 98 HE3 LYS 11 3HE LYS 11 5.995 4.574 -10.452 99 HZ1 LYS 11 3HZ LYS 11 6.946 2.317 -10.070 100 HZ2 LYS 11 1HZ LYS 11 6.996 2.806 -11.687 101 HZ3 LYS 11 2HZ LYS 11 5.835 1.691 -11.174 102 H ILE 12 H ILE 12 5.621 3.494 -5.825 103 HA ILE 12 HA ILE 12 3.581 5.452 -4.919 104 HB ILE 12 HB ILE 12 6.484 5.152 -3.999 105 HG12 ILE 12 2HG1 ILE 12 5.020 3.359 -3.090 106 HG13 ILE 12 3HG1 ILE 12 5.557 4.437 -1.811 107 HG21 ILE 12 1HG2 ILE 12 5.974 6.912 -2.310 108 HG22 ILE 12 2HG2 ILE 12 4.382 7.133 -3.041 109 HG23 ILE 12 3HG2 ILE 12 5.833 7.518 -3.964 110 HD11 ILE 12 3HD1 ILE 12 2.846 4.415 -3.114 111 HD12 ILE 12 1HD1 ILE 12 3.367 5.536 -1.851 112 HD13 ILE 12 2HD1 ILE 12 3.267 3.809 -1.515 113 H ASP 13 H ASP 13 3.386 7.156 -6.246 114 HA ASP 13 HA ASP 13 5.686 8.094 -7.838 115 HB2 ASP 13 2HB ASP 13 3.709 7.754 -9.206 116 HB3 ASP 13 3HB ASP 13 2.712 8.676 -8.087 117 H CYS 14 H CYS 14 6.862 9.497 -6.741 118 HA CYS 14 HA CYS 14 5.841 10.973 -4.463 119 HB2 CYS 14 2HB CYS 14 8.281 11.624 -4.253 120 HB3 CYS 14 3HB CYS 14 7.969 9.891 -4.196 121 HG CYS 14 HG CYS 14 9.555 11.697 -6.596 122 H GLY 15 H GLY 15 5.035 11.725 -7.313 123 HA2 GLY 15 2HA GLY 15 4.440 13.767 -8.261 124 HA3 GLY 15 3HA GLY 15 5.611 14.598 -7.242 125 H ASN 16 H ASN 16 7.583 12.388 -8.048 126 HA ASN 16 HA ASN 16 8.471 13.597 -10.593 127 HB2 ASN 16 2HB ASN 16 9.994 13.598 -8.493 128 HB3 ASN 16 3HB ASN 16 10.128 11.855 -8.701 129 HD21 ASN 16 1HD2 ASN 16 10.941 14.975 -10.048 130 HD22 ASN 16 2HD2 ASN 16 12.138 14.412 -11.159 131 H ASP 17 H ASP 17 7.442 12.436 -12.155 132 HA ASP 17 HA ASP 17 6.750 9.707 -12.124 133 HB2 ASP 17 2HB ASP 17 5.701 11.420 -13.601 134 HB3 ASP 17 3HB ASP 17 7.190 11.532 -14.526 135 H ASP 18 H ASP 18 9.697 11.344 -13.044 136 HA ASP 18 HA ASP 18 10.893 9.395 -14.696 137 HB2 ASP 18 2HB ASP 18 12.282 11.435 -12.894 138 HB3 ASP 18 3HB ASP 18 13.041 10.558 -14.221 139 H LYS 19 H LYS 19 11.373 10.081 -11.240 140 HA LYS 19 HA LYS 19 12.912 7.606 -10.865 141 HB2 LYS 19 2HB LYS 19 12.536 10.022 -9.039 142 HB3 LYS 19 3HB LYS 19 13.537 8.616 -8.664 143 HG2 LYS 19 2HG LYS 19 14.986 9.092 -10.576 144 HG3 LYS 19 3HG LYS 19 13.964 10.459 -11.039 145 HD2 LYS 19 2HD LYS 19 14.538 11.611 -8.926 146 HD3 LYS 19 3HD LYS 19 15.535 10.236 -8.436 147 HE2 LYS 19 2HE LYS 19 17.041 10.633 -10.335 148 HE3 LYS 19 3HE LYS 19 16.019 11.964 -10.884 149 HZ1 LYS 19 3HZ LYS 19 16.541 13.190 -8.921 150 HZ2 LYS 19 1HZ LYS 19 17.988 12.699 -9.639 151 HZ3 LYS 19 2HZ LYS 19 17.413 11.901 -8.261 152 H GLU 20 H GLU 20 11.055 6.348 -11.178 153 HA GLU 20 HA GLU 20 8.730 6.418 -9.532 154 HB2 GLU 20 2HB GLU 20 9.892 4.117 -11.171 155 HB3 GLU 20 3HB GLU 20 8.234 4.219 -10.578 156 HG2 GLU 20 2HG GLU 20 7.753 6.082 -12.040 157 HG3 GLU 20 3HG GLU 20 9.445 6.217 -12.517 158 H THR 21 H THR 21 8.687 5.868 -7.395 159 HA THR 21 HA THR 21 10.762 4.088 -6.282 160 HB THR 21 HB THR 21 9.859 4.853 -4.044 161 HG1 THR 21 HG1 THR 21 7.802 5.687 -5.327 162 HG21 THR 21 3HG2 THR 21 10.829 7.118 -4.125 163 HG22 THR 21 1HG2 THR 21 10.752 7.095 -5.888 164 HG23 THR 21 2HG2 THR 21 11.819 5.976 -5.037 165 H THR 22 H THR 22 10.202 2.005 -6.452 166 HA THR 22 HA THR 22 7.381 1.187 -6.020 167 HB THR 22 HB THR 22 9.128 0.020 -8.234 168 HG1 THR 22 HG1 THR 22 8.933 2.018 -9.009 169 HG21 THR 22 3HG2 THR 22 7.151 -1.315 -7.566 170 HG22 THR 22 1HG2 THR 22 6.953 -0.656 -9.192 171 HG23 THR 22 2HG2 THR 22 6.114 0.091 -7.831 172 H TYR 23 H TYR 23 7.231 -0.566 -4.711 173 HA TYR 23 HA TYR 23 9.738 -1.708 -3.641 174 HB2 TYR 23 2HB TYR 23 6.977 -1.558 -2.319 175 HB3 TYR 23 3HB TYR 23 8.476 -2.074 -1.552 176 HD1 TYR 23 HD1 TYR 23 6.740 0.881 -3.028 177 HD2 TYR 23 HD2 TYR 23 9.936 -0.441 -0.519 178 HE1 TYR 23 HE1 TYR 23 7.141 3.187 -2.327 179 HE2 TYR 23 HE2 TYR 23 10.325 1.885 0.183 180 HH TYR 23 HH TYR 23 8.123 4.385 -0.387 181 H ASP 24 H ASP 24 10.084 -3.815 -4.030 182 HA ASP 24 HA ASP 24 7.830 -5.594 -4.769 183 HB2 ASP 24 2HB ASP 24 10.818 -5.987 -5.270 184 HB3 ASP 24 3HB ASP 24 9.527 -7.085 -5.766 185 H LEU 25 H LEU 25 7.137 -6.164 -2.836 186 HA LEU 25 HA LEU 25 8.923 -7.705 -1.028 187 HB2 LEU 25 2HB LEU 25 7.253 -7.271 0.775 188 HB3 LEU 25 3HB LEU 25 8.076 -5.823 0.230 189 HG LEU 25 HG LEU 25 5.344 -6.490 -0.889 190 HD11 LEU 25 1HD1 LEU 25 4.252 -5.194 0.851 191 HD12 LEU 25 2HD1 LEU 25 5.781 -5.035 1.719 192 HD13 LEU 25 3HD1 LEU 25 5.034 -6.624 1.524 193 HD21 LEU 25 3HD2 LEU 25 5.163 -4.061 -1.157 194 HD22 LEU 25 1HD2 LEU 25 6.618 -4.671 -1.946 195 HD23 LEU 25 2HD2 LEU 25 6.739 -3.845 -0.389 196 H TYR 26 H TYR 26 7.050 -9.211 0.333 197 HA TYR 26 HA TYR 26 5.621 -10.697 -1.761 198 HB2 TYR 26 2HB TYR 26 7.819 -11.819 0.023 199 HB3 TYR 26 3HB TYR 26 6.664 -12.842 -0.830 200 HD1 TYR 26 HD1 TYR 26 6.441 -12.385 -3.430 201 HD2 TYR 26 HD2 TYR 26 9.845 -11.260 -1.101 202 HE1 TYR 26 HE1 TYR 26 7.788 -12.257 -5.471 203 HE2 TYR 26 HE2 TYR 26 11.204 -11.141 -3.147 204 HH TYR 26 HH TYR 26 11.184 -12.079 -5.430 205 H PHE 27 H PHE 27 3.826 -11.515 -1.173 206 HA PHE 27 HA PHE 27 1.993 -12.150 -0.142 207 HB2 PHE 27 2HB PHE 27 3.734 -12.603 2.313 208 HB3 PHE 27 3HB PHE 27 2.063 -13.145 2.142 209 HD1 PHE 27 HD2 PHE 27 5.537 -13.652 0.925 210 HD2 PHE 27 HD1 PHE 27 1.527 -15.137 0.838 211 HE1 PHE 27 HE2 PHE 27 6.324 -15.713 -0.121 212 HE2 PHE 27 HE1 PHE 27 2.334 -17.206 -0.215 213 HZ PHE 27 HZ PHE 27 4.732 -17.493 -0.699 214 H SER 28 H SER 28 0.306 -11.418 1.092 215 HA SER 28 HA SER 28 0.695 -9.017 2.747 216 HB2 SER 28 2HB SER 28 -1.397 -9.344 0.554 217 HB3 SER 28 3HB SER 28 -1.295 -7.985 1.676 218 HG SER 28 HG SER 28 1.030 -7.986 0.720 219 H LYS 29 H LYS 29 0.454 -11.729 3.498 220 HA LYS 29 HA LYS 29 -2.092 -11.725 4.979 221 HB2 LYS 29 2HB LYS 29 -2.274 -14.135 4.731 222 HB3 LYS 29 3HB LYS 29 -2.207 -13.388 3.142 223 HG2 LYS 29 2HG LYS 29 0.193 -14.057 2.966 224 HG3 LYS 29 3HG LYS 29 0.053 -14.865 4.536 225 HD2 LYS 29 2HD LYS 29 -1.842 -16.253 3.516 226 HD3 LYS 29 3HD LYS 29 -1.392 -15.568 1.951 227 HE2 LYS 29 2HE LYS 29 -0.368 -17.773 2.228 228 HE3 LYS 29 3HE LYS 29 0.887 -16.534 2.218 229 HZ1 LYS 29 3HZ LYS 29 -0.239 -17.853 4.636 230 HZ2 LYS 29 1HZ LYS 29 0.924 -16.631 4.654 231 HZ3 LYS 29 2HZ LYS 29 1.288 -18.131 3.966 232 H ALA 30 H ALA 30 -2.015 -12.447 7.064 233 HA ALA 30 HA ALA 30 -1.299 -12.981 9.118 234 HB1 ALA 30 3HB ALA 30 -0.120 -14.923 8.137 235 HB2 ALA 30 1HB ALA 30 0.755 -14.267 9.523 236 HB3 ALA 30 2HB ALA 30 1.316 -13.934 7.880 237 H GLU 31 H GLU 31 0.393 -12.429 10.791 238 HA GLU 31 HA GLU 31 0.735 -9.646 10.928 239 HB2 GLU 31 2HB GLU 31 1.924 -10.093 13.052 240 HB3 GLU 31 3HB GLU 31 0.446 -11.040 12.920 241 HG2 GLU 31 2HG GLU 31 1.852 -13.001 12.189 242 HG3 GLU 31 3HG GLU 31 3.290 -12.041 12.550 243 H GLU 32 H GLU 32 2.849 -12.150 9.800 244 HA GLU 32 HA GLU 32 5.365 -10.916 9.817 245 HB2 GLU 32 2HB GLU 32 4.185 -12.924 7.851 246 HB3 GLU 32 3HB GLU 32 5.905 -12.561 8.011 247 HG2 GLU 32 2HG GLU 32 5.965 -13.473 10.242 248 HG3 GLU 32 3HG GLU 32 4.207 -13.668 10.270 249 H ALA 33 H ALA 33 2.845 -11.007 7.262 250 HA ALA 33 HA ALA 33 4.221 -9.201 5.497 251 HB1 ALA 33 3HB ALA 33 2.153 -9.248 4.180 252 HB2 ALA 33 1HB ALA 33 1.316 -10.060 5.504 253 HB3 ALA 33 2HB ALA 33 2.624 -10.884 4.654 254 H LYS 34 H LYS 34 1.870 -8.877 8.095 255 HA LYS 34 HA LYS 34 1.100 -6.188 7.676 256 HB2 LYS 34 2HB LYS 34 0.003 -7.871 9.240 257 HB3 LYS 34 3HB LYS 34 1.329 -7.601 10.366 258 HG2 LYS 34 2HG LYS 34 0.686 -5.204 10.527 259 HG3 LYS 34 3HG LYS 34 -0.648 -5.503 9.405 260 HD2 LYS 34 2HD LYS 34 -1.521 -7.226 11.081 261 HD3 LYS 34 3HD LYS 34 -0.307 -6.622 12.214 262 HE2 LYS 34 2HE LYS 34 -2.421 -5.536 12.691 263 HE3 LYS 34 3HE LYS 34 -1.328 -4.341 11.989 264 HZ1 LYS 34 3HZ LYS 34 -2.435 -4.730 9.824 265 HZ2 LYS 34 1HZ LYS 34 -3.491 -4.136 11.003 266 HZ3 LYS 34 2HZ LYS 34 -3.525 -5.771 10.592 267 H GLU 35 H GLU 35 3.928 -7.649 9.126 268 HA GLU 35 HA GLU 35 5.089 -5.299 10.254 269 HB2 GLU 35 2HB GLU 35 5.712 -7.695 10.811 270 HB3 GLU 35 3HB GLU 35 6.506 -7.798 9.247 271 HG2 GLU 35 2HG GLU 35 8.131 -7.402 11.036 272 HG3 GLU 35 3HG GLU 35 8.095 -6.050 9.900 273 H LEU 36 H LEU 36 5.181 -6.826 7.024 274 HA LEU 36 HA LEU 36 6.951 -4.944 5.809 275 HB2 LEU 36 2HB LEU 36 4.939 -6.897 4.678 276 HB3 LEU 36 3HB LEU 36 5.705 -5.727 3.627 277 HG LEU 36 HG LEU 36 6.886 -7.763 3.376 278 HD11 LEU 36 1HD1 LEU 36 9.166 -7.187 4.003 279 HD12 LEU 36 2HD1 LEU 36 8.582 -5.949 5.117 280 HD13 LEU 36 3HD1 LEU 36 8.301 -5.786 3.379 281 HD21 LEU 36 3HD2 LEU 36 7.261 -7.915 6.384 282 HD22 LEU 36 1HD2 LEU 36 7.925 -9.033 5.188 283 HD23 LEU 36 2HD2 LEU 36 6.182 -8.919 5.414 284 H LEU 37 H LEU 37 3.475 -4.998 6.387 285 HA LEU 37 HA LEU 37 2.656 -2.781 4.875 286 HB2 LEU 37 2HB LEU 37 1.036 -4.242 5.882 287 HB3 LEU 37 3HB LEU 37 1.657 -3.955 7.482 288 HG LEU 37 HG LEU 37 0.358 -1.657 6.001 289 HD11 LEU 37 1HD1 LEU 37 -1.226 -3.522 5.770 290 HD12 LEU 37 2HD1 LEU 37 -1.834 -2.296 6.878 291 HD13 LEU 37 3HD1 LEU 37 -1.165 -3.800 7.516 292 HD21 LEU 37 3HD2 LEU 37 1.430 -1.147 8.175 293 HD22 LEU 37 1HD2 LEU 37 0.452 -2.390 8.962 294 HD23 LEU 37 2HD2 LEU 37 -0.317 -0.949 8.286 295 H LYS 38 H LYS 38 3.968 -2.998 8.163 296 HA LYS 38 HA LYS 38 3.895 -0.289 8.880 297 HB2 LYS 38 2HB LYS 38 4.304 -2.216 10.418 298 HB3 LYS 38 3HB LYS 38 5.909 -2.410 9.725 299 HG2 LYS 38 2HG LYS 38 6.488 -0.108 10.551 300 HG3 LYS 38 3HG LYS 38 4.898 -0.023 11.318 301 HD2 LYS 38 2HD LYS 38 7.079 -2.051 11.942 302 HD3 LYS 38 3HD LYS 38 6.638 -0.668 12.945 303 HE2 LYS 38 2HE LYS 38 4.492 -1.652 13.481 304 HE3 LYS 38 3HE LYS 38 4.701 -2.914 12.265 305 HZ1 LYS 38 3HZ LYS 38 6.385 -2.611 14.696 306 HZ2 LYS 38 1HZ LYS 38 6.508 -3.838 13.533 307 HZ3 LYS 38 2HZ LYS 38 5.126 -3.722 14.506 308 H LYS 39 H LYS 39 6.397 -2.231 7.274 309 HA LYS 39 HA LYS 39 8.433 -0.294 7.129 310 HB2 LYS 39 2HB LYS 39 8.792 -2.733 6.877 311 HB3 LYS 39 3HB LYS 39 7.924 -2.703 5.346 312 HG2 LYS 39 2HG LYS 39 9.655 -1.291 4.351 313 HG3 LYS 39 3HG LYS 39 10.514 -1.223 5.897 314 HD2 LYS 39 2HD LYS 39 10.856 -3.687 5.801 315 HD3 LYS 39 3HD LYS 39 10.007 -3.735 4.253 316 HE2 LYS 39 2HE LYS 39 12.603 -2.250 4.790 317 HE3 LYS 39 3HE LYS 39 12.449 -3.786 3.938 318 HZ1 LYS 39 3HZ LYS 39 11.036 -2.642 2.299 319 HZ2 LYS 39 1HZ LYS 39 12.610 -2.031 2.351 320 HZ3 LYS 39 2HZ LYS 39 11.345 -1.169 3.066 321 H VAL 40 H VAL 40 6.047 -1.329 4.709 322 HA VAL 40 HA VAL 40 6.884 0.299 2.570 323 HB VAL 40 HB VAL 40 4.293 -1.193 3.165 324 HG11 VAL 40 1HG1 VAL 40 4.934 0.328 0.617 325 HG12 VAL 40 2HG1 VAL 40 3.640 0.707 1.755 326 HG13 VAL 40 3HG1 VAL 40 3.581 -0.788 0.820 327 HG21 VAL 40 3HG2 VAL 40 5.080 -2.695 1.347 328 HG22 VAL 40 1HG2 VAL 40 6.262 -2.581 2.657 329 HG23 VAL 40 2HG2 VAL 40 6.519 -1.691 1.155 330 H ALA 41 H ALA 41 4.302 0.698 4.998 331 HA ALA 41 HA ALA 41 3.189 3.070 3.915 332 HB1 ALA 41 3HB ALA 41 1.958 3.228 6.025 333 HB2 ALA 41 1HB ALA 41 2.996 1.994 6.740 334 HB3 ALA 41 2HB ALA 41 1.927 1.578 5.397 335 H GLU 42 H GLU 42 5.698 2.458 6.366 336 HA GLU 42 HA GLU 42 6.114 5.146 7.140 337 HB2 GLU 42 2HB GLU 42 7.808 2.648 7.270 338 HB3 GLU 42 3HB GLU 42 8.530 4.199 7.678 339 HG2 GLU 42 2HG GLU 42 6.119 2.961 9.048 340 HG3 GLU 42 3HG GLU 42 7.768 2.967 9.674 341 H LYS 43 H LYS 43 7.671 3.096 4.685 342 HA LYS 43 HA LYS 43 9.593 4.992 3.823 343 HB2 LYS 43 2HB LYS 43 8.495 2.521 2.415 344 HB3 LYS 43 3HB LYS 43 9.888 3.432 1.848 345 HG2 LYS 43 2HG LYS 43 9.874 2.243 4.633 346 HG3 LYS 43 3HG LYS 43 10.235 1.232 3.239 347 HD2 LYS 43 2HD LYS 43 12.309 1.967 4.208 348 HD3 LYS 43 3HD LYS 43 12.121 2.774 2.656 349 HE2 LYS 43 2HE LYS 43 13.032 4.278 4.386 350 HE3 LYS 43 3HE LYS 43 11.464 4.847 3.812 351 HZ1 LYS 43 3HZ LYS 43 11.966 3.362 6.337 352 HZ2 LYS 43 1HZ LYS 43 10.448 3.863 5.782 353 HZ3 LYS 43 2HZ LYS 43 11.617 5.009 6.190 354 H ALA 44 H ALA 44 6.307 4.318 2.810 355 HA ALA 44 HA ALA 44 6.249 5.930 0.463 356 HB1 ALA 44 3HB ALA 44 3.967 5.042 2.270 357 HB2 ALA 44 1HB ALA 44 4.577 4.168 0.859 358 HB3 ALA 44 2HB ALA 44 3.793 5.734 0.655 359 H ALA 45 H ALA 45 5.339 6.438 3.859 360 HA ALA 45 HA ALA 45 4.456 9.107 3.691 361 HB1 ALA 45 3HB ALA 45 4.715 9.120 6.141 362 HB2 ALA 45 1HB ALA 45 5.644 7.623 6.060 363 HB3 ALA 45 2HB ALA 45 3.939 7.630 5.597 364 H ASP 46 H ASP 46 7.660 7.656 4.050 365 HA ASP 46 HA ASP 46 9.149 9.979 4.730 366 HB2 ASP 46 2HB ASP 46 9.921 7.309 3.486 367 HB3 ASP 46 3HB ASP 46 11.111 8.599 3.629 368 H LYS 47 H LYS 47 8.401 8.389 1.638 369 HA LYS 47 HA LYS 47 9.797 10.100 -0.100 370 HB2 LYS 47 2HB LYS 47 7.607 8.058 -0.449 371 HB3 LYS 47 3HB LYS 47 7.784 9.227 -1.746 372 HG2 LYS 47 2HG LYS 47 9.048 7.124 -2.172 373 HG3 LYS 47 3HG LYS 47 10.060 8.570 -2.156 374 HD2 LYS 47 2HD LYS 47 10.753 8.020 0.190 375 HD3 LYS 47 3HD LYS 47 9.788 6.551 0.096 376 HE2 LYS 47 2HE LYS 47 12.080 7.142 -1.794 377 HE3 LYS 47 3HE LYS 47 12.260 6.239 -0.290 378 HZ1 LYS 47 3HZ LYS 47 11.971 4.800 -2.212 379 HZ2 LYS 47 1HZ LYS 47 10.453 5.474 -2.513 380 HZ3 LYS 47 2HZ LYS 47 10.727 4.594 -1.090 381 H ILE 48 H ILE 48 6.528 10.342 1.241 382 HA ILE 48 HA ILE 48 5.685 12.660 -0.203 383 HB ILE 48 HB ILE 48 4.703 11.767 2.551 384 HG12 ILE 48 2HG1 ILE 48 3.615 11.002 -0.189 385 HG13 ILE 48 3HG1 ILE 48 4.549 9.940 0.850 386 HG21 ILE 48 1HG2 ILE 48 2.615 12.974 1.955 387 HG22 ILE 48 2HG2 ILE 48 3.346 13.492 0.433 388 HG23 ILE 48 3HG2 ILE 48 4.003 14.061 1.969 389 HD11 ILE 48 3HD1 ILE 48 2.189 9.436 0.920 390 HD12 ILE 48 1HD1 ILE 48 1.828 11.068 1.479 391 HD13 ILE 48 2HD1 ILE 48 2.767 9.969 2.496 392 H LYS 49 H LYS 49 7.323 12.160 2.884 393 HA LYS 49 HA LYS 49 7.274 14.777 3.913 394 HB2 LYS 49 2HB LYS 49 7.797 12.834 5.289 395 HB3 LYS 49 3HB LYS 49 9.234 12.494 4.334 396 HG2 LYS 49 2HG LYS 49 10.349 14.487 5.199 397 HG3 LYS 49 3HG LYS 49 8.878 14.979 6.049 398 HD2 LYS 49 2HD LYS 49 10.511 13.929 7.585 399 HD3 LYS 49 3HD LYS 49 9.010 13.008 7.501 400 HE2 LYS 49 2HE LYS 49 10.159 11.453 5.857 401 HE3 LYS 49 3HE LYS 49 11.658 12.331 6.167 402 HZ1 LYS 49 3HZ LYS 49 11.466 10.316 7.502 403 HZ2 LYS 49 1HZ LYS 49 10.045 10.894 8.200 404 HZ3 LYS 49 2HZ LYS 49 11.507 11.689 8.493 405 H LYS 50 H LYS 50 9.591 13.147 1.775 406 HA LYS 50 HA LYS 50 11.390 15.371 1.499 407 HB2 LYS 50 2HB LYS 50 10.994 12.761 -0.004 408 HB3 LYS 50 3HB LYS 50 12.042 13.998 -0.680 409 HG2 LYS 50 2HG LYS 50 13.349 12.333 0.530 410 HG3 LYS 50 3HG LYS 50 13.481 13.915 1.295 411 HD2 LYS 50 2HD LYS 50 11.993 13.240 3.093 412 HD3 LYS 50 3HD LYS 50 11.616 11.729 2.268 413 HE2 LYS 50 2HE LYS 50 13.175 11.318 4.094 414 HE3 LYS 50 3HE LYS 50 13.956 10.989 2.548 415 HZ1 LYS 50 3HZ LYS 50 15.419 12.200 4.029 416 HZ2 LYS 50 1HZ LYS 50 14.291 13.453 4.172 417 HZ3 LYS 50 2HZ LYS 50 15.029 13.156 2.685 418 H GLN 51 H GLN 51 8.731 14.050 -0.448 419 HA GLN 51 HA GLN 51 8.097 16.561 -1.725 420 HB2 GLN 51 2HB GLN 51 8.430 15.593 -4.078 421 HB3 GLN 51 3HB GLN 51 9.896 16.016 -3.199 422 HG2 GLN 51 2HG GLN 51 10.181 13.607 -2.587 423 HG3 GLN 51 3HG GLN 51 8.775 13.225 -3.575 424 HE21 GLN 51 1HE2 GLN 51 12.095 14.273 -3.609 425 HE22 GLN 51 2HE2 GLN 51 12.378 13.956 -5.282 426 H GLY 52 H GLY 52 5.937 16.598 -2.000 427 HA2 GLY 52 2HA GLY 52 4.319 14.723 -0.737 428 HA3 GLY 52 3HA GLY 52 3.747 16.022 -1.766 429 H CYS 53 H CYS 53 4.199 12.624 -1.470 430 HA CYS 53 HA CYS 53 4.023 11.839 -4.198 431 HB2 CYS 53 2HB CYS 53 3.182 10.230 -1.761 432 HB3 CYS 53 3HB CYS 53 3.560 9.594 -3.362 433 HG CYS 53 HG CYS 53 6.077 11.386 -2.159 434 H LYS 54 H LYS 54 2.453 12.872 -5.227 435 HA LYS 54 HA LYS 54 -0.172 13.345 -4.262 436 HB2 LYS 54 2HB LYS 54 0.957 14.862 -5.804 437 HB3 LYS 54 3HB LYS 54 1.044 13.601 -7.033 438 HG2 LYS 54 2HG LYS 54 -1.494 13.592 -7.064 439 HG3 LYS 54 3HG LYS 54 -1.447 15.013 -6.010 440 HD2 LYS 54 2HD LYS 54 -0.197 16.263 -7.727 441 HD3 LYS 54 3HD LYS 54 -0.178 14.837 -8.777 442 HE2 LYS 54 2HE LYS 54 -1.928 16.332 -9.528 443 HE3 LYS 54 3HE LYS 54 -2.682 14.906 -8.812 444 HZ1 LYS 54 3HZ LYS 54 -2.335 17.556 -7.507 445 HZ2 LYS 54 1HZ LYS 54 -3.022 16.199 -6.763 446 HZ3 LYS 54 2HZ LYS 54 -3.781 16.915 -8.095 447 H ARG 55 H ARG 55 1.303 10.865 -6.236 448 HA ARG 55 HA ARG 55 -1.308 9.513 -6.619 449 HB2 ARG 55 2HB ARG 55 -0.269 10.449 -8.729 450 HB3 ARG 55 3HB ARG 55 1.108 9.384 -8.475 451 HG2 ARG 55 2HG ARG 55 -0.510 7.421 -8.589 452 HG3 ARG 55 3HG ARG 55 -1.765 8.574 -9.061 453 HD2 ARG 55 2HD ARG 55 0.776 7.881 -10.553 454 HD3 ARG 55 3HD ARG 55 -0.885 7.582 -11.068 455 HE ARG 55 HE ARG 55 -1.113 10.086 -11.166 456 HH11 ARG 55 1HH1 ARG 55 2.055 8.604 -11.588 457 HH12 ARG 55 2HH1 ARG 55 2.678 9.916 -12.530 458 HH21 ARG 55 1HH2 ARG 55 -0.280 11.794 -12.421 459 HH22 ARG 55 2HH2 ARG 55 1.355 11.723 -13.001 460 H VAL 56 H VAL 56 -1.396 7.698 -5.485 461 HA VAL 56 HA VAL 56 1.008 5.944 -5.298 462 HB VAL 56 HB VAL 56 -1.315 6.229 -3.313 463 HG11 VAL 56 1HG1 VAL 56 -0.691 3.866 -3.458 464 HG12 VAL 56 2HG1 VAL 56 -0.142 4.529 -1.916 465 HG13 VAL 56 3HG1 VAL 56 1.009 4.277 -3.232 466 HG21 VAL 56 3HG2 VAL 56 0.406 6.942 -1.687 467 HG22 VAL 56 1HG2 VAL 56 0.354 8.028 -3.079 468 HG23 VAL 56 2HG2 VAL 56 1.643 6.828 -2.941 469 H LYS 57 H LYS 57 0.724 3.994 -6.202 470 HA LYS 57 HA LYS 57 -1.983 2.867 -6.666 471 HB2 LYS 57 2HB LYS 57 0.559 2.394 -8.305 472 HB3 LYS 57 3HB LYS 57 -1.009 1.648 -8.605 473 HG2 LYS 57 2HG LYS 57 -1.961 3.779 -9.257 474 HG3 LYS 57 3HG LYS 57 -0.481 4.632 -8.794 475 HD2 LYS 57 2HD LYS 57 0.766 3.345 -10.540 476 HD3 LYS 57 3HD LYS 57 -0.749 2.579 -11.031 477 HE2 LYS 57 2HE LYS 57 -0.222 5.574 -11.127 478 HE3 LYS 57 3HE LYS 57 -0.073 4.481 -12.505 479 HZ1 LYS 57 3HZ LYS 57 -2.192 5.634 -12.476 480 HZ2 LYS 57 1HZ LYS 57 -2.571 4.951 -10.974 481 HZ3 LYS 57 2HZ LYS 57 -2.401 3.964 -12.331 482 H ILE 58 H ILE 58 -2.223 1.221 -5.198 483 HA ILE 58 HA ILE 58 0.142 -0.286 -4.236 484 HB ILE 58 HB ILE 58 -2.751 -0.189 -3.248 485 HG12 ILE 58 2HG1 ILE 58 -0.214 0.810 -1.877 486 HG13 ILE 58 3HG1 ILE 58 -1.397 1.829 -2.689 487 HG21 ILE 58 1HG2 ILE 58 -2.074 -1.634 -1.361 488 HG22 ILE 58 2HG2 ILE 58 -0.480 -1.818 -2.086 489 HG23 ILE 58 3HG2 ILE 58 -1.898 -2.454 -2.915 490 HD11 ILE 58 3HD1 ILE 58 -3.094 1.177 -1.038 491 HD12 ILE 58 1HD1 ILE 58 -1.680 1.911 -0.286 492 HD13 ILE 58 2HD1 ILE 58 -1.903 0.164 -0.212 493 H ARG 59 H ARG 59 0.568 -1.952 -5.576 494 HA ARG 59 HA ARG 59 -1.687 -3.464 -6.777 495 HB2 ARG 59 2HB ARG 59 1.196 -3.241 -7.751 496 HB3 ARG 59 3HB ARG 59 -0.033 -4.277 -8.477 497 HG2 ARG 59 2HG ARG 59 -1.379 -2.192 -8.951 498 HG3 ARG 59 3HG ARG 59 0.007 -1.244 -8.399 499 HD2 ARG 59 2HD ARG 59 1.404 -2.244 -10.153 500 HD3 ARG 59 3HD ARG 59 0.043 -3.224 -10.708 501 HE ARG 59 HE ARG 59 -1.068 -0.953 -11.111 502 HH11 ARG 59 1HH1 ARG 59 2.400 -1.462 -11.456 503 HH12 ARG 59 2HH1 ARG 59 2.583 -0.202 -12.630 504 HH21 ARG 59 1HH2 ARG 59 -0.807 0.652 -12.705 505 HH22 ARG 59 2HH2 ARG 59 0.773 0.986 -13.333 506 H PHE 60 H PHE 60 -1.714 -5.616 -6.568 507 HA PHE 60 HA PHE 60 0.473 -7.067 -5.278 508 HB2 PHE 60 2HB PHE 60 -0.988 -6.491 -3.412 509 HB3 PHE 60 3HB PHE 60 -2.423 -6.993 -4.312 510 HD1 PHE 60 HD2 PHE 60 0.764 -8.381 -2.912 511 HD2 PHE 60 HD1 PHE 60 -3.259 -9.197 -4.063 512 HE1 PHE 60 HE2 PHE 60 0.951 -10.630 -1.961 513 HE2 PHE 60 HE1 PHE 60 -3.076 -11.446 -3.109 514 HZ PHE 60 HZ PHE 60 -0.956 -12.177 -2.050 515 H GLU 61 H GLU 61 0.703 -9.055 -6.163 516 HA GLU 61 HA GLU 61 -0.669 -9.625 -8.621 517 HB2 GLU 61 2HB GLU 61 1.742 -10.057 -8.298 518 HB3 GLU 61 3HB GLU 61 1.371 -11.239 -7.049 519 HG2 GLU 61 2HG GLU 61 0.320 -12.709 -8.679 520 HG3 GLU 61 3HG GLU 61 0.504 -11.489 -9.944 521 H LYS 62 H LYS 62 -2.708 -10.257 -8.428 522 HA LYS 62 HA LYS 62 -3.461 -12.324 -6.448 523 HB2 LYS 62 2HB LYS 62 -4.294 -9.810 -6.159 524 HB3 LYS 62 3HB LYS 62 -5.416 -10.221 -7.445 525 HG2 LYS 62 2HG LYS 62 -5.222 -11.631 -4.757 526 HG3 LYS 62 3HG LYS 62 -6.419 -10.411 -5.188 527 HD2 LYS 62 2HD LYS 62 -6.117 -13.125 -6.542 528 HD3 LYS 62 3HD LYS 62 -7.326 -12.738 -5.316 529 HE2 LYS 62 2HE LYS 62 -8.388 -11.133 -6.800 530 HE3 LYS 62 3HE LYS 62 -7.098 -11.323 -7.994 531 HZ1 LYS 62 3HZ LYS 62 -7.766 -13.563 -8.371 532 HZ2 LYS 62 1HZ LYS 62 -9.125 -12.570 -8.524 533 HZ3 LYS 62 2HZ LYS 62 -8.909 -13.495 -7.128 534 H LYS 63 H LYS 63 -3.190 -14.004 -7.869 535 HA LYS 63 HA LYS 63 -5.430 -14.645 -9.510 536 HB2 LYS 63 2HB LYS 63 -4.121 -13.265 -11.142 537 HB3 LYS 63 3HB LYS 63 -2.735 -14.328 -10.917 538 HG2 LYS 63 2HG LYS 63 -4.041 -16.220 -11.840 539 HG3 LYS 63 3HG LYS 63 -5.425 -15.140 -12.067 540 HD2 LYS 63 2HD LYS 63 -4.062 -13.745 -13.619 541 HD3 LYS 63 3HD LYS 63 -2.703 -14.857 -13.416 542 HE2 LYS 63 2HE LYS 63 -4.078 -16.674 -14.381 543 HE3 LYS 63 3HE LYS 63 -5.410 -15.539 -14.607 544 HZ1 LYS 63 3HZ LYS 63 -4.208 -15.810 -16.652 545 HZ2 LYS 63 1HZ LYS 63 -2.742 -15.408 -15.911 546 HZ3 LYS 63 2HZ LYS 63 -3.953 -14.241 -16.075 547 H GLY 64 H GLY 64 -1.977 -15.470 -9.243 548 HA2 GLY 64 2HA GLY 64 -2.525 -18.326 -9.068 549 HA3 GLY 64 3HA GLY 64 -0.954 -17.545 -9.177 550 H LEU 65 H LEU 65 -3.710 -17.883 -6.971 551 HA LEU 65 HA LEU 65 -2.101 -18.635 -4.712 552 HB2 LEU 65 2HB LEU 65 -2.970 -16.600 -3.325 553 HB3 LEU 65 3HB LEU 65 -1.599 -16.372 -4.390 554 HG LEU 65 HG LEU 65 -3.139 -15.282 -6.087 555 HD11 LEU 65 1HD1 LEU 65 -5.289 -16.245 -5.403 556 HD12 LEU 65 2HD1 LEU 65 -5.349 -14.487 -5.397 557 HD13 LEU 65 3HD1 LEU 65 -5.211 -15.366 -3.872 558 HD21 LEU 65 3HD2 LEU 65 -3.026 -13.994 -3.347 559 HD22 LEU 65 1HD2 LEU 65 -3.338 -13.151 -4.868 560 HD23 LEU 65 2HD2 LEU 65 -1.778 -13.925 -4.595 561 H ASP 66 H ASP 66 -3.887 -18.128 -2.676 562 HA ASP 66 HA ASP 66 -6.314 -19.635 -3.462 563 HB2 ASP 66 2HB ASP 66 -4.770 -20.634 -1.700 564 HB3 ASP 66 3HB ASP 66 -5.135 -19.259 -0.663 565 H ASP 67 H ASP 67 -8.311 -18.998 -2.389 566 HA ASP 67 HA ASP 67 -9.012 -16.315 -2.674 567 HB2 ASP 67 2HB ASP 67 -10.686 -18.037 -2.868 568 HB3 ASP 67 3HB ASP 67 -10.384 -18.620 -1.234 569 H ASP 68 H ASP 68 -7.997 -18.101 0.179 570 HA ASP 68 HA ASP 68 -8.557 -16.317 2.242 571 HB2 ASP 68 2HB ASP 68 -7.715 -18.651 2.598 572 HB3 ASP 68 3HB ASP 68 -6.130 -18.174 1.987 573 H ALA 69 H ALA 69 -5.724 -16.565 0.113 574 HA ALA 69 HA ALA 69 -4.202 -14.468 1.232 575 HB1 ALA 69 3HB ALA 69 -3.212 -16.231 -0.169 576 HB2 ALA 69 1HB ALA 69 -2.850 -14.628 -0.814 577 HB3 ALA 69 2HB ALA 69 -4.094 -15.624 -1.573 578 H ARG 70 H ARG 70 -6.760 -14.483 -1.246 579 HA ARG 70 HA ARG 70 -6.411 -11.831 -2.208 580 HB2 ARG 70 2HB ARG 70 -7.817 -13.374 -3.470 581 HB3 ARG 70 3HB ARG 70 -8.896 -13.599 -2.095 582 HG2 ARG 70 2HG ARG 70 -9.715 -11.311 -2.287 583 HG3 ARG 70 3HG ARG 70 -8.520 -10.947 -3.530 584 HD2 ARG 70 2HD ARG 70 -10.688 -11.240 -4.557 585 HD3 ARG 70 3HD ARG 70 -9.632 -12.565 -5.042 586 HE ARG 70 HE ARG 70 -10.989 -13.591 -2.909 587 HH11 ARG 70 1HH1 ARG 70 -12.044 -12.105 -5.926 588 HH12 ARG 70 2HH1 ARG 70 -13.524 -13.000 -5.984 589 HH21 ARG 70 1HH2 ARG 70 -12.958 -14.755 -3.054 590 HH22 ARG 70 2HH2 ARG 70 -14.029 -14.472 -4.377 591 H LYS 71 H LYS 71 -8.470 -13.202 0.343 592 HA LYS 71 HA LYS 71 -9.807 -10.865 1.149 593 HB2 LYS 71 2HB LYS 71 -10.574 -13.151 1.716 594 HB3 LYS 71 3HB LYS 71 -9.153 -13.383 2.733 595 HG2 LYS 71 2HG LYS 71 -9.928 -11.560 4.224 596 HG3 LYS 71 3HG LYS 71 -11.370 -11.362 3.217 597 HD2 LYS 71 2HD LYS 71 -12.051 -13.697 3.749 598 HD3 LYS 71 3HD LYS 71 -10.615 -13.885 4.762 599 HE2 LYS 71 2HE LYS 71 -11.438 -12.077 6.239 600 HE3 LYS 71 3HE LYS 71 -12.876 -11.909 5.231 601 HZ1 LYS 71 3HZ LYS 71 -13.461 -14.197 5.788 602 HZ2 LYS 71 1HZ LYS 71 -13.346 -13.236 7.174 603 HZ3 LYS 71 2HZ LYS 71 -12.106 -14.323 6.786 604 H LYS 72 H LYS 72 -6.896 -12.460 2.408 605 HA LYS 72 HA LYS 72 -6.345 -10.742 4.567 606 HB2 LYS 72 2HB LYS 72 -4.481 -12.466 2.895 607 HB3 LYS 72 3HB LYS 72 -3.996 -11.669 4.388 608 HG2 LYS 72 2HG LYS 72 -6.165 -13.784 4.164 609 HG3 LYS 72 3HG LYS 72 -4.504 -14.077 4.688 610 HD2 LYS 72 2HD LYS 72 -4.889 -12.465 6.587 611 HD3 LYS 72 3HD LYS 72 -6.580 -12.348 6.088 612 HE2 LYS 72 2HE LYS 72 -5.160 -14.864 7.034 613 HE3 LYS 72 3HE LYS 72 -6.339 -13.924 7.947 614 HZ1 LYS 72 3HZ LYS 72 -7.987 -14.462 6.212 615 HZ2 LYS 72 1HZ LYS 72 -7.397 -15.832 7.011 616 HZ3 LYS 72 2HZ LYS 72 -6.851 -15.467 5.454 617 H ALA 73 H ALA 73 -5.220 -10.747 1.201 618 HA ALA 73 HA ALA 73 -3.356 -8.626 1.388 619 HB1 ALA 73 3HB ALA 73 -3.321 -10.294 -0.418 620 HB2 ALA 73 1HB ALA 73 -3.388 -8.653 -1.064 621 HB3 ALA 73 2HB ALA 73 -4.842 -9.658 -1.046 622 H LYS 74 H LYS 74 -6.763 -8.769 0.587 623 HA LYS 74 HA LYS 74 -7.107 -6.122 -0.301 624 HB2 LYS 74 2HB LYS 74 -8.727 -7.887 -0.781 625 HB3 LYS 74 3HB LYS 74 -9.082 -8.072 0.937 626 HG2 LYS 74 2HG LYS 74 -10.028 -5.788 1.004 627 HG3 LYS 74 3HG LYS 74 -9.625 -5.572 -0.700 628 HD2 LYS 74 2HD LYS 74 -11.989 -6.081 -0.452 629 HD3 LYS 74 3HD LYS 74 -11.174 -7.391 -1.307 630 HE2 LYS 74 2HE LYS 74 -11.157 -8.736 0.769 631 HE3 LYS 74 3HE LYS 74 -11.919 -7.400 1.642 632 HZ1 LYS 74 3HZ LYS 74 -13.843 -7.601 0.202 633 HZ2 LYS 74 1HZ LYS 74 -13.528 -9.075 0.977 634 HZ3 LYS 74 2HZ LYS 74 -13.111 -8.865 -0.646 635 H LYS 75 H LYS 75 -7.656 -7.666 2.850 636 HA LYS 75 HA LYS 75 -8.453 -5.436 4.339 637 HB2 LYS 75 2HB LYS 75 -8.670 -7.844 5.046 638 HB3 LYS 75 3HB LYS 75 -6.928 -7.907 5.282 639 HG2 LYS 75 2HG LYS 75 -8.041 -7.647 7.429 640 HG3 LYS 75 3HG LYS 75 -7.103 -6.193 7.063 641 HD2 LYS 75 2HD LYS 75 -9.181 -5.041 6.322 642 HD3 LYS 75 3HD LYS 75 -10.121 -6.493 6.685 643 HE2 LYS 75 2HE LYS 75 -9.565 -6.273 9.063 644 HE3 LYS 75 3HE LYS 75 -8.541 -4.879 8.709 645 HZ1 LYS 75 3HZ LYS 75 -10.669 -4.158 9.525 646 HZ2 LYS 75 1HZ LYS 75 -11.480 -5.036 8.324 647 HZ3 LYS 75 2HZ LYS 75 -10.519 -3.711 7.899 648 H TRP 76 H TRP 76 -5.280 -6.803 3.662 649 HA TRP 76 HA TRP 76 -3.597 -5.294 5.318 650 HB2 TRP 76 2HB TRP 76 -2.972 -7.410 4.162 651 HB3 TRP 76 3HB TRP 76 -3.043 -6.597 2.607 652 HD1 TRP 76 HD1 TRP 76 -0.855 -6.878 5.751 653 HE1 TRP 76 HE1 TRP 76 1.487 -6.051 5.182 654 HE3 TRP 76 HE3 TRP 76 -1.714 -5.016 1.058 655 HZ2 TRP 76 HZ2 TRP 76 2.842 -4.794 3.085 656 HZ3 TRP 76 HZ3 TRP 76 0.175 -4.008 -0.162 657 HH2 TRP 76 HH2 TRP 76 2.418 -3.907 0.838 658 H ALA 77 H ALA 77 -4.408 -4.850 1.863 659 HA ALA 77 HA ALA 77 -2.742 -2.587 1.462 660 HB1 ALA 77 3HB ALA 77 -5.048 -3.594 -0.224 661 HB2 ALA 77 1HB ALA 77 -3.363 -4.104 -0.357 662 HB3 ALA 77 2HB ALA 77 -3.813 -2.441 -0.739 663 H LEU 78 H LEU 78 -6.153 -2.948 2.307 664 HA LEU 78 HA LEU 78 -6.931 -0.233 1.993 665 HB2 LEU 78 2HB LEU 78 -8.057 -2.431 3.770 666 HB3 LEU 78 3HB LEU 78 -8.815 -0.857 3.579 667 HG LEU 78 HG LEU 78 -8.399 -2.876 1.338 668 HD11 LEU 78 1HD1 LEU 78 -10.942 -2.125 2.797 669 HD12 LEU 78 2HD1 LEU 78 -10.074 -3.658 2.930 670 HD13 LEU 78 3HD1 LEU 78 -10.817 -3.200 1.400 671 HD21 LEU 78 3HD2 LEU 78 -8.349 -0.582 0.500 672 HD22 LEU 78 1HD2 LEU 78 -9.869 -0.225 1.327 673 HD23 LEU 78 2HD2 LEU 78 -9.830 -1.392 0.002 674 H GLU 79 H GLU 79 -5.560 -2.090 4.716 675 HA GLU 79 HA GLU 79 -5.606 0.007 6.635 676 HB2 GLU 79 2HB GLU 79 -3.801 -2.443 6.478 677 HB3 GLU 79 3HB GLU 79 -3.861 -1.348 7.856 678 HG2 GLU 79 2HG GLU 79 -6.218 -1.928 8.228 679 HG3 GLU 79 3HG GLU 79 -6.181 -3.013 6.841 680 H VAL 80 H VAL 80 -3.201 -0.974 4.190 681 HA VAL 80 HA VAL 80 -1.086 0.761 4.907 682 HB VAL 80 HB VAL 80 -1.824 -0.230 2.104 683 HG11 VAL 80 1HG1 VAL 80 0.830 0.874 3.114 684 HG12 VAL 80 2HG1 VAL 80 -0.255 1.671 1.973 685 HG13 VAL 80 3HG1 VAL 80 0.557 0.174 1.514 686 HG21 VAL 80 3HG2 VAL 80 -0.153 -2.013 2.471 687 HG22 VAL 80 1HG2 VAL 80 -1.446 -2.097 3.671 688 HG23 VAL 80 2HG2 VAL 80 0.121 -1.423 4.112 689 H ALA 81 H ALA 81 -3.863 1.195 2.717 690 HA ALA 81 HA ALA 81 -3.312 3.735 1.681 691 HB1 ALA 81 3HB ALA 81 -6.027 2.463 2.185 692 HB2 ALA 81 1HB ALA 81 -5.031 2.238 0.742 693 HB3 ALA 81 2HB ALA 81 -5.712 3.825 1.106 694 H ASN 82 H ASN 82 -5.325 2.813 4.497 695 HA ASN 82 HA ASN 82 -5.932 5.496 5.287 696 HB2 ASN 82 2HB ASN 82 -6.322 2.822 6.689 697 HB3 ASN 82 3HB ASN 82 -6.756 4.349 7.454 698 HD21 ASN 82 1HD2 ASN 82 -7.667 2.020 5.058 699 HD22 ASN 82 2HD2 ASN 82 -9.180 2.726 4.648 700 H LYS 83 H LYS 83 -3.343 3.275 6.046 701 HA LYS 83 HA LYS 83 -2.389 4.346 8.480 702 HB2 LYS 83 2HB LYS 83 -1.682 2.117 7.518 703 HB3 LYS 83 3HB LYS 83 -0.774 2.966 6.277 704 HG2 LYS 83 2HG LYS 83 0.824 2.297 7.897 705 HG3 LYS 83 3HG LYS 83 0.583 4.028 8.158 706 HD2 LYS 83 2HD LYS 83 -0.982 3.491 10.034 707 HD3 LYS 83 3HD LYS 83 -0.646 1.771 9.798 708 HE2 LYS 83 2HE LYS 83 1.723 2.153 10.349 709 HE3 LYS 83 3HE LYS 83 1.415 3.883 10.524 710 HZ1 LYS 83 3HZ LYS 83 1.477 2.753 12.655 711 HZ2 LYS 83 1HZ LYS 83 0.208 1.744 12.187 712 HZ3 LYS 83 2HZ LYS 83 -0.056 3.405 12.366 713 H ILE 84 H ILE 84 -1.396 4.899 5.119 714 HA ILE 84 HA ILE 84 0.528 6.944 5.588 715 HB ILE 84 HB ILE 84 -1.029 6.259 3.044 716 HG12 ILE 84 2HG1 ILE 84 1.767 5.304 3.839 717 HG13 ILE 84 3HG1 ILE 84 0.311 4.342 4.053 718 HG21 ILE 84 1HG2 ILE 84 0.826 7.341 1.816 719 HG22 ILE 84 2HG2 ILE 84 1.561 7.812 3.349 720 HG23 ILE 84 3HG2 ILE 84 -0.003 8.479 2.881 721 HD11 ILE 84 3HD1 ILE 84 1.528 3.663 2.076 722 HD12 ILE 84 1HD1 ILE 84 1.417 5.291 1.406 723 HD13 ILE 84 2HD1 ILE 84 -0.043 4.324 1.632 724 H ALA 85 H ALA 85 -2.909 6.949 4.651 725 HA ALA 85 HA ALA 85 -3.270 9.720 4.259 726 HB1 ALA 85 3HB ALA 85 -5.685 9.253 4.411 727 HB2 ALA 85 1HB ALA 85 -5.342 7.654 5.075 728 HB3 ALA 85 2HB ALA 85 -4.867 8.042 3.420 729 H ASN 86 H ASN 86 -3.302 7.745 7.173 730 HA ASN 86 HA ASN 86 -4.445 9.675 8.951 731 HB2 ASN 86 2HB ASN 86 -4.451 7.276 9.497 732 HB3 ASN 86 3HB ASN 86 -2.693 7.242 9.519 733 HD21 ASN 86 1HD2 ASN 86 -1.590 8.288 11.301 734 HD22 ASN 86 2HD2 ASN 86 -2.417 8.568 12.796 735 H GLU 87 H GLU 87 -1.105 8.748 8.114 736 HA GLU 87 HA GLU 87 0.214 10.260 10.101 737 HB2 GLU 87 2HB GLU 87 1.233 9.263 7.410 738 HB3 GLU 87 3HB GLU 87 2.268 9.919 8.676 739 HG2 GLU 87 2HG GLU 87 0.601 7.384 8.835 740 HG3 GLU 87 3HG GLU 87 2.354 7.478 8.673 741 H LEU 88 H LEU 88 -0.282 10.949 6.621 742 HA LEU 88 HA LEU 88 0.827 13.636 6.903 743 HB2 LEU 88 2HB LEU 88 -0.236 12.144 4.476 744 HB3 LEU 88 3HB LEU 88 0.389 13.781 4.414 745 HG LEU 88 HG LEU 88 2.134 12.350 3.627 746 HD11 LEU 88 1HD1 LEU 88 2.863 13.107 6.463 747 HD12 LEU 88 2HD1 LEU 88 2.918 14.161 5.047 748 HD13 LEU 88 3HD1 LEU 88 3.980 12.761 5.138 749 HD21 LEU 88 3HD2 LEU 88 1.362 10.202 4.504 750 HD22 LEU 88 1HD2 LEU 88 1.885 10.656 6.125 751 HD23 LEU 88 2HD2 LEU 88 3.075 10.445 4.835 752 H GLY 89 H GLY 89 -2.321 12.167 6.618 753 HA2 GLY 89 2HA GLY 89 -4.363 13.054 7.278 754 HA3 GLY 89 3HA GLY 89 -3.642 14.659 7.382 755 H ALA 90 H ALA 90 -3.954 12.230 4.784 756 HA ALA 90 HA ALA 90 -4.636 14.406 2.884 757 HB1 ALA 90 3HB ALA 90 -3.451 13.098 1.197 758 HB2 ALA 90 1HB ALA 90 -3.104 11.836 2.384 759 HB3 ALA 90 2HB ALA 90 -2.393 13.443 2.566 760 H LYS 91 H LYS 91 -5.337 12.868 0.685 761 HA LYS 91 HA LYS 91 -8.108 12.452 1.427 762 HB2 LYS 91 2HB LYS 91 -6.757 12.512 -1.302 763 HB3 LYS 91 3HB LYS 91 -8.501 12.418 -1.037 764 HG2 LYS 91 2HG LYS 91 -8.365 14.603 0.206 765 HG3 LYS 91 3HG LYS 91 -6.665 14.713 -0.269 766 HD2 LYS 91 2HD LYS 91 -7.321 14.731 -2.651 767 HD3 LYS 91 3HD LYS 91 -9.021 14.558 -2.200 768 HE2 LYS 91 2HE LYS 91 -8.917 16.749 -1.043 769 HE3 LYS 91 3HE LYS 91 -7.229 16.913 -1.528 770 HZ1 LYS 91 3HZ LYS 91 -7.947 16.852 -3.842 771 HZ2 LYS 91 1HZ LYS 91 -8.650 18.143 -3.002 772 HZ3 LYS 91 2HZ LYS 91 -9.562 16.764 -3.355 773 H GLN 92 H GLN 92 -9.227 10.752 -0.176 774 HA GLN 92 HA GLN 92 -8.506 8.188 0.968 775 HB2 GLN 92 2HB GLN 92 -10.919 9.079 -0.663 776 HB3 GLN 92 3HB GLN 92 -10.747 7.482 0.058 777 HG2 GLN 92 2HG GLN 92 -10.863 10.101 1.590 778 HG3 GLN 92 3HG GLN 92 -12.198 8.968 1.393 779 HE21 GLN 92 1HE2 GLN 92 -9.117 9.517 2.987 780 HE22 GLN 92 2HE2 GLN 92 -9.308 8.275 4.172 781 H SER 93 H SER 93 -9.429 6.338 -0.742 782 HA SER 93 HA SER 93 -7.623 6.422 -3.086 783 HB2 SER 93 2HB SER 93 -7.120 4.020 -2.606 784 HB3 SER 93 3HB SER 93 -6.610 5.078 -1.294 785 HG SER 93 HG SER 93 -8.586 4.476 -0.219 786 H THR 94 H THR 94 -8.354 5.462 -4.949 787 HA THR 94 HA THR 94 -11.067 4.311 -5.039 788 HB THR 94 HB THR 94 -10.547 5.969 -6.794 789 HG1 THR 94 HG1 THR 94 -10.611 3.958 -8.542 790 HG21 THR 94 3HG2 THR 94 -8.336 4.080 -7.693 791 HG22 THR 94 1HG2 THR 94 -8.103 5.685 -6.995 792 HG23 THR 94 2HG2 THR 94 -8.880 5.509 -8.572 793 H THR 95 H THR 95 -11.372 2.128 -5.736 794 HA THR 95 HA THR 95 -8.961 0.400 -5.608 795 HB THR 95 HB THR 95 -10.182 -1.261 -4.257 796 HG1 THR 95 HG1 THR 95 -12.317 -0.927 -4.796 797 HG21 THR 95 3HG2 THR 95 -10.352 1.481 -2.959 798 HG22 THR 95 1HG2 THR 95 -8.920 0.454 -2.998 799 HG23 THR 95 2HG2 THR 95 -10.351 -0.064 -2.103 800 H THR 96 H THR 96 -8.862 -1.178 -7.052 801 HA THR 96 HA THR 96 -11.286 -2.183 -8.402 802 HB THR 96 HB THR 96 -8.425 -2.182 -9.485 803 HG1 THR 96 HG1 THR 96 -9.619 -0.108 -9.420 804 HG21 THR 96 3HG2 THR 96 -9.450 -2.951 -11.603 805 HG22 THR 96 1HG2 THR 96 -11.035 -3.010 -10.827 806 HG23 THR 96 2HG2 THR 96 -9.756 -4.112 -10.310 807 H THR 97 H THR 97 -11.796 -4.033 -7.402 808 HA THR 97 HA THR 97 -9.678 -5.748 -6.256 809 HB THR 97 HB THR 97 -11.302 -4.965 -4.591 810 HG1 THR 97 HG1 THR 97 -11.819 -7.722 -5.072 811 HG21 THR 97 3HG2 THR 97 -13.436 -6.405 -6.199 812 HG22 THR 97 1HG2 THR 97 -13.294 -4.655 -6.030 813 HG23 THR 97 2HG2 THR 97 -13.661 -5.649 -4.620 814 H ASP 98 H ASP 98 -9.394 -7.753 -6.991 815 HA ASP 98 HA ASP 98 -9.535 -9.692 -8.132 816 HB2 ASP 98 2HB ASP 98 -11.855 -9.680 -6.903 817 HB3 ASP 98 3HB ASP 98 -12.537 -9.254 -8.467 818 H GLY 99 H GLY 99 -11.263 -10.358 -10.460 819 HA2 GLY 99 2HA GLY 99 -11.439 -10.001 -12.726 820 HA3 GLY 99 3HA GLY 99 -10.908 -8.339 -12.488 821 H ASP 100 H ASP 100 -8.659 -7.935 -12.201 822 HA ASP 100 HA ASP 100 -6.704 -10.037 -12.615 823 HB2 ASP 100 2HB ASP 100 -7.152 -9.488 -14.950 824 HB3 ASP 100 3HB ASP 100 -7.049 -7.766 -14.616 825 H THR 101 H THR 101 -5.373 -9.642 -10.975 826 HA THR 101 HA THR 101 -3.955 -8.698 -9.501 827 HB THR 101 HB THR 101 -4.047 -6.250 -11.323 828 HG1 THR 101 HG1 THR 101 -3.358 -8.109 -12.406 829 HG21 THR 101 3HG2 THR 101 -1.921 -7.040 -9.287 830 HG22 THR 101 1HG2 THR 101 -3.074 -5.714 -9.086 831 HG23 THR 101 2HG2 THR 101 -1.863 -5.646 -10.367 832 H PHE 102 H PHE 102 -4.047 -7.493 -7.548 833 HA PHE 102 HA PHE 102 -6.573 -6.082 -7.020 834 HB2 PHE 102 2HB PHE 102 -5.899 -7.936 -5.438 835 HB3 PHE 102 3HB PHE 102 -4.451 -7.018 -5.019 836 HD1 PHE 102 HD2 PHE 102 -8.179 -6.698 -5.139 837 HD2 PHE 102 HD1 PHE 102 -4.555 -5.477 -3.208 838 HE1 PHE 102 HE2 PHE 102 -9.477 -5.428 -3.488 839 HE2 PHE 102 HE1 PHE 102 -5.875 -4.226 -1.575 840 HZ PHE 102 HZ PHE 102 -8.323 -4.189 -1.708 841 H GLU 103 H GLU 103 -6.479 -3.919 -7.381 842 HA GLU 103 HA GLU 103 -3.998 -2.440 -6.726 843 HB2 GLU 103 2HB GLU 103 -5.914 -1.917 -9.031 844 HB3 GLU 103 3HB GLU 103 -4.590 -0.847 -8.565 845 HG2 GLU 103 2HG GLU 103 -3.015 -2.794 -8.990 846 HG3 GLU 103 3HG GLU 103 -4.392 -3.652 -9.692 847 H VAL 104 H VAL 104 -4.389 -1.270 -4.930 848 HA VAL 104 HA VAL 104 -6.844 0.407 -4.777 849 HB VAL 104 HB VAL 104 -4.742 -0.211 -2.633 850 HG11 VAL 104 1HG1 VAL 104 -7.306 1.413 -2.380 851 HG12 VAL 104 2HG1 VAL 104 -5.663 2.048 -2.292 852 HG13 VAL 104 3HG1 VAL 104 -6.254 0.959 -1.035 853 HG21 VAL 104 3HG2 VAL 104 -7.621 -1.159 -2.853 854 HG22 VAL 104 1HG2 VAL 104 -6.531 -1.491 -1.504 855 HG23 VAL 104 2HG2 VAL 104 -6.182 -2.149 -3.104 856 H GLU 105 H GLU 105 -6.407 2.261 -5.968 857 HA GLU 105 HA GLU 105 -3.722 3.465 -5.924 858 HB2 GLU 105 2HB GLU 105 -6.193 4.214 -7.542 859 HB3 GLU 105 3HB GLU 105 -4.587 4.913 -7.736 860 HG2 GLU 105 2HG GLU 105 -3.710 2.724 -8.454 861 HG3 GLU 105 3HG GLU 105 -5.310 2.005 -8.234 862 H VAL 106 H VAL 106 -3.325 4.894 -4.350 863 HA VAL 106 HA VAL 106 -5.556 6.299 -3.022 864 HB VAL 106 HB VAL 106 -2.696 6.265 -1.981 865 HG11 VAL 106 1HG1 VAL 106 -5.377 6.407 -0.546 866 HG12 VAL 106 2HG1 VAL 106 -4.304 7.769 -0.875 867 HG13 VAL 106 3HG1 VAL 106 -3.787 6.487 0.220 868 HG21 VAL 106 3HG2 VAL 106 -3.216 3.902 -2.422 869 HG22 VAL 106 1HG2 VAL 106 -4.718 4.044 -1.505 870 HG23 VAL 106 2HG2 VAL 106 -3.164 4.214 -0.687 871 H ILE 107 H ILE 107 -5.931 8.240 -3.963 872 HA ILE 107 HA ILE 107 -3.711 9.777 -5.146 873 HB ILE 107 HB ILE 107 -6.719 10.270 -5.302 874 HG12 ILE 107 2HG1 ILE 107 -6.067 8.194 -6.478 875 HG13 ILE 107 3HG1 ILE 107 -6.543 9.429 -7.636 876 HG21 ILE 107 1HG2 ILE 107 -5.481 12.372 -5.584 877 HG22 ILE 107 2HG2 ILE 107 -6.169 11.870 -7.128 878 HG23 ILE 107 3HG2 ILE 107 -4.449 11.633 -6.811 879 HD11 ILE 107 3HD1 ILE 107 -4.174 9.860 -8.132 880 HD12 ILE 107 1HD1 ILE 107 -4.632 8.182 -8.411 881 HD13 ILE 107 2HD1 ILE 107 -3.713 8.608 -6.971 882 H LEU 108 H LEU 108 -2.650 10.767 -3.544 883 HA LEU 108 HA LEU 108 -4.084 12.158 -1.376 884 HB2 LEU 108 2HB LEU 108 -1.095 11.692 -1.747 885 HB3 LEU 108 3HB LEU 108 -1.894 12.252 -0.285 886 HG LEU 108 HG LEU 108 -2.202 9.462 -1.485 887 HD11 LEU 108 1HD1 LEU 108 -0.618 10.347 0.941 888 HD12 LEU 108 2HD1 LEU 108 0.045 9.799 -0.601 889 HD13 LEU 108 3HD1 LEU 108 -0.868 8.682 0.408 890 HD21 LEU 108 3HD2 LEU 108 -4.207 10.155 -0.259 891 HD22 LEU 108 1HD2 LEU 108 -3.226 10.567 1.148 892 HD23 LEU 108 2HD2 LEU 108 -3.344 8.892 0.612 893 H GLU 109 H GLU 109 -4.769 14.104 -2.273 894 HA GLU 109 HA GLU 109 -2.902 15.703 -3.880 895 HB2 GLU 109 2HB GLU 109 -5.817 16.214 -3.180 896 HB3 GLU 109 3HB GLU 109 -4.841 17.188 -4.279 897 HG2 GLU 109 2HG GLU 109 -4.598 15.268 -5.806 898 HG3 GLU 109 3HG GLU 109 -5.528 14.251 -4.704 899 H LEU 110 H LEU 110 -1.405 16.123 -2.229 900 HA LEU 110 HA LEU 110 -2.126 17.614 0.124 901 HB2 LEU 110 2HB LEU 110 0.596 17.149 -1.166 902 HB3 LEU 110 3HB LEU 110 0.371 18.007 0.347 903 HG LEU 110 HG LEU 110 0.983 15.888 1.104 904 HD11 LEU 110 1HD1 LEU 110 -2.030 15.683 0.969 905 HD12 LEU 110 2HD1 LEU 110 -1.091 16.597 2.161 906 HD13 LEU 110 3HD1 LEU 110 -0.953 14.843 2.097 907 HD21 LEU 110 3HD2 LEU 110 0.237 13.735 0.201 908 HD22 LEU 110 1HD2 LEU 110 1.044 14.712 -1.027 909 HD23 LEU 110 2HD2 LEU 110 -0.717 14.572 -1.032 910 H GLU 111 H GLU 111 -0.243 18.486 -2.758 911 HA GLU 111 HA GLU 111 -0.037 20.303 -4.029 912 HB2 GLU 111 2HB GLU 111 -2.841 20.910 -3.078 913 HB3 GLU 111 3HB GLU 111 -2.082 21.640 -4.489 914 HG2 GLU 111 2HG GLU 111 -2.809 18.708 -4.127 915 HG3 GLU 111 3HG GLU 111 -3.630 19.874 -5.163 916 H HIS 112 H HIS 112 0.258 20.618 -0.870 917 HA HIS 112 HA HIS 112 0.017 23.460 -0.446 918 HB2 HIS 112 2HB HIS 112 -0.184 21.408 1.289 919 HB3 HIS 112 3HB HIS 112 1.547 21.658 1.453 920 HD1 HIS 112 HD1 HIS 112 -1.676 22.847 2.632 921 HD2 HIS 112 HD2 HIS 112 2.166 24.408 2.423 922 HE1 HIS 112 HE1 HIS 112 -1.651 24.795 4.220 923 HE2 HIS 112 HE2 HIS 112 0.623 25.836 3.899 924 H HIS 113 H HIS 113 2.222 21.502 -1.969 925 HA HIS 113 HA HIS 113 4.052 23.621 -2.462 926 HB2 HIS 113 2HB HIS 113 6.128 22.477 -1.674 927 HB3 HIS 113 3HB HIS 113 5.066 22.878 -0.336 928 HD1 HIS 113 HD1 HIS 113 6.933 20.121 -1.809 929 HD2 HIS 113 HD2 HIS 113 3.633 20.492 0.690 930 HE1 HIS 113 HE1 HIS 113 6.670 17.880 -0.698 931 HE2 HIS 113 HE2 HIS 113 4.809 18.223 0.967 932 H HIS 114 H HIS 114 2.680 22.859 -4.333 933 HA HIS 114 HA HIS 114 3.477 20.395 -5.663 934 HB2 HIS 114 2HB HIS 114 1.109 21.224 -5.792 935 HB3 HIS 114 3HB HIS 114 1.668 22.636 -6.676 936 HD1 HIS 114 HD1 HIS 114 0.567 19.161 -7.160 937 HD2 HIS 114 HD2 HIS 114 2.628 22.015 -9.373 938 HE1 HIS 114 HE1 HIS 114 0.564 18.323 -9.527 939 HE2 HIS 114 HE2 HIS 114 1.794 20.083 -10.844 940 H HIS 115 H HIS 115 5.753 20.938 -5.761 941 HA HIS 115 HA HIS 115 7.616 21.238 -7.008 942 HB2 HIS 115 2HB HIS 115 5.969 20.761 -8.948 943 HB3 HIS 115 3HB HIS 115 5.963 22.493 -9.235 944 HD1 HIS 115 HD1 HIS 115 7.185 22.617 -11.412 945 HD2 HIS 115 HD2 HIS 115 9.145 20.206 -8.654 946 HE1 HIS 115 HE1 HIS 115 9.307 21.885 -12.534 947 HE2 HIS 115 HE2 HIS 115 10.489 20.455 -10.838 948 H HIS 116 H HIS 116 9.063 22.760 -6.420 949 HA HIS 116 HA HIS 116 8.385 25.176 -5.232 950 HB2 HIS 116 2HB HIS 116 10.454 23.941 -4.723 951 HB3 HIS 116 3HB HIS 116 11.097 24.313 -6.316 952 HD1 HIS 116 HD1 HIS 116 12.858 26.070 -6.120 953 HD2 HIS 116 HD2 HIS 116 9.807 26.679 -3.351 954 HE1 HIS 116 HE1 HIS 116 13.495 28.139 -4.846 955 HE2 HIS 116 HE2 HIS 116 11.567 28.566 -3.287 956 H HIS 117 H HIS 117 9.671 24.641 -8.508 957 HA HIS 117 HA HIS 117 8.487 27.231 -9.326 958 HB2 HIS 117 2HB HIS 117 11.248 26.174 -9.926 959 HB3 HIS 117 3HB HIS 117 10.425 27.040 -11.213 960 HD1 HIS 117 HD1 HIS 117 10.412 29.544 -11.104 961 HD2 HIS 117 HD2 HIS 117 11.742 27.807 -7.566 962 HE1 HIS 117 HE1 HIS 117 11.299 31.445 -9.709 963 HE2 HIS 117 HE2 HIS 117 11.895 30.378 -7.510 Start of MODEL 5 1 H1 MET 1 1H MET 1 6.200 -13.034 2.643 2 H2 MET 1 2H MET 1 6.346 -14.688 2.947 3 H3 MET 1 3H MET 1 6.252 -14.124 1.358 4 HA MET 1 HA MET 1 8.349 -12.982 1.587 5 HB2 MET 1 2HB MET 1 8.287 -14.252 4.349 6 HB3 MET 1 3HB MET 1 9.750 -13.596 3.637 7 HG2 MET 1 2HG MET 1 8.888 -11.368 3.732 8 HG3 MET 1 3HG MET 1 7.273 -11.951 4.150 9 HE1 MET 1 3HE MET 1 11.057 -11.833 5.446 10 HE2 MET 1 1HE MET 1 10.598 -13.523 5.661 11 HE3 MET 1 2HE MET 1 10.847 -12.491 7.067 12 H ALA 2 H ALA 2 7.966 -16.134 3.266 13 HA ALA 2 HA ALA 2 10.311 -17.212 2.002 14 HB1 ALA 2 3HB ALA 2 9.763 -17.730 4.345 15 HB2 ALA 2 1HB ALA 2 9.858 -19.203 3.379 16 HB3 ALA 2 2HB ALA 2 8.285 -18.545 3.830 17 H GLY 3 H GLY 3 9.717 -17.112 -0.217 18 HA2 GLY 3 2HA GLY 3 9.255 -18.111 -2.216 19 HA3 GLY 3 3HA GLY 3 9.098 -19.607 -1.318 20 H LYS 4 H LYS 4 7.345 -16.892 -2.735 21 HA LYS 4 HA LYS 4 4.913 -18.488 -2.807 22 HB2 LYS 4 2HB LYS 4 4.922 -17.126 -0.603 23 HB3 LYS 4 3HB LYS 4 4.752 -15.687 -1.602 24 HG2 LYS 4 2HG LYS 4 2.587 -16.395 -0.732 25 HG3 LYS 4 3HG LYS 4 2.614 -16.554 -2.492 26 HD2 LYS 4 2HD LYS 4 3.019 -18.989 -2.261 27 HD3 LYS 4 3HD LYS 4 3.007 -18.831 -0.501 28 HE2 LYS 4 2HE LYS 4 0.654 -18.086 -0.600 29 HE3 LYS 4 3HE LYS 4 0.675 -18.249 -2.357 30 HZ1 LYS 4 3HZ LYS 4 1.031 -20.610 -2.124 31 HZ2 LYS 4 1HZ LYS 4 -0.339 -20.158 -1.244 32 HZ3 LYS 4 2HZ LYS 4 1.112 -20.483 -0.440 33 H GLU 5 H GLU 5 3.252 -17.534 -4.193 34 HA GLU 5 HA GLU 5 4.472 -16.447 -6.611 35 HB2 GLU 5 2HB GLU 5 1.645 -17.521 -6.164 36 HB3 GLU 5 3HB GLU 5 2.387 -17.171 -7.721 37 HG2 GLU 5 2HG GLU 5 2.401 -19.549 -7.443 38 HG3 GLU 5 3HG GLU 5 4.064 -18.992 -7.261 39 H LEU 6 H LEU 6 3.045 -15.109 -3.963 40 HA LEU 6 HA LEU 6 1.215 -13.240 -5.224 41 HB2 LEU 6 2HB LEU 6 2.135 -13.737 -2.380 42 HB3 LEU 6 3HB LEU 6 1.212 -12.299 -2.784 43 HG LEU 6 HG LEU 6 -0.724 -13.607 -3.425 44 HD11 LEU 6 1HD1 LEU 6 0.322 -15.518 -4.504 45 HD12 LEU 6 2HD1 LEU 6 -0.835 -16.049 -3.288 46 HD13 LEU 6 3HD1 LEU 6 0.895 -16.114 -2.948 47 HD21 LEU 6 3HD2 LEU 6 -0.474 -13.126 -1.049 48 HD22 LEU 6 1HD2 LEU 6 0.410 -14.637 -0.817 49 HD23 LEU 6 2HD2 LEU 6 -1.291 -14.668 -1.291 50 H ARG 7 H ARG 7 2.283 -11.860 -6.507 51 HA ARG 7 HA ARG 7 4.869 -10.728 -5.721 52 HB2 ARG 7 2HB ARG 7 3.417 -10.477 -8.386 53 HB3 ARG 7 3HB ARG 7 5.109 -10.110 -8.053 54 HG2 ARG 7 2HG ARG 7 5.454 -12.547 -7.505 55 HG3 ARG 7 3HG ARG 7 3.799 -12.842 -8.032 56 HD2 ARG 7 2HD ARG 7 4.408 -11.976 -10.295 57 HD3 ARG 7 3HD ARG 7 6.075 -11.787 -9.746 58 HE ARG 7 HE ARG 7 4.788 -14.186 -10.595 59 HH11 ARG 7 1HH1 ARG 7 7.297 -13.064 -8.375 60 HH12 ARG 7 2HH1 ARG 7 8.124 -14.591 -8.374 61 HH21 ARG 7 1HH2 ARG 7 5.887 -16.149 -10.568 62 HH22 ARG 7 2HH2 ARG 7 7.325 -16.326 -9.610 63 H VAL 8 H VAL 8 4.806 -8.898 -4.639 64 HA VAL 8 HA VAL 8 2.517 -7.050 -4.886 65 HB VAL 8 HB VAL 8 4.732 -6.903 -2.770 66 HG11 VAL 8 1HG1 VAL 8 3.038 -5.651 -1.478 67 HG12 VAL 8 2HG1 VAL 8 1.880 -5.834 -2.798 68 HG13 VAL 8 3HG1 VAL 8 3.350 -4.884 -3.037 69 HG21 VAL 8 3HG2 VAL 8 3.706 -9.152 -2.631 70 HG22 VAL 8 1HG2 VAL 8 2.113 -8.415 -2.475 71 HG23 VAL 8 2HG2 VAL 8 3.323 -8.168 -1.218 72 H GLU 9 H GLU 9 2.849 -5.316 -6.175 73 HA GLU 9 HA GLU 9 5.564 -4.131 -6.440 74 HB2 GLU 9 2HB GLU 9 3.193 -4.010 -8.369 75 HB3 GLU 9 3HB GLU 9 4.712 -3.145 -8.593 76 HG2 GLU 9 2HG GLU 9 5.910 -5.302 -8.766 77 HG3 GLU 9 3HG GLU 9 4.386 -6.158 -8.535 78 H ILE 10 H ILE 10 5.446 -2.684 -4.681 79 HA ILE 10 HA ILE 10 3.180 -0.819 -4.530 80 HB ILE 10 HB ILE 10 5.714 -0.933 -2.806 81 HG12 ILE 10 2HG1 ILE 10 4.304 -2.965 -2.503 82 HG13 ILE 10 3HG1 ILE 10 4.325 -1.971 -1.053 83 HG21 ILE 10 1HG2 ILE 10 4.505 0.578 -1.267 84 HG22 ILE 10 2HG2 ILE 10 3.150 0.657 -2.393 85 HG23 ILE 10 3HG2 ILE 10 4.720 1.319 -2.854 86 HD11 ILE 10 3HD1 ILE 10 2.086 -2.119 -3.071 87 HD12 ILE 10 1HD1 ILE 10 2.096 -1.115 -1.618 88 HD13 ILE 10 2HD1 ILE 10 2.122 -2.871 -1.478 89 H LYS 11 H LYS 11 3.279 0.884 -5.858 90 HA LYS 11 HA LYS 11 5.855 2.027 -6.721 91 HB2 LYS 11 2HB LYS 11 4.156 1.022 -8.429 92 HB3 LYS 11 3HB LYS 11 3.172 2.439 -8.113 93 HG2 LYS 11 2HG LYS 11 6.028 2.561 -9.143 94 HG3 LYS 11 3HG LYS 11 4.611 2.551 -10.190 95 HD2 LYS 11 2HD LYS 11 3.862 4.688 -9.296 96 HD3 LYS 11 3HD LYS 11 5.132 4.669 -8.072 97 HE2 LYS 11 2HE LYS 11 6.835 4.801 -9.889 98 HE3 LYS 11 3HE LYS 11 5.528 4.922 -11.071 99 HZ1 LYS 11 3HZ LYS 11 4.783 6.953 -9.940 100 HZ2 LYS 11 1HZ LYS 11 6.365 7.098 -10.529 101 HZ3 LYS 11 2HZ LYS 11 6.097 6.847 -8.878 102 H ILE 12 H ILE 12 6.360 3.913 -5.773 103 HA ILE 12 HA ILE 12 4.217 5.698 -4.741 104 HB ILE 12 HB ILE 12 7.215 5.852 -4.123 105 HG12 ILE 12 2HG1 ILE 12 6.373 3.699 -3.268 106 HG13 ILE 12 3HG1 ILE 12 6.709 4.781 -1.924 107 HG21 ILE 12 1HG2 ILE 12 6.509 7.278 -2.215 108 HG22 ILE 12 2HG2 ILE 12 4.833 7.168 -2.755 109 HG23 ILE 12 3HG2 ILE 12 6.034 7.971 -3.768 110 HD11 ILE 12 3HD1 ILE 12 4.288 5.245 -1.739 111 HD12 ILE 12 1HD1 ILE 12 4.687 3.541 -1.528 112 HD13 ILE 12 2HD1 ILE 12 3.995 4.097 -3.050 113 H ASP 13 H ASP 13 3.978 7.729 -5.700 114 HA ASP 13 HA ASP 13 5.790 8.440 -7.927 115 HB2 ASP 13 2HB ASP 13 3.414 8.382 -8.482 116 HB3 ASP 13 3HB ASP 13 3.030 9.467 -7.154 117 H CYS 14 H CYS 14 7.526 9.455 -7.093 118 HA CYS 14 HA CYS 14 7.259 12.041 -5.800 119 HB2 CYS 14 2HB CYS 14 7.247 10.537 -3.843 120 HB3 CYS 14 3HB CYS 14 8.741 9.786 -4.385 121 HG CYS 14 HG CYS 14 8.259 12.808 -2.937 122 H GLY 15 H GLY 15 9.395 9.389 -6.778 123 HA2 GLY 15 2HA GLY 15 11.616 11.082 -7.527 124 HA3 GLY 15 3HA GLY 15 11.438 9.362 -7.840 125 H ASN 16 H ASN 16 9.996 12.456 -8.802 126 HA ASN 16 HA ASN 16 8.935 11.663 -11.296 127 HB2 ASN 16 2HB ASN 16 8.719 14.102 -11.741 128 HB3 ASN 16 3HB ASN 16 8.185 13.695 -10.115 129 HD21 ASN 16 1HD2 ASN 16 10.698 15.267 -11.989 130 HD22 ASN 16 2HD2 ASN 16 11.408 16.127 -10.668 131 H ASP 17 H ASP 17 12.108 12.583 -10.318 132 HA ASP 17 HA ASP 17 13.204 13.072 -12.945 133 HB2 ASP 17 2HB ASP 17 13.999 14.256 -10.890 134 HB3 ASP 17 3HB ASP 17 14.546 12.733 -10.210 135 H ASP 18 H ASP 18 12.216 10.916 -13.609 136 HA ASP 18 HA ASP 18 12.584 8.970 -14.687 137 HB2 ASP 18 2HB ASP 18 14.717 10.192 -15.315 138 HB3 ASP 18 3HB ASP 18 15.533 9.368 -13.996 139 H LYS 19 H LYS 19 12.438 8.988 -11.501 140 HA LYS 19 HA LYS 19 13.735 6.377 -10.967 141 HB2 LYS 19 2HB LYS 19 14.403 8.267 -9.495 142 HB3 LYS 19 3HB LYS 19 12.730 8.474 -8.989 143 HG2 LYS 19 2HG LYS 19 12.756 6.205 -7.983 144 HG3 LYS 19 3HG LYS 19 14.436 6.005 -8.490 145 HD2 LYS 19 2HD LYS 19 15.099 7.899 -7.026 146 HD3 LYS 19 3HD LYS 19 13.417 8.108 -6.531 147 HE2 LYS 19 2HE LYS 19 14.683 6.877 -4.826 148 HE3 LYS 19 3HE LYS 19 13.425 5.859 -5.522 149 HZ1 LYS 19 3HZ LYS 19 15.124 4.811 -6.912 150 HZ2 LYS 19 1HZ LYS 19 15.477 4.639 -5.269 151 HZ3 LYS 19 2HZ LYS 19 16.319 5.768 -6.200 152 H GLU 20 H GLU 20 12.181 4.930 -11.727 153 HA GLU 20 HA GLU 20 9.496 4.854 -10.650 154 HB2 GLU 20 2HB GLU 20 9.464 2.506 -11.588 155 HB3 GLU 20 3HB GLU 20 9.868 3.734 -12.781 156 HG2 GLU 20 2HG GLU 20 12.272 3.145 -12.545 157 HG3 GLU 20 3HG GLU 20 11.838 1.885 -11.394 158 H THR 21 H THR 21 9.113 4.414 -8.531 159 HA THR 21 HA THR 21 11.069 2.849 -6.957 160 HB THR 21 HB THR 21 9.823 3.693 -4.953 161 HG1 THR 21 HG1 THR 21 8.454 5.520 -6.607 162 HG21 THR 21 3HG2 THR 21 10.543 6.038 -5.050 163 HG22 THR 21 1HG2 THR 21 10.695 5.941 -6.808 164 HG23 THR 21 2HG2 THR 21 11.766 4.994 -5.773 165 H THR 22 H THR 22 10.626 0.736 -6.921 166 HA THR 22 HA THR 22 7.842 -0.188 -6.506 167 HB THR 22 HB THR 22 8.537 -2.333 -7.725 168 HG1 THR 22 HG1 THR 22 10.889 -1.471 -7.646 169 HG21 THR 22 3HG2 THR 22 7.069 -0.660 -8.805 170 HG22 THR 22 1HG2 THR 22 8.135 -1.433 -9.981 171 HG23 THR 22 2HG2 THR 22 8.488 0.199 -9.410 172 H TYR 23 H TYR 23 7.559 -1.581 -4.863 173 HA TYR 23 HA TYR 23 9.916 -2.684 -3.433 174 HB2 TYR 23 2HB TYR 23 7.214 -1.873 -2.260 175 HB3 TYR 23 3HB TYR 23 8.587 -2.496 -1.350 176 HD1 TYR 23 HD1 TYR 23 7.212 0.454 -3.115 177 HD2 TYR 23 HD2 TYR 23 10.502 -1.007 -0.805 178 HE1 TYR 23 HE1 TYR 23 7.984 2.754 -2.771 179 HE2 TYR 23 HE2 TYR 23 11.273 1.311 -0.462 180 HH TYR 23 HH TYR 23 9.331 4.030 -1.208 181 H ASP 24 H ASP 24 9.978 -4.857 -3.486 182 HA ASP 24 HA ASP 24 7.546 -6.408 -4.128 183 HB2 ASP 24 2HB ASP 24 9.067 -8.221 -4.854 184 HB3 ASP 24 3HB ASP 24 9.347 -6.739 -5.752 185 H LEU 25 H LEU 25 6.589 -7.331 -2.470 186 HA LEU 25 HA LEU 25 8.033 -7.459 0.113 187 HB2 LEU 25 2HB LEU 25 5.044 -7.210 -0.386 188 HB3 LEU 25 3HB LEU 25 5.876 -7.039 1.151 189 HG LEU 25 HG LEU 25 6.044 -5.140 -1.218 190 HD11 LEU 25 1HD1 LEU 25 3.969 -4.978 0.049 191 HD12 LEU 25 2HD1 LEU 25 4.958 -3.536 0.254 192 HD13 LEU 25 3HD1 LEU 25 4.877 -4.738 1.546 193 HD21 LEU 25 3HD2 LEU 25 8.246 -5.227 -0.145 194 HD22 LEU 25 1HD2 LEU 25 7.517 -4.938 1.440 195 HD23 LEU 25 2HD2 LEU 25 7.462 -3.688 0.195 196 H TYR 26 H TYR 26 5.559 -9.105 -1.787 197 HA TYR 26 HA TYR 26 4.772 -11.175 -1.948 198 HB2 TYR 26 2HB TYR 26 7.573 -11.814 -0.985 199 HB3 TYR 26 3HB TYR 26 6.421 -13.096 -1.335 200 HD1 TYR 26 HD2 TYR 26 7.963 -10.041 -2.929 201 HD2 TYR 26 HD1 TYR 26 6.261 -13.916 -3.556 202 HE1 TYR 26 HE2 TYR 26 8.506 -9.896 -5.321 203 HE2 TYR 26 HE1 TYR 26 6.806 -13.759 -5.946 204 HH TYR 26 HH TYR 26 8.885 -11.461 -7.230 205 H PHE 27 H PHE 27 3.018 -11.333 -0.690 206 HA PHE 27 HA PHE 27 3.127 -11.826 2.168 207 HB2 PHE 27 2HB PHE 27 1.217 -10.576 1.204 208 HB3 PHE 27 3HB PHE 27 0.804 -11.937 0.171 209 HD1 PHE 27 HD2 PHE 27 0.752 -10.675 3.655 210 HD2 PHE 27 HD1 PHE 27 -0.438 -13.865 1.086 211 HE1 PHE 27 HE2 PHE 27 -0.717 -11.575 5.413 212 HE2 PHE 27 HE1 PHE 27 -1.899 -14.747 2.845 213 HZ PHE 27 HZ PHE 27 -2.034 -13.606 5.016 214 H SER 28 H SER 28 3.021 -13.815 3.148 215 HA SER 28 HA SER 28 1.814 -16.091 1.796 216 HB2 SER 28 2HB SER 28 3.714 -17.649 2.470 217 HB3 SER 28 3HB SER 28 4.104 -16.534 1.164 218 HG SER 28 HG SER 28 4.702 -15.838 3.825 219 H LYS 29 H LYS 29 2.851 -14.428 4.685 220 HA LYS 29 HA LYS 29 0.962 -16.031 6.293 221 HB2 LYS 29 2HB LYS 29 3.759 -15.194 7.202 222 HB3 LYS 29 3HB LYS 29 2.532 -15.892 8.253 223 HG2 LYS 29 2HG LYS 29 2.578 -17.975 6.899 224 HG3 LYS 29 3HG LYS 29 3.833 -17.262 5.880 225 HD2 LYS 29 2HD LYS 29 5.362 -17.148 7.822 226 HD3 LYS 29 3HD LYS 29 4.099 -17.820 8.862 227 HE2 LYS 29 2HE LYS 29 4.102 -19.894 7.478 228 HE3 LYS 29 3HE LYS 29 5.412 -19.220 6.507 229 HZ1 LYS 29 3HZ LYS 29 6.203 -20.746 8.208 230 HZ2 LYS 29 1HZ LYS 29 5.560 -19.762 9.419 231 HZ3 LYS 29 2HZ LYS 29 6.816 -19.191 8.444 232 H ALA 30 H ALA 30 0.099 -14.904 8.086 233 HA ALA 30 HA ALA 30 -0.832 -12.317 7.428 234 HB1 ALA 30 3HB ALA 30 -2.208 -13.974 8.595 235 HB2 ALA 30 1HB ALA 30 -2.108 -12.490 9.542 236 HB3 ALA 30 2HB ALA 30 -1.150 -13.901 10.003 237 H GLU 31 H GLU 31 1.536 -13.467 9.762 238 HA GLU 31 HA GLU 31 1.884 -11.104 11.277 239 HB2 GLU 31 2HB GLU 31 2.588 -13.339 12.082 240 HB3 GLU 31 3HB GLU 31 3.794 -13.435 10.805 241 HG2 GLU 31 2HG GLU 31 4.904 -12.886 12.873 242 HG3 GLU 31 3HG GLU 31 4.971 -11.484 11.812 243 H GLU 32 H GLU 32 3.461 -12.405 8.394 244 HA GLU 32 HA GLU 32 5.537 -10.542 8.038 245 HB2 GLU 32 2HB GLU 32 3.939 -11.905 5.831 246 HB3 GLU 32 3HB GLU 32 5.569 -11.251 5.701 247 HG2 GLU 32 2HG GLU 32 6.437 -13.002 7.162 248 HG3 GLU 32 3HG GLU 32 4.803 -13.608 7.453 249 H ALA 33 H ALA 33 2.140 -10.565 6.982 250 HA ALA 33 HA ALA 33 2.096 -8.491 5.141 251 HB1 ALA 33 3HB ALA 33 0.200 -10.020 5.523 252 HB2 ALA 33 1HB ALA 33 -0.322 -8.341 5.573 253 HB3 ALA 33 2HB ALA 33 -0.130 -9.254 7.074 254 H LYS 34 H LYS 34 1.473 -8.336 8.636 255 HA LYS 34 HA LYS 34 0.960 -5.546 8.741 256 HB2 LYS 34 2HB LYS 34 0.084 -7.093 10.419 257 HB3 LYS 34 3HB LYS 34 1.708 -7.557 10.907 258 HG2 LYS 34 2HG LYS 34 2.104 -5.350 11.881 259 HG3 LYS 34 3HG LYS 34 0.558 -4.764 11.256 260 HD2 LYS 34 2HD LYS 34 0.502 -5.320 13.698 261 HD3 LYS 34 3HD LYS 34 -0.679 -6.221 12.746 262 HE2 LYS 34 2HE LYS 34 0.391 -7.673 14.405 263 HE3 LYS 34 3HE LYS 34 0.811 -8.202 12.779 264 HZ1 LYS 34 3HZ LYS 34 2.515 -6.682 14.672 265 HZ2 LYS 34 1HZ LYS 34 2.922 -6.959 13.057 266 HZ3 LYS 34 2HZ LYS 34 2.752 -8.262 14.119 267 H GLU 35 H GLU 35 3.944 -7.421 8.946 268 HA GLU 35 HA GLU 35 5.637 -5.354 9.968 269 HB2 GLU 35 2HB GLU 35 6.170 -7.842 9.945 270 HB3 GLU 35 3HB GLU 35 6.482 -7.700 8.218 271 HG2 GLU 35 2HG GLU 35 8.253 -5.999 8.735 272 HG3 GLU 35 3HG GLU 35 7.989 -6.296 10.452 273 H LEU 36 H LEU 36 5.043 -6.575 6.634 274 HA LEU 36 HA LEU 36 6.501 -4.558 5.265 275 HB2 LEU 36 2HB LEU 36 4.254 -6.383 4.326 276 HB3 LEU 36 3HB LEU 36 5.002 -5.207 3.264 277 HG LEU 36 HG LEU 36 6.155 -7.113 2.669 278 HD11 LEU 36 1HD1 LEU 36 7.791 -5.412 3.235 279 HD12 LEU 36 2HD1 LEU 36 8.434 -7.030 3.488 280 HD13 LEU 36 3HD1 LEU 36 7.934 -6.058 4.874 281 HD21 LEU 36 3HD2 LEU 36 5.175 -8.657 4.265 282 HD22 LEU 36 1HD2 LEU 36 6.273 -8.088 5.525 283 HD23 LEU 36 2HD2 LEU 36 6.907 -8.924 4.103 284 H LEU 37 H LEU 37 3.280 -4.684 6.545 285 HA LEU 37 HA LEU 37 2.024 -2.597 5.177 286 HB2 LEU 37 2HB LEU 37 0.735 -4.119 6.476 287 HB3 LEU 37 3HB LEU 37 1.640 -3.807 7.931 288 HG LEU 37 HG LEU 37 0.023 -1.497 6.840 289 HD11 LEU 37 1HD1 LEU 37 -1.554 -3.369 6.576 290 HD12 LEU 37 2HD1 LEU 37 -2.060 -2.306 7.886 291 HD13 LEU 37 3HD1 LEU 37 -1.289 -3.852 8.253 292 HD21 LEU 37 3HD2 LEU 37 -0.366 -1.051 9.245 293 HD22 LEU 37 1HD2 LEU 37 1.358 -1.210 8.901 294 HD23 LEU 37 2HD2 LEU 37 0.488 -2.540 9.667 295 H LYS 38 H LYS 38 3.773 -2.540 8.275 296 HA LYS 38 HA LYS 38 3.447 0.294 8.628 297 HB2 LYS 38 2HB LYS 38 4.782 -0.013 10.673 298 HB3 LYS 38 3HB LYS 38 3.487 -1.194 10.554 299 HG2 LYS 38 2HG LYS 38 5.171 -2.878 9.749 300 HG3 LYS 38 3HG LYS 38 6.441 -1.694 10.059 301 HD2 LYS 38 2HD LYS 38 4.567 -2.936 12.111 302 HD3 LYS 38 3HD LYS 38 6.290 -3.257 11.930 303 HE2 LYS 38 2HE LYS 38 5.056 -0.614 12.782 304 HE3 LYS 38 3HE LYS 38 5.873 -1.766 13.836 305 HZ1 LYS 38 3HZ LYS 38 7.102 -0.199 11.637 306 HZ2 LYS 38 1HZ LYS 38 7.899 -1.414 12.500 307 HZ3 LYS 38 2HZ LYS 38 7.370 -0.024 13.295 308 H LYS 39 H LYS 39 5.958 -1.758 7.263 309 HA LYS 39 HA LYS 39 8.054 0.180 7.175 310 HB2 LYS 39 2HB LYS 39 7.581 -2.370 5.580 311 HB3 LYS 39 3HB LYS 39 9.018 -1.368 5.366 312 HG2 LYS 39 2HG LYS 39 9.656 -1.712 7.694 313 HG3 LYS 39 3HG LYS 39 8.186 -2.651 7.987 314 HD2 LYS 39 2HD LYS 39 8.949 -4.372 6.398 315 HD3 LYS 39 3HD LYS 39 10.394 -3.419 6.034 316 HE2 LYS 39 2HE LYS 39 11.150 -3.651 8.357 317 HE3 LYS 39 3HE LYS 39 9.688 -4.560 8.754 318 HZ1 LYS 39 3HZ LYS 39 10.386 -6.265 7.168 319 HZ2 LYS 39 1HZ LYS 39 11.530 -6.035 8.390 320 HZ3 LYS 39 2HZ LYS 39 11.804 -5.401 6.850 321 H VAL 40 H VAL 40 5.697 -0.894 4.709 322 HA VAL 40 HA VAL 40 6.496 0.962 2.702 323 HB VAL 40 HB VAL 40 3.944 -0.674 3.074 324 HG11 VAL 40 1HG1 VAL 40 3.301 1.320 1.782 325 HG12 VAL 40 2HG1 VAL 40 3.309 -0.109 0.748 326 HG13 VAL 40 3HG1 VAL 40 4.638 1.048 0.661 327 HG21 VAL 40 3HG2 VAL 40 6.301 -0.954 1.169 328 HG22 VAL 40 1HG2 VAL 40 4.875 -1.996 1.187 329 HG23 VAL 40 2HG2 VAL 40 5.962 -1.967 2.575 330 H ALA 41 H ALA 41 4.147 1.071 5.333 331 HA ALA 41 HA ALA 41 2.804 3.440 4.647 332 HB1 ALA 41 3HB ALA 41 1.974 1.862 6.334 333 HB2 ALA 41 1HB ALA 41 2.062 3.503 6.975 334 HB3 ALA 41 2HB ALA 41 3.292 2.314 7.419 335 H GLU 42 H GLU 42 5.754 2.956 6.641 336 HA GLU 42 HA GLU 42 6.004 5.754 7.265 337 HB2 GLU 42 2HB GLU 42 8.167 5.191 8.302 338 HB3 GLU 42 3HB GLU 42 6.885 4.120 8.849 339 HG2 GLU 42 2HG GLU 42 7.722 2.318 7.447 340 HG3 GLU 42 3HG GLU 42 8.923 3.389 6.733 341 H LYS 43 H LYS 43 7.588 3.584 4.902 342 HA LYS 43 HA LYS 43 9.558 5.504 4.097 343 HB2 LYS 43 2HB LYS 43 8.707 2.908 2.744 344 HB3 LYS 43 3HB LYS 43 10.087 3.882 2.246 345 HG2 LYS 43 2HG LYS 43 9.756 2.474 4.911 346 HG3 LYS 43 3HG LYS 43 10.808 1.969 3.590 347 HD2 LYS 43 2HD LYS 43 12.142 4.053 3.876 348 HD3 LYS 43 3HD LYS 43 11.084 4.536 5.207 349 HE2 LYS 43 2HE LYS 43 11.770 2.469 6.439 350 HE3 LYS 43 3HE LYS 43 12.908 2.104 5.139 351 HZ1 LYS 43 3HZ LYS 43 12.951 4.552 6.822 352 HZ2 LYS 43 1HZ LYS 43 14.064 4.168 5.613 353 HZ3 LYS 43 2HZ LYS 43 13.973 3.222 7.012 354 H ALA 44 H ALA 44 6.356 4.632 2.876 355 HA ALA 44 HA ALA 44 6.408 6.247 0.511 356 HB1 ALA 44 3HB ALA 44 4.720 4.480 0.828 357 HB2 ALA 44 1HB ALA 44 3.951 6.042 0.548 358 HB3 ALA 44 2HB ALA 44 4.021 5.370 2.181 359 H ALA 45 H ALA 45 5.208 6.746 3.839 360 HA ALA 45 HA ALA 45 4.268 9.369 3.597 361 HB1 ALA 45 3HB ALA 45 5.410 8.034 6.072 362 HB2 ALA 45 1HB ALA 45 3.741 7.936 5.513 363 HB3 ALA 45 2HB ALA 45 4.397 9.484 6.049 364 H ASP 46 H ASP 46 7.536 8.137 4.063 365 HA ASP 46 HA ASP 46 8.880 10.540 4.739 366 HB2 ASP 46 2HB ASP 46 9.745 7.867 3.633 367 HB3 ASP 46 3HB ASP 46 10.888 9.201 3.530 368 H LYS 47 H LYS 47 8.083 9.064 1.608 369 HA LYS 47 HA LYS 47 9.544 10.867 -0.057 370 HB2 LYS 47 2HB LYS 47 7.024 9.322 -0.819 371 HB3 LYS 47 3HB LYS 47 8.261 9.927 -1.908 372 HG2 LYS 47 2HG LYS 47 8.535 7.679 0.086 373 HG3 LYS 47 3HG LYS 47 8.478 7.529 -1.669 374 HD2 LYS 47 2HD LYS 47 10.652 8.731 -1.824 375 HD3 LYS 47 3HD LYS 47 10.693 8.873 -0.063 376 HE2 LYS 47 2HE LYS 47 10.676 6.372 0.086 377 HE3 LYS 47 3HE LYS 47 10.781 6.300 -1.676 378 HZ1 LYS 47 3HZ LYS 47 12.892 7.500 -1.543 379 HZ2 LYS 47 1HZ LYS 47 12.947 6.056 -0.667 380 HZ3 LYS 47 2HZ LYS 47 12.784 7.526 0.143 381 H ILE 48 H ILE 48 6.321 10.832 1.243 382 HA ILE 48 HA ILE 48 5.235 13.111 -0.118 383 HB ILE 48 HB ILE 48 4.292 11.654 2.405 384 HG12 ILE 48 2HG1 ILE 48 3.218 11.225 -0.402 385 HG13 ILE 48 3HG1 ILE 48 4.660 10.374 0.119 386 HG21 ILE 48 1HG2 ILE 48 3.204 13.860 2.179 387 HG22 ILE 48 2HG2 ILE 48 2.047 12.570 1.856 388 HG23 ILE 48 3HG2 ILE 48 2.744 13.481 0.517 389 HD11 ILE 48 3HD1 ILE 48 2.774 8.966 0.319 390 HD12 ILE 48 1HD1 ILE 48 1.917 10.151 1.301 391 HD13 ILE 48 2HD1 ILE 48 3.365 9.362 1.929 392 H LYS 49 H LYS 49 6.869 12.535 2.933 393 HA LYS 49 HA LYS 49 6.657 15.074 4.168 394 HB2 LYS 49 2HB LYS 49 7.414 12.956 5.271 395 HB3 LYS 49 3HB LYS 49 8.889 12.995 4.319 396 HG2 LYS 49 2HG LYS 49 9.471 15.174 5.469 397 HG3 LYS 49 3HG LYS 49 8.074 14.925 6.519 398 HD2 LYS 49 2HD LYS 49 10.514 13.117 6.271 399 HD3 LYS 49 3HD LYS 49 10.094 14.124 7.654 400 HE2 LYS 49 2HE LYS 49 8.157 12.730 8.148 401 HE3 LYS 49 3HE LYS 49 8.396 11.802 6.666 402 HZ1 LYS 49 3HZ LYS 49 9.215 10.623 8.613 403 HZ2 LYS 49 1HZ LYS 49 10.284 11.889 8.959 404 HZ3 LYS 49 2HZ LYS 49 10.481 10.978 7.550 405 H LYS 50 H LYS 50 8.802 13.743 1.707 406 HA LYS 50 HA LYS 50 10.702 15.904 1.623 407 HB2 LYS 50 2HB LYS 50 10.079 13.673 -0.365 408 HB3 LYS 50 3HB LYS 50 11.435 14.787 -0.522 409 HG2 LYS 50 2HG LYS 50 12.430 13.924 1.548 410 HG3 LYS 50 3HG LYS 50 11.037 12.873 1.798 411 HD2 LYS 50 2HD LYS 50 13.005 11.657 0.876 412 HD3 LYS 50 3HD LYS 50 11.593 11.563 -0.179 413 HE2 LYS 50 2HE LYS 50 13.711 11.951 -1.418 414 HE3 LYS 50 3HE LYS 50 12.541 13.247 -1.663 415 HZ1 LYS 50 3HZ LYS 50 14.713 14.160 -1.316 416 HZ2 LYS 50 1HZ LYS 50 14.902 13.317 0.134 417 HZ3 LYS 50 2HZ LYS 50 13.753 14.546 0.015 418 H GLN 51 H GLN 51 7.980 14.903 -0.454 419 HA GLN 51 HA GLN 51 7.970 17.562 -1.785 420 HB2 GLN 51 2HB GLN 51 7.428 14.840 -3.082 421 HB3 GLN 51 3HB GLN 51 7.261 16.392 -3.887 422 HG2 GLN 51 2HG GLN 51 9.854 15.235 -2.836 423 HG3 GLN 51 3HG GLN 51 9.341 15.223 -4.521 424 HE21 GLN 51 1HE2 GLN 51 9.312 17.218 -5.666 425 HE22 GLN 51 2HE2 GLN 51 10.222 18.584 -5.126 426 H GLY 52 H GLY 52 5.919 14.628 -1.663 427 HA2 GLY 52 2HA GLY 52 3.720 14.898 -0.430 428 HA3 GLY 52 3HA GLY 52 3.501 16.341 -1.413 429 H CYS 53 H CYS 53 3.877 12.814 -1.537 430 HA CYS 53 HA CYS 53 3.365 12.467 -4.302 431 HB2 CYS 53 2HB CYS 53 2.861 10.429 -2.100 432 HB3 CYS 53 3HB CYS 53 3.129 10.098 -3.811 433 HG CYS 53 HG CYS 53 5.657 9.866 -3.663 434 H LYS 54 H LYS 54 1.571 13.437 -5.030 435 HA LYS 54 HA LYS 54 -0.980 13.541 -3.782 436 HB2 LYS 54 2HB LYS 54 -1.745 14.430 -5.987 437 HB3 LYS 54 3HB LYS 54 -0.317 15.243 -5.359 438 HG2 LYS 54 2HG LYS 54 1.104 13.821 -6.878 439 HG3 LYS 54 3HG LYS 54 -0.380 13.164 -7.568 440 HD2 LYS 54 2HD LYS 54 0.442 14.889 -9.044 441 HD3 LYS 54 3HD LYS 54 -1.027 15.487 -8.278 442 HE2 LYS 54 2HE LYS 54 1.758 16.191 -7.286 443 HE3 LYS 54 3HE LYS 54 0.892 17.147 -8.485 444 HZ1 LYS 54 3HZ LYS 54 0.059 16.655 -5.677 445 HZ2 LYS 54 1HZ LYS 54 -0.897 17.444 -6.824 446 HZ3 LYS 54 2HZ LYS 54 0.574 18.113 -6.343 447 H ARG 55 H ARG 55 0.578 11.064 -5.526 448 HA ARG 55 HA ARG 55 -1.839 9.427 -5.616 449 HB2 ARG 55 2HB ARG 55 -1.700 10.645 -7.821 450 HB3 ARG 55 3HB ARG 55 -0.119 9.924 -8.096 451 HG2 ARG 55 2HG ARG 55 -1.161 7.667 -8.107 452 HG3 ARG 55 3HG ARG 55 -2.744 8.408 -7.852 453 HD2 ARG 55 2HD ARG 55 -2.386 9.694 -10.015 454 HD3 ARG 55 3HD ARG 55 -0.938 8.716 -10.275 455 HE ARG 55 HE ARG 55 -2.738 6.788 -9.985 456 HH11 ARG 55 1HH1 ARG 55 -2.978 9.743 -11.891 457 HH12 ARG 55 2HH1 ARG 55 -4.047 9.041 -13.060 458 HH21 ARG 55 1HH2 ARG 55 -4.146 5.891 -11.538 459 HH22 ARG 55 2HH2 ARG 55 -4.708 6.867 -12.862 460 H VAL 56 H VAL 56 -1.234 7.633 -4.644 461 HA VAL 56 HA VAL 56 1.412 6.394 -5.145 462 HB VAL 56 HB VAL 56 -0.578 5.995 -2.833 463 HG11 VAL 56 1HG1 VAL 56 1.031 4.412 -1.840 464 HG12 VAL 56 2HG1 VAL 56 2.044 4.519 -3.281 465 HG13 VAL 56 3HG1 VAL 56 0.427 3.822 -3.389 466 HG21 VAL 56 3HG2 VAL 56 2.250 7.116 -2.814 467 HG22 VAL 56 1HG2 VAL 56 1.227 6.871 -1.396 468 HG23 VAL 56 2HG2 VAL 56 0.759 8.045 -2.628 469 H LYS 57 H LYS 57 1.367 4.260 -5.903 470 HA LYS 57 HA LYS 57 -1.247 3.140 -6.754 471 HB2 LYS 57 2HB LYS 57 1.454 3.018 -8.189 472 HB3 LYS 57 3HB LYS 57 -0.010 2.184 -8.710 473 HG2 LYS 57 2HG LYS 57 -1.117 4.355 -9.123 474 HG3 LYS 57 3HG LYS 57 0.327 5.196 -8.543 475 HD2 LYS 57 2HD LYS 57 0.252 5.148 -11.009 476 HD3 LYS 57 3HD LYS 57 1.652 4.270 -10.386 477 HE2 LYS 57 2HE LYS 57 0.577 3.071 -12.258 478 HE3 LYS 57 3HE LYS 57 0.504 2.128 -10.770 479 HZ1 LYS 57 3HZ LYS 57 -1.793 2.891 -10.480 480 HZ2 LYS 57 1HZ LYS 57 -1.602 2.059 -11.939 481 HZ3 LYS 57 2HZ LYS 57 -1.704 3.749 -11.928 482 H ILE 58 H ILE 58 -1.590 1.411 -5.482 483 HA ILE 58 HA ILE 58 0.636 -0.392 -4.713 484 HB ILE 58 HB ILE 58 -2.259 -0.197 -3.720 485 HG12 ILE 58 2HG1 ILE 58 0.299 0.453 -2.188 486 HG13 ILE 58 3HG1 ILE 58 -0.669 1.665 -3.017 487 HG21 ILE 58 1HG2 ILE 58 -1.529 -2.535 -3.616 488 HG22 ILE 58 2HG2 ILE 58 -1.658 -1.865 -1.991 489 HG23 ILE 58 3HG2 ILE 58 -0.074 -2.064 -2.736 490 HD11 ILE 58 3HD1 ILE 58 -1.126 1.638 -0.651 491 HD12 ILE 58 1HD1 ILE 58 -1.598 -0.059 -0.729 492 HD13 ILE 58 2HD1 ILE 58 -2.557 1.166 -1.565 493 H ARG 59 H ARG 59 0.914 -1.884 -6.304 494 HA ARG 59 HA ARG 59 -1.459 -3.147 -7.574 495 HB2 ARG 59 2HB ARG 59 -0.068 -2.086 -9.266 496 HB3 ARG 59 3HB ARG 59 1.402 -2.793 -8.602 497 HG2 ARG 59 2HG ARG 59 0.689 -5.026 -9.291 498 HG3 ARG 59 3HG ARG 59 -0.852 -4.395 -9.873 499 HD2 ARG 59 2HD ARG 59 0.216 -3.245 -11.694 500 HD3 ARG 59 3HD ARG 59 1.818 -3.495 -10.998 501 HE ARG 59 HE ARG 59 1.790 -5.722 -11.682 502 HH11 ARG 59 1HH1 ARG 59 -1.204 -4.153 -12.710 503 HH12 ARG 59 2HH1 ARG 59 -1.585 -5.407 -13.850 504 HH21 ARG 59 1HH2 ARG 59 1.288 -7.314 -13.174 505 HH22 ARG 59 2HH2 ARG 59 -0.170 -7.198 -14.109 506 H PHE 60 H PHE 60 -1.492 -5.428 -7.652 507 HA PHE 60 HA PHE 60 0.490 -6.991 -6.233 508 HB2 PHE 60 2HB PHE 60 -0.683 -6.011 -4.334 509 HB3 PHE 60 3HB PHE 60 -2.261 -6.388 -5.035 510 HD1 PHE 60 HD2 PHE 60 0.852 -8.004 -3.735 511 HD2 PHE 60 HD1 PHE 60 -3.341 -8.421 -4.472 512 HE1 PHE 60 HE2 PHE 60 0.859 -10.172 -2.578 513 HE2 PHE 60 HE1 PHE 60 -3.319 -10.586 -3.318 514 HZ PHE 60 HZ PHE 60 -1.223 -11.464 -2.369 515 H GLU 61 H GLU 61 0.427 -9.073 -6.877 516 HA GLU 61 HA GLU 61 -1.403 -10.037 -8.853 517 HB2 GLU 61 2HB GLU 61 1.081 -11.006 -7.530 518 HB3 GLU 61 3HB GLU 61 -0.035 -12.303 -7.915 519 HG2 GLU 61 2HG GLU 61 0.896 -10.278 -9.964 520 HG3 GLU 61 3HG GLU 61 1.727 -11.801 -9.657 521 H LYS 62 H LYS 62 -3.441 -10.408 -8.291 522 HA LYS 62 HA LYS 62 -4.242 -11.271 -5.622 523 HB2 LYS 62 2HB LYS 62 -5.402 -9.615 -7.516 524 HB3 LYS 62 3HB LYS 62 -6.276 -11.093 -7.828 525 HG2 LYS 62 2HG LYS 62 -6.387 -9.259 -5.463 526 HG3 LYS 62 3HG LYS 62 -7.694 -9.973 -6.389 527 HD2 LYS 62 2HD LYS 62 -7.976 -11.289 -4.544 528 HD3 LYS 62 3HD LYS 62 -6.629 -12.230 -5.199 529 HE2 LYS 62 2HE LYS 62 -6.271 -11.740 -2.832 530 HE3 LYS 62 3HE LYS 62 -5.059 -10.909 -3.806 531 HZ1 LYS 62 3HZ LYS 62 -6.386 -8.870 -3.571 532 HZ2 LYS 62 1HZ LYS 62 -5.903 -9.474 -2.066 533 HZ3 LYS 62 2HZ LYS 62 -7.494 -9.693 -2.597 534 H LYS 63 H LYS 63 -2.675 -13.248 -6.804 535 HA LYS 63 HA LYS 63 -4.462 -15.411 -7.663 536 HB2 LYS 63 2HB LYS 63 -3.691 -14.164 -9.693 537 HB3 LYS 63 3HB LYS 63 -2.020 -14.440 -9.220 538 HG2 LYS 63 2HG LYS 63 -2.526 -16.941 -9.378 539 HG3 LYS 63 3HG LYS 63 -4.052 -16.498 -10.139 540 HD2 LYS 63 2HD LYS 63 -1.281 -15.787 -11.185 541 HD3 LYS 63 3HD LYS 63 -2.289 -17.101 -11.784 542 HE2 LYS 63 2HE LYS 63 -2.548 -15.340 -13.344 543 HE3 LYS 63 3HE LYS 63 -4.023 -15.316 -12.383 544 HZ1 LYS 63 3HZ LYS 63 -1.697 -13.536 -11.878 545 HZ2 LYS 63 1HZ LYS 63 -3.242 -13.405 -11.209 546 HZ3 LYS 63 2HZ LYS 63 -3.005 -13.105 -12.851 547 H GLY 64 H GLY 64 -3.617 -17.466 -7.266 548 HA2 GLY 64 2HA GLY 64 -2.158 -19.113 -6.551 549 HA3 GLY 64 3HA GLY 64 -0.886 -17.912 -6.416 550 H LEU 65 H LEU 65 -3.873 -17.216 -4.849 551 HA LEU 65 HA LEU 65 -2.697 -17.857 -2.209 552 HB2 LEU 65 2HB LEU 65 -4.250 -15.733 -1.563 553 HB3 LEU 65 3HB LEU 65 -2.569 -15.596 -2.031 554 HG LEU 65 HG LEU 65 -3.308 -15.038 -4.377 555 HD11 LEU 65 1HD1 LEU 65 -5.617 -14.287 -4.779 556 HD12 LEU 65 2HD1 LEU 65 -6.089 -14.898 -3.192 557 HD13 LEU 65 3HD1 LEU 65 -5.524 -16.014 -4.435 558 HD21 LEU 65 3HD2 LEU 65 -3.904 -12.723 -3.881 559 HD22 LEU 65 1HD2 LEU 65 -2.640 -13.297 -2.796 560 HD23 LEU 65 2HD2 LEU 65 -4.301 -13.161 -2.217 561 H ASP 66 H ASP 66 -3.996 -18.536 -0.600 562 HA ASP 66 HA ASP 66 -6.398 -19.984 -1.143 563 HB2 ASP 66 2HB ASP 66 -4.785 -20.613 0.637 564 HB3 ASP 66 3HB ASP 66 -5.107 -19.115 1.491 565 H ASP 67 H ASP 67 -8.488 -19.539 0.133 566 HA ASP 67 HA ASP 67 -9.672 -17.082 -0.457 567 HB2 ASP 67 2HB ASP 67 -11.031 -19.064 -0.053 568 HB3 ASP 67 3HB ASP 67 -10.458 -19.193 1.607 569 H ASP 68 H ASP 68 -8.204 -18.186 2.573 570 HA ASP 68 HA ASP 68 -8.764 -15.912 4.176 571 HB2 ASP 68 2HB ASP 68 -8.129 -18.007 5.233 572 HB3 ASP 68 3HB ASP 68 -6.584 -18.038 4.384 573 H ALA 69 H ALA 69 -5.921 -16.864 2.256 574 HA ALA 69 HA ALA 69 -4.288 -14.609 2.827 575 HB1 ALA 69 3HB ALA 69 -3.393 -16.742 2.001 576 HB2 ALA 69 1HB ALA 69 -2.909 -15.406 0.953 577 HB3 ALA 69 2HB ALA 69 -4.200 -16.502 0.449 578 H ARG 70 H ARG 70 -6.794 -15.172 0.471 579 HA ARG 70 HA ARG 70 -6.228 -13.042 -1.360 580 HB2 ARG 70 2HB ARG 70 -7.559 -15.030 -1.986 581 HB3 ARG 70 3HB ARG 70 -8.791 -14.619 -0.798 582 HG2 ARG 70 2HG ARG 70 -9.416 -12.638 -2.062 583 HG3 ARG 70 3HG ARG 70 -8.082 -12.894 -3.185 584 HD2 ARG 70 2HD ARG 70 -9.141 -15.086 -3.826 585 HD3 ARG 70 3HD ARG 70 -10.533 -14.637 -2.833 586 HE ARG 70 HE ARG 70 -10.490 -12.544 -4.392 587 HH11 ARG 70 1HH1 ARG 70 -9.876 -15.882 -5.366 588 HH12 ARG 70 2HH1 ARG 70 -10.461 -15.636 -6.982 589 HH21 ARG 70 1HH2 ARG 70 -11.238 -12.233 -6.517 590 HH22 ARG 70 2HH2 ARG 70 -11.234 -13.566 -7.630 591 H LYS 71 H LYS 71 -8.417 -13.538 1.336 592 HA LYS 71 HA LYS 71 -9.628 -10.964 1.424 593 HB2 LYS 71 2HB LYS 71 -10.702 -12.963 2.335 594 HB3 LYS 71 3HB LYS 71 -9.372 -13.200 3.462 595 HG2 LYS 71 2HG LYS 71 -10.006 -11.117 4.648 596 HG3 LYS 71 3HG LYS 71 -11.334 -10.877 3.506 597 HD2 LYS 71 2HD LYS 71 -12.121 -11.877 5.640 598 HD3 LYS 71 3HD LYS 71 -12.411 -12.955 4.271 599 HE2 LYS 71 2HE LYS 71 -10.344 -14.229 4.885 600 HE3 LYS 71 3HE LYS 71 -10.146 -13.186 6.295 601 HZ1 LYS 71 3HZ LYS 71 -12.319 -13.951 7.085 602 HZ2 LYS 71 1HZ LYS 71 -11.230 -15.231 6.906 603 HZ3 LYS 71 2HZ LYS 71 -12.443 -14.990 5.761 604 H LYS 72 H LYS 72 -6.790 -12.420 2.862 605 HA LYS 72 HA LYS 72 -6.267 -10.398 4.804 606 HB2 LYS 72 2HB LYS 72 -5.175 -12.974 4.147 607 HB3 LYS 72 3HB LYS 72 -3.833 -11.854 4.001 608 HG2 LYS 72 2HG LYS 72 -5.593 -12.191 6.442 609 HG3 LYS 72 3HG LYS 72 -3.974 -12.866 6.236 610 HD2 LYS 72 2HD LYS 72 -3.011 -10.603 6.122 611 HD3 LYS 72 3HD LYS 72 -4.622 -9.889 6.242 612 HE2 LYS 72 2HE LYS 72 -3.216 -11.519 8.382 613 HE3 LYS 72 3HE LYS 72 -3.497 -9.779 8.397 614 HZ1 LYS 72 3HZ LYS 72 -5.593 -11.879 8.454 615 HZ2 LYS 72 1HZ LYS 72 -5.879 -10.212 8.441 616 HZ3 LYS 72 2HZ LYS 72 -5.102 -10.924 9.761 617 H ALA 73 H ALA 73 -5.113 -11.068 1.541 618 HA ALA 73 HA ALA 73 -3.249 -8.896 1.372 619 HB1 ALA 73 3HB ALA 73 -3.047 -10.947 0.032 620 HB2 ALA 73 1HB ALA 73 -3.130 -9.517 -0.994 621 HB3 ALA 73 2HB ALA 73 -4.547 -10.557 -0.818 622 H LYS 74 H LYS 74 -6.655 -9.335 0.572 623 HA LYS 74 HA LYS 74 -7.132 -6.930 -0.852 624 HB2 LYS 74 2HB LYS 74 -8.788 -8.724 -0.875 625 HB3 LYS 74 3HB LYS 74 -8.949 -8.669 0.877 626 HG2 LYS 74 2HG LYS 74 -9.906 -6.364 0.673 627 HG3 LYS 74 3HG LYS 74 -9.838 -6.524 -1.084 628 HD2 LYS 74 2HD LYS 74 -11.444 -8.381 -1.015 629 HD3 LYS 74 3HD LYS 74 -11.424 -8.370 0.753 630 HE2 LYS 74 2HE LYS 74 -12.423 -6.137 0.778 631 HE3 LYS 74 3HE LYS 74 -12.377 -6.072 -0.985 632 HZ1 LYS 74 3HZ LYS 74 -13.978 -7.970 0.638 633 HZ2 LYS 74 1HZ LYS 74 -13.917 -7.933 -1.049 634 HZ3 LYS 74 2HZ LYS 74 -14.569 -6.629 -0.202 635 H LYS 75 H LYS 75 -7.626 -7.812 2.553 636 HA LYS 75 HA LYS 75 -8.487 -5.316 3.514 637 HB2 LYS 75 2HB LYS 75 -8.910 -7.459 4.675 638 HB3 LYS 75 3HB LYS 75 -7.189 -7.657 4.981 639 HG2 LYS 75 2HG LYS 75 -8.316 -6.932 7.004 640 HG3 LYS 75 3HG LYS 75 -7.227 -5.657 6.452 641 HD2 LYS 75 2HD LYS 75 -9.136 -4.411 5.521 642 HD3 LYS 75 3HD LYS 75 -10.234 -5.712 5.985 643 HE2 LYS 75 2HE LYS 75 -9.564 -5.299 8.392 644 HE3 LYS 75 3HE LYS 75 -8.670 -3.882 7.836 645 HZ1 LYS 75 3HZ LYS 75 -10.815 -3.200 8.580 646 HZ2 LYS 75 1HZ LYS 75 -11.592 -4.345 7.608 647 HZ3 LYS 75 2HZ LYS 75 -10.785 -3.048 6.900 648 H TRP 76 H TRP 76 -5.304 -6.848 3.372 649 HA TRP 76 HA TRP 76 -3.765 -5.023 4.824 650 HB2 TRP 76 2HB TRP 76 -2.908 -7.221 4.128 651 HB3 TRP 76 3HB TRP 76 -2.994 -6.765 2.429 652 HD1 TRP 76 HD1 TRP 76 -0.921 -6.074 5.614 653 HE1 TRP 76 HE1 TRP 76 1.330 -5.073 4.919 654 HE3 TRP 76 HE3 TRP 76 -1.752 -5.490 0.587 655 HZ2 TRP 76 HZ2 TRP 76 2.596 -4.157 2.631 656 HZ3 TRP 76 HZ3 TRP 76 0.048 -4.528 -0.794 657 HH2 TRP 76 HH2 TRP 76 2.183 -3.873 0.207 658 H ALA 77 H ALA 77 -4.501 -5.126 1.326 659 HA ALA 77 HA ALA 77 -2.956 -2.884 0.559 660 HB1 ALA 77 3HB ALA 77 -3.706 -4.610 -1.021 661 HB2 ALA 77 1HB ALA 77 -4.190 -3.000 -1.559 662 HB3 ALA 77 2HB ALA 77 -5.376 -4.078 -0.818 663 H LEU 78 H LEU 78 -6.264 -3.191 1.728 664 HA LEU 78 HA LEU 78 -7.079 -0.479 1.341 665 HB2 LEU 78 2HB LEU 78 -8.084 -2.433 3.455 666 HB3 LEU 78 3HB LEU 78 -8.915 -0.995 2.885 667 HG LEU 78 HG LEU 78 -8.417 -3.531 1.288 668 HD11 LEU 78 1HD1 LEU 78 -10.145 -3.846 2.961 669 HD12 LEU 78 2HD1 LEU 78 -10.859 -3.825 1.350 670 HD13 LEU 78 3HD1 LEU 78 -11.001 -2.407 2.396 671 HD21 LEU 78 3HD2 LEU 78 -8.301 -1.653 -0.228 672 HD22 LEU 78 1HD2 LEU 78 -9.817 -0.999 0.404 673 HD23 LEU 78 2HD2 LEU 78 -9.809 -2.527 -0.481 674 H GLU 79 H GLU 79 -5.593 -2.269 4.033 675 HA GLU 79 HA GLU 79 -5.816 -0.259 6.020 676 HB2 GLU 79 2HB GLU 79 -4.035 -2.726 5.846 677 HB3 GLU 79 3HB GLU 79 -4.041 -1.658 7.246 678 HG2 GLU 79 2HG GLU 79 -6.454 -2.135 7.585 679 HG3 GLU 79 3HG GLU 79 -6.416 -3.242 6.219 680 H VAL 80 H VAL 80 -3.064 -1.223 3.924 681 HA VAL 80 HA VAL 80 -1.212 0.656 4.977 682 HB VAL 80 HB VAL 80 0.185 0.218 2.946 683 HG11 VAL 80 1HG1 VAL 80 -0.973 -2.293 4.199 684 HG12 VAL 80 2HG1 VAL 80 0.316 -1.293 4.870 685 HG13 VAL 80 3HG1 VAL 80 0.579 -2.171 3.364 686 HG21 VAL 80 3HG2 VAL 80 -1.587 -0.022 1.258 687 HG22 VAL 80 1HG2 VAL 80 -2.122 -1.524 2.011 688 HG23 VAL 80 2HG2 VAL 80 -0.526 -1.432 1.254 689 H ALA 81 H ALA 81 -3.543 0.849 2.321 690 HA ALA 81 HA ALA 81 -2.872 3.321 1.195 691 HB1 ALA 81 3HB ALA 81 -5.632 2.114 1.583 692 HB2 ALA 81 1HB ALA 81 -4.534 1.756 0.250 693 HB3 ALA 81 2HB ALA 81 -5.209 3.377 0.422 694 H ASN 82 H ASN 82 -5.117 2.551 3.810 695 HA ASN 82 HA ASN 82 -5.695 5.285 4.473 696 HB2 ASN 82 2HB ASN 82 -6.531 2.633 5.697 697 HB3 ASN 82 3HB ASN 82 -6.940 4.165 6.458 698 HD21 ASN 82 1HD2 ASN 82 -7.616 2.055 3.773 699 HD22 ASN 82 2HD2 ASN 82 -8.974 2.926 3.168 700 H LYS 83 H LYS 83 -3.266 3.015 5.503 701 HA LYS 83 HA LYS 83 -2.732 4.143 8.090 702 HB2 LYS 83 2HB LYS 83 -1.969 1.790 6.961 703 HB3 LYS 83 3HB LYS 83 -0.529 2.705 6.561 704 HG2 LYS 83 2HG LYS 83 -1.622 2.195 9.356 705 HG3 LYS 83 3HG LYS 83 -0.229 1.406 8.621 706 HD2 LYS 83 2HD LYS 83 0.932 3.628 8.537 707 HD3 LYS 83 3HD LYS 83 -0.452 4.347 9.361 708 HE2 LYS 83 2HE LYS 83 -0.044 2.870 11.309 709 HE3 LYS 83 3HE LYS 83 1.356 2.176 10.483 710 HZ1 LYS 83 3HZ LYS 83 2.324 4.435 10.427 711 HZ2 LYS 83 1HZ LYS 83 2.090 3.860 12.000 712 HZ3 LYS 83 2HZ LYS 83 1.028 5.003 11.349 713 H ILE 84 H ILE 84 -1.215 4.454 4.866 714 HA ILE 84 HA ILE 84 0.634 6.502 5.459 715 HB ILE 84 HB ILE 84 -0.762 5.944 2.790 716 HG12 ILE 84 2HG1 ILE 84 2.018 4.995 3.618 717 HG13 ILE 84 3HG1 ILE 84 0.590 4.015 3.858 718 HG21 ILE 84 1HG2 ILE 84 0.283 8.170 2.813 719 HG22 ILE 84 2HG2 ILE 84 1.171 7.086 1.743 720 HG23 ILE 84 3HG2 ILE 84 1.812 7.465 3.343 721 HD11 ILE 84 3HD1 ILE 84 1.773 3.351 1.860 722 HD12 ILE 84 1HD1 ILE 84 1.629 4.981 1.199 723 HD13 ILE 84 2HD1 ILE 84 0.185 3.993 1.446 724 H ALA 85 H ALA 85 -2.743 6.600 4.262 725 HA ALA 85 HA ALA 85 -3.123 9.394 4.211 726 HB1 ALA 85 3HB ALA 85 -5.530 8.908 4.239 727 HB2 ALA 85 1HB ALA 85 -5.201 7.240 4.736 728 HB3 ALA 85 2HB ALA 85 -4.680 7.811 3.151 729 H ASN 86 H ASN 86 -3.146 7.145 6.913 730 HA ASN 86 HA ASN 86 -4.492 8.822 8.822 731 HB2 ASN 86 2HB ASN 86 -4.389 6.381 9.140 732 HB3 ASN 86 3HB ASN 86 -2.632 6.421 9.223 733 HD21 ASN 86 1HD2 ASN 86 -1.647 7.171 11.138 734 HD22 ASN 86 2HD2 ASN 86 -2.517 7.329 12.625 735 H GLU 87 H GLU 87 -1.111 8.211 7.957 736 HA GLU 87 HA GLU 87 0.134 9.737 9.997 737 HB2 GLU 87 2HB GLU 87 1.254 9.201 7.203 738 HB3 GLU 87 3HB GLU 87 2.171 9.599 8.648 739 HG2 GLU 87 2HG GLU 87 0.726 7.023 8.030 740 HG3 GLU 87 3HG GLU 87 2.461 7.267 8.191 741 H LEU 88 H LEU 88 -1.506 10.695 7.099 742 HA LEU 88 HA LEU 88 -0.106 13.314 6.951 743 HB2 LEU 88 2HB LEU 88 -1.384 11.747 4.678 744 HB3 LEU 88 3HB LEU 88 -0.388 13.189 4.535 745 HG LEU 88 HG LEU 88 0.624 10.518 5.559 746 HD11 LEU 88 1HD1 LEU 88 1.687 10.256 3.380 747 HD12 LEU 88 2HD1 LEU 88 0.873 11.711 2.797 748 HD13 LEU 88 3HD1 LEU 88 -0.069 10.291 3.264 749 HD21 LEU 88 3HD2 LEU 88 1.950 12.396 6.388 750 HD22 LEU 88 1HD2 LEU 88 2.160 13.004 4.744 751 HD23 LEU 88 2HD2 LEU 88 2.870 11.456 5.216 752 H GLY 89 H GLY 89 -3.165 11.872 7.489 753 HA2 GLY 89 2HA GLY 89 -5.330 12.679 7.459 754 HA3 GLY 89 3HA GLY 89 -4.710 14.275 7.033 755 H ALA 90 H ALA 90 -4.108 14.660 4.837 756 HA ALA 90 HA ALA 90 -4.026 14.560 2.601 757 HB1 ALA 90 3HB ALA 90 -2.797 12.468 3.029 758 HB2 ALA 90 1HB ALA 90 -3.696 12.413 1.512 759 HB3 ALA 90 2HB ALA 90 -4.308 11.562 2.930 760 H LYS 91 H LYS 91 -6.150 11.748 2.531 761 HA LYS 91 HA LYS 91 -8.637 13.031 2.312 762 HB2 LYS 91 2HB LYS 91 -7.369 13.845 0.152 763 HB3 LYS 91 3HB LYS 91 -7.678 12.236 -0.462 764 HG2 LYS 91 2HG LYS 91 -9.931 14.014 0.526 765 HG3 LYS 91 3HG LYS 91 -9.305 14.146 -1.112 766 HD2 LYS 91 2HD LYS 91 -10.497 11.628 0.102 767 HD3 LYS 91 3HD LYS 91 -11.350 12.735 -0.976 768 HE2 LYS 91 2HE LYS 91 -8.844 11.176 -1.718 769 HE3 LYS 91 3HE LYS 91 -10.490 10.725 -2.157 770 HZ1 LYS 91 3HZ LYS 91 -9.251 11.915 -3.913 771 HZ2 LYS 91 1HZ LYS 91 -9.232 13.284 -2.929 772 HZ3 LYS 91 2HZ LYS 91 -10.702 12.668 -3.473 773 H GLN 92 H GLN 92 -7.527 10.479 0.040 774 HA GLN 92 HA GLN 92 -8.382 8.226 1.560 775 HB2 GLN 92 2HB GLN 92 -10.504 9.591 -0.068 776 HB3 GLN 92 3HB GLN 92 -10.410 7.863 -0.332 777 HG2 GLN 92 2HG GLN 92 -10.970 9.272 2.289 778 HG3 GLN 92 3HG GLN 92 -12.102 8.329 1.322 779 HE21 GLN 92 1HE2 GLN 92 -9.503 8.185 3.608 780 HE22 GLN 92 2HE2 GLN 92 -9.567 6.483 3.887 781 H SER 93 H SER 93 -9.120 6.414 -0.294 782 HA SER 93 HA SER 93 -7.196 6.528 -2.541 783 HB2 SER 93 2HB SER 93 -6.779 4.060 -2.117 784 HB3 SER 93 3HB SER 93 -6.146 5.119 -0.862 785 HG SER 93 HG SER 93 -7.323 4.059 0.495 786 H THR 94 H THR 94 -7.960 5.637 -4.468 787 HA THR 94 HA THR 94 -10.658 4.447 -4.530 788 HB THR 94 HB THR 94 -10.118 6.190 -6.263 789 HG1 THR 94 HG1 THR 94 -10.953 4.964 -8.009 790 HG21 THR 94 3HG2 THR 94 -7.722 5.687 -6.648 791 HG22 THR 94 1HG2 THR 94 -8.635 5.668 -8.159 792 HG23 THR 94 2HG2 THR 94 -8.162 4.150 -7.393 793 H THR 95 H THR 95 -10.963 2.271 -5.062 794 HA THR 95 HA THR 95 -8.524 0.578 -5.149 795 HB THR 95 HB THR 95 -9.839 -1.133 -3.837 796 HG1 THR 95 HG1 THR 95 -11.633 0.712 -2.856 797 HG21 THR 95 3HG2 THR 95 -9.529 1.564 -2.450 798 HG22 THR 95 1HG2 THR 95 -8.271 0.335 -2.621 799 HG23 THR 95 2HG2 THR 95 -9.695 0.009 -1.638 800 H THR 96 H THR 96 -8.406 -0.122 -7.192 801 HA THR 96 HA THR 96 -10.686 -0.976 -8.754 802 HB THR 96 HB THR 96 -7.675 -1.274 -9.267 803 HG1 THR 96 HG1 THR 96 -7.823 0.748 -9.804 804 HG21 THR 96 3HG2 THR 96 -10.002 -1.580 -11.219 805 HG22 THR 96 1HG2 THR 96 -9.004 -2.903 -10.612 806 HG23 THR 96 2HG2 THR 96 -8.288 -1.654 -11.631 807 H THR 97 H THR 97 -11.656 -2.813 -8.152 808 HA THR 97 HA THR 97 -10.148 -5.028 -6.945 809 HB THR 97 HB THR 97 -12.034 -4.419 -5.602 810 HG1 THR 97 HG1 THR 97 -13.111 -6.659 -6.915 811 HG21 THR 97 3HG2 THR 97 -13.419 -3.217 -7.230 812 HG22 THR 97 1HG2 THR 97 -14.377 -4.450 -6.407 813 HG23 THR 97 2HG2 THR 97 -13.804 -4.730 -8.051 814 H ASP 98 H ASP 98 -9.691 -6.798 -8.044 815 HA ASP 98 HA ASP 98 -11.319 -7.888 -10.167 816 HB2 ASP 98 2HB ASP 98 -10.046 -6.204 -11.452 817 HB3 ASP 98 3HB ASP 98 -8.532 -6.807 -10.795 818 H GLY 99 H GLY 99 -10.672 -10.051 -10.713 819 HA2 GLY 99 2HA GLY 99 -9.728 -11.488 -8.420 820 HA3 GLY 99 3HA GLY 99 -10.276 -12.178 -9.934 821 H ASP 100 H ASP 100 -8.281 -10.651 -11.518 822 HA ASP 100 HA ASP 100 -6.107 -12.551 -11.328 823 HB2 ASP 100 2HB ASP 100 -6.995 -11.823 -13.522 824 HB3 ASP 100 3HB ASP 100 -6.508 -10.166 -13.199 825 H THR 101 H THR 101 -6.395 -8.984 -11.082 826 HA THR 101 HA THR 101 -4.118 -8.888 -9.198 827 HB THR 101 HB THR 101 -3.315 -6.728 -10.330 828 HG1 THR 101 HG1 THR 101 -5.435 -6.955 -11.748 829 HG21 THR 101 3HG2 THR 101 -2.036 -8.837 -10.607 830 HG22 THR 101 1HG2 THR 101 -1.966 -7.838 -12.062 831 HG23 THR 101 2HG2 THR 101 -3.023 -9.250 -12.011 832 H PHE 102 H PHE 102 -4.314 -7.334 -7.619 833 HA PHE 102 HA PHE 102 -6.787 -5.696 -7.540 834 HB2 PHE 102 2HB PHE 102 -6.576 -7.534 -5.808 835 HB3 PHE 102 3HB PHE 102 -5.125 -6.754 -5.197 836 HD1 PHE 102 HD2 PHE 102 -8.524 -5.441 -6.169 837 HD2 PHE 102 HD1 PHE 102 -5.614 -5.864 -3.059 838 HE1 PHE 102 HE2 PHE 102 -9.955 -4.146 -4.644 839 HE2 PHE 102 HE1 PHE 102 -7.061 -4.569 -1.544 840 HZ PHE 102 HZ PHE 102 -9.228 -3.709 -2.334 841 H GLU 103 H GLU 103 -6.311 -3.578 -7.956 842 HA GLU 103 HA GLU 103 -3.750 -2.483 -6.945 843 HB2 GLU 103 2HB GLU 103 -3.744 -2.398 -9.372 844 HB3 GLU 103 3HB GLU 103 -5.317 -1.605 -9.404 845 HG2 GLU 103 2HG GLU 103 -4.423 0.420 -8.461 846 HG3 GLU 103 3HG GLU 103 -2.894 -0.350 -8.062 847 H VAL 104 H VAL 104 -3.940 -1.107 -5.340 848 HA VAL 104 HA VAL 104 -6.379 0.543 -4.980 849 HB VAL 104 HB VAL 104 -4.206 -0.270 -2.970 850 HG11 VAL 104 1HG1 VAL 104 -5.634 0.814 -1.247 851 HG12 VAL 104 2HG1 VAL 104 -6.704 1.410 -2.518 852 HG13 VAL 104 3HG1 VAL 104 -5.032 1.971 -2.438 853 HG21 VAL 104 3HG2 VAL 104 -5.688 -2.143 -3.516 854 HG22 VAL 104 1HG2 VAL 104 -7.108 -1.155 -3.161 855 HG23 VAL 104 2HG2 VAL 104 -5.989 -1.589 -1.868 856 H GLU 105 H GLU 105 -5.951 2.463 -6.034 857 HA GLU 105 HA GLU 105 -3.283 3.696 -5.830 858 HB2 GLU 105 2HB GLU 105 -5.713 4.535 -7.473 859 HB3 GLU 105 3HB GLU 105 -4.150 5.351 -7.478 860 HG2 GLU 105 2HG GLU 105 -3.122 3.154 -8.265 861 HG3 GLU 105 3HG GLU 105 -4.767 2.553 -8.460 862 H VAL 106 H VAL 106 -2.914 5.099 -4.262 863 HA VAL 106 HA VAL 106 -5.152 6.068 -2.625 864 HB VAL 106 HB VAL 106 -2.218 6.271 -1.828 865 HG11 VAL 106 1HG1 VAL 106 -3.116 6.089 0.458 866 HG12 VAL 106 2HG1 VAL 106 -4.748 5.896 -0.183 867 HG13 VAL 106 3HG1 VAL 106 -3.881 7.415 -0.420 868 HG21 VAL 106 3HG2 VAL 106 -2.313 4.032 -0.789 869 HG22 VAL 106 1HG2 VAL 106 -2.482 3.943 -2.544 870 HG23 VAL 106 2HG2 VAL 106 -3.901 3.759 -1.511 871 H ILE 107 H ILE 107 -5.836 8.059 -3.301 872 HA ILE 107 HA ILE 107 -3.943 9.973 -4.452 873 HB ILE 107 HB ILE 107 -6.987 10.090 -4.218 874 HG12 ILE 107 2HG1 ILE 107 -6.839 10.044 -6.792 875 HG13 ILE 107 3HG1 ILE 107 -5.143 9.623 -6.611 876 HG21 ILE 107 1HG2 ILE 107 -5.137 12.134 -5.501 877 HG22 ILE 107 2HG2 ILE 107 -6.103 12.373 -4.045 878 HG23 ILE 107 3HG2 ILE 107 -6.900 12.148 -5.602 879 HD11 ILE 107 3HD1 ILE 107 -5.783 7.548 -5.492 880 HD12 ILE 107 1HD1 ILE 107 -6.526 7.683 -7.087 881 HD13 ILE 107 2HD1 ILE 107 -7.485 7.992 -5.639 882 H LEU 108 H LEU 108 -2.758 10.756 -2.864 883 HA LEU 108 HA LEU 108 -3.925 11.631 -0.315 884 HB2 LEU 108 2HB LEU 108 -1.029 11.399 -1.224 885 HB3 LEU 108 3HB LEU 108 -1.557 11.771 0.411 886 HG LEU 108 HG LEU 108 -2.261 9.154 -0.971 887 HD11 LEU 108 1HD1 LEU 108 0.080 9.657 0.875 888 HD12 LEU 108 2HD1 LEU 108 0.170 9.330 -0.859 889 HD13 LEU 108 3HD1 LEU 108 -0.440 8.093 0.237 890 HD21 LEU 108 3HD2 LEU 108 -2.297 9.956 1.958 891 HD22 LEU 108 1HD2 LEU 108 -2.662 8.349 1.322 892 HD23 LEU 108 2HD2 LEU 108 -3.702 9.710 0.917 893 H GLU 109 H GLU 109 -4.857 13.582 -0.686 894 HA GLU 109 HA GLU 109 -3.539 15.583 -2.366 895 HB2 GLU 109 2HB GLU 109 -6.263 15.614 -1.004 896 HB3 GLU 109 3HB GLU 109 -5.640 16.874 -2.070 897 HG2 GLU 109 2HG GLU 109 -5.454 15.164 -3.902 898 HG3 GLU 109 3HG GLU 109 -6.229 14.002 -2.827 899 H LEU 110 H LEU 110 -1.762 16.007 -1.010 900 HA LEU 110 HA LEU 110 -2.392 17.809 1.262 901 HB2 LEU 110 2HB LEU 110 0.285 16.515 0.558 902 HB3 LEU 110 3HB LEU 110 -0.002 17.623 1.886 903 HG LEU 110 HG LEU 110 -1.747 15.798 2.699 904 HD11 LEU 110 1HD1 LEU 110 -1.127 13.497 2.154 905 HD12 LEU 110 2HD1 LEU 110 0.055 14.080 0.977 906 HD13 LEU 110 3HD1 LEU 110 -1.666 14.380 0.725 907 HD21 LEU 110 3HD2 LEU 110 0.279 16.451 3.929 908 HD22 LEU 110 1HD2 LEU 110 1.224 15.295 2.988 909 HD23 LEU 110 2HD2 LEU 110 -0.055 14.728 4.065 910 H GLU 111 H GLU 111 -2.793 19.735 0.226 911 HA GLU 111 HA GLU 111 -1.018 20.920 -1.686 912 HB2 GLU 111 2HB GLU 111 -2.882 22.316 0.298 913 HB3 GLU 111 3HB GLU 111 -2.097 23.078 -1.082 914 HG2 GLU 111 2HG GLU 111 -3.420 21.712 -2.634 915 HG3 GLU 111 3HG GLU 111 -4.144 20.849 -1.276 916 H HIS 112 H HIS 112 0.974 20.326 -0.800 917 HA HIS 112 HA HIS 112 1.862 20.749 1.836 918 HB2 HIS 112 2HB HIS 112 2.900 19.166 0.185 919 HB3 HIS 112 3HB HIS 112 3.509 20.536 -0.735 920 HD1 HIS 112 HD1 HIS 112 4.104 18.589 2.400 921 HD2 HIS 112 HD2 HIS 112 5.814 21.757 0.325 922 HE1 HIS 112 HE1 HIS 112 6.347 18.955 3.460 923 HE2 HIS 112 HE2 HIS 112 7.427 20.749 2.071 924 H HIS 113 H HIS 113 1.753 22.754 2.710 925 HA HIS 113 HA HIS 113 0.911 25.012 1.782 926 HB2 HIS 113 2HB HIS 113 1.466 24.705 4.145 927 HB3 HIS 113 3HB HIS 113 3.174 24.894 3.795 928 HD1 HIS 113 HD1 HIS 113 -0.023 26.876 3.992 929 HD2 HIS 113 HD2 HIS 113 4.072 27.542 3.718 930 HE1 HIS 113 HE1 HIS 113 0.290 29.339 4.349 931 HE2 HIS 113 HE2 HIS 113 2.733 29.738 3.972 932 H HIS 114 H HIS 114 4.457 24.993 2.148 933 HA HIS 114 HA HIS 114 4.728 26.726 -0.201 934 HB2 HIS 114 2HB HIS 114 5.987 27.339 1.863 935 HB3 HIS 114 3HB HIS 114 6.840 25.796 1.801 936 HD1 HIS 114 HD1 HIS 114 9.147 26.159 0.933 937 HD2 HIS 114 HD2 HIS 114 6.427 28.685 -0.937 938 HE1 HIS 114 HE1 HIS 114 10.491 27.515 -0.694 939 HE2 HIS 114 HE2 HIS 114 8.847 29.099 -1.735 940 H HIS 115 H HIS 115 4.271 25.320 -1.850 941 HA HIS 115 HA HIS 115 6.331 23.270 -2.474 942 HB2 HIS 115 2HB HIS 115 4.601 22.086 -3.852 943 HB3 HIS 115 3HB HIS 115 4.157 22.132 -2.147 944 HD1 HIS 115 HD1 HIS 115 2.420 24.241 -1.565 945 HD2 HIS 115 HD2 HIS 115 2.550 22.873 -5.487 946 HE1 HIS 115 HE1 HIS 115 0.316 25.078 -2.646 947 HE2 HIS 115 HE2 HIS 115 0.507 24.382 -5.052 948 H HIS 116 H HIS 116 7.349 23.568 -4.410 949 HA HIS 116 HA HIS 116 7.223 26.167 -5.604 950 HB2 HIS 116 2HB HIS 116 8.752 23.707 -6.563 951 HB3 HIS 116 3HB HIS 116 9.043 25.373 -7.060 952 HD1 HIS 116 HD1 HIS 116 10.079 26.986 -5.205 953 HD2 HIS 116 HD2 HIS 116 10.009 22.945 -4.221 954 HE1 HIS 116 HE1 HIS 116 11.590 26.744 -3.215 955 HE2 HIS 116 HE2 HIS 116 11.434 24.329 -2.571 956 H HIS 117 H HIS 117 6.119 22.947 -6.533 957 HA HIS 117 HA HIS 117 4.252 24.099 -8.451 958 HB2 HIS 117 2HB HIS 117 4.804 22.360 -10.191 959 HB3 HIS 117 3HB HIS 117 6.096 23.524 -9.926 960 HD1 HIS 117 HD1 HIS 117 8.319 22.631 -8.966 961 HD2 HIS 117 HD2 HIS 117 5.421 19.698 -9.456 962 HE1 HIS 117 HE1 HIS 117 9.506 20.441 -8.654 963 HE2 HIS 117 HE2 HIS 117 7.780 18.703 -9.184 Start of MODEL 6 1 H1 MET 1 1H MET 1 8.231 -16.153 7.640 2 H2 MET 1 2H MET 1 8.816 -14.683 8.236 3 H3 MET 1 3H MET 1 9.897 -15.920 7.823 4 HA MET 1 HA MET 1 8.102 -14.509 5.950 5 HB2 MET 1 2HB MET 1 11.107 -14.219 6.390 6 HB3 MET 1 3HB MET 1 10.239 -13.513 5.033 7 HG2 MET 1 2HG MET 1 9.757 -12.846 7.948 8 HG3 MET 1 3HG MET 1 10.686 -11.867 6.807 9 HE1 MET 1 3HE MET 1 7.347 -9.789 7.365 10 HE2 MET 1 1HE MET 1 9.095 -9.807 7.595 11 HE3 MET 1 2HE MET 1 8.062 -10.839 8.589 12 H ALA 2 H ALA 2 8.374 -15.091 3.789 13 HA ALA 2 HA ALA 2 9.996 -17.307 2.905 14 HB1 ALA 2 3HB ALA 2 8.072 -18.734 2.210 15 HB2 ALA 2 1HB ALA 2 6.959 -17.628 3.025 16 HB3 ALA 2 2HB ALA 2 8.131 -18.550 3.964 17 H GLY 3 H GLY 3 10.775 -15.968 1.290 18 HA2 GLY 3 2HA GLY 3 9.171 -14.259 -0.355 19 HA3 GLY 3 3HA GLY 3 10.837 -14.734 -0.655 20 H LYS 4 H LYS 4 9.427 -14.516 -2.833 21 HA LYS 4 HA LYS 4 8.651 -15.463 -4.728 22 HB2 LYS 4 2HB LYS 4 10.747 -16.793 -4.608 23 HB3 LYS 4 3HB LYS 4 9.941 -17.997 -3.610 24 HG2 LYS 4 2HG LYS 4 8.363 -18.419 -5.563 25 HG3 LYS 4 3HG LYS 4 9.403 -17.383 -6.541 26 HD2 LYS 4 2HD LYS 4 11.285 -18.926 -6.243 27 HD3 LYS 4 3HD LYS 4 10.344 -19.913 -5.122 28 HE2 LYS 4 2HE LYS 4 8.782 -20.499 -6.945 29 HE3 LYS 4 3HE LYS 4 9.708 -19.497 -8.065 30 HZ1 LYS 4 3HZ LYS 4 10.237 -21.868 -8.229 31 HZ2 LYS 4 1HZ LYS 4 10.773 -21.864 -6.629 32 HZ3 LYS 4 2HZ LYS 4 11.588 -20.951 -7.794 33 H GLU 5 H GLU 5 6.465 -15.105 -4.078 34 HA GLU 5 HA GLU 5 4.856 -17.411 -4.443 35 HB2 GLU 5 2HB GLU 5 5.301 -17.604 -1.954 36 HB3 GLU 5 3HB GLU 5 4.494 -16.058 -1.724 37 HG2 GLU 5 2HG GLU 5 2.984 -17.885 -1.175 38 HG3 GLU 5 3HG GLU 5 2.389 -17.036 -2.598 39 H LEU 6 H LEU 6 4.242 -14.362 -2.689 40 HA LEU 6 HA LEU 6 2.102 -13.730 -4.628 41 HB2 LEU 6 2HB LEU 6 2.492 -12.748 -1.769 42 HB3 LEU 6 3HB LEU 6 1.115 -12.406 -2.803 43 HG LEU 6 HG LEU 6 1.858 -15.118 -1.633 44 HD11 LEU 6 1HD1 LEU 6 -0.290 -14.962 -0.432 45 HD12 LEU 6 2HD1 LEU 6 -0.529 -13.334 -1.073 46 HD13 LEU 6 3HD1 LEU 6 0.820 -13.668 0.013 47 HD21 LEU 6 3HD2 LEU 6 -0.412 -14.462 -3.534 48 HD22 LEU 6 1HD2 LEU 6 -0.201 -15.996 -2.683 49 HD23 LEU 6 2HD2 LEU 6 0.991 -15.480 -3.872 50 H ARG 7 H ARG 7 2.909 -12.440 -6.174 51 HA ARG 7 HA ARG 7 5.143 -10.677 -5.739 52 HB2 ARG 7 2HB ARG 7 4.472 -12.081 -7.892 53 HB3 ARG 7 3HB ARG 7 3.490 -10.684 -8.287 54 HG2 ARG 7 2HG ARG 7 6.497 -10.677 -7.871 55 HG3 ARG 7 3HG ARG 7 5.686 -10.672 -9.431 56 HD2 ARG 7 2HD ARG 7 4.806 -8.441 -9.019 57 HD3 ARG 7 3HD ARG 7 5.428 -8.458 -7.366 58 HE ARG 7 HE ARG 7 7.204 -8.550 -9.741 59 HH11 ARG 7 1HH1 ARG 7 6.410 -7.199 -6.590 60 HH12 ARG 7 2HH1 ARG 7 7.830 -6.197 -6.536 61 HH21 ARG 7 1HH2 ARG 7 9.013 -7.152 -9.664 62 HH22 ARG 7 2HH2 ARG 7 9.277 -6.172 -8.247 63 H VAL 8 H VAL 8 4.976 -8.663 -5.046 64 HA VAL 8 HA VAL 8 2.538 -7.061 -5.472 65 HB VAL 8 HB VAL 8 2.410 -7.851 -3.196 66 HG11 VAL 8 1HG1 VAL 8 5.217 -6.809 -2.750 67 HG12 VAL 8 2HG1 VAL 8 4.745 -8.506 -2.867 68 HG13 VAL 8 3HG1 VAL 8 4.165 -7.521 -1.523 69 HG21 VAL 8 3HG2 VAL 8 2.420 -5.743 -1.905 70 HG22 VAL 8 1HG2 VAL 8 1.731 -5.508 -3.512 71 HG23 VAL 8 2HG2 VAL 8 3.375 -4.965 -3.169 72 H GLU 9 H GLU 9 2.995 -5.217 -6.437 73 HA GLU 9 HA GLU 9 5.684 -3.985 -6.250 74 HB2 GLU 9 2HB GLU 9 3.428 -3.656 -8.280 75 HB3 GLU 9 3HB GLU 9 4.885 -2.665 -8.276 76 HG2 GLU 9 2HG GLU 9 6.279 -4.534 -8.820 77 HG3 GLU 9 3HG GLU 9 4.986 -5.682 -8.515 78 H ILE 10 H ILE 10 5.526 -2.750 -4.354 79 HA ILE 10 HA ILE 10 3.243 -0.934 -4.008 80 HB ILE 10 HB ILE 10 5.791 -1.261 -2.334 81 HG12 ILE 10 2HG1 ILE 10 4.273 -3.200 -2.171 82 HG13 ILE 10 3HG1 ILE 10 4.331 -2.318 -0.650 83 HG21 ILE 10 1HG2 ILE 10 5.003 1.054 -2.146 84 HG22 ILE 10 2HG2 ILE 10 4.709 0.191 -0.636 85 HG23 ILE 10 3HG2 ILE 10 3.375 0.493 -1.751 86 HD11 ILE 10 3HD1 ILE 10 2.162 -1.286 -1.185 87 HD12 ILE 10 1HD1 ILE 10 2.090 -3.047 -1.140 88 HD13 ILE 10 2HD1 ILE 10 2.112 -2.209 -2.691 89 H LYS 11 H LYS 11 3.340 0.972 -5.041 90 HA LYS 11 HA LYS 11 5.882 1.834 -6.272 91 HB2 LYS 11 2HB LYS 11 3.550 0.760 -7.548 92 HB3 LYS 11 3HB LYS 11 3.502 2.482 -7.894 93 HG2 LYS 11 2HG LYS 11 5.856 0.650 -8.455 94 HG3 LYS 11 3HG LYS 11 4.654 1.162 -9.644 95 HD2 LYS 11 2HD LYS 11 5.359 3.471 -9.478 96 HD3 LYS 11 3HD LYS 11 6.398 3.115 -8.094 97 HE2 LYS 11 2HE LYS 11 7.695 3.396 -10.162 98 HE3 LYS 11 3HE LYS 11 7.863 1.770 -9.510 99 HZ1 LYS 11 3HZ LYS 11 7.589 1.708 -11.883 100 HZ2 LYS 11 1HZ LYS 11 6.145 2.581 -11.791 101 HZ3 LYS 11 2HZ LYS 11 6.234 1.018 -11.152 102 H ILE 12 H ILE 12 6.404 3.900 -5.892 103 HA ILE 12 HA ILE 12 4.363 5.835 -5.014 104 HB ILE 12 HB ILE 12 7.395 6.185 -5.220 105 HG12 ILE 12 2HG1 ILE 12 6.875 4.501 -3.487 106 HG13 ILE 12 3HG1 ILE 12 7.450 5.980 -2.728 107 HG21 ILE 12 1HG2 ILE 12 7.046 8.225 -3.849 108 HG22 ILE 12 2HG2 ILE 12 5.303 7.973 -3.928 109 HG23 ILE 12 3HG2 ILE 12 6.210 8.321 -5.402 110 HD11 ILE 12 3HD1 ILE 12 5.622 5.015 -1.479 111 HD12 ILE 12 1HD1 ILE 12 4.579 5.057 -2.900 112 HD13 ILE 12 2HD1 ILE 12 5.125 6.564 -2.157 113 H ASP 13 H ASP 13 3.342 6.827 -6.678 114 HA ASP 13 HA ASP 13 4.615 6.990 -9.320 115 HB2 ASP 13 2HB ASP 13 2.324 6.035 -9.135 116 HB3 ASP 13 3HB ASP 13 1.735 7.563 -8.497 117 H CYS 14 H CYS 14 5.917 8.683 -9.374 118 HA CYS 14 HA CYS 14 4.985 11.363 -9.429 119 HB2 CYS 14 2HB CYS 14 5.107 11.202 -6.977 120 HB3 CYS 14 3HB CYS 14 6.763 10.609 -7.063 121 HG CYS 14 HG CYS 14 6.102 13.498 -6.338 122 H GLY 15 H GLY 15 7.837 9.334 -8.798 123 HA2 GLY 15 2HA GLY 15 9.885 9.133 -9.813 124 HA3 GLY 15 3HA GLY 15 9.189 9.921 -11.222 125 H ASN 16 H ASN 16 9.286 11.372 -8.032 126 HA ASN 16 HA ASN 16 10.484 13.788 -8.864 127 HB2 ASN 16 2HB ASN 16 9.019 13.638 -6.851 128 HB3 ASN 16 3HB ASN 16 10.240 12.668 -6.034 129 HD21 ASN 16 1HD2 ASN 16 9.504 15.878 -7.280 130 HD22 ASN 16 2HD2 ASN 16 10.691 16.723 -6.350 131 H ASP 17 H ASP 17 12.563 14.654 -8.374 132 HA ASP 17 HA ASP 17 14.799 14.685 -8.597 133 HB2 ASP 17 2HB ASP 17 15.175 13.536 -6.525 134 HB3 ASP 17 3HB ASP 17 14.604 12.003 -7.168 135 H ASP 18 H ASP 18 14.023 11.298 -9.198 136 HA ASP 18 HA ASP 18 13.456 11.234 -11.876 137 HB2 ASP 18 2HB ASP 18 16.031 11.957 -11.995 138 HB3 ASP 18 3HB ASP 18 16.343 10.265 -11.636 139 H LYS 19 H LYS 19 13.732 8.821 -12.686 140 HA LYS 19 HA LYS 19 13.694 6.596 -12.499 141 HB2 LYS 19 2HB LYS 19 15.840 6.858 -11.269 142 HB3 LYS 19 3HB LYS 19 14.955 6.962 -9.756 143 HG2 LYS 19 2HG LYS 19 14.170 4.632 -10.058 144 HG3 LYS 19 3HG LYS 19 15.060 4.527 -11.580 145 HD2 LYS 19 2HD LYS 19 17.194 4.919 -10.330 146 HD3 LYS 19 3HD LYS 19 16.283 4.963 -8.818 147 HE2 LYS 19 2HE LYS 19 15.584 2.617 -9.173 148 HE3 LYS 19 3HE LYS 19 16.483 2.578 -10.692 149 HZ1 LYS 19 3HZ LYS 19 17.794 1.580 -8.973 150 HZ2 LYS 19 1HZ LYS 19 17.614 2.926 -7.967 151 HZ3 LYS 19 2HZ LYS 19 18.514 3.050 -9.392 152 H GLU 20 H GLU 20 12.283 5.018 -11.928 153 HA GLU 20 HA GLU 20 9.937 5.685 -10.391 154 HB2 GLU 20 2HB GLU 20 9.073 3.563 -11.194 155 HB3 GLU 20 3HB GLU 20 9.866 4.388 -12.520 156 HG2 GLU 20 2HG GLU 20 11.829 2.932 -12.286 157 HG3 GLU 20 3HG GLU 20 11.078 2.121 -10.913 158 H THR 21 H THR 21 9.176 4.524 -8.506 159 HA THR 21 HA THR 21 11.296 3.230 -6.881 160 HB THR 21 HB THR 21 9.138 5.116 -5.825 161 HG1 THR 21 HG1 THR 21 11.083 5.938 -7.160 162 HG21 THR 21 3HG2 THR 21 10.430 5.067 -3.717 163 HG22 THR 21 1HG2 THR 21 11.578 3.933 -4.433 164 HG23 THR 21 2HG2 THR 21 9.908 3.439 -4.150 165 H THR 22 H THR 22 10.737 1.111 -6.739 166 HA THR 22 HA THR 22 7.925 0.379 -6.138 167 HB THR 22 HB THR 22 9.764 -1.460 -7.736 168 HG1 THR 22 HG1 THR 22 9.575 0.485 -8.920 169 HG21 THR 22 3HG2 THR 22 6.744 -1.227 -7.582 170 HG22 THR 22 1HG2 THR 22 7.719 -2.439 -6.740 171 HG23 THR 22 2HG2 THR 22 7.646 -2.431 -8.504 172 H TYR 23 H TYR 23 7.653 -1.224 -4.578 173 HA TYR 23 HA TYR 23 10.069 -2.236 -3.197 174 HB2 TYR 23 2HB TYR 23 7.371 -1.461 -1.992 175 HB3 TYR 23 3HB TYR 23 8.671 -2.250 -1.102 176 HD1 TYR 23 HD2 TYR 23 10.844 -1.041 -0.741 177 HD2 TYR 23 HD1 TYR 23 7.429 0.935 -2.394 178 HE1 TYR 23 HE2 TYR 23 11.881 1.132 -0.288 179 HE2 TYR 23 HE1 TYR 23 8.478 3.113 -1.944 180 HH TYR 23 HH TYR 23 11.770 3.411 -1.128 181 H ASP 24 H ASP 24 10.261 -4.317 -3.152 182 HA ASP 24 HA ASP 24 8.067 -6.108 -3.952 183 HB2 ASP 24 2HB ASP 24 11.020 -6.812 -3.649 184 HB3 ASP 24 3HB ASP 24 9.778 -7.723 -4.501 185 H LEU 25 H LEU 25 6.942 -6.438 -2.063 186 HA LEU 25 HA LEU 25 8.278 -6.777 0.507 187 HB2 LEU 25 2HB LEU 25 5.329 -7.142 -0.121 188 HB3 LEU 25 3HB LEU 25 6.049 -6.861 1.450 189 HG LEU 25 HG LEU 25 5.816 -4.849 -0.815 190 HD11 LEU 25 1HD1 LEU 25 3.712 -5.285 0.335 191 HD12 LEU 25 2HD1 LEU 25 4.296 -3.664 0.696 192 HD13 LEU 25 3HD1 LEU 25 4.464 -4.947 1.896 193 HD21 LEU 25 3HD2 LEU 25 7.084 -4.441 1.918 194 HD22 LEU 25 1HD2 LEU 25 6.763 -3.177 0.726 195 HD23 LEU 25 2HD2 LEU 25 7.925 -4.451 0.365 196 H TYR 26 H TYR 26 6.386 -8.678 -1.740 197 HA TYR 26 HA TYR 26 5.756 -10.778 -1.977 198 HB2 TYR 26 2HB TYR 26 8.586 -11.133 -1.005 199 HB3 TYR 26 3HB TYR 26 7.592 -12.546 -1.323 200 HD1 TYR 26 HD2 TYR 26 8.820 -9.379 -2.914 201 HD2 TYR 26 HD1 TYR 26 7.302 -13.326 -3.589 202 HE1 TYR 26 HE2 TYR 26 9.200 -9.116 -5.324 203 HE2 TYR 26 HE1 TYR 26 7.680 -13.038 -5.997 204 HH TYR 26 HH TYR 26 9.507 -10.505 -7.314 205 H PHE 27 H PHE 27 4.000 -10.926 -0.813 206 HA PHE 27 HA PHE 27 3.836 -10.982 1.999 207 HB2 PHE 27 2HB PHE 27 1.818 -11.738 -0.142 208 HB3 PHE 27 3HB PHE 27 1.436 -11.794 1.573 209 HD1 PHE 27 HD2 PHE 27 3.468 -9.127 -0.070 210 HD2 PHE 27 HD1 PHE 27 -0.340 -10.201 1.570 211 HE1 PHE 27 HE2 PHE 27 2.753 -6.791 -0.179 212 HE2 PHE 27 HE1 PHE 27 -1.037 -7.845 1.448 213 HZ PHE 27 HZ PHE 27 0.517 -6.156 0.570 214 H SER 28 H SER 28 4.586 -12.597 3.206 215 HA SER 28 HA SER 28 3.997 -15.402 2.567 216 HB2 SER 28 2HB SER 28 5.295 -14.341 5.108 217 HB3 SER 28 3HB SER 28 5.462 -15.938 4.383 218 HG SER 28 HG SER 28 6.312 -14.362 2.541 219 H LYS 29 H LYS 29 1.761 -14.130 2.529 220 HA LYS 29 HA LYS 29 -0.308 -13.766 3.261 221 HB2 LYS 29 2HB LYS 29 0.427 -15.768 5.426 222 HB3 LYS 29 3HB LYS 29 -1.210 -15.242 5.052 223 HG2 LYS 29 2HG LYS 29 -0.918 -16.156 2.724 224 HG3 LYS 29 3HG LYS 29 0.649 -16.803 3.225 225 HD2 LYS 29 2HD LYS 29 -1.077 -18.550 3.338 226 HD3 LYS 29 3HD LYS 29 -0.476 -18.180 4.956 227 HE2 LYS 29 2HE LYS 29 -2.458 -16.808 5.402 228 HE3 LYS 29 3HE LYS 29 -3.035 -17.070 3.756 229 HZ1 LYS 29 3HZ LYS 29 -3.189 -19.439 4.253 230 HZ2 LYS 29 1HZ LYS 29 -4.172 -18.515 5.276 231 HZ3 LYS 29 2HZ LYS 29 -2.711 -19.147 5.849 232 H ALA 30 H ALA 30 -1.573 -13.419 5.694 233 HA ALA 30 HA ALA 30 -1.065 -10.669 6.010 234 HB1 ALA 30 3HB ALA 30 -2.874 -10.705 7.659 235 HB2 ALA 30 1HB ALA 30 -2.784 -12.470 7.734 236 HB3 ALA 30 2HB ALA 30 -3.284 -11.671 6.246 237 H GLU 31 H GLU 31 -0.166 -13.397 8.055 238 HA GLU 31 HA GLU 31 0.364 -12.075 10.460 239 HB2 GLU 31 2HB GLU 31 0.142 -14.532 10.262 240 HB3 GLU 31 3HB GLU 31 1.648 -14.606 9.347 241 HG2 GLU 31 2HG GLU 31 1.972 -15.307 11.683 242 HG3 GLU 31 3HG GLU 31 2.913 -13.867 11.307 243 H GLU 32 H GLU 32 2.550 -12.853 7.771 244 HA GLU 32 HA GLU 32 4.753 -11.338 8.880 245 HB2 GLU 32 2HB GLU 32 4.408 -12.607 6.137 246 HB3 GLU 32 3HB GLU 32 5.912 -11.968 6.793 247 HG2 GLU 32 2HG GLU 32 4.341 -14.328 7.868 248 HG3 GLU 32 3HG GLU 32 5.866 -14.404 6.990 249 H ALA 33 H ALA 33 2.199 -10.816 6.501 250 HA ALA 33 HA ALA 33 3.294 -8.641 5.078 251 HB1 ALA 33 3HB ALA 33 1.035 -8.262 4.214 252 HB2 ALA 33 1HB ALA 33 0.362 -9.314 5.468 253 HB3 ALA 33 2HB ALA 33 1.419 -9.983 4.225 254 H LYS 34 H LYS 34 1.514 -8.743 8.112 255 HA LYS 34 HA LYS 34 0.677 -6.064 8.319 256 HB2 LYS 34 2HB LYS 34 0.350 -6.507 10.692 257 HB3 LYS 34 3HB LYS 34 -0.144 -7.917 9.762 258 HG2 LYS 34 2HG LYS 34 2.092 -8.958 10.291 259 HG3 LYS 34 3HG LYS 34 2.412 -7.597 11.364 260 HD2 LYS 34 2HD LYS 34 0.160 -9.626 11.649 261 HD3 LYS 34 3HD LYS 34 1.613 -9.534 12.641 262 HE2 LYS 34 2HE LYS 34 0.879 -7.300 13.463 263 HE3 LYS 34 3HE LYS 34 -0.602 -7.459 12.514 264 HZ1 LYS 34 3HZ LYS 34 0.249 -9.182 14.784 265 HZ2 LYS 34 1HZ LYS 34 -1.085 -9.510 13.800 266 HZ3 LYS 34 2HZ LYS 34 -1.060 -8.118 14.753 267 H GLU 35 H GLU 35 3.809 -7.525 8.905 268 HA GLU 35 HA GLU 35 5.055 -5.267 10.173 269 HB2 GLU 35 2HB GLU 35 5.903 -7.550 10.490 270 HB3 GLU 35 3HB GLU 35 6.214 -7.703 8.766 271 HG2 GLU 35 2HG GLU 35 8.294 -7.330 10.008 272 HG3 GLU 35 3HG GLU 35 7.973 -5.994 8.907 273 H LEU 36 H LEU 36 4.867 -6.526 6.847 274 HA LEU 36 HA LEU 36 6.477 -4.580 5.577 275 HB2 LEU 36 2HB LEU 36 4.222 -6.307 4.503 276 HB3 LEU 36 3HB LEU 36 5.114 -5.192 3.485 277 HG LEU 36 HG LEU 36 6.046 -7.311 3.069 278 HD11 LEU 36 1HD1 LEU 36 7.973 -5.955 4.977 279 HD12 LEU 36 2HD1 LEU 36 7.754 -5.594 3.263 280 HD13 LEU 36 3HD1 LEU 36 8.388 -7.161 3.754 281 HD21 LEU 36 3HD2 LEU 36 5.160 -8.571 4.958 282 HD22 LEU 36 1HD2 LEU 36 6.347 -7.837 6.039 283 HD23 LEU 36 2HD2 LEU 36 6.873 -8.901 4.729 284 H LEU 37 H LEU 37 3.105 -4.573 6.549 285 HA LEU 37 HA LEU 37 2.089 -2.299 5.269 286 HB2 LEU 37 2HB LEU 37 0.662 -3.833 6.457 287 HB3 LEU 37 3HB LEU 37 1.497 -3.584 7.965 288 HG LEU 37 HG LEU 37 0.030 -1.204 6.803 289 HD11 LEU 37 1HD1 LEU 37 -2.124 -1.913 7.761 290 HD12 LEU 37 2HD1 LEU 37 -1.440 -3.487 8.174 291 HD13 LEU 37 3HD1 LEU 37 -1.607 -3.015 6.482 292 HD21 LEU 37 3HD2 LEU 37 1.283 -0.937 8.913 293 HD22 LEU 37 1HD2 LEU 37 0.347 -2.237 9.652 294 HD23 LEU 37 2HD2 LEU 37 -0.445 -0.725 9.189 295 H LYS 38 H LYS 38 3.815 -2.640 8.317 296 HA LYS 38 HA LYS 38 3.769 -0.001 9.266 297 HB2 LYS 38 2HB LYS 38 4.349 -2.055 10.570 298 HB3 LYS 38 3HB LYS 38 5.860 -2.174 9.681 299 HG2 LYS 38 2HG LYS 38 6.477 0.100 10.638 300 HG3 LYS 38 3HG LYS 38 5.055 -0.035 11.675 301 HD2 LYS 38 2HD LYS 38 7.435 -1.924 11.616 302 HD3 LYS 38 3HD LYS 38 7.072 -0.751 12.878 303 HE2 LYS 38 2HE LYS 38 5.166 -2.002 13.623 304 HE3 LYS 38 3HE LYS 38 5.200 -3.039 12.191 305 HZ1 LYS 38 3HZ LYS 38 6.126 -4.080 14.225 306 HZ2 LYS 38 1HZ LYS 38 7.371 -2.942 14.215 307 HZ3 LYS 38 2HZ LYS 38 7.220 -4.039 12.938 308 H LYS 39 H LYS 39 6.146 -1.751 7.302 309 HA LYS 39 HA LYS 39 8.038 0.333 7.022 310 HB2 LYS 39 2HB LYS 39 7.605 -2.354 5.757 311 HB3 LYS 39 3HB LYS 39 8.581 -1.218 4.832 312 HG2 LYS 39 2HG LYS 39 9.971 -2.704 6.226 313 HG3 LYS 39 3HG LYS 39 10.169 -1.006 6.662 314 HD2 LYS 39 2HD LYS 39 8.602 -1.383 8.603 315 HD3 LYS 39 3HD LYS 39 8.556 -3.097 8.180 316 HE2 LYS 39 2HE LYS 39 10.995 -3.261 8.578 317 HE3 LYS 39 3HE LYS 39 11.045 -1.542 8.969 318 HZ1 LYS 39 3HZ LYS 39 9.542 -1.984 10.830 319 HZ2 LYS 39 1HZ LYS 39 10.987 -2.852 10.972 320 HZ3 LYS 39 2HZ LYS 39 9.576 -3.633 10.476 321 H VAL 40 H VAL 40 5.323 -0.686 4.903 322 HA VAL 40 HA VAL 40 5.822 1.097 2.761 323 HB VAL 40 HB VAL 40 3.214 -0.234 3.663 324 HG11 VAL 40 1HG1 VAL 40 2.252 0.301 1.448 325 HG12 VAL 40 2HG1 VAL 40 3.683 1.251 1.042 326 HG13 VAL 40 3HG1 VAL 40 2.621 1.773 2.350 327 HG21 VAL 40 3HG2 VAL 40 4.986 -1.785 2.898 328 HG22 VAL 40 1HG2 VAL 40 5.091 -0.919 1.365 329 HG23 VAL 40 2HG2 VAL 40 3.612 -1.784 1.792 330 H ALA 41 H ALA 41 4.029 1.495 5.799 331 HA ALA 41 HA ALA 41 2.822 3.988 5.366 332 HB1 ALA 41 3HB ALA 41 3.902 2.902 7.981 333 HB2 ALA 41 1HB ALA 41 2.313 2.553 7.302 334 HB3 ALA 41 2HB ALA 41 2.713 4.198 7.806 335 H GLU 42 H GLU 42 6.048 3.209 6.573 336 HA GLU 42 HA GLU 42 6.902 5.919 7.003 337 HB2 GLU 42 2HB GLU 42 8.472 3.314 6.870 338 HB3 GLU 42 3HB GLU 42 9.117 4.852 7.450 339 HG2 GLU 42 2HG GLU 42 7.548 4.856 9.324 340 HG3 GLU 42 3HG GLU 42 6.754 3.414 8.701 341 H LYS 43 H LYS 43 7.235 3.556 4.376 342 HA LYS 43 HA LYS 43 9.353 4.951 3.012 343 HB2 LYS 43 2HB LYS 43 7.619 2.608 2.128 344 HB3 LYS 43 3HB LYS 43 8.926 3.266 1.157 345 HG2 LYS 43 2HG LYS 43 9.150 1.832 3.814 346 HG3 LYS 43 3HG LYS 43 9.696 1.271 2.240 347 HD2 LYS 43 2HD LYS 43 11.738 1.981 3.019 348 HD3 LYS 43 3HD LYS 43 11.191 3.545 2.421 349 HE2 LYS 43 2HE LYS 43 10.340 4.028 4.761 350 HE3 LYS 43 3HE LYS 43 11.119 2.534 5.286 351 HZ1 LYS 43 3HZ LYS 43 13.246 3.443 4.502 352 HZ2 LYS 43 1HZ LYS 43 12.550 4.409 5.706 353 HZ3 LYS 43 2HZ LYS 43 12.476 4.896 4.090 354 H ALA 44 H ALA 44 5.838 4.867 2.723 355 HA ALA 44 HA ALA 44 5.690 6.422 0.299 356 HB1 ALA 44 3HB ALA 44 3.824 4.974 1.014 357 HB2 ALA 44 1HB ALA 44 3.292 6.648 0.855 358 HB3 ALA 44 2HB ALA 44 3.587 5.961 2.455 359 H ALA 45 H ALA 45 5.574 7.068 3.773 360 HA ALA 45 HA ALA 45 4.889 9.773 3.803 361 HB1 ALA 45 3HB ALA 45 5.743 9.791 6.099 362 HB2 ALA 45 1HB ALA 45 6.592 8.264 5.812 363 HB3 ALA 45 2HB ALA 45 4.830 8.316 5.788 364 H ASP 46 H ASP 46 8.094 8.241 3.521 365 HA ASP 46 HA ASP 46 9.798 10.409 3.880 366 HB2 ASP 46 2HB ASP 46 10.111 8.105 1.909 367 HB3 ASP 46 3HB ASP 46 11.408 9.212 2.348 368 H LYS 47 H LYS 47 8.209 9.329 0.896 369 HA LYS 47 HA LYS 47 9.521 11.197 -0.827 370 HB2 LYS 47 2HB LYS 47 7.143 9.351 -1.276 371 HB3 LYS 47 3HB LYS 47 7.703 10.465 -2.523 372 HG2 LYS 47 2HG LYS 47 8.606 8.228 -2.923 373 HG3 LYS 47 3HG LYS 47 9.919 9.345 -2.534 374 HD2 LYS 47 2HD LYS 47 9.945 8.490 -0.212 375 HD3 LYS 47 3HD LYS 47 8.628 7.387 -0.603 376 HE2 LYS 47 2HE LYS 47 10.086 6.185 -2.165 377 HE3 LYS 47 3HE LYS 47 11.400 7.320 -1.824 378 HZ1 LYS 47 3HZ LYS 47 11.350 6.638 0.490 379 HZ2 LYS 47 1HZ LYS 47 11.616 5.306 -0.516 380 HZ3 LYS 47 2HZ LYS 47 10.095 5.551 0.169 381 H ILE 48 H ILE 48 6.462 11.170 0.931 382 HA ILE 48 HA ILE 48 5.306 13.470 -0.331 383 HB ILE 48 HB ILE 48 4.683 12.425 2.471 384 HG12 ILE 48 2HG1 ILE 48 4.472 10.567 0.878 385 HG13 ILE 48 3HG1 ILE 48 2.886 11.052 1.451 386 HG21 ILE 48 1HG2 ILE 48 3.730 14.645 2.048 387 HG22 ILE 48 2HG2 ILE 48 2.446 13.438 2.113 388 HG23 ILE 48 3HG2 ILE 48 2.981 14.071 0.555 389 HD11 ILE 48 3HD1 ILE 48 2.835 10.518 -0.891 390 HD12 ILE 48 1HD1 ILE 48 4.097 11.699 -1.234 391 HD13 ILE 48 2HD1 ILE 48 2.511 12.237 -0.673 392 H LYS 49 H LYS 49 7.444 12.957 2.426 393 HA LYS 49 HA LYS 49 7.236 15.521 3.646 394 HB2 LYS 49 2HB LYS 49 8.054 13.523 4.842 395 HB3 LYS 49 3HB LYS 49 9.468 13.453 3.795 396 HG2 LYS 49 2HG LYS 49 10.267 15.599 4.703 397 HG3 LYS 49 3HG LYS 49 8.823 15.718 5.712 398 HD2 LYS 49 2HD LYS 49 9.495 13.676 6.933 399 HD3 LYS 49 3HD LYS 49 10.929 13.529 5.916 400 HE2 LYS 49 2HE LYS 49 10.353 15.865 7.769 401 HE3 LYS 49 3HE LYS 49 11.413 14.511 8.150 402 HZ1 LYS 49 3HZ LYS 49 11.799 16.460 5.946 403 HZ2 LYS 49 1HZ LYS 49 12.800 15.137 6.256 404 HZ3 LYS 49 2HZ LYS 49 12.684 16.390 7.386 405 H LYS 50 H LYS 50 9.431 14.170 1.215 406 HA LYS 50 HA LYS 50 10.939 16.658 0.938 407 HB2 LYS 50 2HB LYS 50 12.253 15.475 -0.775 408 HB3 LYS 50 3HB LYS 50 12.168 14.540 0.713 409 HG2 LYS 50 2HG LYS 50 10.618 12.977 -0.245 410 HG3 LYS 50 3HG LYS 50 10.355 13.993 -1.661 411 HD2 LYS 50 2HD LYS 50 12.959 12.566 -0.962 412 HD3 LYS 50 3HD LYS 50 11.798 12.052 -2.187 413 HE2 LYS 50 2HE LYS 50 12.196 14.231 -3.383 414 HE3 LYS 50 3HE LYS 50 13.468 14.584 -2.215 415 HZ1 LYS 50 3HZ LYS 50 13.429 12.217 -4.006 416 HZ2 LYS 50 1HZ LYS 50 14.677 12.658 -2.957 417 HZ3 LYS 50 2HZ LYS 50 14.313 13.628 -4.295 418 H GLN 51 H GLN 51 8.110 15.244 -0.442 419 HA GLN 51 HA GLN 51 7.574 17.396 -2.254 420 HB2 GLN 51 2HB GLN 51 9.279 16.240 -3.633 421 HB3 GLN 51 3HB GLN 51 8.412 14.718 -3.479 422 HG2 GLN 51 2HG GLN 51 8.063 15.707 -5.688 423 HG3 GLN 51 3HG GLN 51 6.544 15.639 -4.797 424 HE21 GLN 51 1HE2 GLN 51 5.544 17.571 -4.194 425 HE22 GLN 51 2HE2 GLN 51 6.052 19.111 -4.787 426 H GLY 52 H GLY 52 5.441 17.534 -1.662 427 HA2 GLY 52 2HA GLY 52 3.712 15.503 -0.821 428 HA3 GLY 52 3HA GLY 52 3.205 17.051 -1.471 429 H CYS 53 H CYS 53 3.759 13.683 -2.193 430 HA CYS 53 HA CYS 53 3.002 13.875 -5.012 431 HB2 CYS 53 2HB CYS 53 3.624 11.426 -3.302 432 HB3 CYS 53 3HB CYS 53 3.487 11.450 -5.059 433 HG CYS 53 HG CYS 53 6.002 12.595 -3.084 434 H LYS 54 H LYS 54 0.990 13.316 -5.800 435 HA LYS 54 HA LYS 54 -1.175 13.043 -3.821 436 HB2 LYS 54 2HB LYS 54 -1.193 14.092 -6.673 437 HB3 LYS 54 3HB LYS 54 -2.669 13.794 -5.765 438 HG2 LYS 54 2HG LYS 54 -2.225 16.132 -5.615 439 HG3 LYS 54 3HG LYS 54 -1.848 15.448 -4.034 440 HD2 LYS 54 2HD LYS 54 0.548 15.529 -4.537 441 HD3 LYS 54 3HD LYS 54 0.219 16.097 -6.176 442 HE2 LYS 54 2HE LYS 54 -0.432 17.612 -3.621 443 HE3 LYS 54 3HE LYS 54 0.936 17.934 -4.687 444 HZ1 LYS 54 3HZ LYS 54 -0.854 19.452 -5.144 445 HZ2 LYS 54 1HZ LYS 54 -1.935 18.182 -5.407 446 HZ3 LYS 54 2HZ LYS 54 -0.648 18.427 -6.471 447 H ARG 55 H ARG 55 0.515 10.994 -5.820 448 HA ARG 55 HA ARG 55 -1.716 9.062 -5.846 449 HB2 ARG 55 2HB ARG 55 -1.519 10.136 -8.117 450 HB3 ARG 55 3HB ARG 55 0.136 9.554 -8.224 451 HG2 ARG 55 2HG ARG 55 -0.666 7.215 -8.225 452 HG3 ARG 55 3HG ARG 55 -2.332 7.777 -8.046 453 HD2 ARG 55 2HD ARG 55 -2.212 8.906 -10.220 454 HD3 ARG 55 3HD ARG 55 -0.523 8.448 -10.396 455 HE ARG 55 HE ARG 55 -2.625 6.379 -10.226 456 HH11 ARG 55 1HH1 ARG 55 0.005 7.868 -12.061 457 HH12 ARG 55 2HH1 ARG 55 -0.012 6.642 -13.294 458 HH21 ARG 55 1HH2 ARG 55 -2.717 4.888 -11.924 459 HH22 ARG 55 2HH2 ARG 55 -1.555 4.959 -13.217 460 H VAL 56 H VAL 56 -1.023 7.565 -4.528 461 HA VAL 56 HA VAL 56 1.615 6.270 -4.916 462 HB VAL 56 HB VAL 56 -0.346 6.018 -2.563 463 HG11 VAL 56 1HG1 VAL 56 0.919 3.939 -2.913 464 HG12 VAL 56 2HG1 VAL 56 1.420 4.733 -1.420 465 HG13 VAL 56 3HG1 VAL 56 2.439 4.839 -2.857 466 HG21 VAL 56 3HG2 VAL 56 2.327 7.464 -2.646 467 HG22 VAL 56 1HG2 VAL 56 1.311 7.254 -1.217 468 HG23 VAL 56 2HG2 VAL 56 0.738 8.228 -2.573 469 H LYS 57 H LYS 57 1.521 4.144 -5.681 470 HA LYS 57 HA LYS 57 -1.159 2.999 -6.288 471 HB2 LYS 57 2HB LYS 57 1.502 2.588 -7.752 472 HB3 LYS 57 3HB LYS 57 -0.037 1.860 -8.201 473 HG2 LYS 57 2HG LYS 57 -0.955 4.029 -8.819 474 HG3 LYS 57 3HG LYS 57 0.477 4.849 -8.190 475 HD2 LYS 57 2HD LYS 57 0.539 4.714 -10.654 476 HD3 LYS 57 3HD LYS 57 1.875 3.824 -9.924 477 HE2 LYS 57 2HE LYS 57 0.949 2.553 -11.784 478 HE3 LYS 57 3HE LYS 57 0.606 1.702 -10.275 479 HZ1 LYS 57 3HZ LYS 57 -1.333 1.705 -11.667 480 HZ2 LYS 57 1HZ LYS 57 -1.284 3.384 -11.833 481 HZ3 LYS 57 2HZ LYS 57 -1.642 2.697 -10.334 482 H ILE 58 H ILE 58 -1.570 1.315 -4.925 483 HA ILE 58 HA ILE 58 0.612 -0.505 -4.075 484 HB ILE 58 HB ILE 58 -2.326 -0.351 -3.203 485 HG12 ILE 58 2HG1 ILE 58 0.180 0.400 -1.632 486 HG13 ILE 58 3HG1 ILE 58 -0.906 1.551 -2.398 487 HG21 ILE 58 1HG2 ILE 58 -1.546 -2.676 -3.071 488 HG22 ILE 58 2HG2 ILE 58 -1.774 -2.014 -1.452 489 HG23 ILE 58 3HG2 ILE 58 -0.151 -2.172 -2.117 490 HD11 ILE 58 3HD1 ILE 58 -1.315 1.437 -0.035 491 HD12 ILE 58 1HD1 ILE 58 -1.601 -0.301 -0.123 492 HD13 ILE 58 2HD1 ILE 58 -2.712 0.821 -0.914 493 H ARG 59 H ARG 59 0.948 -2.090 -5.547 494 HA ARG 59 HA ARG 59 -1.307 -3.205 -7.133 495 HB2 ARG 59 2HB ARG 59 1.643 -2.994 -7.918 496 HB3 ARG 59 3HB ARG 59 0.402 -3.808 -8.867 497 HG2 ARG 59 2HG ARG 59 -0.778 -1.645 -9.164 498 HG3 ARG 59 3HG ARG 59 0.498 -0.840 -8.244 499 HD2 ARG 59 2HD ARG 59 0.835 -0.560 -10.665 500 HD3 ARG 59 3HD ARG 59 2.153 -1.496 -9.951 501 HE ARG 59 HE ARG 59 0.396 -3.401 -10.809 502 HH11 ARG 59 1HH1 ARG 59 2.016 -0.739 -12.445 503 HH12 ARG 59 2HH1 ARG 59 2.029 -1.540 -13.984 504 HH21 ARG 59 1HH2 ARG 59 0.384 -4.414 -12.835 505 HH22 ARG 59 2HH2 ARG 59 1.104 -3.623 -14.205 506 H PHE 60 H PHE 60 -1.525 -5.368 -7.122 507 HA PHE 60 HA PHE 60 0.453 -7.168 -5.990 508 HB2 PHE 60 2HB PHE 60 -0.668 -6.253 -3.970 509 HB3 PHE 60 3HB PHE 60 -2.255 -6.666 -4.636 510 HD1 PHE 60 HD2 PHE 60 0.812 -8.028 -3.112 511 HD2 PHE 60 HD1 PHE 60 -3.073 -8.992 -4.585 512 HE1 PHE 60 HE2 PHE 60 0.972 -10.238 -2.068 513 HE2 PHE 60 HE1 PHE 60 -2.906 -11.207 -3.534 514 HZ PHE 60 HZ PHE 60 -0.891 -11.835 -2.280 515 H GLU 61 H GLU 61 0.132 -9.260 -6.795 516 HA GLU 61 HA GLU 61 -1.582 -9.516 -9.094 517 HB2 GLU 61 2HB GLU 61 0.664 -10.591 -9.026 518 HB3 GLU 61 3HB GLU 61 0.132 -11.633 -7.709 519 HG2 GLU 61 2HG GLU 61 -1.660 -12.546 -9.266 520 HG3 GLU 61 3HG GLU 61 -0.894 -11.632 -10.566 521 H LYS 62 H LYS 62 -3.606 -10.318 -9.152 522 HA LYS 62 HA LYS 62 -4.638 -12.000 -6.948 523 HB2 LYS 62 2HB LYS 62 -5.283 -9.387 -6.982 524 HB3 LYS 62 3HB LYS 62 -6.428 -9.888 -8.201 525 HG2 LYS 62 2HG LYS 62 -6.318 -10.848 -5.323 526 HG3 LYS 62 3HG LYS 62 -7.491 -9.732 -6.004 527 HD2 LYS 62 2HD LYS 62 -7.206 -12.673 -6.720 528 HD3 LYS 62 3HD LYS 62 -8.450 -11.977 -5.683 529 HE2 LYS 62 2HE LYS 62 -8.083 -11.445 -8.650 530 HE3 LYS 62 3HE LYS 62 -9.355 -12.408 -7.904 531 HZ1 LYS 62 3HZ LYS 62 -10.180 -10.436 -6.816 532 HZ2 LYS 62 1HZ LYS 62 -10.122 -10.211 -8.490 533 HZ3 LYS 62 2HZ LYS 62 -8.947 -9.502 -7.505 534 H LYS 63 H LYS 63 -4.873 -13.900 -8.050 535 HA LYS 63 HA LYS 63 -6.963 -14.142 -9.992 536 HB2 LYS 63 2HB LYS 63 -5.162 -13.515 -11.565 537 HB3 LYS 63 3HB LYS 63 -4.117 -14.774 -10.912 538 HG2 LYS 63 2HG LYS 63 -5.737 -16.499 -11.730 539 HG3 LYS 63 3HG LYS 63 -6.708 -15.216 -12.452 540 HD2 LYS 63 2HD LYS 63 -3.830 -15.885 -13.191 541 HD3 LYS 63 3HD LYS 63 -5.257 -16.345 -14.119 542 HE2 LYS 63 2HE LYS 63 -4.337 -13.497 -13.587 543 HE3 LYS 63 3HE LYS 63 -4.161 -14.379 -15.104 544 HZ1 LYS 63 3HZ LYS 63 -6.762 -13.740 -13.827 545 HZ2 LYS 63 1HZ LYS 63 -6.529 -14.469 -15.334 546 HZ3 LYS 63 2HZ LYS 63 -6.065 -12.862 -15.091 547 H GLY 64 H GLY 64 -4.029 -16.079 -9.368 548 HA2 GLY 64 2HA GLY 64 -5.666 -18.416 -8.677 549 HA3 GLY 64 3HA GLY 64 -3.953 -18.391 -9.059 550 H LEU 65 H LEU 65 -5.364 -16.154 -6.757 551 HA LEU 65 HA LEU 65 -3.726 -17.049 -4.577 552 HB2 LEU 65 2HB LEU 65 -6.151 -15.193 -4.497 553 HB3 LEU 65 3HB LEU 65 -4.945 -15.367 -3.233 554 HG LEU 65 HG LEU 65 -4.531 -14.104 -5.970 555 HD11 LEU 65 1HD1 LEU 65 -5.778 -12.694 -4.400 556 HD12 LEU 65 2HD1 LEU 65 -4.180 -12.029 -4.721 557 HD13 LEU 65 3HD1 LEU 65 -4.495 -12.866 -3.198 558 HD21 LEU 65 3HD2 LEU 65 -2.495 -14.501 -3.758 559 HD22 LEU 65 1HD2 LEU 65 -2.259 -13.535 -5.219 560 HD23 LEU 65 2HD2 LEU 65 -2.491 -15.277 -5.345 561 H ASP 66 H ASP 66 -4.439 -18.062 -2.655 562 HA ASP 66 HA ASP 66 -6.828 -19.682 -2.636 563 HB2 ASP 66 2HB ASP 66 -4.805 -20.358 -1.387 564 HB3 ASP 66 3HB ASP 66 -4.861 -18.877 -0.439 565 H ASP 67 H ASP 67 -8.749 -19.231 -1.287 566 HA ASP 67 HA ASP 67 -9.716 -16.604 -1.593 567 HB2 ASP 67 2HB ASP 67 -11.212 -18.586 -1.524 568 HB3 ASP 67 3HB ASP 67 -10.877 -18.796 0.189 569 H ASP 68 H ASP 68 -8.349 -18.213 1.229 570 HA ASP 68 HA ASP 68 -8.826 -16.173 3.157 571 HB2 ASP 68 2HB ASP 68 -8.226 -18.505 3.792 572 HB3 ASP 68 3HB ASP 68 -6.620 -18.288 3.108 573 H ALA 69 H ALA 69 -5.894 -17.006 1.225 574 HA ALA 69 HA ALA 69 -4.236 -14.887 2.067 575 HB1 ALA 69 3HB ALA 69 -2.862 -15.405 0.095 576 HB2 ALA 69 1HB ALA 69 -4.186 -16.363 -0.583 577 HB3 ALA 69 2HB ALA 69 -3.393 -16.879 0.905 578 H ARG 70 H ARG 70 -6.664 -15.002 -0.446 579 HA ARG 70 HA ARG 70 -6.123 -12.604 -1.849 580 HB2 ARG 70 2HB ARG 70 -7.519 -14.398 -2.772 581 HB3 ARG 70 3HB ARG 70 -8.687 -14.229 -1.482 582 HG2 ARG 70 2HG ARG 70 -8.190 -11.958 -3.424 583 HG3 ARG 70 3HG ARG 70 -9.241 -13.302 -3.856 584 HD2 ARG 70 2HD ARG 70 -9.637 -11.288 -1.619 585 HD3 ARG 70 3HD ARG 70 -10.644 -11.535 -3.050 586 HE ARG 70 HE ARG 70 -10.709 -13.947 -1.756 587 HH11 ARG 70 1HH1 ARG 70 -11.586 -10.663 -0.807 588 HH12 ARG 70 2HH1 ARG 70 -12.794 -11.198 0.321 589 HH21 ARG 70 1HH2 ARG 70 -12.268 -14.615 -0.236 590 HH22 ARG 70 2HH2 ARG 70 -13.181 -13.416 0.640 591 H LYS 71 H LYS 71 -8.394 -13.426 0.761 592 HA LYS 71 HA LYS 71 -9.455 -10.830 1.118 593 HB2 LYS 71 2HB LYS 71 -10.674 -12.839 1.850 594 HB3 LYS 71 3HB LYS 71 -9.425 -13.195 3.041 595 HG2 LYS 71 2HG LYS 71 -9.992 -11.257 4.347 596 HG3 LYS 71 3HG LYS 71 -11.043 -10.629 3.079 597 HD2 LYS 71 2HD LYS 71 -12.592 -12.544 3.443 598 HD3 LYS 71 3HD LYS 71 -11.547 -13.123 4.747 599 HE2 LYS 71 2HE LYS 71 -11.942 -11.006 5.979 600 HE3 LYS 71 3HE LYS 71 -13.006 -10.462 4.679 601 HZ1 LYS 71 3HZ LYS 71 -14.486 -12.283 5.145 602 HZ2 LYS 71 1HZ LYS 71 -14.230 -11.381 6.547 603 HZ3 LYS 71 2HZ LYS 71 -13.460 -12.871 6.353 604 H LYS 72 H LYS 72 -6.688 -12.506 2.487 605 HA LYS 72 HA LYS 72 -6.219 -10.697 4.661 606 HB2 LYS 72 2HB LYS 72 -4.414 -12.768 3.331 607 HB3 LYS 72 3HB LYS 72 -3.988 -11.886 4.792 608 HG2 LYS 72 2HG LYS 72 -6.297 -13.825 4.488 609 HG3 LYS 72 3HG LYS 72 -4.778 -14.133 5.327 610 HD2 LYS 72 2HD LYS 72 -5.342 -12.364 6.978 611 HD3 LYS 72 3HD LYS 72 -6.865 -12.067 6.133 612 HE2 LYS 72 2HE LYS 72 -7.608 -14.354 6.648 613 HE3 LYS 72 3HE LYS 72 -6.074 -14.684 7.457 614 HZ1 LYS 72 3HZ LYS 72 -7.678 -14.138 9.105 615 HZ2 LYS 72 1HZ LYS 72 -8.149 -12.734 8.289 616 HZ3 LYS 72 2HZ LYS 72 -6.619 -12.828 8.994 617 H ALA 73 H ALA 73 -5.034 -10.970 1.342 618 HA ALA 73 HA ALA 73 -3.030 -8.912 1.480 619 HB1 ALA 73 3HB ALA 73 -2.959 -9.142 -0.963 620 HB2 ALA 73 1HB ALA 73 -4.431 -10.124 -0.928 621 HB3 ALA 73 2HB ALA 73 -2.948 -10.723 -0.184 622 H LYS 74 H LYS 74 -6.424 -9.070 0.456 623 HA LYS 74 HA LYS 74 -6.676 -6.383 -0.479 624 HB2 LYS 74 2HB LYS 74 -8.324 -7.976 -1.220 625 HB3 LYS 74 3HB LYS 74 -8.718 -8.452 0.430 626 HG2 LYS 74 2HG LYS 74 -9.707 -6.217 0.843 627 HG3 LYS 74 3HG LYS 74 -9.330 -5.740 -0.812 628 HD2 LYS 74 2HD LYS 74 -10.896 -7.355 -1.706 629 HD3 LYS 74 3HD LYS 74 -11.129 -8.086 -0.115 630 HE2 LYS 74 2HE LYS 74 -12.132 -5.945 0.679 631 HE3 LYS 74 3HE LYS 74 -11.982 -5.298 -0.958 632 HZ1 LYS 74 3HZ LYS 74 -14.197 -6.167 -0.491 633 HZ2 LYS 74 1HZ LYS 74 -13.556 -7.703 -0.212 634 HZ3 LYS 74 2HZ LYS 74 -13.456 -7.010 -1.750 635 H LYS 75 H LYS 75 -7.467 -7.974 2.589 636 HA LYS 75 HA LYS 75 -8.606 -5.879 4.053 637 HB2 LYS 75 2HB LYS 75 -8.546 -8.361 4.670 638 HB3 LYS 75 3HB LYS 75 -6.871 -8.145 5.149 639 HG2 LYS 75 2HG LYS 75 -8.212 -8.145 7.133 640 HG3 LYS 75 3HG LYS 75 -7.654 -6.490 6.877 641 HD2 LYS 75 2HD LYS 75 -9.829 -5.846 5.977 642 HD3 LYS 75 3HD LYS 75 -10.403 -7.515 6.058 643 HE2 LYS 75 2HE LYS 75 -11.287 -6.128 7.908 644 HE3 LYS 75 3HE LYS 75 -10.293 -7.454 8.512 645 HZ1 LYS 75 3HZ LYS 75 -9.820 -5.394 9.669 646 HZ2 LYS 75 1HZ LYS 75 -9.434 -4.625 8.213 647 HZ3 LYS 75 2HZ LYS 75 -8.463 -5.883 8.785 648 H TRP 76 H TRP 76 -5.285 -7.026 3.801 649 HA TRP 76 HA TRP 76 -3.890 -5.138 5.297 650 HB2 TRP 76 2HB TRP 76 -2.914 -7.232 4.354 651 HB3 TRP 76 3HB TRP 76 -3.032 -6.562 2.733 652 HD1 TRP 76 HD1 TRP 76 -0.927 -6.365 5.918 653 HE1 TRP 76 HE1 TRP 76 1.258 -5.146 5.389 654 HE3 TRP 76 HE3 TRP 76 -1.968 -4.701 1.177 655 HZ2 TRP 76 HZ2 TRP 76 2.411 -3.683 3.320 656 HZ3 TRP 76 HZ3 TRP 76 -0.255 -3.384 -0.007 657 HH2 TRP 76 HH2 TRP 76 1.903 -2.887 1.053 658 H ALA 77 H ALA 77 -4.694 -5.139 1.802 659 HA ALA 77 HA ALA 77 -3.254 -2.818 1.109 660 HB1 ALA 77 3HB ALA 77 -4.388 -2.970 -1.053 661 HB2 ALA 77 1HB ALA 77 -5.567 -4.102 -0.373 662 HB3 ALA 77 2HB ALA 77 -3.871 -4.563 -0.505 663 H LEU 78 H LEU 78 -6.560 -3.214 2.231 664 HA LEU 78 HA LEU 78 -7.401 -0.519 1.614 665 HB2 LEU 78 2HB LEU 78 -8.670 -2.589 3.453 666 HB3 LEU 78 3HB LEU 78 -9.425 -1.092 2.937 667 HG LEU 78 HG LEU 78 -8.768 -3.487 1.179 668 HD11 LEU 78 1HD1 LEU 78 -10.740 -3.838 2.554 669 HD12 LEU 78 2HD1 LEU 78 -11.207 -3.649 0.868 670 HD13 LEU 78 3HD1 LEU 78 -11.440 -2.315 2.002 671 HD21 LEU 78 3HD2 LEU 78 -8.379 -1.452 -0.114 672 HD22 LEU 78 1HD2 LEU 78 -9.981 -0.847 0.317 673 HD23 LEU 78 2HD2 LEU 78 -9.817 -2.291 -0.686 674 H GLU 79 H GLU 79 -6.384 -2.280 4.555 675 HA GLU 79 HA GLU 79 -6.752 -0.138 6.396 676 HB2 GLU 79 2HB GLU 79 -5.118 -2.688 6.623 677 HB3 GLU 79 3HB GLU 79 -5.335 -1.556 7.955 678 HG2 GLU 79 2HG GLU 79 -7.798 -1.926 7.832 679 HG3 GLU 79 3HG GLU 79 -7.530 -3.122 6.561 680 H VAL 80 H VAL 80 -3.954 -1.233 4.532 681 HA VAL 80 HA VAL 80 -2.051 0.493 5.812 682 HB VAL 80 HB VAL 80 -1.430 -1.677 4.625 683 HG11 VAL 80 1HG1 VAL 80 -1.031 -1.672 2.211 684 HG12 VAL 80 2HG1 VAL 80 -1.727 -0.057 2.087 685 HG13 VAL 80 3HG1 VAL 80 -2.738 -1.416 2.575 686 HG21 VAL 80 3HG2 VAL 80 0.313 -0.065 5.275 687 HG22 VAL 80 1HG2 VAL 80 0.136 0.768 3.731 688 HG23 VAL 80 2HG2 VAL 80 0.741 -0.890 3.777 689 H ALA 81 H ALA 81 -4.106 0.660 2.937 690 HA ALA 81 HA ALA 81 -3.012 2.965 1.725 691 HB1 ALA 81 3HB ALA 81 -5.861 1.926 1.648 692 HB2 ALA 81 1HB ALA 81 -4.545 1.413 0.591 693 HB3 ALA 81 2HB ALA 81 -5.140 3.070 0.512 694 H ASN 82 H ASN 82 -5.639 2.540 4.073 695 HA ASN 82 HA ASN 82 -6.130 5.342 4.467 696 HB2 ASN 82 2HB ASN 82 -7.042 2.929 6.072 697 HB3 ASN 82 3HB ASN 82 -7.611 4.573 6.340 698 HD21 ASN 82 1HD2 ASN 82 -7.629 5.124 3.354 699 HD22 ASN 82 2HD2 ASN 82 -9.022 4.294 2.783 700 H LYS 83 H LYS 83 -3.949 3.001 5.869 701 HA LYS 83 HA LYS 83 -3.294 4.391 8.254 702 HB2 LYS 83 2HB LYS 83 -2.675 1.971 7.720 703 HB3 LYS 83 3HB LYS 83 -1.406 2.590 6.671 704 HG2 LYS 83 2HG LYS 83 -0.497 1.920 8.844 705 HG3 LYS 83 3HG LYS 83 -0.320 3.664 8.626 706 HD2 LYS 83 2HD LYS 83 -2.189 4.107 10.098 707 HD3 LYS 83 3HD LYS 83 -2.609 2.393 10.183 708 HE2 LYS 83 2HE LYS 83 -1.483 3.157 12.233 709 HE3 LYS 83 3HE LYS 83 -0.523 1.935 11.406 710 HZ1 LYS 83 3HZ LYS 83 0.837 3.754 12.210 711 HZ2 LYS 83 1HZ LYS 83 -0.069 4.868 11.320 712 HZ3 LYS 83 2HZ LYS 83 0.866 3.708 10.523 713 H ILE 84 H ILE 84 -1.692 4.331 5.018 714 HA ILE 84 HA ILE 84 0.198 6.370 5.480 715 HB ILE 84 HB ILE 84 -1.016 5.236 2.927 716 HG12 ILE 84 2HG1 ILE 84 1.462 4.699 2.448 717 HG13 ILE 84 3HG1 ILE 84 1.800 5.204 4.096 718 HG21 ILE 84 1HG2 ILE 84 -0.717 7.591 2.373 719 HG22 ILE 84 2HG2 ILE 84 0.497 6.622 1.539 720 HG23 ILE 84 3HG2 ILE 84 0.943 7.550 2.972 721 HD11 ILE 84 3HD1 ILE 84 0.376 3.397 4.916 722 HD12 ILE 84 1HD1 ILE 84 1.688 2.810 3.893 723 HD13 ILE 84 2HD1 ILE 84 0.050 2.914 3.249 724 H ALA 85 H ALA 85 -3.137 6.501 4.233 725 HA ALA 85 HA ALA 85 -3.364 9.252 3.703 726 HB1 ALA 85 3HB ALA 85 -4.994 7.558 2.953 727 HB2 ALA 85 1HB ALA 85 -5.791 8.882 3.806 728 HB3 ALA 85 2HB ALA 85 -5.530 7.336 4.619 729 H ASN 86 H ASN 86 -3.603 7.460 6.712 730 HA ASN 86 HA ASN 86 -4.494 9.653 8.350 731 HB2 ASN 86 2HB ASN 86 -4.940 7.306 8.993 732 HB3 ASN 86 3HB ASN 86 -3.217 6.993 9.131 733 HD21 ASN 86 1HD2 ASN 86 -5.962 8.619 10.595 734 HD22 ASN 86 2HD2 ASN 86 -5.222 8.896 12.130 735 H GLU 87 H GLU 87 -1.316 8.170 7.589 736 HA GLU 87 HA GLU 87 0.223 9.372 9.617 737 HB2 GLU 87 2HB GLU 87 1.208 8.515 6.851 738 HB3 GLU 87 3HB GLU 87 2.227 8.804 8.254 739 HG2 GLU 87 2HG GLU 87 0.308 6.529 7.778 740 HG3 GLU 87 3HG GLU 87 2.046 6.452 8.011 741 H LEU 88 H LEU 88 -0.400 10.403 6.282 742 HA LEU 88 HA LEU 88 1.126 12.879 6.622 743 HB2 LEU 88 2HB LEU 88 -0.264 11.670 4.195 744 HB3 LEU 88 3HB LEU 88 0.553 13.220 4.176 745 HG LEU 88 HG LEU 88 2.115 11.739 3.217 746 HD11 LEU 88 1HD1 LEU 88 4.030 11.674 4.708 747 HD12 LEU 88 2HD1 LEU 88 2.988 11.928 6.110 748 HD13 LEU 88 3HD1 LEU 88 3.154 13.194 4.890 749 HD21 LEU 88 3HD2 LEU 88 1.071 9.598 3.766 750 HD22 LEU 88 1HD2 LEU 88 1.649 9.717 5.431 751 HD23 LEU 88 2HD2 LEU 88 2.800 9.556 4.101 752 H GLY 89 H GLY 89 -2.057 11.890 7.156 753 HA2 GLY 89 2HA GLY 89 -4.003 13.000 7.659 754 HA3 GLY 89 3HA GLY 89 -3.061 14.484 7.745 755 H ALA 90 H ALA 90 -3.683 12.233 5.107 756 HA ALA 90 HA ALA 90 -4.700 14.425 3.401 757 HB1 ALA 90 3HB ALA 90 -2.502 13.587 2.704 758 HB2 ALA 90 1HB ALA 90 -3.731 13.176 1.507 759 HB3 ALA 90 2HB ALA 90 -3.134 11.943 2.620 760 H LYS 91 H LYS 91 -5.657 12.881 1.308 761 HA LYS 91 HA LYS 91 -8.244 12.157 2.399 762 HB2 LYS 91 2HB LYS 91 -7.280 12.256 -0.494 763 HB3 LYS 91 3HB LYS 91 -8.956 12.094 0.032 764 HG2 LYS 91 2HG LYS 91 -8.788 14.333 1.128 765 HG3 LYS 91 3HG LYS 91 -7.154 14.493 0.472 766 HD2 LYS 91 2HD LYS 91 -8.084 14.304 -1.831 767 HD3 LYS 91 3HD LYS 91 -9.710 14.192 -1.150 768 HE2 LYS 91 2HE LYS 91 -9.460 16.455 -0.195 769 HE3 LYS 91 3HE LYS 91 -7.834 16.564 -0.879 770 HZ1 LYS 91 3HZ LYS 91 -10.383 16.338 -2.391 771 HZ2 LYS 91 1HZ LYS 91 -8.847 16.283 -3.097 772 HZ3 LYS 91 2HZ LYS 91 -9.363 17.685 -2.305 773 H GLN 92 H GLN 92 -9.408 10.326 1.273 774 HA GLN 92 HA GLN 92 -8.177 7.858 2.023 775 HB2 GLN 92 2HB GLN 92 -10.856 8.470 0.710 776 HB3 GLN 92 3HB GLN 92 -10.377 6.869 1.255 777 HG2 GLN 92 2HG GLN 92 -10.694 9.302 3.032 778 HG3 GLN 92 3HG GLN 92 -11.866 7.999 2.864 779 HE21 GLN 92 1HE2 GLN 92 -8.775 8.900 4.208 780 HE22 GLN 92 2HE2 GLN 92 -8.597 7.519 5.231 781 H SER 93 H SER 93 -8.715 5.933 0.497 782 HA SER 93 HA SER 93 -7.148 6.362 -1.969 783 HB2 SER 93 2HB SER 93 -6.566 3.884 -1.544 784 HB3 SER 93 3HB SER 93 -5.918 5.052 -0.392 785 HG SER 93 HG SER 93 -8.333 3.610 0.014 786 H THR 94 H THR 94 -7.833 5.461 -3.870 787 HA THR 94 HA THR 94 -10.523 4.302 -4.029 788 HB THR 94 HB THR 94 -10.045 6.101 -5.612 789 HG1 THR 94 HG1 THR 94 -10.548 4.983 -7.549 790 HG21 THR 94 3HG2 THR 94 -8.358 5.945 -7.400 791 HG22 THR 94 1HG2 THR 94 -7.756 4.429 -6.720 792 HG23 THR 94 2HG2 THR 94 -7.588 5.934 -5.812 793 H THR 95 H THR 95 -10.821 2.138 -4.276 794 HA THR 95 HA THR 95 -8.461 0.407 -4.740 795 HB THR 95 HB THR 95 -9.379 -0.035 -2.551 796 HG1 THR 95 HG1 THR 95 -10.518 -2.272 -3.560 797 HG21 THR 95 3HG2 THR 95 -12.085 -0.505 -3.854 798 HG22 THR 95 1HG2 THR 95 -11.665 0.850 -2.801 799 HG23 THR 95 2HG2 THR 95 -11.696 -0.793 -2.158 800 H THR 96 H THR 96 -8.580 -1.274 -6.180 801 HA THR 96 HA THR 96 -10.893 -1.454 -8.006 802 HB THR 96 HB THR 96 -7.947 -1.300 -8.822 803 HG1 THR 96 HG1 THR 96 -8.987 0.715 -8.331 804 HG21 THR 96 3HG2 THR 96 -8.731 -1.423 -11.159 805 HG22 THR 96 1HG2 THR 96 -10.392 -1.650 -10.610 806 HG23 THR 96 2HG2 THR 96 -9.178 -2.891 -10.287 807 H THR 97 H THR 97 -11.623 -3.470 -7.787 808 HA THR 97 HA THR 97 -9.823 -5.688 -7.116 809 HB THR 97 HB THR 97 -11.780 -5.650 -5.728 810 HG1 THR 97 HG1 THR 97 -12.672 -7.692 -7.354 811 HG21 THR 97 3HG2 THR 97 -13.314 -4.323 -7.141 812 HG22 THR 97 1HG2 THR 97 -14.087 -5.796 -6.549 813 HG23 THR 97 2HG2 THR 97 -13.521 -5.706 -8.218 814 H ASP 98 H ASP 98 -9.024 -6.904 -8.676 815 HA ASP 98 HA ASP 98 -10.315 -7.109 -11.315 816 HB2 ASP 98 2HB ASP 98 -8.795 -5.124 -11.332 817 HB3 ASP 98 3HB ASP 98 -7.459 -6.152 -10.843 818 H GLY 99 H GLY 99 -9.649 -8.912 -12.512 819 HA2 GLY 99 2HA GLY 99 -8.899 -11.207 -10.905 820 HA3 GLY 99 3HA GLY 99 -9.486 -11.211 -12.558 821 H ASP 100 H ASP 100 -6.903 -9.053 -12.325 822 HA ASP 100 HA ASP 100 -4.831 -11.130 -12.801 823 HB2 ASP 100 2HB ASP 100 -5.097 -8.456 -14.276 824 HB3 ASP 100 3HB ASP 100 -3.770 -9.597 -14.470 825 H THR 101 H THR 101 -5.425 -7.692 -11.951 826 HA THR 101 HA THR 101 -3.244 -7.775 -9.961 827 HB THR 101 HB THR 101 -3.585 -5.525 -12.010 828 HG1 THR 101 HG1 THR 101 -1.952 -7.792 -11.909 829 HG21 THR 101 3HG2 THR 101 -2.744 -4.679 -9.815 830 HG22 THR 101 1HG2 THR 101 -1.502 -4.586 -11.067 831 HG23 THR 101 2HG2 THR 101 -1.445 -5.874 -9.863 832 H PHE 102 H PHE 102 -4.389 -7.503 -8.120 833 HA PHE 102 HA PHE 102 -6.584 -5.655 -7.788 834 HB2 PHE 102 2HB PHE 102 -6.292 -7.730 -6.389 835 HB3 PHE 102 3HB PHE 102 -4.841 -7.031 -5.682 836 HD1 PHE 102 HD2 PHE 102 -8.517 -6.471 -6.075 837 HD2 PHE 102 HD1 PHE 102 -5.035 -5.669 -3.722 838 HE1 PHE 102 HE2 PHE 102 -9.916 -5.393 -4.363 839 HE2 PHE 102 HE1 PHE 102 -6.445 -4.599 -2.019 840 HZ PHE 102 HZ PHE 102 -8.880 -4.451 -2.337 841 H GLU 103 H GLU 103 -6.243 -3.482 -7.795 842 HA GLU 103 HA GLU 103 -3.679 -2.396 -6.776 843 HB2 GLU 103 2HB GLU 103 -3.743 -2.317 -9.247 844 HB3 GLU 103 3HB GLU 103 -5.243 -1.397 -9.189 845 HG2 GLU 103 2HG GLU 103 -4.053 0.443 -8.009 846 HG3 GLU 103 3HG GLU 103 -2.547 -0.466 -8.120 847 H VAL 104 H VAL 104 -3.995 -1.135 -5.063 848 HA VAL 104 HA VAL 104 -6.429 0.554 -4.818 849 HB VAL 104 HB VAL 104 -4.476 -0.304 -2.609 850 HG11 VAL 104 1HG1 VAL 104 -6.179 0.617 -1.048 851 HG12 VAL 104 2HG1 VAL 104 -7.151 1.150 -2.421 852 HG13 VAL 104 3HG1 VAL 104 -5.560 1.861 -2.137 853 HG21 VAL 104 3HG2 VAL 104 -5.747 -2.249 -3.407 854 HG22 VAL 104 1HG2 VAL 104 -7.263 -1.374 -3.187 855 HG23 VAL 104 2HG2 VAL 104 -6.274 -1.791 -1.785 856 H GLU 105 H GLU 105 -5.891 2.549 -5.643 857 HA GLU 105 HA GLU 105 -3.175 3.622 -5.277 858 HB2 GLU 105 2HB GLU 105 -5.494 4.737 -6.914 859 HB3 GLU 105 3HB GLU 105 -3.856 5.386 -6.866 860 HG2 GLU 105 2HG GLU 105 -3.042 3.160 -7.763 861 HG3 GLU 105 3HG GLU 105 -4.733 2.713 -7.984 862 H VAL 106 H VAL 106 -2.750 5.045 -3.740 863 HA VAL 106 HA VAL 106 -4.898 6.040 -2.031 864 HB VAL 106 HB VAL 106 -1.909 6.251 -1.443 865 HG11 VAL 106 1HG1 VAL 106 -4.316 6.105 0.409 866 HG12 VAL 106 2HG1 VAL 106 -3.417 7.566 -0.002 867 HG13 VAL 106 3HG1 VAL 106 -2.632 6.278 0.912 868 HG21 VAL 106 3HG2 VAL 106 -2.326 3.885 -1.952 869 HG22 VAL 106 1HG2 VAL 106 -3.664 3.853 -0.800 870 HG23 VAL 106 2HG2 VAL 106 -2.012 4.101 -0.228 871 H ILE 107 H ILE 107 -5.647 7.991 -2.645 872 HA ILE 107 HA ILE 107 -3.976 9.861 -4.133 873 HB ILE 107 HB ILE 107 -6.943 10.024 -3.431 874 HG12 ILE 107 2HG1 ILE 107 -6.514 8.104 -4.914 875 HG13 ILE 107 3HG1 ILE 107 -7.345 9.364 -5.815 876 HG21 ILE 107 1HG2 ILE 107 -5.321 11.718 -5.369 877 HG22 ILE 107 2HG2 ILE 107 -6.031 12.261 -3.848 878 HG23 ILE 107 3HG2 ILE 107 -7.076 11.781 -5.186 879 HD11 ILE 107 3HD1 ILE 107 -4.398 8.699 -5.964 880 HD12 ILE 107 1HD1 ILE 107 -5.189 10.011 -6.845 881 HD13 ILE 107 2HD1 ILE 107 -5.632 8.337 -7.169 882 H LEU 108 H LEU 108 -2.586 10.812 -2.748 883 HA LEU 108 HA LEU 108 -3.539 11.932 -0.189 884 HB2 LEU 108 2HB LEU 108 -0.714 11.676 -1.297 885 HB3 LEU 108 3HB LEU 108 -1.141 12.188 0.325 886 HG LEU 108 HG LEU 108 -1.582 9.401 -0.812 887 HD11 LEU 108 1HD1 LEU 108 0.453 10.345 1.235 888 HD12 LEU 108 2HD1 LEU 108 0.799 9.946 -0.451 889 HD13 LEU 108 3HD1 LEU 108 0.227 8.696 0.644 890 HD21 LEU 108 3HD2 LEU 108 -3.300 9.920 0.841 891 HD22 LEU 108 1HD2 LEU 108 -2.073 10.452 1.997 892 HD23 LEU 108 2HD2 LEU 108 -2.154 8.758 1.506 893 H GLU 109 H GLU 109 -4.576 13.844 -0.815 894 HA GLU 109 HA GLU 109 -3.080 15.745 -2.513 895 HB2 GLU 109 2HB GLU 109 -5.993 15.699 -1.644 896 HB3 GLU 109 3HB GLU 109 -5.258 17.007 -2.568 897 HG2 GLU 109 2HG GLU 109 -4.682 15.351 -4.370 898 HG3 GLU 109 3HG GLU 109 -5.553 14.121 -3.460 899 H LEU 110 H LEU 110 -1.554 16.168 -0.859 900 HA LEU 110 HA LEU 110 -2.433 17.876 1.366 901 HB2 LEU 110 2HB LEU 110 0.406 17.085 0.566 902 HB3 LEU 110 3HB LEU 110 -0.064 17.962 2.007 903 HG LEU 110 HG LEU 110 -1.465 15.769 2.548 904 HD11 LEU 110 1HD1 LEU 110 -1.083 14.634 0.426 905 HD12 LEU 110 2HD1 LEU 110 -0.435 13.703 1.772 906 HD13 LEU 110 3HD1 LEU 110 0.657 14.616 0.726 907 HD21 LEU 110 3HD2 LEU 110 0.387 14.883 3.837 908 HD22 LEU 110 1HD2 LEU 110 0.354 16.643 3.920 909 HD23 LEU 110 2HD2 LEU 110 1.535 15.831 2.890 910 H GLU 111 H GLU 111 -3.078 19.816 0.464 911 HA GLU 111 HA GLU 111 -1.402 21.238 -1.421 912 HB2 GLU 111 2HB GLU 111 -3.024 23.218 -0.772 913 HB3 GLU 111 3HB GLU 111 -3.589 21.908 -1.791 914 HG2 GLU 111 2HG GLU 111 -5.366 22.348 -0.317 915 HG3 GLU 111 3HG GLU 111 -4.621 20.879 0.296 916 H HIS 112 H HIS 112 0.470 20.852 -0.182 917 HA HIS 112 HA HIS 112 0.959 22.251 2.317 918 HB2 HIS 112 2HB HIS 112 1.894 19.933 1.725 919 HB3 HIS 112 3HB HIS 112 2.918 20.710 0.527 920 HD1 HIS 112 HD1 HIS 112 2.552 20.188 4.230 921 HD2 HIS 112 HD2 HIS 112 5.199 22.027 1.595 922 HE1 HIS 112 HE1 HIS 112 4.609 20.704 5.576 923 HE2 HIS 112 HE2 HIS 112 6.163 21.864 3.982 924 H HIS 113 H HIS 113 0.285 24.293 1.187 925 HA HIS 113 HA HIS 113 2.322 25.477 -0.589 926 HB2 HIS 113 2HB HIS 113 0.566 27.061 -1.337 927 HB3 HIS 113 3HB HIS 113 0.103 25.385 -1.607 928 HD1 HIS 113 HD1 HIS 113 -0.837 28.435 0.363 929 HD2 HIS 113 HD2 HIS 113 -2.163 24.540 -0.149 930 HE1 HIS 113 HE1 HIS 113 -3.128 28.356 1.389 931 HE2 HIS 113 HE2 HIS 113 -3.824 25.948 1.215 932 H HIS 114 H HIS 114 3.771 26.447 0.586 933 HA HIS 114 HA HIS 114 3.244 28.897 1.924 934 HB2 HIS 114 2HB HIS 114 2.649 27.466 3.831 935 HB3 HIS 114 3HB HIS 114 4.155 26.573 3.682 936 HD1 HIS 114 HD1 HIS 114 3.274 30.275 4.126 937 HD2 HIS 114 HD2 HIS 114 5.912 27.412 5.583 938 HE1 HIS 114 HE1 HIS 114 4.691 31.464 5.826 939 HE2 HIS 114 HE2 HIS 114 6.112 29.657 6.838 940 H HIS 115 H HIS 115 5.482 26.214 1.479 941 HA HIS 115 HA HIS 115 7.864 27.867 1.644 942 HB2 HIS 115 2HB HIS 115 7.707 25.513 2.564 943 HB3 HIS 115 3HB HIS 115 7.579 24.912 0.915 944 HD1 HIS 115 HD1 HIS 115 9.741 24.219 -0.098 945 HD2 HIS 115 HD2 HIS 115 10.290 27.007 2.937 946 HE1 HIS 115 HE1 HIS 115 12.221 24.489 0.134 947 HE2 HIS 115 HE2 HIS 115 12.525 26.267 1.879 948 H HIS 116 H HIS 116 5.625 27.165 -0.777 949 HA HIS 116 HA HIS 116 7.345 27.291 -3.099 950 HB2 HIS 116 2HB HIS 116 5.021 26.256 -3.075 951 HB3 HIS 116 3HB HIS 116 4.341 27.867 -2.883 952 HD1 HIS 116 HD1 HIS 116 5.274 25.442 -5.415 953 HD2 HIS 116 HD2 HIS 116 4.914 29.581 -5.263 954 HE1 HIS 116 HE1 HIS 116 5.154 26.203 -7.805 955 HE2 HIS 116 HE2 HIS 116 4.683 28.666 -7.660 956 H HIS 117 H HIS 117 8.266 29.097 -3.867 957 HA HIS 117 HA HIS 117 8.863 31.217 -4.299 958 HB2 HIS 117 2HB HIS 117 6.662 31.463 -5.356 959 HB3 HIS 117 3HB HIS 117 5.915 31.811 -3.803 960 HD1 HIS 117 HD1 HIS 117 6.090 34.202 -2.911 961 HD2 HIS 117 HD2 HIS 117 8.181 33.639 -6.462 962 HE1 HIS 117 HE1 HIS 117 6.703 36.501 -3.704 963 HE2 HIS 117 HE2 HIS 117 7.965 36.144 -5.846 Start of MODEL 7 1 H1 MET 1 1H MET 1 1.442 -24.850 6.616 2 H2 MET 1 2H MET 1 2.137 -25.105 5.102 3 H3 MET 1 3H MET 1 1.533 -23.581 5.511 4 HA MET 1 HA MET 1 3.176 -23.265 7.156 5 HB2 MET 1 2HB MET 1 4.936 -24.933 7.599 6 HB3 MET 1 3HB MET 1 3.347 -25.600 7.929 7 HG2 MET 1 2HG MET 1 3.417 -26.867 5.832 8 HG3 MET 1 3HG MET 1 4.984 -26.151 5.437 9 HE1 MET 1 3HE MET 1 6.104 -28.613 5.122 10 HE2 MET 1 1HE MET 1 4.506 -29.299 5.430 11 HE3 MET 1 2HE MET 1 5.909 -29.895 6.317 12 H ALA 2 H ALA 2 2.869 -23.657 3.906 13 HA ALA 2 HA ALA 2 5.516 -22.447 3.323 14 HB1 ALA 2 3HB ALA 2 5.578 -23.672 1.187 15 HB2 ALA 2 1HB ALA 2 4.064 -24.486 1.590 16 HB3 ALA 2 2HB ALA 2 5.514 -24.792 2.548 17 H GLY 3 H GLY 3 4.817 -20.352 3.175 18 HA2 GLY 3 2HA GLY 3 2.565 -19.610 1.433 19 HA3 GLY 3 3HA GLY 3 3.484 -18.545 2.484 20 H LYS 4 H LYS 4 2.972 -19.400 -0.679 21 HA LYS 4 HA LYS 4 5.578 -19.351 -1.799 22 HB2 LYS 4 2HB LYS 4 3.525 -20.363 -2.880 23 HB3 LYS 4 3HB LYS 4 2.957 -18.735 -3.228 24 HG2 LYS 4 2HG LYS 4 4.885 -18.335 -4.683 25 HG3 LYS 4 3HG LYS 4 5.560 -19.906 -4.256 26 HD2 LYS 4 2HD LYS 4 3.468 -20.958 -5.282 27 HD3 LYS 4 3HD LYS 4 3.053 -19.351 -5.886 28 HE2 LYS 4 2HE LYS 4 5.151 -19.284 -7.170 29 HE3 LYS 4 3HE LYS 4 5.605 -20.866 -6.534 30 HZ1 LYS 4 3HZ LYS 4 4.703 -21.110 -8.718 31 HZ2 LYS 4 1HZ LYS 4 3.301 -20.264 -8.304 32 HZ3 LYS 4 2HZ LYS 4 3.608 -21.777 -7.618 33 H GLU 5 H GLU 5 6.471 -17.731 -3.216 34 HA GLU 5 HA GLU 5 6.576 -15.151 -2.029 35 HB2 GLU 5 2HB GLU 5 7.775 -16.153 -4.642 36 HB3 GLU 5 3HB GLU 5 8.215 -14.655 -3.823 37 HG2 GLU 5 2HG GLU 5 9.027 -15.967 -1.880 38 HG3 GLU 5 3HG GLU 5 8.611 -17.457 -2.726 39 H LEU 6 H LEU 6 4.522 -14.172 -2.221 40 HA LEU 6 HA LEU 6 3.275 -13.605 -4.755 41 HB2 LEU 6 2HB LEU 6 2.907 -12.609 -1.927 42 HB3 LEU 6 3HB LEU 6 2.146 -11.727 -3.240 43 HG LEU 6 HG LEU 6 0.713 -13.577 -3.800 44 HD11 LEU 6 1HD1 LEU 6 0.780 -15.777 -2.705 45 HD12 LEU 6 2HD1 LEU 6 2.252 -15.306 -1.849 46 HD13 LEU 6 3HD1 LEU 6 2.261 -15.451 -3.607 47 HD21 LEU 6 3HD2 LEU 6 -0.526 -13.930 -1.710 48 HD22 LEU 6 1HD2 LEU 6 -0.012 -12.253 -1.885 49 HD23 LEU 6 2HD2 LEU 6 0.852 -13.331 -0.787 50 H ARG 7 H ARG 7 4.617 -12.609 -6.185 51 HA ARG 7 HA ARG 7 6.360 -10.422 -5.379 52 HB2 ARG 7 2HB ARG 7 5.952 -11.519 -8.189 53 HB3 ARG 7 3HB ARG 7 7.296 -10.545 -7.595 54 HG2 ARG 7 2HG ARG 7 7.617 -12.618 -5.927 55 HG3 ARG 7 3HG ARG 7 6.744 -13.479 -7.197 56 HD2 ARG 7 2HD ARG 7 9.099 -13.745 -7.596 57 HD3 ARG 7 3HD ARG 7 8.481 -12.638 -8.828 58 HE ARG 7 HE ARG 7 9.366 -10.795 -7.445 59 HH11 ARG 7 1HH1 ARG 7 10.801 -13.975 -6.994 60 HH12 ARG 7 2HH1 ARG 7 12.284 -13.335 -6.366 61 HH21 ARG 7 1HH2 ARG 7 11.275 -9.992 -6.551 62 HH22 ARG 7 2HH2 ARG 7 12.546 -11.087 -6.116 63 H VAL 8 H VAL 8 5.435 -8.535 -5.120 64 HA VAL 8 HA VAL 8 3.130 -7.679 -6.779 65 HB VAL 8 HB VAL 8 2.352 -6.385 -4.860 66 HG11 VAL 8 1HG1 VAL 8 3.100 -9.219 -4.031 67 HG12 VAL 8 2HG1 VAL 8 1.663 -8.736 -4.936 68 HG13 VAL 8 3HG1 VAL 8 1.861 -8.224 -3.261 69 HG21 VAL 8 3HG2 VAL 8 4.837 -7.329 -3.365 70 HG22 VAL 8 1HG2 VAL 8 3.496 -6.424 -2.651 71 HG23 VAL 8 2HG2 VAL 8 4.506 -5.678 -3.891 72 H GLU 9 H GLU 9 3.159 -5.575 -7.637 73 HA GLU 9 HA GLU 9 5.793 -4.203 -7.569 74 HB2 GLU 9 2HB GLU 9 5.032 -3.186 -9.775 75 HB3 GLU 9 3HB GLU 9 5.324 -4.920 -9.802 76 HG2 GLU 9 2HG GLU 9 2.855 -5.300 -9.601 77 HG3 GLU 9 3HG GLU 9 2.614 -3.559 -9.699 78 H ILE 10 H ILE 10 5.554 -2.873 -5.809 79 HA ILE 10 HA ILE 10 3.139 -1.202 -5.550 80 HB ILE 10 HB ILE 10 5.567 -1.451 -3.710 81 HG12 ILE 10 2HG1 ILE 10 4.346 -3.568 -3.755 82 HG13 ILE 10 3HG1 ILE 10 4.047 -2.776 -2.215 83 HG21 ILE 10 1HG2 ILE 10 4.499 0.730 -3.425 84 HG22 ILE 10 2HG2 ILE 10 4.190 -0.280 -2.012 85 HG23 ILE 10 3HG2 ILE 10 2.923 -0.039 -3.218 86 HD11 ILE 10 3HD1 ILE 10 1.835 -2.057 -3.058 87 HD12 ILE 10 1HD1 ILE 10 2.044 -3.809 -3.040 88 HD13 ILE 10 2HD1 ILE 10 2.157 -2.929 -4.562 89 H LYS 11 H LYS 11 3.185 0.653 -6.682 90 HA LYS 11 HA LYS 11 5.710 1.954 -7.446 91 HB2 LYS 11 2HB LYS 11 2.854 2.144 -8.454 92 HB3 LYS 11 3HB LYS 11 4.046 3.353 -8.901 93 HG2 LYS 11 2HG LYS 11 4.380 0.391 -9.451 94 HG3 LYS 11 3HG LYS 11 3.671 1.536 -10.593 95 HD2 LYS 11 2HD LYS 11 5.851 2.879 -10.390 96 HD3 LYS 11 3HD LYS 11 6.522 1.486 -9.538 97 HE2 LYS 11 2HE LYS 11 7.164 1.406 -11.883 98 HE3 LYS 11 3HE LYS 11 6.052 0.081 -11.543 99 HZ1 LYS 11 3HZ LYS 11 5.199 2.660 -12.725 100 HZ2 LYS 11 1HZ LYS 11 4.301 1.236 -12.614 101 HZ3 LYS 11 2HZ LYS 11 5.637 1.321 -13.649 102 H ILE 12 H ILE 12 6.372 3.782 -6.471 103 HA ILE 12 HA ILE 12 4.421 5.469 -5.011 104 HB ILE 12 HB ILE 12 7.462 5.420 -4.710 105 HG12 ILE 12 2HG1 ILE 12 6.443 3.398 -3.714 106 HG13 ILE 12 3HG1 ILE 12 7.055 4.450 -2.447 107 HG21 ILE 12 1HG2 ILE 12 5.392 7.037 -3.168 108 HG22 ILE 12 2HG2 ILE 12 6.576 7.677 -4.310 109 HG23 ILE 12 3HG2 ILE 12 7.115 6.964 -2.790 110 HD11 ILE 12 3HD1 ILE 12 4.770 5.209 -1.987 111 HD12 ILE 12 1HD1 ILE 12 4.935 3.460 -1.840 112 HD13 ILE 12 2HD1 ILE 12 4.167 4.151 -3.267 113 H ASP 13 H ASP 13 3.759 7.137 -6.173 114 HA ASP 13 HA ASP 13 5.307 8.267 -8.369 115 HB2 ASP 13 2HB ASP 13 2.904 7.812 -8.716 116 HB3 ASP 13 3HB ASP 13 2.497 8.847 -7.355 117 H CYS 14 H CYS 14 6.076 10.480 -8.350 118 HA CYS 14 HA CYS 14 5.648 12.134 -5.999 119 HB2 CYS 14 2HB CYS 14 7.446 10.596 -5.238 120 HB3 CYS 14 3HB CYS 14 8.461 11.129 -6.576 121 HG CYS 14 HG CYS 14 7.337 13.655 -4.701 122 H GLY 15 H GLY 15 7.821 11.778 -8.868 123 HA2 GLY 15 2HA GLY 15 6.964 14.383 -9.871 124 HA3 GLY 15 3HA GLY 15 8.643 14.306 -9.346 125 H ASN 16 H ASN 16 8.477 15.014 -11.809 126 HA ASN 16 HA ASN 16 8.158 12.879 -13.743 127 HB2 ASN 16 2HB ASN 16 8.615 14.604 -15.431 128 HB3 ASN 16 3HB ASN 16 7.424 15.185 -14.274 129 HD21 ASN 16 1HD2 ASN 16 9.389 16.572 -16.076 130 HD22 ASN 16 2HD2 ASN 16 10.232 17.671 -15.048 131 H ASP 17 H ASP 17 10.791 14.407 -12.058 132 HA ASP 17 HA ASP 17 12.914 13.508 -13.802 133 HB2 ASP 17 2HB ASP 17 13.107 15.576 -12.427 134 HB3 ASP 17 3HB ASP 17 13.017 14.618 -10.955 135 H ASP 18 H ASP 18 10.970 11.942 -11.530 136 HA ASP 18 HA ASP 18 12.849 9.989 -10.548 137 HB2 ASP 18 2HB ASP 18 9.801 10.098 -10.513 138 HB3 ASP 18 3HB ASP 18 10.728 8.789 -9.780 139 H LYS 19 H LYS 19 12.477 7.667 -10.888 140 HA LYS 19 HA LYS 19 11.743 6.923 -13.670 141 HB2 LYS 19 2HB LYS 19 13.465 5.182 -13.574 142 HB3 LYS 19 3HB LYS 19 14.204 6.738 -13.217 143 HG2 LYS 19 2HG LYS 19 14.274 6.216 -10.834 144 HG3 LYS 19 3HG LYS 19 13.384 4.714 -11.106 145 HD2 LYS 19 2HD LYS 19 15.306 3.911 -12.531 146 HD3 LYS 19 3HD LYS 19 16.201 5.362 -12.063 147 HE2 LYS 19 2HE LYS 19 16.856 3.427 -10.689 148 HE3 LYS 19 3HE LYS 19 16.087 4.667 -9.695 149 HZ1 LYS 19 3HZ LYS 19 14.710 2.251 -10.752 150 HZ2 LYS 19 1HZ LYS 19 14.053 3.401 -9.704 151 HZ3 LYS 19 2HZ LYS 19 15.315 2.408 -9.186 152 H GLU 20 H GLU 20 11.620 4.227 -13.464 153 HA GLU 20 HA GLU 20 9.277 3.560 -12.078 154 HB2 GLU 20 2HB GLU 20 11.511 1.784 -13.127 155 HB3 GLU 20 3HB GLU 20 9.981 1.162 -12.523 156 HG2 GLU 20 2HG GLU 20 10.243 3.061 -14.874 157 HG3 GLU 20 3HG GLU 20 10.130 1.313 -15.019 158 H THR 21 H THR 21 8.966 3.387 -9.967 159 HA THR 21 HA THR 21 11.087 2.330 -8.182 160 HB THR 21 HB THR 21 8.887 4.313 -7.422 161 HG1 THR 21 HG1 THR 21 10.379 5.332 -8.787 162 HG21 THR 21 3HG2 THR 21 10.216 4.644 -5.357 163 HG22 THR 21 1HG2 THR 21 11.357 3.408 -5.892 164 HG23 THR 21 2HG2 THR 21 9.693 2.965 -5.507 165 H THR 22 H THR 22 10.479 0.233 -7.980 166 HA THR 22 HA THR 22 7.692 -0.420 -7.216 167 HB THR 22 HB THR 22 8.279 -2.763 -8.188 168 HG1 THR 22 HG1 THR 22 9.819 -2.451 -10.025 169 HG21 THR 22 3HG2 THR 22 6.650 -1.270 -9.281 170 HG22 THR 22 1HG2 THR 22 7.606 -2.168 -10.462 171 HG23 THR 22 2HG2 THR 22 7.965 -0.470 -10.146 172 H TYR 23 H TYR 23 7.438 -1.561 -5.394 173 HA TYR 23 HA TYR 23 9.802 -2.702 -4.009 174 HB2 TYR 23 2HB TYR 23 7.071 -1.914 -2.870 175 HB3 TYR 23 3HB TYR 23 8.422 -2.553 -1.944 176 HD1 TYR 23 HD1 TYR 23 7.607 0.340 -4.216 177 HD2 TYR 23 HD2 TYR 23 9.800 -0.986 -0.794 178 HE1 TYR 23 HE1 TYR 23 8.359 2.633 -3.821 179 HE2 TYR 23 HE2 TYR 23 10.555 1.327 -0.402 180 HH TYR 23 HH TYR 23 9.200 4.025 -2.066 181 H ASP 24 H ASP 24 9.881 -4.902 -4.058 182 HA ASP 24 HA ASP 24 7.383 -6.431 -4.519 183 HB2 ASP 24 2HB ASP 24 8.799 -8.264 -5.425 184 HB3 ASP 24 3HB ASP 24 8.903 -6.792 -6.373 185 H LEU 25 H LEU 25 6.695 -6.762 -2.567 186 HA LEU 25 HA LEU 25 8.426 -8.071 -0.561 187 HB2 LEU 25 2HB LEU 25 6.756 -7.156 1.138 188 HB3 LEU 25 3HB LEU 25 7.853 -5.998 0.421 189 HG LEU 25 HG LEU 25 5.023 -6.296 -0.654 190 HD11 LEU 25 1HD1 LEU 25 4.777 -5.899 1.739 191 HD12 LEU 25 2HD1 LEU 25 4.297 -4.475 0.821 192 HD13 LEU 25 3HD1 LEU 25 5.860 -4.508 1.646 193 HD21 LEU 25 3HD2 LEU 25 6.576 -4.986 -2.032 194 HD22 LEU 25 1HD2 LEU 25 6.958 -3.951 -0.653 195 HD23 LEU 25 2HD2 LEU 25 5.333 -3.948 -1.342 196 H TYR 26 H TYR 26 7.856 -10.039 -0.023 197 HA TYR 26 HA TYR 26 5.725 -11.351 -1.434 198 HB2 TYR 26 2HB TYR 26 7.568 -12.537 0.684 199 HB3 TYR 26 3HB TYR 26 6.674 -13.408 -0.561 200 HD1 TYR 26 HD1 TYR 26 7.247 -12.072 -3.053 201 HD2 TYR 26 HD2 TYR 26 9.876 -12.703 0.265 202 HE1 TYR 26 HE1 TYR 26 9.184 -11.925 -4.555 203 HE2 TYR 26 HE2 TYR 26 11.809 -12.558 -1.243 204 HH TYR 26 HH TYR 26 12.273 -12.913 -3.679 205 H PHE 27 H PHE 27 3.833 -12.112 -0.591 206 HA PHE 27 HA PHE 27 3.302 -11.743 2.298 207 HB2 PHE 27 2HB PHE 27 1.277 -11.662 0.023 208 HB3 PHE 27 3HB PHE 27 0.909 -11.482 1.734 209 HD1 PHE 27 HD1 PHE 27 1.723 -9.450 2.971 210 HD2 PHE 27 HD2 PHE 27 2.052 -9.802 -1.283 211 HE1 PHE 27 HE1 PHE 27 2.066 -7.027 2.784 212 HE2 PHE 27 HE2 PHE 27 2.387 -7.377 -1.450 213 HZ PHE 27 HZ PHE 27 2.398 -5.999 0.575 214 H SER 28 H SER 28 1.880 -13.269 3.207 215 HA SER 28 HA SER 28 1.456 -15.824 1.902 216 HB2 SER 28 2HB SER 28 3.652 -16.277 2.748 217 HB3 SER 28 3HB SER 28 3.340 -15.427 4.260 218 HG SER 28 HG SER 28 2.265 -17.115 5.019 219 H LYS 29 H LYS 29 1.549 -14.555 5.254 220 HA LYS 29 HA LYS 29 -1.376 -15.012 5.479 221 HB2 LYS 29 2HB LYS 29 0.769 -15.578 7.563 222 HB3 LYS 29 3HB LYS 29 -0.954 -15.685 7.867 223 HG2 LYS 29 2HG LYS 29 0.455 -17.419 5.811 224 HG3 LYS 29 3HG LYS 29 0.315 -17.871 7.507 225 HD2 LYS 29 2HD LYS 29 -1.477 -19.019 6.507 226 HD3 LYS 29 3HD LYS 29 -2.250 -17.590 7.183 227 HE2 LYS 29 2HE LYS 29 -2.169 -16.551 4.900 228 HE3 LYS 29 3HE LYS 29 -1.520 -18.064 4.276 229 HZ1 LYS 29 3HZ LYS 29 -3.896 -17.895 3.945 230 HZ2 LYS 29 1HZ LYS 29 -4.147 -17.735 5.607 231 HZ3 LYS 29 2HZ LYS 29 -3.532 -19.173 4.984 232 H ALA 30 H ALA 30 -1.995 -13.956 7.781 233 HA ALA 30 HA ALA 30 -2.259 -11.239 7.112 234 HB1 ALA 30 3HB ALA 30 -3.991 -12.533 8.273 235 HB2 ALA 30 1HB ALA 30 -3.578 -11.073 9.172 236 HB3 ALA 30 2HB ALA 30 -2.969 -12.644 9.709 237 H GLU 31 H GLU 31 -0.350 -12.829 9.684 238 HA GLU 31 HA GLU 31 0.294 -10.424 11.091 239 HB2 GLU 31 2HB GLU 31 1.668 -13.138 11.222 240 HB3 GLU 31 3HB GLU 31 1.825 -11.844 12.410 241 HG2 GLU 31 2HG GLU 31 -0.559 -12.047 12.982 242 HG3 GLU 31 3HG GLU 31 -0.764 -13.288 11.748 243 H GLU 32 H GLU 32 1.997 -12.363 8.683 244 HA GLU 32 HA GLU 32 4.399 -10.874 8.517 245 HB2 GLU 32 2HB GLU 32 2.928 -12.533 6.424 246 HB3 GLU 32 3HB GLU 32 4.572 -11.927 6.223 247 HG2 GLU 32 2HG GLU 32 5.443 -13.350 7.903 248 HG3 GLU 32 3HG GLU 32 3.847 -13.672 8.585 249 H ALA 33 H ALA 33 1.308 -10.666 6.749 250 HA ALA 33 HA ALA 33 1.926 -8.626 4.946 251 HB1 ALA 33 3HB ALA 33 -0.084 -10.033 4.752 252 HB2 ALA 33 1HB ALA 33 -0.505 -8.321 4.703 253 HB3 ALA 33 2HB ALA 33 -0.785 -9.257 6.175 254 H LYS 34 H LYS 34 0.506 -8.377 8.222 255 HA LYS 34 HA LYS 34 0.139 -5.559 8.237 256 HB2 LYS 34 2HB LYS 34 0.407 -7.502 10.566 257 HB3 LYS 34 3HB LYS 34 -0.117 -5.828 10.724 258 HG2 LYS 34 2HG LYS 34 -2.118 -6.302 9.371 259 HG3 LYS 34 3HG LYS 34 -1.589 -7.971 9.144 260 HD2 LYS 34 2HD LYS 34 -2.330 -6.669 11.800 261 HD3 LYS 34 3HD LYS 34 -3.306 -7.839 10.910 262 HE2 LYS 34 2HE LYS 34 -1.604 -9.572 11.260 263 HE3 LYS 34 3HE LYS 34 -0.545 -8.407 12.060 264 HZ1 LYS 34 3HZ LYS 34 -1.694 -9.748 13.678 265 HZ2 LYS 34 1HZ LYS 34 -3.198 -9.318 13.031 266 HZ3 LYS 34 2HZ LYS 34 -2.242 -8.152 13.787 267 H GLU 35 H GLU 35 2.895 -7.598 9.047 268 HA GLU 35 HA GLU 35 4.453 -5.577 10.335 269 HB2 GLU 35 2HB GLU 35 4.883 -8.014 10.594 270 HB3 GLU 35 3HB GLU 35 5.360 -8.103 8.903 271 HG2 GLU 35 2HG GLU 35 7.330 -8.080 10.341 272 HG3 GLU 35 3HG GLU 35 7.278 -6.622 9.355 273 H LEU 36 H LEU 36 4.278 -6.813 6.985 274 HA LEU 36 HA LEU 36 6.142 -5.019 5.821 275 HB2 LEU 36 2HB LEU 36 3.959 -6.796 4.738 276 HB3 LEU 36 3HB LEU 36 4.648 -5.589 3.672 277 HG LEU 36 HG LEU 36 5.771 -7.655 3.233 278 HD11 LEU 36 1HD1 LEU 36 8.114 -7.103 3.625 279 HD12 LEU 36 2HD1 LEU 36 7.662 -5.917 4.850 280 HD13 LEU 36 3HD1 LEU 36 7.201 -5.669 3.163 281 HD21 LEU 36 3HD2 LEU 36 7.012 -8.958 4.915 282 HD22 LEU 36 1HD2 LEU 36 5.292 -8.881 5.290 283 HD23 LEU 36 2HD2 LEU 36 6.434 -7.880 6.191 284 H LEU 37 H LEU 37 2.751 -4.750 6.573 285 HA LEU 37 HA LEU 37 1.967 -2.470 5.155 286 HB2 LEU 37 2HB LEU 37 0.373 -3.884 6.237 287 HB3 LEU 37 3HB LEU 37 1.121 -3.688 7.796 288 HG LEU 37 HG LEU 37 -0.218 -1.293 6.503 289 HD11 LEU 37 1HD1 LEU 37 -2.343 -1.938 7.583 290 HD12 LEU 37 2HD1 LEU 37 -1.645 -3.498 8.024 291 HD13 LEU 37 3HD1 LEU 37 -1.871 -3.077 6.323 292 HD21 LEU 37 3HD2 LEU 37 0.092 -2.139 9.416 293 HD22 LEU 37 1HD2 LEU 37 -0.664 -0.642 8.851 294 HD23 LEU 37 2HD2 LEU 37 1.058 -0.912 8.597 295 H LYS 38 H LYS 38 3.377 -2.818 8.366 296 HA LYS 38 HA LYS 38 3.474 -0.195 9.274 297 HB2 LYS 38 2HB LYS 38 3.896 -2.245 10.602 298 HB3 LYS 38 3HB LYS 38 5.408 -2.501 9.742 299 HG2 LYS 38 2HG LYS 38 6.265 -0.357 10.726 300 HG3 LYS 38 3HG LYS 38 4.772 -0.231 11.659 301 HD2 LYS 38 2HD LYS 38 6.847 -2.450 11.853 302 HD3 LYS 38 3HD LYS 38 6.548 -1.191 13.050 303 HE2 LYS 38 2HE LYS 38 4.348 -2.116 13.551 304 HE3 LYS 38 3HE LYS 38 4.500 -3.287 12.239 305 HZ1 LYS 38 3HZ LYS 38 6.324 -4.326 13.402 306 HZ2 LYS 38 1HZ LYS 38 4.961 -4.270 14.403 307 HZ3 LYS 38 2HZ LYS 38 6.234 -3.186 14.646 308 H LYS 39 H LYS 39 5.712 -1.986 7.232 309 HA LYS 39 HA LYS 39 7.811 -0.046 7.178 310 HB2 LYS 39 2HB LYS 39 8.178 -2.484 6.885 311 HB3 LYS 39 3HB LYS 39 7.298 -2.429 5.362 312 HG2 LYS 39 2HG LYS 39 9.027 -0.940 4.417 313 HG3 LYS 39 3HG LYS 39 9.908 -0.996 5.950 314 HD2 LYS 39 2HD LYS 39 10.204 -3.448 5.687 315 HD3 LYS 39 3HD LYS 39 9.312 -3.392 4.162 316 HE2 LYS 39 2HE LYS 39 11.060 -1.897 3.231 317 HE3 LYS 39 3HE LYS 39 11.959 -2.031 4.744 318 HZ1 LYS 39 3HZ LYS 39 12.073 -4.440 4.357 319 HZ2 LYS 39 1HZ LYS 39 12.844 -3.544 3.153 320 HZ3 LYS 39 2HZ LYS 39 11.330 -4.230 2.857 321 H VAL 40 H VAL 40 5.320 -1.044 4.783 322 HA VAL 40 HA VAL 40 6.128 0.781 2.750 323 HB VAL 40 HB VAL 40 3.438 -0.628 3.127 324 HG11 VAL 40 1HG1 VAL 40 3.057 -0.247 0.709 325 HG12 VAL 40 2HG1 VAL 40 4.541 0.703 0.617 326 HG13 VAL 40 3HG1 VAL 40 3.183 1.282 1.584 327 HG21 VAL 40 3HG2 VAL 40 5.843 -1.422 1.439 328 HG22 VAL 40 1HG2 VAL 40 4.302 -2.284 1.510 329 HG23 VAL 40 2HG2 VAL 40 5.332 -2.199 2.939 330 H ALA 41 H ALA 41 3.917 1.011 5.468 331 HA ALA 41 HA ALA 41 2.512 3.349 4.810 332 HB1 ALA 41 3HB ALA 41 3.228 2.338 7.582 333 HB2 ALA 41 1HB ALA 41 1.832 1.828 6.631 334 HB3 ALA 41 2HB ALA 41 1.953 3.498 7.189 335 H GLU 42 H GLU 42 5.527 2.915 6.715 336 HA GLU 42 HA GLU 42 5.878 5.726 7.191 337 HB2 GLU 42 2HB GLU 42 8.072 5.118 8.161 338 HB3 GLU 42 3HB GLU 42 6.773 4.123 8.813 339 HG2 GLU 42 2HG GLU 42 7.474 2.202 7.630 340 HG3 GLU 42 3HG GLU 42 8.463 3.134 6.512 341 H LYS 43 H LYS 43 7.092 3.440 4.760 342 HA LYS 43 HA LYS 43 9.269 5.064 3.854 343 HB2 LYS 43 2HB LYS 43 7.914 2.622 2.655 344 HB3 LYS 43 3HB LYS 43 9.268 3.414 1.867 345 HG2 LYS 43 2HG LYS 43 9.561 2.448 4.721 346 HG3 LYS 43 3HG LYS 43 9.659 1.298 3.393 347 HD2 LYS 43 2HD LYS 43 11.901 1.948 3.979 348 HD3 LYS 43 3HD LYS 43 11.527 2.654 2.410 349 HE2 LYS 43 2HE LYS 43 12.764 4.245 3.790 350 HE3 LYS 43 3HE LYS 43 11.128 4.838 3.513 351 HZ1 LYS 43 3HZ LYS 43 12.228 3.651 5.993 352 HZ2 LYS 43 1HZ LYS 43 10.573 3.914 5.756 353 HZ3 LYS 43 2HZ LYS 43 11.647 5.218 5.757 354 H ALA 44 H ALA 44 5.947 4.574 2.671 355 HA ALA 44 HA ALA 44 6.169 6.408 0.466 356 HB1 ALA 44 3HB ALA 44 4.473 4.624 0.496 357 HB2 ALA 44 1HB ALA 44 3.713 6.210 0.340 358 HB3 ALA 44 2HB ALA 44 3.698 5.370 1.894 359 H ALA 45 H ALA 45 5.302 6.627 3.873 360 HA ALA 45 HA ALA 45 4.269 9.251 3.954 361 HB1 ALA 45 3HB ALA 45 3.991 7.657 5.798 362 HB2 ALA 45 1HB ALA 45 4.717 9.159 6.369 363 HB3 ALA 45 2HB ALA 45 5.721 7.723 6.140 364 H ASP 46 H ASP 46 7.577 7.994 4.021 365 HA ASP 46 HA ASP 46 8.994 10.310 4.784 366 HB2 ASP 46 2HB ASP 46 9.763 7.890 3.115 367 HB3 ASP 46 3HB ASP 46 10.905 9.202 3.348 368 H LYS 47 H LYS 47 7.811 9.207 1.652 369 HA LYS 47 HA LYS 47 9.135 11.176 0.048 370 HB2 LYS 47 2HB LYS 47 6.681 9.521 -0.669 371 HB3 LYS 47 3HB LYS 47 7.766 10.320 -1.796 372 HG2 LYS 47 2HG LYS 47 8.462 7.974 -0.001 373 HG3 LYS 47 3HG LYS 47 8.154 7.900 -1.735 374 HD2 LYS 47 2HD LYS 47 10.167 9.399 -2.082 375 HD3 LYS 47 3HD LYS 47 10.493 9.269 -0.350 376 HE2 LYS 47 2HE LYS 47 10.693 6.794 -0.608 377 HE3 LYS 47 3HE LYS 47 10.449 6.974 -2.347 378 HZ1 LYS 47 3HZ LYS 47 12.458 8.364 -2.404 379 HZ2 LYS 47 1HZ LYS 47 12.778 6.798 -1.855 380 HZ3 LYS 47 2HZ LYS 47 12.695 8.080 -0.760 381 H ILE 48 H ILE 48 5.915 10.933 1.542 382 HA ILE 48 HA ILE 48 4.849 13.364 0.464 383 HB ILE 48 HB ILE 48 3.965 11.951 3.026 384 HG12 ILE 48 2HG1 ILE 48 2.991 11.577 0.156 385 HG13 ILE 48 3HG1 ILE 48 3.844 10.386 1.131 386 HG21 ILE 48 1HG2 ILE 48 2.434 13.901 1.252 387 HG22 ILE 48 2HG2 ILE 48 3.123 14.284 2.828 388 HG23 ILE 48 3HG2 ILE 48 1.809 13.115 2.704 389 HD11 ILE 48 3HD1 ILE 48 1.512 9.849 1.003 390 HD12 ILE 48 1HD1 ILE 48 1.064 11.439 1.620 391 HD13 ILE 48 2HD1 ILE 48 1.922 10.296 2.659 392 H LYS 49 H LYS 49 6.740 12.511 3.262 393 HA LYS 49 HA LYS 49 6.490 14.865 4.799 394 HB2 LYS 49 2HB LYS 49 7.248 12.728 5.722 395 HB3 LYS 49 3HB LYS 49 8.682 12.761 4.704 396 HG2 LYS 49 2HG LYS 49 9.554 14.689 5.954 397 HG3 LYS 49 3HG LYS 49 8.082 14.739 6.931 398 HD2 LYS 49 2HD LYS 49 9.947 13.630 8.141 399 HD3 LYS 49 3HD LYS 49 8.594 12.529 7.879 400 HE2 LYS 49 2HE LYS 49 9.827 11.589 5.896 401 HE3 LYS 49 3HE LYS 49 11.200 12.613 6.317 402 HZ1 LYS 49 3HZ LYS 49 11.469 10.381 7.164 403 HZ2 LYS 49 1HZ LYS 49 10.019 10.495 8.026 404 HZ3 LYS 49 2HZ LYS 49 11.335 11.473 8.447 405 H LYS 50 H LYS 50 8.607 13.987 2.103 406 HA LYS 50 HA LYS 50 10.281 16.308 2.176 407 HB2 LYS 50 2HB LYS 50 9.609 14.296 0.006 408 HB3 LYS 50 3HB LYS 50 10.569 15.722 -0.368 409 HG2 LYS 50 2HG LYS 50 12.192 14.970 1.448 410 HG3 LYS 50 3HG LYS 50 11.296 13.446 1.503 411 HD2 LYS 50 2HD LYS 50 11.853 12.943 -0.797 412 HD3 LYS 50 3HD LYS 50 12.485 14.568 -1.066 413 HE2 LYS 50 2HE LYS 50 14.356 13.068 -0.875 414 HE3 LYS 50 3HE LYS 50 14.313 14.060 0.579 415 HZ1 LYS 50 3HZ LYS 50 13.289 11.281 0.379 416 HZ2 LYS 50 1HZ LYS 50 13.333 12.236 1.777 417 HZ3 LYS 50 2HZ LYS 50 14.770 11.737 1.051 418 H GLN 51 H GLN 51 7.298 15.519 0.350 419 HA GLN 51 HA GLN 51 6.590 18.328 0.043 420 HB2 GLN 51 2HB GLN 51 8.118 18.110 -1.860 421 HB3 GLN 51 3HB GLN 51 7.331 16.627 -2.385 422 HG2 GLN 51 2HG GLN 51 5.238 17.964 -2.824 423 HG3 GLN 51 3HG GLN 51 6.147 19.425 -2.433 424 HE21 GLN 51 1HE2 GLN 51 5.698 20.203 -4.536 425 HE22 GLN 51 2HE2 GLN 51 6.558 19.622 -5.916 426 H GLY 52 H GLY 52 5.945 15.099 -1.352 427 HA2 GLY 52 2HA GLY 52 3.525 14.413 -0.431 428 HA3 GLY 52 3HA GLY 52 3.094 15.646 -1.614 429 H CYS 53 H CYS 53 3.351 12.393 -1.255 430 HA CYS 53 HA CYS 53 4.502 11.513 -3.673 431 HB2 CYS 53 2HB CYS 53 2.295 10.222 -2.012 432 HB3 CYS 53 3HB CYS 53 3.149 9.428 -3.335 433 HG CYS 53 HG CYS 53 4.074 8.464 -0.863 434 H LYS 54 H LYS 54 1.362 12.843 -2.887 435 HA LYS 54 HA LYS 54 -0.400 13.624 -4.038 436 HB2 LYS 54 2HB LYS 54 0.996 12.856 -6.619 437 HB3 LYS 54 3HB LYS 54 -0.386 13.929 -6.468 438 HG2 LYS 54 2HG LYS 54 0.920 15.710 -5.625 439 HG3 LYS 54 3HG LYS 54 2.226 14.641 -5.105 440 HD2 LYS 54 2HD LYS 54 1.531 15.343 -7.992 441 HD3 LYS 54 3HD LYS 54 2.919 15.942 -7.081 442 HE2 LYS 54 2HE LYS 54 3.811 13.638 -6.913 443 HE3 LYS 54 3HE LYS 54 2.415 13.025 -7.796 444 HZ1 LYS 54 3HZ LYS 54 4.606 14.724 -8.812 445 HZ2 LYS 54 1HZ LYS 54 3.149 14.526 -9.647 446 HZ3 LYS 54 2HZ LYS 54 4.126 13.190 -9.334 447 H ARG 55 H ARG 55 0.834 10.798 -5.820 448 HA ARG 55 HA ARG 55 -1.627 9.266 -5.222 449 HB2 ARG 55 2HB ARG 55 0.047 9.170 -7.791 450 HB3 ARG 55 3HB ARG 55 -1.404 8.226 -7.456 451 HG2 ARG 55 2HG ARG 55 -2.811 10.172 -7.576 452 HG3 ARG 55 3HG ARG 55 -1.419 11.253 -7.581 453 HD2 ARG 55 2HD ARG 55 -2.125 9.300 -9.796 454 HD3 ARG 55 3HD ARG 55 -2.433 11.042 -9.821 455 HE ARG 55 HE ARG 55 0.293 10.684 -9.316 456 HH11 ARG 55 1HH1 ARG 55 -1.925 10.087 -11.984 457 HH12 ARG 55 2HH1 ARG 55 -0.695 10.261 -13.192 458 HH21 ARG 55 1HH2 ARG 55 1.881 10.901 -10.912 459 HH22 ARG 55 2HH2 ARG 55 1.457 10.721 -12.587 460 H VAL 56 H VAL 56 -1.114 7.430 -4.132 461 HA VAL 56 HA VAL 56 1.569 6.189 -4.435 462 HB VAL 56 HB VAL 56 -0.492 5.858 -2.170 463 HG11 VAL 56 1HG1 VAL 56 0.705 3.752 -2.535 464 HG12 VAL 56 2HG1 VAL 56 1.214 4.486 -1.014 465 HG13 VAL 56 3HG1 VAL 56 2.255 4.591 -2.434 466 HG21 VAL 56 3HG2 VAL 56 1.148 6.983 -0.711 467 HG22 VAL 56 1HG2 VAL 56 0.655 8.034 -2.043 468 HG23 VAL 56 2HG2 VAL 56 2.224 7.225 -2.090 469 H LYS 57 H LYS 57 1.513 4.370 -5.678 470 HA LYS 57 HA LYS 57 -1.099 3.144 -6.330 471 HB2 LYS 57 2HB LYS 57 1.572 3.133 -7.791 472 HB3 LYS 57 3HB LYS 57 0.190 2.175 -8.307 473 HG2 LYS 57 2HG LYS 57 0.252 5.207 -8.109 474 HG3 LYS 57 3HG LYS 57 0.425 4.277 -9.599 475 HD2 LYS 57 2HD LYS 57 -2.027 4.237 -7.795 476 HD3 LYS 57 3HD LYS 57 -1.879 5.171 -9.284 477 HE2 LYS 57 2HE LYS 57 -1.782 3.187 -10.630 478 HE3 LYS 57 3HE LYS 57 -1.586 2.153 -9.212 479 HZ1 LYS 57 3HZ LYS 57 -4.000 3.774 -9.797 480 HZ2 LYS 57 1HZ LYS 57 -3.798 2.675 -8.525 481 HZ3 LYS 57 2HZ LYS 57 -3.837 2.120 -10.121 482 H ILE 58 H ILE 58 -1.551 1.412 -5.139 483 HA ILE 58 HA ILE 58 0.570 -0.542 -4.459 484 HB ILE 58 HB ILE 58 -2.329 -0.416 -3.502 485 HG12 ILE 58 2HG1 ILE 58 -1.080 1.512 -2.602 486 HG13 ILE 58 3HG1 ILE 58 -1.485 0.382 -1.319 487 HG21 ILE 58 1HG2 ILE 58 -0.073 -2.175 -2.504 488 HG22 ILE 58 2HG2 ILE 58 -1.468 -2.703 -3.446 489 HG23 ILE 58 3HG2 ILE 58 -1.694 -2.087 -1.807 490 HD11 ILE 58 3HD1 ILE 58 1.216 0.706 -2.622 491 HD12 ILE 58 1HD1 ILE 58 0.825 -0.459 -1.352 492 HD13 ILE 58 2HD1 ILE 58 0.733 1.271 -1.023 493 H ARG 59 H ARG 59 0.821 -1.959 -6.090 494 HA ARG 59 HA ARG 59 -1.547 -3.034 -7.517 495 HB2 ARG 59 2HB ARG 59 1.251 -2.526 -8.616 496 HB3 ARG 59 3HB ARG 59 -0.020 -3.373 -9.485 497 HG2 ARG 59 2HG ARG 59 -1.357 -1.374 -9.647 498 HG3 ARG 59 3HG ARG 59 -0.290 -0.499 -8.543 499 HD2 ARG 59 2HD ARG 59 -0.010 0.067 -11.009 500 HD3 ARG 59 3HD ARG 59 1.464 -0.399 -10.164 501 HE ARG 59 HE ARG 59 1.679 -2.160 -11.566 502 HH11 ARG 59 1HH1 ARG 59 -1.688 -1.151 -11.796 503 HH12 ARG 59 2HH1 ARG 59 -2.037 -2.244 -13.089 504 HH21 ARG 59 1HH2 ARG 59 1.191 -3.601 -13.233 505 HH22 ARG 59 2HH2 ARG 59 -0.409 -3.635 -13.907 506 H PHE 60 H PHE 60 -1.667 -5.238 -7.579 507 HA PHE 60 HA PHE 60 0.335 -6.760 -6.036 508 HB2 PHE 60 2HB PHE 60 -1.281 -5.869 -4.425 509 HB3 PHE 60 3HB PHE 60 -2.639 -6.422 -5.402 510 HD1 PHE 60 HD1 PHE 60 -3.199 -8.877 -5.515 511 HD2 PHE 60 HD2 PHE 60 -0.144 -7.402 -2.908 512 HE1 PHE 60 HE1 PHE 60 -3.236 -10.997 -4.272 513 HE2 PHE 60 HE2 PHE 60 -0.186 -9.531 -1.681 514 HZ PHE 60 HZ PHE 60 -1.726 -11.324 -2.359 515 H GLU 61 H GLU 61 0.603 -8.761 -6.721 516 HA GLU 61 HA GLU 61 -1.126 -9.932 -8.810 517 HB2 GLU 61 2HB GLU 61 1.193 -9.488 -9.528 518 HB3 GLU 61 3HB GLU 61 1.820 -10.382 -8.150 519 HG2 GLU 61 2HG GLU 61 0.809 -12.463 -9.079 520 HG3 GLU 61 3HG GLU 61 0.259 -11.545 -10.481 521 H LYS 62 H LYS 62 -2.115 -11.909 -8.346 522 HA LYS 62 HA LYS 62 -1.003 -13.532 -6.139 523 HB2 LYS 62 2HB LYS 62 -3.233 -14.450 -5.680 524 HB3 LYS 62 3HB LYS 62 -3.176 -12.721 -5.393 525 HG2 LYS 62 2HG LYS 62 -4.720 -12.247 -7.026 526 HG3 LYS 62 3HG LYS 62 -4.170 -13.539 -8.089 527 HD2 LYS 62 2HD LYS 62 -5.814 -13.998 -5.566 528 HD3 LYS 62 3HD LYS 62 -6.499 -13.862 -7.186 529 HE2 LYS 62 2HE LYS 62 -5.214 -15.841 -7.907 530 HE3 LYS 62 3HE LYS 62 -4.494 -15.964 -6.301 531 HZ1 LYS 62 3HZ LYS 62 -6.747 -16.301 -5.409 532 HZ2 LYS 62 1HZ LYS 62 -6.288 -17.509 -6.494 533 HZ3 LYS 62 2HZ LYS 62 -7.362 -16.302 -6.982 534 H LYS 63 H LYS 63 -0.336 -15.459 -6.721 535 HA LYS 63 HA LYS 63 -1.546 -16.944 -8.949 536 HB2 LYS 63 2HB LYS 63 1.447 -16.459 -8.620 537 HB3 LYS 63 3HB LYS 63 0.791 -17.736 -9.639 538 HG2 LYS 63 2HG LYS 63 -0.323 -16.068 -11.053 539 HG3 LYS 63 3HG LYS 63 0.280 -14.768 -10.020 540 HD2 LYS 63 2HD LYS 63 2.603 -15.332 -10.646 541 HD3 LYS 63 3HD LYS 63 2.025 -16.677 -11.637 542 HE2 LYS 63 2HE LYS 63 0.883 -15.132 -13.139 543 HE3 LYS 63 3HE LYS 63 1.308 -13.763 -12.108 544 HZ1 LYS 63 3HZ LYS 63 2.771 -13.867 -13.979 545 HZ2 LYS 63 1HZ LYS 63 3.197 -15.467 -13.640 546 HZ3 LYS 63 2HZ LYS 63 3.650 -14.223 -12.585 547 H GLY 64 H GLY 64 0.213 -16.854 -5.919 548 HA2 GLY 64 2HA GLY 64 -0.380 -19.714 -5.445 549 HA3 GLY 64 3HA GLY 64 1.254 -19.105 -5.225 550 H LEU 65 H LEU 65 -2.010 -17.954 -4.312 551 HA LEU 65 HA LEU 65 -1.254 -18.186 -1.457 552 HB2 LEU 65 2HB LEU 65 -2.757 -16.201 -1.000 553 HB3 LEU 65 3HB LEU 65 -1.247 -15.838 -1.798 554 HG LEU 65 HG LEU 65 -2.466 -15.476 -3.950 555 HD11 LEU 65 1HD1 LEU 65 -5.015 -15.894 -2.371 556 HD12 LEU 65 2HD1 LEU 65 -4.398 -16.946 -3.647 557 HD13 LEU 65 3HD1 LEU 65 -4.902 -15.303 -4.033 558 HD21 LEU 65 3HD2 LEU 65 -3.618 -13.366 -3.313 559 HD22 LEU 65 1HD2 LEU 65 -2.048 -13.546 -2.537 560 HD23 LEU 65 2HD2 LEU 65 -3.520 -13.845 -1.615 561 H ASP 66 H ASP 66 -3.500 -17.942 -0.150 562 HA ASP 66 HA ASP 66 -5.533 -19.730 -1.381 563 HB2 ASP 66 2HB ASP 66 -6.028 -20.593 0.840 564 HB3 ASP 66 3HB ASP 66 -4.300 -20.757 0.554 565 H ASP 67 H ASP 67 -7.705 -19.373 0.067 566 HA ASP 67 HA ASP 67 -8.730 -16.874 -0.705 567 HB2 ASP 67 2HB ASP 67 -9.866 -18.897 1.267 568 HB3 ASP 67 3HB ASP 67 -10.755 -17.487 0.698 569 H ASP 68 H ASP 68 -7.411 -17.956 2.408 570 HA ASP 68 HA ASP 68 -8.202 -15.726 3.971 571 HB2 ASP 68 2HB ASP 68 -7.417 -17.783 5.044 572 HB3 ASP 68 3HB ASP 68 -5.825 -17.606 4.312 573 H ALA 69 H ALA 69 -5.083 -16.457 2.335 574 HA ALA 69 HA ALA 69 -3.770 -14.042 2.931 575 HB1 ALA 69 3HB ALA 69 -2.229 -14.647 1.117 576 HB2 ALA 69 1HB ALA 69 -3.381 -15.860 0.537 577 HB3 ALA 69 2HB ALA 69 -2.620 -16.045 2.119 578 H ARG 70 H ARG 70 -5.914 -14.903 0.290 579 HA ARG 70 HA ARG 70 -5.634 -12.638 -1.379 580 HB2 ARG 70 2HB ARG 70 -6.644 -14.865 -1.982 581 HB3 ARG 70 3HB ARG 70 -8.037 -14.495 -0.990 582 HG2 ARG 70 2HG ARG 70 -7.276 -12.787 -3.381 583 HG3 ARG 70 3HG ARG 70 -8.246 -14.245 -3.552 584 HD2 ARG 70 2HD ARG 70 -9.910 -13.244 -1.946 585 HD3 ARG 70 3HD ARG 70 -8.967 -11.751 -1.978 586 HE ARG 70 HE ARG 70 -9.832 -12.735 -4.568 587 HH11 ARG 70 1HH1 ARG 70 -10.624 -10.612 -1.873 588 HH12 ARG 70 2HH1 ARG 70 -11.724 -9.650 -2.800 589 HH21 ARG 70 1HH2 ARG 70 -11.341 -11.520 -5.730 590 HH22 ARG 70 2HH2 ARG 70 -12.125 -10.172 -4.988 591 H LYS 71 H LYS 71 -7.849 -13.427 1.263 592 HA LYS 71 HA LYS 71 -9.469 -11.111 1.230 593 HB2 LYS 71 2HB LYS 71 -10.145 -13.249 2.278 594 HB3 LYS 71 3HB LYS 71 -8.848 -13.097 3.451 595 HG2 LYS 71 2HG LYS 71 -10.821 -12.505 4.599 596 HG3 LYS 71 3HG LYS 71 -9.989 -10.983 4.284 597 HD2 LYS 71 2HD LYS 71 -11.508 -10.545 2.380 598 HD3 LYS 71 3HD LYS 71 -12.317 -12.090 2.665 599 HE2 LYS 71 2HE LYS 71 -12.884 -11.221 5.000 600 HE3 LYS 71 3HE LYS 71 -12.309 -9.642 4.460 601 HZ1 LYS 71 3HZ LYS 71 -14.587 -11.197 3.375 602 HZ2 LYS 71 1HZ LYS 71 -13.963 -9.820 2.625 603 HZ3 LYS 71 2HZ LYS 71 -14.642 -9.707 4.169 604 H LYS 72 H LYS 72 -6.542 -11.997 3.038 605 HA LYS 72 HA LYS 72 -6.565 -9.709 4.766 606 HB2 LYS 72 2HB LYS 72 -4.257 -11.638 4.243 607 HB3 LYS 72 3HB LYS 72 -4.387 -10.510 5.586 608 HG2 LYS 72 2HG LYS 72 -5.978 -13.039 5.118 609 HG3 LYS 72 3HG LYS 72 -4.870 -12.689 6.436 610 HD2 LYS 72 2HD LYS 72 -7.567 -11.349 5.990 611 HD3 LYS 72 3HD LYS 72 -7.241 -12.640 7.145 612 HE2 LYS 72 2HE LYS 72 -5.666 -11.151 8.349 613 HE3 LYS 72 3HE LYS 72 -6.032 -9.854 7.207 614 HZ1 LYS 72 3HZ LYS 72 -8.287 -9.838 7.946 615 HZ2 LYS 72 1HZ LYS 72 -7.289 -9.715 9.299 616 HZ3 LYS 72 2HZ LYS 72 -8.042 -11.180 8.937 617 H ALA 73 H ALA 73 -5.096 -10.513 1.677 618 HA ALA 73 HA ALA 73 -3.249 -8.315 1.520 619 HB1 ALA 73 3HB ALA 73 -4.446 -10.032 -0.685 620 HB2 ALA 73 1HB ALA 73 -2.955 -10.368 0.201 621 HB3 ALA 73 2HB ALA 73 -3.055 -8.955 -0.849 622 H LYS 74 H LYS 74 -6.549 -8.901 0.349 623 HA LYS 74 HA LYS 74 -7.057 -6.457 -0.946 624 HB2 LYS 74 2HB LYS 74 -8.584 -8.309 -1.234 625 HB3 LYS 74 3HB LYS 74 -8.887 -8.431 0.488 626 HG2 LYS 74 2HG LYS 74 -9.697 -5.902 -0.940 627 HG3 LYS 74 3HG LYS 74 -10.677 -7.350 -1.171 628 HD2 LYS 74 2HD LYS 74 -11.146 -7.488 1.218 629 HD3 LYS 74 3HD LYS 74 -10.009 -6.184 1.565 630 HE2 LYS 74 2HE LYS 74 -12.299 -5.355 1.679 631 HE3 LYS 74 3HE LYS 74 -11.467 -4.609 0.316 632 HZ1 LYS 74 3HZ LYS 74 -13.744 -5.345 -0.190 633 HZ2 LYS 74 1HZ LYS 74 -13.290 -6.945 0.101 634 HZ3 LYS 74 2HZ LYS 74 -12.592 -6.088 -1.177 635 H LYS 75 H LYS 75 -7.500 -7.468 2.394 636 HA LYS 75 HA LYS 75 -8.512 -5.023 3.435 637 HB2 LYS 75 2HB LYS 75 -8.894 -7.327 4.385 638 HB3 LYS 75 3HB LYS 75 -7.211 -7.372 4.884 639 HG2 LYS 75 2HG LYS 75 -8.633 -6.866 6.781 640 HG3 LYS 75 3HG LYS 75 -7.627 -5.461 6.410 641 HD2 LYS 75 2HD LYS 75 -9.510 -4.344 5.322 642 HD3 LYS 75 3HD LYS 75 -10.524 -5.781 5.515 643 HE2 LYS 75 2HE LYS 75 -11.063 -4.062 7.195 644 HE3 LYS 75 3HE LYS 75 -10.437 -5.522 7.964 645 HZ1 LYS 75 3HZ LYS 75 -8.292 -4.444 8.177 646 HZ2 LYS 75 1HZ LYS 75 -9.494 -3.514 8.914 647 HZ3 LYS 75 2HZ LYS 75 -8.877 -3.055 7.411 648 H TRP 76 H TRP 76 -5.320 -6.368 2.966 649 HA TRP 76 HA TRP 76 -3.753 -4.841 4.726 650 HB2 TRP 76 2HB TRP 76 -2.906 -6.861 3.574 651 HB3 TRP 76 3HB TRP 76 -3.021 -6.054 2.015 652 HD1 TRP 76 HD1 TRP 76 -0.984 -5.919 5.291 653 HE1 TRP 76 HE1 TRP 76 1.310 -4.902 4.786 654 HE3 TRP 76 HE3 TRP 76 -1.668 -4.626 0.373 655 HZ2 TRP 76 HZ2 TRP 76 2.662 -3.706 2.675 656 HZ3 TRP 76 HZ3 TRP 76 0.200 -3.543 -0.819 657 HH2 TRP 76 HH2 TRP 76 2.335 -3.095 0.312 658 H ALA 77 H ALA 77 -4.417 -4.406 1.260 659 HA ALA 77 HA ALA 77 -2.938 -2.058 0.873 660 HB1 ALA 77 3HB ALA 77 -3.616 -3.567 -0.926 661 HB2 ALA 77 1HB ALA 77 -4.125 -1.912 -1.266 662 HB3 ALA 77 2HB ALA 77 -5.304 -3.102 -0.701 663 H LEU 78 H LEU 78 -6.266 -2.532 1.926 664 HA LEU 78 HA LEU 78 -7.193 0.146 1.800 665 HB2 LEU 78 2HB LEU 78 -7.966 -2.148 3.645 666 HB3 LEU 78 3HB LEU 78 -8.832 -0.621 3.589 667 HG LEU 78 HG LEU 78 -8.598 -2.590 1.278 668 HD11 LEU 78 1HD1 LEU 78 -10.009 -3.474 3.075 669 HD12 LEU 78 2HD1 LEU 78 -10.979 -3.052 1.667 670 HD13 LEU 78 3HD1 LEU 78 -10.968 -1.990 3.079 671 HD21 LEU 78 3HD2 LEU 78 -8.768 -0.273 0.490 672 HD22 LEU 78 1HD2 LEU 78 -10.204 -0.021 1.489 673 HD23 LEU 78 2HD2 LEU 78 -10.245 -1.165 0.145 674 H GLU 79 H GLU 79 -5.711 -1.760 4.423 675 HA GLU 79 HA GLU 79 -5.861 0.273 6.393 676 HB2 GLU 79 2HB GLU 79 -4.185 -2.260 6.268 677 HB3 GLU 79 3HB GLU 79 -4.295 -1.227 7.688 678 HG2 GLU 79 2HG GLU 79 -6.576 -2.745 6.402 679 HG3 GLU 79 3HG GLU 79 -5.742 -3.177 7.893 680 H VAL 80 H VAL 80 -3.254 -0.757 4.207 681 HA VAL 80 HA VAL 80 -1.155 0.858 5.168 682 HB VAL 80 HB VAL 80 -1.699 -0.165 2.335 683 HG11 VAL 80 1HG1 VAL 80 0.898 0.994 3.424 684 HG12 VAL 80 2HG1 VAL 80 -0.138 1.735 2.202 685 HG13 VAL 80 3HG1 VAL 80 0.698 0.222 1.849 686 HG21 VAL 80 3HG2 VAL 80 -0.070 -1.921 2.876 687 HG22 VAL 80 1HG2 VAL 80 -1.423 -1.946 4.006 688 HG23 VAL 80 2HG2 VAL 80 0.125 -1.257 4.499 689 H ALA 81 H ALA 81 -3.564 1.399 2.620 690 HA ALA 81 HA ALA 81 -2.854 3.942 1.745 691 HB1 ALA 81 3HB ALA 81 -5.161 4.069 0.905 692 HB2 ALA 81 1HB ALA 81 -5.612 2.698 1.930 693 HB3 ALA 81 2HB ALA 81 -4.459 2.477 0.614 694 H ASN 82 H ASN 82 -5.119 2.988 4.308 695 HA ASN 82 HA ASN 82 -5.781 5.638 5.146 696 HB2 ASN 82 2HB ASN 82 -6.325 2.882 6.292 697 HB3 ASN 82 3HB ASN 82 -6.695 4.317 7.241 698 HD21 ASN 82 1HD2 ASN 82 -7.613 2.408 4.491 699 HD22 ASN 82 2HD2 ASN 82 -9.069 3.232 4.141 700 H LYS 83 H LYS 83 -3.211 3.401 5.977 701 HA LYS 83 HA LYS 83 -2.509 4.581 8.487 702 HB2 LYS 83 2HB LYS 83 -1.215 2.572 6.654 703 HB3 LYS 83 3HB LYS 83 -0.164 3.376 7.802 704 HG2 LYS 83 2HG LYS 83 -2.687 2.045 8.796 705 HG3 LYS 83 3HG LYS 83 -1.280 1.064 8.397 706 HD2 LYS 83 2HD LYS 83 -1.220 1.506 10.768 707 HD3 LYS 83 3HD LYS 83 0.080 2.427 10.017 708 HE2 LYS 83 2HE LYS 83 -1.422 4.458 10.117 709 HE3 LYS 83 3HE LYS 83 -2.579 3.487 11.026 710 HZ1 LYS 83 3HZ LYS 83 -1.035 3.238 12.780 711 HZ2 LYS 83 1HZ LYS 83 -1.068 4.882 12.393 712 HZ3 LYS 83 2HZ LYS 83 0.222 3.917 11.884 713 H ILE 84 H ILE 84 -1.107 4.884 5.207 714 HA ILE 84 HA ILE 84 0.831 6.859 5.825 715 HB ILE 84 HB ILE 84 -0.544 6.593 3.104 716 HG12 ILE 84 2HG1 ILE 84 1.888 4.950 3.940 717 HG13 ILE 84 3HG1 ILE 84 0.254 4.329 4.066 718 HG21 ILE 84 1HG2 ILE 84 1.653 7.315 2.208 719 HG22 ILE 84 2HG2 ILE 84 2.294 7.414 3.850 720 HG23 ILE 84 3HG2 ILE 84 1.002 8.503 3.342 721 HD11 ILE 84 3HD1 ILE 84 1.567 5.223 1.503 722 HD12 ILE 84 1HD1 ILE 84 -0.045 4.523 1.667 723 HD13 ILE 84 2HD1 ILE 84 1.379 3.556 2.048 724 H ALA 85 H ALA 85 -2.561 7.005 4.854 725 HA ALA 85 HA ALA 85 -2.865 9.824 4.693 726 HB1 ALA 85 3HB ALA 85 -4.955 7.695 5.251 727 HB2 ALA 85 1HB ALA 85 -4.450 8.257 3.657 728 HB3 ALA 85 2HB ALA 85 -5.282 9.360 4.756 729 H ASN 86 H ASN 86 -2.956 7.561 7.400 730 HA ASN 86 HA ASN 86 -4.284 9.317 9.266 731 HB2 ASN 86 2HB ASN 86 -4.382 6.828 9.444 732 HB3 ASN 86 3HB ASN 86 -2.661 6.782 9.805 733 HD21 ASN 86 1HD2 ASN 86 -1.960 7.472 11.870 734 HD22 ASN 86 2HD2 ASN 86 -3.055 7.656 13.189 735 H GLU 87 H GLU 87 -0.907 8.457 8.573 736 HA GLU 87 HA GLU 87 0.228 9.691 10.887 737 HB2 GLU 87 2HB GLU 87 1.663 9.090 8.262 738 HB3 GLU 87 3HB GLU 87 2.399 9.308 9.842 739 HG2 GLU 87 2HG GLU 87 0.733 6.979 8.885 740 HG3 GLU 87 3HG GLU 87 2.431 6.970 9.326 741 H LEU 88 H LEU 88 -0.330 10.784 7.555 742 HA LEU 88 HA LEU 88 0.924 13.394 8.094 743 HB2 LEU 88 2HB LEU 88 0.057 12.096 5.486 744 HB3 LEU 88 3HB LEU 88 0.641 13.743 5.594 745 HG LEU 88 HG LEU 88 2.470 12.461 4.800 746 HD11 LEU 88 1HD1 LEU 88 4.208 12.698 6.490 747 HD12 LEU 88 2HD1 LEU 88 2.989 12.886 7.753 748 HD13 LEU 88 3HD1 LEU 88 3.136 14.096 6.475 749 HD21 LEU 88 3HD2 LEU 88 2.042 10.471 7.040 750 HD22 LEU 88 1HD2 LEU 88 3.354 10.439 5.858 751 HD23 LEU 88 2HD2 LEU 88 1.690 10.224 5.329 752 H GLY 89 H GLY 89 -2.218 12.015 7.986 753 HA2 GLY 89 2HA GLY 89 -4.305 12.985 8.245 754 HA3 GLY 89 3HA GLY 89 -3.538 14.564 8.317 755 H ALA 90 H ALA 90 -4.888 12.107 6.190 756 HA ALA 90 HA ALA 90 -4.969 13.958 3.908 757 HB1 ALA 90 3HB ALA 90 -3.515 11.292 3.796 758 HB2 ALA 90 1HB ALA 90 -2.753 12.886 3.786 759 HB3 ALA 90 2HB ALA 90 -3.779 12.390 2.439 760 H LYS 91 H LYS 91 -5.718 12.422 1.906 761 HA LYS 91 HA LYS 91 -8.476 11.850 2.543 762 HB2 LYS 91 2HB LYS 91 -6.917 11.915 -0.070 763 HB3 LYS 91 3HB LYS 91 -8.650 11.613 0.021 764 HG2 LYS 91 2HG LYS 91 -9.052 13.821 0.942 765 HG3 LYS 91 3HG LYS 91 -7.318 14.134 1.057 766 HD2 LYS 91 2HD LYS 91 -8.360 15.276 -0.883 767 HD3 LYS 91 3HD LYS 91 -7.106 14.139 -1.369 768 HE2 LYS 91 2HE LYS 91 -8.786 12.526 -2.080 769 HE3 LYS 91 3HE LYS 91 -10.083 13.543 -1.446 770 HZ1 LYS 91 3HZ LYS 91 -8.229 14.397 -3.603 771 HZ2 LYS 91 1HZ LYS 91 -9.624 15.191 -3.075 772 HZ3 LYS 91 2HZ LYS 91 -9.746 13.712 -3.882 773 H GLN 92 H GLN 92 -9.321 10.001 0.821 774 HA GLN 92 HA GLN 92 -8.318 7.472 1.928 775 HB2 GLN 92 2HB GLN 92 -10.937 8.178 0.538 776 HB3 GLN 92 3HB GLN 92 -10.536 6.572 1.138 777 HG2 GLN 92 2HG GLN 92 -10.797 9.062 2.860 778 HG3 GLN 92 3HG GLN 92 -12.038 7.828 2.661 779 HE21 GLN 92 1HE2 GLN 92 -8.937 8.561 4.103 780 HE22 GLN 92 2HE2 GLN 92 -8.892 7.193 5.158 781 H SER 93 H SER 93 -8.895 5.572 0.317 782 HA SER 93 HA SER 93 -7.536 6.065 -2.271 783 HB2 SER 93 2HB SER 93 -6.704 3.726 -2.071 784 HB3 SER 93 3HB SER 93 -6.164 4.721 -0.718 785 HG SER 93 HG SER 93 -7.032 2.584 -0.184 786 H THR 94 H THR 94 -8.301 4.897 -4.073 787 HA THR 94 HA THR 94 -10.862 3.442 -3.763 788 HB THR 94 HB THR 94 -10.856 5.377 -5.371 789 HG1 THR 94 HG1 THR 94 -12.387 4.125 -6.073 790 HG21 THR 94 3HG2 THR 94 -8.546 5.187 -6.265 791 HG22 THR 94 1HG2 THR 94 -9.746 5.162 -7.561 792 HG23 THR 94 2HG2 THR 94 -8.972 3.662 -7.045 793 H THR 95 H THR 95 -10.992 1.302 -4.589 794 HA THR 95 HA THR 95 -8.448 -0.025 -5.342 795 HB THR 95 HB THR 95 -8.980 -1.955 -3.860 796 HG1 THR 95 HG1 THR 95 -11.378 -0.828 -3.700 797 HG21 THR 95 3HG2 THR 95 -8.961 0.634 -2.275 798 HG22 THR 95 1HG2 THR 95 -7.531 -0.175 -2.926 799 HG23 THR 95 2HG2 THR 95 -8.494 -0.956 -1.672 800 H THR 96 H THR 96 -8.798 -0.878 -7.317 801 HA THR 96 HA THR 96 -11.401 -1.965 -8.106 802 HB THR 96 HB THR 96 -8.774 -1.965 -9.679 803 HG1 THR 96 HG1 THR 96 -10.583 0.063 -9.140 804 HG21 THR 96 3HG2 THR 96 -10.504 -3.488 -10.587 805 HG22 THR 96 1HG2 THR 96 -10.240 -2.112 -11.659 806 HG23 THR 96 2HG2 THR 96 -11.665 -2.157 -10.618 807 H THR 97 H THR 97 -11.815 -3.977 -7.289 808 HA THR 97 HA THR 97 -9.611 -5.918 -6.968 809 HB THR 97 HB THR 97 -10.718 -5.587 -4.871 810 HG1 THR 97 HG1 THR 97 -11.916 -7.995 -5.679 811 HG21 THR 97 3HG2 THR 97 -13.105 -5.965 -4.469 812 HG22 THR 97 1HG2 THR 97 -13.368 -6.258 -6.191 813 HG23 THR 97 2HG2 THR 97 -12.875 -4.658 -5.632 814 H ASP 98 H ASP 98 -9.373 -6.985 -8.775 815 HA ASP 98 HA ASP 98 -11.638 -7.997 -10.355 816 HB2 ASP 98 2HB ASP 98 -8.636 -7.890 -10.848 817 HB3 ASP 98 3HB ASP 98 -9.750 -8.690 -11.930 818 H GLY 99 H GLY 99 -9.805 -9.001 -7.760 819 HA2 GLY 99 2HA GLY 99 -9.796 -11.042 -6.667 820 HA3 GLY 99 3HA GLY 99 -10.488 -11.816 -8.090 821 H ASP 100 H ASP 100 -9.028 -11.931 -10.013 822 HA ASP 100 HA ASP 100 -6.618 -13.300 -9.508 823 HB2 ASP 100 2HB ASP 100 -7.850 -13.746 -11.543 824 HB3 ASP 100 3HB ASP 100 -7.790 -12.058 -12.031 825 H THR 101 H THR 101 -7.169 -9.978 -10.703 826 HA THR 101 HA THR 101 -4.397 -9.245 -9.921 827 HB THR 101 HB THR 101 -6.143 -7.858 -12.018 828 HG1 THR 101 HG1 THR 101 -5.128 -10.146 -12.342 829 HG21 THR 101 3HG2 THR 101 -4.422 -6.355 -11.025 830 HG22 THR 101 1HG2 THR 101 -4.043 -6.741 -12.708 831 HG23 THR 101 2HG2 THR 101 -3.175 -7.548 -11.403 832 H PHE 102 H PHE 102 -4.167 -7.373 -8.619 833 HA PHE 102 HA PHE 102 -6.685 -6.171 -7.630 834 HB2 PHE 102 2HB PHE 102 -5.662 -7.878 -6.041 835 HB3 PHE 102 3HB PHE 102 -4.278 -6.802 -5.873 836 HD1 PHE 102 HD2 PHE 102 -7.996 -6.198 -5.983 837 HD2 PHE 102 HD1 PHE 102 -4.359 -5.804 -3.731 838 HE1 PHE 102 HE2 PHE 102 -9.198 -4.975 -4.204 839 HE2 PHE 102 HE1 PHE 102 -5.585 -4.595 -1.979 840 HZ PHE 102 HZ PHE 102 -7.998 -4.175 -2.210 841 H GLU 103 H GLU 103 -6.741 -4.126 -8.074 842 HA GLU 103 HA GLU 103 -4.289 -2.498 -8.409 843 HB2 GLU 103 2HB GLU 103 -5.631 -2.722 -10.462 844 HB3 GLU 103 3HB GLU 103 -7.080 -2.203 -9.610 845 HG2 GLU 103 2HG GLU 103 -6.241 -0.384 -10.988 846 HG3 GLU 103 3HG GLU 103 -6.068 0.043 -9.285 847 H VAL 104 H VAL 104 -4.021 -0.783 -7.068 848 HA VAL 104 HA VAL 104 -6.331 0.431 -5.665 849 HB VAL 104 HB VAL 104 -3.664 -0.203 -4.314 850 HG11 VAL 104 1HG1 VAL 104 -4.716 0.606 -2.220 851 HG12 VAL 104 2HG1 VAL 104 -6.156 1.070 -3.132 852 HG13 VAL 104 3HG1 VAL 104 -4.618 1.879 -3.441 853 HG21 VAL 104 3HG2 VAL 104 -6.364 -1.499 -3.840 854 HG22 VAL 104 1HG2 VAL 104 -4.907 -1.791 -2.890 855 HG23 VAL 104 2HG2 VAL 104 -4.959 -2.259 -4.588 856 H GLU 105 H GLU 105 -6.223 2.641 -5.631 857 HA GLU 105 HA GLU 105 -3.664 4.004 -6.150 858 HB2 GLU 105 2HB GLU 105 -5.053 4.045 -8.219 859 HB3 GLU 105 3HB GLU 105 -6.348 4.842 -7.326 860 HG2 GLU 105 2HG GLU 105 -5.009 6.819 -6.988 861 HG3 GLU 105 3HG GLU 105 -3.559 6.017 -7.595 862 H VAL 106 H VAL 106 -3.207 5.273 -4.492 863 HA VAL 106 HA VAL 106 -5.300 6.072 -2.572 864 HB VAL 106 HB VAL 106 -2.291 6.044 -2.046 865 HG11 VAL 106 1HG1 VAL 106 -3.692 7.286 -0.445 866 HG12 VAL 106 2HG1 VAL 106 -2.935 5.885 0.314 867 HG13 VAL 106 3HG1 VAL 106 -4.642 5.832 -0.136 868 HG21 VAL 106 3HG2 VAL 106 -2.474 3.791 -1.057 869 HG22 VAL 106 1HG2 VAL 106 -2.869 3.762 -2.778 870 HG23 VAL 106 2HG2 VAL 106 -4.158 3.686 -1.575 871 H ILE 107 H ILE 107 -5.937 8.143 -3.099 872 HA ILE 107 HA ILE 107 -4.035 10.022 -4.307 873 HB ILE 107 HB ILE 107 -7.021 10.349 -3.756 874 HG12 ILE 107 2HG1 ILE 107 -6.548 8.572 -5.430 875 HG13 ILE 107 3HG1 ILE 107 -7.333 9.956 -6.180 876 HG21 ILE 107 1HG2 ILE 107 -5.923 12.546 -3.853 877 HG22 ILE 107 2HG2 ILE 107 -6.901 12.304 -5.302 878 HG23 ILE 107 3HG2 ILE 107 -5.148 12.119 -5.382 879 HD11 ILE 107 3HD1 ILE 107 -5.585 9.072 -7.590 880 HD12 ILE 107 1HD1 ILE 107 -4.391 9.294 -6.313 881 HD13 ILE 107 2HD1 ILE 107 -5.161 10.699 -7.061 882 H LEU 108 H LEU 108 -2.674 10.652 -2.716 883 HA LEU 108 HA LEU 108 -3.817 12.037 -0.347 884 HB2 LEU 108 2HB LEU 108 -1.022 10.859 -0.651 885 HB3 LEU 108 3HB LEU 108 -1.721 11.542 0.808 886 HG LEU 108 HG LEU 108 -2.572 8.951 -0.542 887 HD11 LEU 108 1HD1 LEU 108 -1.156 9.372 2.103 888 HD12 LEU 108 2HD1 LEU 108 -0.438 8.737 0.619 889 HD13 LEU 108 3HD1 LEU 108 -1.702 7.826 1.441 890 HD21 LEU 108 3HD2 LEU 108 -4.519 10.039 0.449 891 HD22 LEU 108 1HD2 LEU 108 -3.676 10.202 1.990 892 HD23 LEU 108 2HD2 LEU 108 -4.078 8.602 1.364 893 H GLU 109 H GLU 109 -4.010 14.075 -1.127 894 HA GLU 109 HA GLU 109 -1.822 15.269 -2.704 895 HB2 GLU 109 2HB GLU 109 -3.571 17.054 -3.225 896 HB3 GLU 109 3HB GLU 109 -3.854 15.456 -3.899 897 HG2 GLU 109 2HG GLU 109 -5.450 15.018 -1.998 898 HG3 GLU 109 3HG GLU 109 -5.253 16.705 -1.521 899 H LEU 110 H LEU 110 -0.432 15.618 -1.018 900 HA LEU 110 HA LEU 110 -1.129 17.882 0.780 901 HB2 LEU 110 2HB LEU 110 0.923 15.707 1.395 902 HB3 LEU 110 3HB LEU 110 0.454 17.039 2.432 903 HG LEU 110 HG LEU 110 -1.952 15.882 2.298 904 HD11 LEU 110 1HD1 LEU 110 -1.808 13.437 2.195 905 HD12 LEU 110 2HD1 LEU 110 -0.109 13.545 1.746 906 HD13 LEU 110 3HD1 LEU 110 -1.354 14.181 0.668 907 HD21 LEU 110 3HD2 LEU 110 -0.674 16.243 4.357 908 HD22 LEU 110 1HD2 LEU 110 0.261 14.779 4.042 909 HD23 LEU 110 2HD2 LEU 110 -1.475 14.675 4.352 910 H GLU 111 H GLU 111 -0.132 18.061 -1.922 911 HA GLU 111 HA GLU 111 2.632 18.534 -2.097 912 HB2 GLU 111 2HB GLU 111 0.815 18.483 -3.985 913 HB3 GLU 111 3HB GLU 111 0.539 20.173 -3.609 914 HG2 GLU 111 2HG GLU 111 3.212 19.029 -4.500 915 HG3 GLU 111 3HG GLU 111 2.033 19.739 -5.592 916 H HIS 112 H HIS 112 3.602 19.691 -0.524 917 HA HIS 112 HA HIS 112 2.301 21.899 0.847 918 HB2 HIS 112 2HB HIS 112 5.040 20.611 1.250 919 HB3 HIS 112 3HB HIS 112 4.379 21.881 2.282 920 HD1 HIS 112 HD1 HIS 112 1.791 21.102 3.183 921 HD2 HIS 112 HD2 HIS 112 4.609 18.164 2.387 922 HE1 HIS 112 HE1 HIS 112 0.951 19.043 4.325 923 HE2 HIS 112 HE2 HIS 112 2.584 17.251 3.692 924 H HIS 113 H HIS 113 5.586 21.612 -0.496 925 HA HIS 113 HA HIS 113 5.322 24.238 -1.798 926 HB2 HIS 113 2HB HIS 113 7.607 23.411 0.051 927 HB3 HIS 113 3HB HIS 113 7.687 24.793 -1.035 928 HD1 HIS 113 HD1 HIS 113 6.570 26.952 -0.277 929 HD2 HIS 113 HD2 HIS 113 5.786 23.760 2.270 930 HE1 HIS 113 HE1 HIS 113 5.419 27.938 1.721 931 HE2 HIS 113 HE2 HIS 113 4.775 25.967 3.135 932 H HIS 114 H HIS 114 5.647 23.877 -3.870 933 HA HIS 114 HA HIS 114 6.959 21.670 -5.051 934 HB2 HIS 114 2HB HIS 114 6.748 22.903 -7.179 935 HB3 HIS 114 3HB HIS 114 5.259 23.014 -6.248 936 HD1 HIS 114 HD1 HIS 114 8.177 25.097 -7.416 937 HD2 HIS 114 HD2 HIS 114 4.517 25.619 -5.519 938 HE1 HIS 114 HE1 HIS 114 7.793 27.576 -7.349 939 HE2 HIS 114 HE2 HIS 114 5.644 27.866 -6.079 940 H HIS 115 H HIS 115 8.114 24.568 -3.703 941 HA HIS 115 HA HIS 115 10.103 25.407 -3.209 942 HB2 HIS 115 2HB HIS 115 10.692 23.115 -2.520 943 HB3 HIS 115 3HB HIS 115 11.179 22.726 -4.165 944 HD1 HIS 115 HD1 HIS 115 13.634 22.796 -4.493 945 HD2 HIS 115 HD2 HIS 115 12.412 25.395 -1.486 946 HE1 HIS 115 HE1 HIS 115 15.734 23.813 -3.581 947 HE2 HIS 115 HE2 HIS 115 14.980 25.269 -1.680 948 H HIS 116 H HIS 116 11.595 23.634 -5.854 949 HA HIS 116 HA HIS 116 11.268 25.718 -7.815 950 HB2 HIS 116 2HB HIS 116 13.979 25.281 -6.482 951 HB3 HIS 116 3HB HIS 116 13.867 25.893 -8.127 952 HD1 HIS 116 HD1 HIS 116 12.602 28.254 -8.388 953 HD2 HIS 116 HD2 HIS 116 13.681 27.208 -4.512 954 HE1 HIS 116 HE1 HIS 116 12.496 30.379 -7.059 955 HE2 HIS 116 HE2 HIS 116 13.098 29.710 -4.711 956 H HIS 117 H HIS 117 11.768 24.954 -9.888 957 HA HIS 117 HA HIS 117 12.941 22.303 -10.234 958 HB2 HIS 117 2HB HIS 117 10.564 21.774 -9.753 959 HB3 HIS 117 3HB HIS 117 10.049 22.871 -11.035 960 HD1 HIS 117 HD1 HIS 117 11.893 19.594 -10.545 961 HD2 HIS 117 HD2 HIS 117 9.926 21.698 -13.541 962 HE1 HIS 117 HE1 HIS 117 11.736 18.018 -12.492 963 HE2 HIS 117 HE2 HIS 117 10.733 19.394 -14.345 Start of MODEL 8 1 H1 MET 1 1H MET 1 8.991 -23.698 -7.517 2 H2 MET 1 2H MET 1 10.066 -24.901 -8.020 3 H3 MET 1 3H MET 1 10.325 -23.291 -8.473 4 HA MET 1 HA MET 1 10.436 -24.369 -5.723 5 HB2 MET 1 2HB MET 1 12.657 -23.242 -7.498 6 HB3 MET 1 3HB MET 1 12.862 -23.846 -5.858 7 HG2 MET 1 2HG MET 1 12.050 -25.514 -8.256 8 HG3 MET 1 3HG MET 1 13.666 -25.444 -7.548 9 HE1 MET 1 3HE MET 1 12.262 -29.045 -6.597 10 HE2 MET 1 1HE MET 1 13.570 -28.191 -7.413 11 HE3 MET 1 2HE MET 1 11.935 -28.147 -8.079 12 H ALA 2 H ALA 2 11.271 -21.577 -7.791 13 HA ALA 2 HA ALA 2 10.408 -19.681 -5.680 14 HB1 ALA 2 3HB ALA 2 12.472 -19.311 -7.890 15 HB2 ALA 2 1HB ALA 2 12.812 -19.533 -6.172 16 HB3 ALA 2 2HB ALA 2 11.983 -18.077 -6.723 17 H GLY 3 H GLY 3 9.421 -17.687 -6.485 18 HA2 GLY 3 2HA GLY 3 8.204 -16.405 -8.062 19 HA3 GLY 3 3HA GLY 3 8.186 -17.767 -9.172 20 H LYS 4 H LYS 4 7.442 -18.833 -6.102 21 HA LYS 4 HA LYS 4 4.552 -18.970 -6.668 22 HB2 LYS 4 2HB LYS 4 4.500 -20.749 -4.960 23 HB3 LYS 4 3HB LYS 4 5.706 -21.100 -6.193 24 HG2 LYS 4 2HG LYS 4 7.500 -20.358 -4.680 25 HG3 LYS 4 3HG LYS 4 6.308 -19.955 -3.443 26 HD2 LYS 4 2HD LYS 4 5.646 -22.362 -3.327 27 HD3 LYS 4 3HD LYS 4 6.876 -22.748 -4.535 28 HE2 LYS 4 2HE LYS 4 8.642 -21.990 -2.994 29 HE3 LYS 4 3HE LYS 4 7.426 -21.543 -1.797 30 HZ1 LYS 4 3HZ LYS 4 8.317 -23.652 -1.208 31 HZ2 LYS 4 1HZ LYS 4 8.066 -24.275 -2.761 32 HZ3 LYS 4 2HZ LYS 4 6.747 -23.918 -1.774 33 H GLU 5 H GLU 5 6.574 -16.916 -5.097 34 HA GLU 5 HA GLU 5 5.124 -16.533 -2.600 35 HB2 GLU 5 2HB GLU 5 7.250 -14.680 -3.786 36 HB3 GLU 5 3HB GLU 5 6.721 -14.772 -2.113 37 HG2 GLU 5 2HG GLU 5 8.846 -15.809 -2.135 38 HG3 GLU 5 3HG GLU 5 7.690 -17.143 -2.075 39 H LEU 6 H LEU 6 3.578 -14.982 -2.248 40 HA LEU 6 HA LEU 6 2.208 -13.855 -4.482 41 HB2 LEU 6 2HB LEU 6 1.847 -13.369 -1.495 42 HB3 LEU 6 3HB LEU 6 0.772 -12.744 -2.733 43 HG LEU 6 HG LEU 6 -0.357 -14.623 -1.829 44 HD11 LEU 6 1HD1 LEU 6 -0.568 -16.201 -3.674 45 HD12 LEU 6 2HD1 LEU 6 0.927 -15.594 -4.391 46 HD13 LEU 6 3HD1 LEU 6 -0.482 -14.537 -4.251 47 HD21 LEU 6 3HD2 LEU 6 0.584 -16.872 -1.530 48 HD22 LEU 6 1HD2 LEU 6 1.487 -15.673 -0.603 49 HD23 LEU 6 2HD2 LEU 6 2.155 -16.307 -2.108 50 H ARG 7 H ARG 7 3.206 -12.312 -5.589 51 HA ARG 7 HA ARG 7 5.111 -10.531 -4.341 52 HB2 ARG 7 2HB ARG 7 5.537 -9.752 -6.714 53 HB3 ARG 7 3HB ARG 7 5.882 -11.438 -6.377 54 HG2 ARG 7 2HG ARG 7 4.088 -12.216 -7.670 55 HG3 ARG 7 3HG ARG 7 3.235 -10.674 -7.594 56 HD2 ARG 7 2HD ARG 7 4.215 -11.176 -9.844 57 HD3 ARG 7 3HD ARG 7 4.777 -9.659 -9.152 58 HE ARG 7 HE ARG 7 6.344 -12.102 -9.582 59 HH11 ARG 7 1HH1 ARG 7 6.303 -8.780 -8.371 60 HH12 ARG 7 2HH1 ARG 7 8.036 -8.640 -8.365 61 HH21 ARG 7 1HH2 ARG 7 8.605 -11.895 -9.551 62 HH22 ARG 7 2HH2 ARG 7 9.337 -10.411 -9.033 63 H VAL 8 H VAL 8 4.854 -8.489 -3.839 64 HA VAL 8 HA VAL 8 2.422 -7.026 -4.635 65 HB VAL 8 HB VAL 8 2.852 -5.483 -2.826 66 HG11 VAL 8 1HG1 VAL 8 2.838 -6.949 -0.812 67 HG12 VAL 8 2HG1 VAL 8 3.319 -8.312 -1.823 68 HG13 VAL 8 3HG1 VAL 8 1.763 -7.528 -2.085 69 HG21 VAL 8 3HG2 VAL 8 5.505 -6.876 -2.362 70 HG22 VAL 8 1HG2 VAL 8 4.813 -5.619 -1.333 71 HG23 VAL 8 2HG2 VAL 8 5.274 -5.244 -2.992 72 H GLU 9 H GLU 9 2.598 -5.339 -6.045 73 HA GLU 9 HA GLU 9 5.259 -4.164 -6.655 74 HB2 GLU 9 2HB GLU 9 2.649 -4.180 -8.265 75 HB3 GLU 9 3HB GLU 9 4.056 -3.226 -8.711 76 HG2 GLU 9 2HG GLU 9 3.940 -5.230 -10.078 77 HG3 GLU 9 3HG GLU 9 5.361 -5.291 -9.042 78 H ILE 10 H ILE 10 5.304 -2.764 -4.835 79 HA ILE 10 HA ILE 10 3.030 -0.939 -4.413 80 HB ILE 10 HB ILE 10 5.633 -1.185 -2.812 81 HG12 ILE 10 2HG1 ILE 10 4.290 -3.255 -2.623 82 HG13 ILE 10 3HG1 ILE 10 4.298 -2.388 -1.096 83 HG21 ILE 10 1HG2 ILE 10 4.475 0.158 -1.070 84 HG22 ILE 10 2HG2 ILE 10 3.091 0.355 -2.149 85 HG23 ILE 10 3HG2 ILE 10 4.652 1.053 -2.583 86 HD11 ILE 10 3HD1 ILE 10 2.042 -2.493 -3.093 87 HD12 ILE 10 1HD1 ILE 10 2.022 -1.573 -1.583 88 HD13 ILE 10 2HD1 ILE 10 2.136 -3.332 -1.546 89 H LYS 11 H LYS 11 3.045 0.846 -5.606 90 HA LYS 11 HA LYS 11 5.537 1.700 -6.951 91 HB2 LYS 11 2HB LYS 11 3.339 0.744 -8.161 92 HB3 LYS 11 3HB LYS 11 2.734 2.373 -7.938 93 HG2 LYS 11 2HG LYS 11 5.222 1.589 -9.489 94 HG3 LYS 11 3HG LYS 11 3.659 2.005 -10.190 95 HD2 LYS 11 2HD LYS 11 3.891 4.307 -9.239 96 HD3 LYS 11 3HD LYS 11 5.489 3.866 -8.627 97 HE2 LYS 11 2HE LYS 11 4.631 4.014 -11.534 98 HE3 LYS 11 3HE LYS 11 5.751 5.087 -10.698 99 HZ1 LYS 11 3HZ LYS 11 6.944 3.501 -12.049 100 HZ2 LYS 11 1HZ LYS 11 6.190 2.203 -11.273 101 HZ3 LYS 11 2HZ LYS 11 7.263 3.187 -10.416 102 H ILE 12 H ILE 12 6.333 3.528 -6.043 103 HA ILE 12 HA ILE 12 4.551 5.685 -5.152 104 HB ILE 12 HB ILE 12 7.596 5.435 -5.072 105 HG12 ILE 12 2HG1 ILE 12 6.468 4.012 -3.395 106 HG13 ILE 12 3HG1 ILE 12 7.317 5.331 -2.600 107 HG21 ILE 12 1HG2 ILE 12 7.613 7.552 -3.790 108 HG22 ILE 12 2HG2 ILE 12 5.879 7.731 -4.052 109 HG23 ILE 12 3HG2 ILE 12 6.991 7.789 -5.422 110 HD11 ILE 12 3HD1 ILE 12 4.349 5.162 -3.097 111 HD12 ILE 12 1HD1 ILE 12 5.183 6.503 -2.305 112 HD13 ILE 12 2HD1 ILE 12 5.185 4.903 -1.568 113 H ASP 13 H ASP 13 4.011 7.252 -6.519 114 HA ASP 13 HA ASP 13 5.172 7.373 -9.195 115 HB2 ASP 13 2HB ASP 13 2.703 7.388 -8.952 116 HB3 ASP 13 3HB ASP 13 2.796 8.839 -7.957 117 H CYS 14 H CYS 14 7.019 8.543 -9.316 118 HA CYS 14 HA CYS 14 7.270 11.260 -8.385 119 HB2 CYS 14 2HB CYS 14 9.201 10.790 -6.833 120 HB3 CYS 14 3HB CYS 14 7.674 10.132 -6.246 121 HG CYS 14 HG CYS 14 10.214 8.360 -7.697 122 H GLY 15 H GLY 15 9.449 12.158 -8.914 123 HA2 GLY 15 2HA GLY 15 11.320 10.740 -10.565 124 HA3 GLY 15 3HA GLY 15 10.239 11.749 -11.530 125 H ASN 16 H ASN 16 11.897 12.066 -8.413 126 HA ASN 16 HA ASN 16 12.919 14.733 -9.152 127 HB2 ASN 16 2HB ASN 16 12.298 15.489 -6.800 128 HB3 ASN 16 3HB ASN 16 10.932 15.206 -7.860 129 HD21 ASN 16 1HD2 ASN 16 11.202 15.194 -4.884 130 HD22 ASN 16 2HD2 ASN 16 10.550 13.679 -4.374 131 H ASP 17 H ASP 17 14.981 13.956 -9.473 132 HA ASP 17 HA ASP 17 17.035 13.100 -9.119 133 HB2 ASP 17 2HB ASP 17 17.215 14.395 -7.028 134 HB3 ASP 17 3HB ASP 17 16.330 13.157 -6.153 135 H ASP 18 H ASP 18 14.936 11.512 -6.728 136 HA ASP 18 HA ASP 18 15.753 8.836 -7.505 137 HB2 ASP 18 2HB ASP 18 15.238 9.271 -5.142 138 HB3 ASP 18 3HB ASP 18 13.627 9.834 -5.555 139 H LYS 19 H LYS 19 14.672 7.488 -8.775 140 HA LYS 19 HA LYS 19 12.700 8.415 -10.635 141 HB2 LYS 19 2HB LYS 19 14.609 6.874 -11.178 142 HB3 LYS 19 3HB LYS 19 13.869 5.635 -10.177 143 HG2 LYS 19 2HG LYS 19 11.897 5.655 -11.748 144 HG3 LYS 19 3HG LYS 19 12.797 6.759 -12.790 145 HD2 LYS 19 2HD LYS 19 13.640 3.936 -12.016 146 HD3 LYS 19 3HD LYS 19 12.970 4.420 -13.574 147 HE2 LYS 19 2HE LYS 19 14.952 5.853 -13.974 148 HE3 LYS 19 3HE LYS 19 15.616 5.367 -12.412 149 HZ1 LYS 19 3HZ LYS 19 15.088 3.571 -14.725 150 HZ2 LYS 19 1HZ LYS 19 15.662 3.068 -13.219 151 HZ3 LYS 19 2HZ LYS 19 16.606 4.083 -14.185 152 H GLU 20 H GLU 20 10.661 7.209 -11.041 153 HA GLU 20 HA GLU 20 8.951 6.642 -8.915 154 HB2 GLU 20 2HB GLU 20 7.597 5.408 -10.697 155 HB3 GLU 20 3HB GLU 20 8.021 7.067 -11.087 156 HG2 GLU 20 2HG GLU 20 9.860 6.272 -12.529 157 HG3 GLU 20 3HG GLU 20 9.453 4.603 -12.136 158 H THR 21 H THR 21 8.863 4.938 -7.524 159 HA THR 21 HA THR 21 10.794 2.734 -7.949 160 HB THR 21 HB THR 21 10.905 2.966 -5.271 161 HG1 THR 21 HG1 THR 21 10.508 5.690 -5.984 162 HG21 THR 21 3HG2 THR 21 12.867 3.216 -6.740 163 HG22 THR 21 1HG2 THR 21 12.854 4.466 -5.494 164 HG23 THR 21 2HG2 THR 21 12.367 4.862 -7.143 165 H THR 22 H THR 22 9.910 0.794 -8.012 166 HA THR 22 HA THR 22 7.477 0.137 -6.495 167 HB THR 22 HB THR 22 7.734 -2.119 -7.705 168 HG1 THR 22 HG1 THR 22 9.836 -2.126 -8.347 169 HG21 THR 22 3HG2 THR 22 7.425 0.355 -9.450 170 HG22 THR 22 1HG2 THR 22 6.141 -0.402 -8.503 171 HG23 THR 22 2HG2 THR 22 6.866 -1.268 -9.860 172 H TYR 23 H TYR 23 7.501 -1.264 -4.746 173 HA TYR 23 HA TYR 23 10.159 -1.760 -3.531 174 HB2 TYR 23 2HB TYR 23 7.418 -1.274 -2.275 175 HB3 TYR 23 3HB TYR 23 8.838 -1.741 -1.350 176 HD1 TYR 23 HD1 TYR 23 7.929 0.899 -3.900 177 HD2 TYR 23 HD2 TYR 23 9.922 0.002 -0.233 178 HE1 TYR 23 HE1 TYR 23 8.519 3.264 -3.642 179 HE2 TYR 23 HE2 TYR 23 10.514 2.370 0.020 180 HH TYR 23 HH TYR 23 10.731 4.378 -1.247 181 H ASP 24 H ASP 24 10.762 -3.782 -2.998 182 HA ASP 24 HA ASP 24 8.914 -6.058 -3.359 183 HB2 ASP 24 2HB ASP 24 11.954 -6.013 -3.112 184 HB3 ASP 24 3HB ASP 24 10.983 -7.464 -3.345 185 H LEU 25 H LEU 25 7.820 -6.217 -1.477 186 HA LEU 25 HA LEU 25 9.338 -6.907 0.986 187 HB2 LEU 25 2HB LEU 25 7.289 -6.079 2.251 188 HB3 LEU 25 3HB LEU 25 8.333 -4.853 1.577 189 HG LEU 25 HG LEU 25 6.036 -5.604 -0.179 190 HD11 LEU 25 1HD1 LEU 25 4.357 -4.349 1.041 191 HD12 LEU 25 2HD1 LEU 25 5.464 -4.150 2.404 192 HD13 LEU 25 3HD1 LEU 25 4.892 -5.759 1.956 193 HD21 LEU 25 3HD2 LEU 25 5.913 -3.173 -0.516 194 HD22 LEU 25 1HD2 LEU 25 7.562 -3.751 -0.739 195 HD23 LEU 25 2HD2 LEU 25 7.115 -2.914 0.749 196 H TYR 26 H TYR 26 6.497 -7.363 -1.008 197 HA TYR 26 HA TYR 26 5.273 -9.106 -1.624 198 HB2 TYR 26 2HB TYR 26 7.590 -10.649 -0.424 199 HB3 TYR 26 3HB TYR 26 6.212 -11.478 -1.115 200 HD1 TYR 26 HD2 TYR 26 7.861 -8.358 -2.406 201 HD2 TYR 26 HD1 TYR 26 7.197 -12.540 -3.054 202 HE1 TYR 26 HE2 TYR 26 8.869 -8.175 -4.623 203 HE2 TYR 26 HE1 TYR 26 8.220 -12.334 -5.287 204 HH TYR 26 HH TYR 26 9.872 -9.476 -6.302 205 H PHE 27 H PHE 27 4.439 -11.397 -0.622 206 HA PHE 27 HA PHE 27 3.381 -11.068 2.062 207 HB2 PHE 27 2HB PHE 27 1.815 -9.685 0.867 208 HB3 PHE 27 3HB PHE 27 1.707 -10.807 -0.482 209 HD1 PHE 27 HD2 PHE 27 0.790 -10.382 3.124 210 HD2 PHE 27 HD1 PHE 27 -0.031 -12.451 -0.523 211 HE1 PHE 27 HE2 PHE 27 -1.223 -11.375 4.125 212 HE2 PHE 27 HE1 PHE 27 -2.042 -13.439 0.485 213 HZ PHE 27 HZ PHE 27 -2.636 -12.901 2.810 214 H SER 28 H SER 28 2.353 -12.975 2.762 215 HA SER 28 HA SER 28 2.258 -15.393 1.182 216 HB2 SER 28 2HB SER 28 4.665 -15.331 1.830 217 HB3 SER 28 3HB SER 28 4.214 -15.191 3.528 218 HG SER 28 HG SER 28 4.718 -17.338 2.973 219 H LYS 29 H LYS 29 1.846 -13.607 4.142 220 HA LYS 29 HA LYS 29 -0.554 -14.909 4.953 221 HB2 LYS 29 2HB LYS 29 0.958 -16.673 5.649 222 HB3 LYS 29 3HB LYS 29 2.053 -15.534 6.410 223 HG2 LYS 29 2HG LYS 29 0.550 -15.193 8.256 224 HG3 LYS 29 3HG LYS 29 -0.756 -16.047 7.428 225 HD2 LYS 29 2HD LYS 29 0.401 -17.375 9.248 226 HD3 LYS 29 3HD LYS 29 0.336 -18.169 7.675 227 HE2 LYS 29 2HE LYS 29 2.528 -18.497 8.701 228 HE3 LYS 29 3HE LYS 29 2.700 -17.503 7.260 229 HZ1 LYS 29 3HZ LYS 29 4.033 -16.634 9.036 230 HZ2 LYS 29 1HZ LYS 29 2.701 -16.558 10.073 231 HZ3 LYS 29 2HZ LYS 29 2.773 -15.550 8.723 232 H ALA 30 H ALA 30 -1.337 -13.879 7.067 233 HA ALA 30 HA ALA 30 -1.333 -11.095 6.625 234 HB1 ALA 30 3HB ALA 30 -2.523 -12.613 8.969 235 HB2 ALA 30 1HB ALA 30 -3.298 -12.353 7.405 236 HB3 ALA 30 2HB ALA 30 -2.955 -10.978 8.457 237 H GLU 31 H GLU 31 0.674 -12.952 8.783 238 HA GLU 31 HA GLU 31 1.081 -10.949 10.811 239 HB2 GLU 31 2HB GLU 31 2.687 -13.458 10.174 240 HB3 GLU 31 3HB GLU 31 2.833 -12.506 11.653 241 HG2 GLU 31 2HG GLU 31 0.501 -13.055 12.245 242 HG3 GLU 31 3HG GLU 31 0.333 -13.974 10.749 243 H GLU 32 H GLU 32 3.138 -12.204 8.173 244 HA GLU 32 HA GLU 32 5.199 -10.283 8.375 245 HB2 GLU 32 2HB GLU 32 5.489 -10.861 5.751 246 HB3 GLU 32 3HB GLU 32 6.026 -11.965 7.006 247 HG2 GLU 32 2HG GLU 32 3.280 -12.280 5.808 248 HG3 GLU 32 3HG GLU 32 4.691 -12.843 4.920 249 H ALA 33 H ALA 33 2.191 -10.393 6.495 250 HA ALA 33 HA ALA 33 2.467 -8.114 4.933 251 HB1 ALA 33 3HB ALA 33 0.626 -9.747 4.709 252 HB2 ALA 33 1HB ALA 33 0.026 -8.092 4.792 253 HB3 ALA 33 2HB ALA 33 -0.089 -9.146 6.205 254 H LYS 34 H LYS 34 1.230 -8.383 8.269 255 HA LYS 34 HA LYS 34 0.448 -5.656 8.534 256 HB2 LYS 34 2HB LYS 34 -0.421 -7.712 9.819 257 HB3 LYS 34 3HB LYS 34 1.021 -7.606 10.808 258 HG2 LYS 34 2HG LYS 34 -0.927 -5.289 10.563 259 HG3 LYS 34 3HG LYS 34 -1.186 -6.594 11.716 260 HD2 LYS 34 2HD LYS 34 1.213 -4.721 11.656 261 HD3 LYS 34 3HD LYS 34 -0.148 -4.622 12.773 262 HE2 LYS 34 2HE LYS 34 1.795 -6.956 12.599 263 HE3 LYS 34 3HE LYS 34 1.843 -5.672 13.806 264 HZ1 LYS 34 3HZ LYS 34 -0.355 -7.633 13.438 265 HZ2 LYS 34 1HZ LYS 34 -0.363 -6.357 14.549 266 HZ3 LYS 34 2HZ LYS 34 0.766 -7.600 14.699 267 H GLU 35 H GLU 35 3.421 -7.437 9.354 268 HA GLU 35 HA GLU 35 4.811 -5.401 10.762 269 HB2 GLU 35 2HB GLU 35 5.586 -7.716 10.804 270 HB3 GLU 35 3HB GLU 35 5.805 -7.716 9.056 271 HG2 GLU 35 2HG GLU 35 7.600 -5.954 9.365 272 HG3 GLU 35 3HG GLU 35 7.455 -6.188 11.104 273 H LEU 36 H LEU 36 4.846 -6.369 7.356 274 HA LEU 36 HA LEU 36 6.625 -4.383 6.410 275 HB2 LEU 36 2HB LEU 36 4.809 -6.408 5.107 276 HB3 LEU 36 3HB LEU 36 5.481 -5.131 4.117 277 HG LEU 36 HG LEU 36 6.935 -6.945 3.785 278 HD11 LEU 36 1HD1 LEU 36 8.137 -4.856 4.156 279 HD12 LEU 36 2HD1 LEU 36 9.094 -6.248 4.647 280 HD13 LEU 36 3HD1 LEU 36 8.324 -5.237 5.872 281 HD21 LEU 36 3HD2 LEU 36 6.229 -8.435 5.565 282 HD22 LEU 36 1HD2 LEU 36 7.082 -7.464 6.771 283 HD23 LEU 36 2HD2 LEU 36 7.986 -8.322 5.515 284 H LEU 37 H LEU 37 3.168 -4.472 6.822 285 HA LEU 37 HA LEU 37 2.246 -2.310 5.356 286 HB2 LEU 37 2HB LEU 37 0.714 -3.762 6.465 287 HB3 LEU 37 3HB LEU 37 1.440 -3.493 8.026 288 HG LEU 37 HG LEU 37 -0.009 -1.182 6.688 289 HD11 LEU 37 1HD1 LEU 37 -2.128 -1.904 7.730 290 HD12 LEU 37 2HD1 LEU 37 -1.377 -3.428 8.211 291 HD13 LEU 37 3HD1 LEU 37 -1.586 -3.045 6.500 292 HD21 LEU 37 3HD2 LEU 37 -0.532 -0.555 9.039 293 HD22 LEU 37 1HD2 LEU 37 1.209 -0.719 8.794 294 HD23 LEU 37 2HD2 LEU 37 0.315 -1.999 9.610 295 H LYS 38 H LYS 38 3.678 -2.353 8.606 296 HA LYS 38 HA LYS 38 3.520 0.382 9.239 297 HB2 LYS 38 2HB LYS 38 3.993 -1.491 10.842 298 HB3 LYS 38 3HB LYS 38 5.584 -1.683 10.139 299 HG2 LYS 38 2HG LYS 38 4.752 0.913 11.474 300 HG3 LYS 38 3HG LYS 38 5.355 -0.450 12.413 301 HD2 LYS 38 2HD LYS 38 7.464 -0.381 11.021 302 HD3 LYS 38 3HD LYS 38 6.854 1.086 10.255 303 HE2 LYS 38 2HE LYS 38 7.500 0.728 13.201 304 HE3 LYS 38 3HE LYS 38 8.444 1.640 12.024 305 HZ1 LYS 38 3HZ LYS 38 7.163 3.175 13.271 306 HZ2 LYS 38 1HZ LYS 38 5.736 2.289 13.045 307 HZ3 LYS 38 2HZ LYS 38 6.451 3.085 11.738 308 H LYS 39 H LYS 39 5.998 -1.540 7.589 309 HA LYS 39 HA LYS 39 7.969 0.496 7.441 310 HB2 LYS 39 2HB LYS 39 8.355 -2.028 7.354 311 HB3 LYS 39 3HB LYS 39 7.813 -1.980 5.679 312 HG2 LYS 39 2HG LYS 39 9.685 -0.545 5.061 313 HG3 LYS 39 3HG LYS 39 10.173 -0.403 6.757 314 HD2 LYS 39 2HD LYS 39 10.540 -2.909 6.785 315 HD3 LYS 39 3HD LYS 39 10.229 -2.922 5.046 316 HE2 LYS 39 2HE LYS 39 12.174 -1.474 4.674 317 HE3 LYS 39 3HE LYS 39 12.449 -1.373 6.413 318 HZ1 LYS 39 3HZ LYS 39 12.666 -3.809 4.726 319 HZ2 LYS 39 1HZ LYS 39 12.777 -3.807 6.414 320 HZ3 LYS 39 2HZ LYS 39 13.929 -2.984 5.489 321 H VAL 40 H VAL 40 5.443 -0.600 5.175 322 HA VAL 40 HA VAL 40 6.248 1.060 2.972 323 HB VAL 40 HB VAL 40 3.541 -0.253 3.535 324 HG11 VAL 40 1HG1 VAL 40 3.240 1.626 1.965 325 HG12 VAL 40 2HG1 VAL 40 3.039 0.087 1.127 326 HG13 VAL 40 3HG1 VAL 40 4.537 1.001 0.942 327 HG21 VAL 40 3HG2 VAL 40 5.380 -1.870 3.264 328 HG22 VAL 40 1HG2 VAL 40 5.807 -1.137 1.717 329 HG23 VAL 40 2HG2 VAL 40 4.255 -1.957 1.907 330 H ALA 41 H ALA 41 4.093 1.450 5.743 331 HA ALA 41 HA ALA 41 2.983 3.966 5.056 332 HB1 ALA 41 3HB ALA 41 2.391 4.145 7.423 333 HB2 ALA 41 1HB ALA 41 3.467 2.796 7.811 334 HB3 ALA 41 2HB ALA 41 2.040 2.530 6.808 335 H GLU 42 H GLU 42 6.047 3.034 6.576 336 HA GLU 42 HA GLU 42 6.969 5.670 7.184 337 HB2 GLU 42 2HB GLU 42 8.674 3.226 6.519 338 HB3 GLU 42 3HB GLU 42 9.205 4.674 7.367 339 HG2 GLU 42 2HG GLU 42 7.298 2.559 8.371 340 HG3 GLU 42 3HG GLU 42 8.943 2.847 8.916 341 H LYS 43 H LYS 43 7.443 3.464 4.423 342 HA LYS 43 HA LYS 43 9.452 5.075 3.167 343 HB2 LYS 43 2HB LYS 43 7.998 2.555 2.277 344 HB3 LYS 43 3HB LYS 43 9.276 3.309 1.332 345 HG2 LYS 43 2HG LYS 43 9.571 2.161 4.129 346 HG3 LYS 43 3HG LYS 43 10.126 1.407 2.633 347 HD2 LYS 43 2HD LYS 43 11.678 3.359 2.284 348 HD3 LYS 43 3HD LYS 43 11.157 4.012 3.839 349 HE2 LYS 43 2HE LYS 43 12.055 2.021 4.982 350 HE3 LYS 43 3HE LYS 43 12.556 1.344 3.428 351 HZ1 LYS 43 3HZ LYS 43 14.412 2.417 4.513 352 HZ2 LYS 43 1HZ LYS 43 13.556 3.867 4.645 353 HZ3 LYS 43 2HZ LYS 43 14.006 3.286 3.123 354 H ALA 44 H ALA 44 5.998 4.621 2.622 355 HA ALA 44 HA ALA 44 5.853 6.116 0.168 356 HB1 ALA 44 3HB ALA 44 4.114 4.472 0.753 357 HB2 ALA 44 1HB ALA 44 3.414 6.075 0.521 358 HB3 ALA 44 2HB ALA 44 3.648 5.440 2.153 359 H ALA 45 H ALA 45 5.315 6.778 3.617 360 HA ALA 45 HA ALA 45 4.520 9.461 3.406 361 HB1 ALA 45 3HB ALA 45 5.900 8.084 5.726 362 HB2 ALA 45 1HB ALA 45 4.161 8.144 5.435 363 HB3 ALA 45 2HB ALA 45 5.042 9.628 5.803 364 H ASP 46 H ASP 46 7.720 7.917 3.565 365 HA ASP 46 HA ASP 46 9.441 10.082 3.984 366 HB2 ASP 46 2HB ASP 46 9.803 7.543 2.349 367 HB3 ASP 46 3HB ASP 46 11.079 8.750 2.413 368 H LYS 47 H LYS 47 8.070 8.800 1.005 369 HA LYS 47 HA LYS 47 9.424 10.558 -0.774 370 HB2 LYS 47 2HB LYS 47 7.053 8.695 -1.190 371 HB3 LYS 47 3HB LYS 47 7.882 9.549 -2.493 372 HG2 LYS 47 2HG LYS 47 9.143 7.504 -0.629 373 HG3 LYS 47 3HG LYS 47 8.684 7.228 -2.313 374 HD2 LYS 47 2HD LYS 47 10.349 8.933 -3.039 375 HD3 LYS 47 3HD LYS 47 10.801 9.214 -1.357 376 HE2 LYS 47 2HE LYS 47 12.450 7.781 -2.441 377 HE3 LYS 47 3HE LYS 47 11.595 6.863 -1.204 378 HZ1 LYS 47 3HZ LYS 47 11.076 6.755 -4.129 379 HZ2 LYS 47 1HZ LYS 47 10.229 5.879 -2.950 380 HZ3 LYS 47 2HZ LYS 47 11.871 5.580 -3.210 381 H ILE 48 H ILE 48 6.305 10.744 0.868 382 HA ILE 48 HA ILE 48 5.366 13.048 -0.588 383 HB ILE 48 HB ILE 48 4.476 12.257 2.216 384 HG12 ILE 48 2HG1 ILE 48 4.299 10.252 0.799 385 HG13 ILE 48 3HG1 ILE 48 2.697 10.861 1.171 386 HG21 ILE 48 1HG2 ILE 48 3.054 13.781 -0.002 387 HG22 ILE 48 2HG2 ILE 48 3.685 14.456 1.502 388 HG23 ILE 48 3HG2 ILE 48 2.331 13.327 1.545 389 HD11 ILE 48 3HD1 ILE 48 2.831 10.087 -1.106 390 HD12 ILE 48 1HD1 ILE 48 4.174 11.178 -1.442 391 HD13 ILE 48 2HD1 ILE 48 2.571 11.830 -1.091 392 H LYS 49 H LYS 49 7.252 12.513 2.369 393 HA LYS 49 HA LYS 49 7.478 15.288 3.122 394 HB2 LYS 49 2HB LYS 49 7.802 13.049 4.553 395 HB3 LYS 49 3HB LYS 49 9.473 13.196 4.043 396 HG2 LYS 49 2HG LYS 49 7.978 15.408 5.492 397 HG3 LYS 49 3HG LYS 49 8.862 14.149 6.337 398 HD2 LYS 49 2HD LYS 49 10.225 15.958 4.320 399 HD3 LYS 49 3HD LYS 49 10.004 16.452 5.995 400 HE2 LYS 49 2HE LYS 49 12.234 15.530 5.685 401 HE3 LYS 49 3HE LYS 49 11.299 14.469 6.735 402 HZ1 LYS 49 3HZ LYS 49 12.619 13.281 5.070 403 HZ2 LYS 49 1HZ LYS 49 11.735 14.008 3.830 404 HZ3 LYS 49 2HZ LYS 49 10.974 12.959 4.918 405 H LYS 50 H LYS 50 9.106 13.152 0.959 406 HA LYS 50 HA LYS 50 11.638 14.366 0.647 407 HB2 LYS 50 2HB LYS 50 10.869 12.052 -0.127 408 HB3 LYS 50 3HB LYS 50 10.038 12.838 -1.461 409 HG2 LYS 50 2HG LYS 50 12.104 11.964 -2.272 410 HG3 LYS 50 3HG LYS 50 12.252 13.725 -2.235 411 HD2 LYS 50 2HD LYS 50 13.542 13.582 -0.134 412 HD3 LYS 50 3HD LYS 50 13.334 11.827 -0.104 413 HE2 LYS 50 2HE LYS 50 14.628 11.648 -2.202 414 HE3 LYS 50 3HE LYS 50 14.831 13.403 -2.227 415 HZ1 LYS 50 3HZ LYS 50 15.834 11.587 -0.099 416 HZ2 LYS 50 1HZ LYS 50 16.064 13.262 -0.168 417 HZ3 LYS 50 2HZ LYS 50 16.767 12.264 -1.336 418 H GLN 51 H GLN 51 8.536 14.870 -0.902 419 HA GLN 51 HA GLN 51 9.105 17.608 -1.584 420 HB2 GLN 51 2HB GLN 51 10.087 16.616 -3.591 421 HB3 GLN 51 3HB GLN 51 8.707 15.546 -3.808 422 HG2 GLN 51 2HG GLN 51 7.269 17.517 -4.297 423 HG3 GLN 51 3HG GLN 51 8.667 18.575 -4.113 424 HE21 GLN 51 1HE2 GLN 51 6.886 18.079 -6.428 425 HE22 GLN 51 2HE2 GLN 51 7.928 17.608 -7.721 426 H GLY 52 H GLY 52 7.001 14.846 -2.305 427 HA2 GLY 52 2HA GLY 52 4.686 15.002 -1.265 428 HA3 GLY 52 3HA GLY 52 4.583 16.561 -2.085 429 H CYS 53 H CYS 53 5.260 13.124 -2.675 430 HA CYS 53 HA CYS 53 4.875 13.057 -5.438 431 HB2 CYS 53 2HB CYS 53 4.334 10.859 -3.389 432 HB3 CYS 53 3HB CYS 53 4.515 10.614 -5.125 433 HG CYS 53 HG CYS 53 6.956 9.985 -4.800 434 H LYS 54 H LYS 54 2.601 12.584 -2.777 435 HA LYS 54 HA LYS 54 0.407 12.853 -2.473 436 HB2 LYS 54 2HB LYS 54 0.505 14.334 -5.122 437 HB3 LYS 54 3HB LYS 54 -0.890 14.312 -4.050 438 HG2 LYS 54 2HG LYS 54 0.342 15.480 -2.316 439 HG3 LYS 54 3HG LYS 54 1.839 15.373 -3.240 440 HD2 LYS 54 2HD LYS 54 -0.624 16.922 -4.150 441 HD3 LYS 54 3HD LYS 54 0.735 17.633 -3.284 442 HE2 LYS 54 2HE LYS 54 1.109 18.138 -5.569 443 HE3 LYS 54 3HE LYS 54 2.225 16.830 -5.200 444 HZ1 LYS 54 3HZ LYS 54 -0.366 16.571 -6.633 445 HZ2 LYS 54 1HZ LYS 54 0.677 15.292 -6.278 446 HZ3 LYS 54 2HZ LYS 54 1.165 16.512 -7.332 447 H ARG 55 H ARG 55 1.551 10.876 -4.869 448 HA ARG 55 HA ARG 55 -1.008 9.472 -5.103 449 HB2 ARG 55 2HB ARG 55 -0.625 10.865 -7.198 450 HB3 ARG 55 3HB ARG 55 0.853 9.955 -7.487 451 HG2 ARG 55 2HG ARG 55 -0.435 7.886 -7.769 452 HG3 ARG 55 3HG ARG 55 -1.929 8.729 -7.354 453 HD2 ARG 55 2HD ARG 55 -1.463 10.236 -9.391 454 HD3 ARG 55 3HD ARG 55 -0.228 9.054 -9.842 455 HE ARG 55 HE ARG 55 -2.323 7.446 -9.572 456 HH11 ARG 55 1HH1 ARG 55 -2.186 10.566 -11.203 457 HH12 ARG 55 2HH1 ARG 55 -3.448 10.162 -12.320 458 HH21 ARG 55 1HH2 ARG 55 -4.015 6.974 -11.011 459 HH22 ARG 55 2HH2 ARG 55 -4.479 8.141 -12.214 460 H VAL 56 H VAL 56 -0.580 7.687 -4.121 461 HA VAL 56 HA VAL 56 1.861 6.101 -4.687 462 HB VAL 56 HB VAL 56 -0.067 5.946 -2.292 463 HG11 VAL 56 1HG1 VAL 56 0.818 3.733 -2.836 464 HG12 VAL 56 2HG1 VAL 56 1.495 4.311 -1.313 465 HG13 VAL 56 3HG1 VAL 56 2.469 4.355 -2.783 466 HG21 VAL 56 3HG2 VAL 56 1.796 6.771 -0.894 467 HG22 VAL 56 1HG2 VAL 56 1.338 7.951 -2.127 468 HG23 VAL 56 2HG2 VAL 56 2.793 6.973 -2.338 469 H LYS 57 H LYS 57 1.400 4.265 -5.871 470 HA LYS 57 HA LYS 57 -1.420 3.374 -6.131 471 HB2 LYS 57 2HB LYS 57 0.853 3.011 -8.149 472 HB3 LYS 57 3HB LYS 57 -0.840 2.570 -8.382 473 HG2 LYS 57 2HG LYS 57 -1.455 4.992 -8.224 474 HG3 LYS 57 3HG LYS 57 0.259 5.394 -8.097 475 HD2 LYS 57 2HD LYS 57 -1.076 4.028 -10.471 476 HD3 LYS 57 3HD LYS 57 -0.601 5.724 -10.395 477 HE2 LYS 57 2HE LYS 57 1.770 5.073 -10.224 478 HE3 LYS 57 3HE LYS 57 1.316 3.365 -10.238 479 HZ1 LYS 57 3HZ LYS 57 2.051 4.242 -12.426 480 HZ2 LYS 57 1HZ LYS 57 0.701 5.259 -12.448 481 HZ3 LYS 57 2HZ LYS 57 0.498 3.578 -12.460 482 H ILE 58 H ILE 58 -1.721 1.569 -4.956 483 HA ILE 58 HA ILE 58 0.516 -0.284 -4.400 484 HB ILE 58 HB ILE 58 -2.278 -0.026 -3.176 485 HG12 ILE 58 2HG1 ILE 58 0.452 0.482 -1.920 486 HG13 ILE 58 3HG1 ILE 58 -0.652 1.731 -2.482 487 HG21 ILE 58 1HG2 ILE 58 -1.653 -1.789 -1.555 488 HG22 ILE 58 2HG2 ILE 58 -0.150 -2.054 -2.435 489 HG23 ILE 58 3HG2 ILE 58 -1.693 -2.401 -3.211 490 HD11 ILE 58 3HD1 ILE 58 -0.752 1.517 -0.089 491 HD12 ILE 58 1HD1 ILE 58 -1.156 -0.195 -0.213 492 HD13 ILE 58 2HD1 ILE 58 -2.290 1.029 -0.798 493 H ARG 59 H ARG 59 0.674 -1.886 -5.849 494 HA ARG 59 HA ARG 59 -1.780 -3.176 -6.907 495 HB2 ARG 59 2HB ARG 59 -0.145 -1.818 -8.554 496 HB3 ARG 59 3HB ARG 59 0.841 -3.273 -8.460 497 HG2 ARG 59 2HG ARG 59 -1.023 -4.617 -9.327 498 HG3 ARG 59 3HG ARG 59 -2.074 -3.201 -9.315 499 HD2 ARG 59 2HD ARG 59 -0.527 -2.133 -11.007 500 HD3 ARG 59 3HD ARG 59 0.344 -3.669 -11.103 501 HE ARG 59 HE ARG 59 -2.536 -3.386 -11.753 502 HH11 ARG 59 1HH1 ARG 59 0.620 -4.692 -12.630 503 HH12 ARG 59 2HH1 ARG 59 0.011 -5.548 -14.011 504 HH21 ARG 59 1HH2 ARG 59 -3.322 -4.574 -13.517 505 HH22 ARG 59 2HH2 ARG 59 -2.229 -5.480 -14.512 506 H PHE 60 H PHE 60 -1.596 -5.490 -7.125 507 HA PHE 60 HA PHE 60 0.558 -6.928 -5.836 508 HB2 PHE 60 2HB PHE 60 -0.519 -6.203 -3.797 509 HB3 PHE 60 3HB PHE 60 -2.131 -6.491 -4.450 510 HD1 PHE 60 HD2 PHE 60 1.002 -8.267 -3.419 511 HD2 PHE 60 HD1 PHE 60 -3.216 -8.569 -4.046 512 HE1 PHE 60 HE2 PHE 60 1.022 -10.535 -2.483 513 HE2 PHE 60 HE1 PHE 60 -3.180 -10.839 -3.111 514 HZ PHE 60 HZ PHE 60 -1.067 -11.827 -2.332 515 H GLU 61 H GLU 61 0.547 -9.024 -6.479 516 HA GLU 61 HA GLU 61 -0.887 -9.776 -8.761 517 HB2 GLU 61 2HB GLU 61 1.413 -10.635 -7.775 518 HB3 GLU 61 3HB GLU 61 0.432 -11.823 -6.941 519 HG2 GLU 61 2HG GLU 61 0.664 -11.459 -9.942 520 HG3 GLU 61 3HG GLU 61 1.392 -12.735 -8.987 521 H LYS 62 H LYS 62 -2.858 -10.645 -8.990 522 HA LYS 62 HA LYS 62 -4.141 -12.164 -6.828 523 HB2 LYS 62 2HB LYS 62 -4.786 -9.688 -6.703 524 HB3 LYS 62 3HB LYS 62 -5.558 -9.864 -8.263 525 HG2 LYS 62 2HG LYS 62 -6.373 -11.450 -5.796 526 HG3 LYS 62 3HG LYS 62 -7.086 -9.901 -6.238 527 HD2 LYS 62 2HD LYS 62 -7.195 -12.448 -7.898 528 HD3 LYS 62 3HD LYS 62 -8.514 -11.779 -6.939 529 HE2 LYS 62 2HE LYS 62 -8.710 -9.864 -8.392 530 HE3 LYS 62 3HE LYS 62 -7.220 -10.278 -9.245 531 HZ1 LYS 62 3HZ LYS 62 -8.346 -12.356 -9.960 532 HZ2 LYS 62 1HZ LYS 62 -9.055 -10.950 -10.577 533 HZ3 LYS 62 2HZ LYS 62 -9.784 -11.771 -9.292 534 H LYS 63 H LYS 63 -3.826 -13.982 -8.050 535 HA LYS 63 HA LYS 63 -5.902 -14.726 -9.801 536 HB2 LYS 63 2HB LYS 63 -4.507 -13.384 -11.421 537 HB3 LYS 63 3HB LYS 63 -3.177 -14.505 -11.164 538 HG2 LYS 63 2HG LYS 63 -4.534 -16.339 -12.126 539 HG3 LYS 63 3HG LYS 63 -5.888 -15.223 -12.346 540 HD2 LYS 63 2HD LYS 63 -3.164 -15.027 -13.689 541 HD3 LYS 63 3HD LYS 63 -4.670 -15.518 -14.467 542 HE2 LYS 63 2HE LYS 63 -5.610 -13.269 -14.108 543 HE3 LYS 63 3HE LYS 63 -4.149 -12.773 -13.252 544 HZ1 LYS 63 3HZ LYS 63 -4.379 -13.493 -16.119 545 HZ2 LYS 63 1HZ LYS 63 -2.909 -13.221 -15.329 546 HZ3 LYS 63 2HZ LYS 63 -4.038 -11.975 -15.466 547 H GLY 64 H GLY 64 -2.459 -15.373 -9.215 548 HA2 GLY 64 2HA GLY 64 -2.865 -18.258 -8.970 549 HA3 GLY 64 3HA GLY 64 -1.342 -17.381 -8.905 550 H LEU 65 H LEU 65 -4.356 -17.141 -7.016 551 HA LEU 65 HA LEU 65 -3.078 -18.102 -4.596 552 HB2 LEU 65 2HB LEU 65 -3.996 -16.003 -3.329 553 HB3 LEU 65 3HB LEU 65 -2.454 -15.926 -4.147 554 HG LEU 65 HG LEU 65 -3.475 -14.619 -6.011 555 HD11 LEU 65 1HD1 LEU 65 -6.041 -14.646 -4.400 556 HD12 LEU 65 2HD1 LEU 65 -5.777 -15.445 -5.951 557 HD13 LEU 65 3HD1 LEU 65 -5.730 -13.687 -5.852 558 HD21 LEU 65 3HD2 LEU 65 -2.455 -13.438 -4.124 559 HD22 LEU 65 1HD2 LEU 65 -3.995 -13.442 -3.259 560 HD23 LEU 65 2HD2 LEU 65 -3.821 -12.524 -4.759 561 H ASP 66 H ASP 66 -4.552 -18.418 -2.847 562 HA ASP 66 HA ASP 66 -7.172 -19.356 -3.670 563 HB2 ASP 66 2HB ASP 66 -5.602 -20.564 -2.037 564 HB3 ASP 66 3HB ASP 66 -5.933 -19.291 -0.871 565 H ASP 67 H ASP 67 -9.127 -18.686 -2.416 566 HA ASP 67 HA ASP 67 -9.577 -15.906 -2.277 567 HB2 ASP 67 2HB ASP 67 -11.436 -17.393 -2.685 568 HB3 ASP 67 3HB ASP 67 -11.157 -18.276 -1.191 569 H ASP 68 H ASP 68 -8.350 -18.147 0.089 570 HA ASP 68 HA ASP 68 -8.619 -16.632 2.457 571 HB2 ASP 68 2HB ASP 68 -8.007 -18.969 2.618 572 HB3 ASP 68 3HB ASP 68 -6.573 -18.738 1.628 573 H ALA 69 H ALA 69 -5.836 -16.938 0.200 574 HA ALA 69 HA ALA 69 -4.156 -15.056 1.483 575 HB1 ALA 69 3HB ALA 69 -4.100 -15.981 -1.406 576 HB2 ALA 69 1HB ALA 69 -3.296 -16.776 -0.052 577 HB3 ALA 69 2HB ALA 69 -2.787 -15.159 -0.554 578 H ARG 70 H ARG 70 -6.415 -14.797 -1.222 579 HA ARG 70 HA ARG 70 -5.989 -12.127 -1.978 580 HB2 ARG 70 2HB ARG 70 -7.235 -13.736 -3.375 581 HB3 ARG 70 3HB ARG 70 -8.516 -13.826 -2.175 582 HG2 ARG 70 2HG ARG 70 -9.119 -11.479 -2.605 583 HG3 ARG 70 3HG ARG 70 -7.785 -11.329 -3.751 584 HD2 ARG 70 2HD ARG 70 -9.908 -11.631 -4.929 585 HD3 ARG 70 3HD ARG 70 -8.842 -13.008 -5.211 586 HE ARG 70 HE ARG 70 -10.604 -13.523 -3.034 587 HH11 ARG 70 1HH1 ARG 70 -10.587 -13.332 -6.565 588 HH12 ARG 70 2HH1 ARG 70 -11.916 -14.429 -6.748 589 HH21 ARG 70 1HH2 ARG 70 -12.365 -14.956 -3.332 590 HH22 ARG 70 2HH2 ARG 70 -12.914 -15.342 -4.917 591 H LYS 71 H LYS 71 -7.961 -13.563 0.582 592 HA LYS 71 HA LYS 71 -9.531 -11.245 1.174 593 HB2 LYS 71 2HB LYS 71 -10.151 -13.645 1.708 594 HB3 LYS 71 3HB LYS 71 -8.966 -13.606 3.009 595 HG2 LYS 71 2HG LYS 71 -10.238 -11.786 4.107 596 HG3 LYS 71 3HG LYS 71 -11.418 -11.812 2.799 597 HD2 LYS 71 2HD LYS 71 -10.851 -14.134 4.688 598 HD3 LYS 71 3HD LYS 71 -12.191 -13.004 4.854 599 HE2 LYS 71 2HE LYS 71 -13.097 -14.973 3.857 600 HE3 LYS 71 3HE LYS 71 -12.993 -13.785 2.564 601 HZ1 LYS 71 3HZ LYS 71 -10.939 -15.880 3.015 602 HZ2 LYS 71 1HZ LYS 71 -11.118 -14.895 1.654 603 HZ3 LYS 71 2HZ LYS 71 -12.264 -16.093 1.992 604 H LYS 72 H LYS 72 -6.609 -12.697 2.627 605 HA LYS 72 HA LYS 72 -6.361 -10.806 4.762 606 HB2 LYS 72 2HB LYS 72 -4.123 -12.488 3.557 607 HB3 LYS 72 3HB LYS 72 -4.175 -11.801 5.177 608 HG2 LYS 72 2HG LYS 72 -5.923 -14.027 4.096 609 HG3 LYS 72 3HG LYS 72 -4.606 -14.198 5.255 610 HD2 LYS 72 2HD LYS 72 -5.845 -13.066 6.976 611 HD3 LYS 72 3HD LYS 72 -7.069 -12.502 5.832 612 HE2 LYS 72 2HE LYS 72 -7.879 -14.382 7.232 613 HE3 LYS 72 3HE LYS 72 -7.880 -14.784 5.517 614 HZ1 LYS 72 3HZ LYS 72 -5.696 -15.554 7.365 615 HZ2 LYS 72 1HZ LYS 72 -5.963 -16.109 5.794 616 HZ3 LYS 72 2HZ LYS 72 -7.025 -16.544 7.031 617 H ALA 73 H ALA 73 -5.231 -10.968 1.465 618 HA ALA 73 HA ALA 73 -3.317 -8.836 1.570 619 HB1 ALA 73 3HB ALA 73 -3.188 -9.154 -0.848 620 HB2 ALA 73 1HB ALA 73 -4.624 -10.186 -0.804 621 HB3 ALA 73 2HB ALA 73 -3.138 -10.702 -0.006 622 H LYS 74 H LYS 74 -6.740 -9.075 0.507 623 HA LYS 74 HA LYS 74 -6.862 -6.456 -0.639 624 HB2 LYS 74 2HB LYS 74 -9.317 -6.691 -0.647 625 HB3 LYS 74 3HB LYS 74 -8.549 -8.149 -1.258 626 HG2 LYS 74 2HG LYS 74 -8.948 -9.288 0.865 627 HG3 LYS 74 3HG LYS 74 -9.654 -7.829 1.551 628 HD2 LYS 74 2HD LYS 74 -10.803 -9.318 -0.847 629 HD3 LYS 74 3HD LYS 74 -11.323 -9.576 0.818 630 HE2 LYS 74 2HE LYS 74 -11.995 -7.166 0.941 631 HE3 LYS 74 3HE LYS 74 -11.567 -6.991 -0.764 632 HZ1 LYS 74 3HZ LYS 74 -13.937 -7.364 -0.480 633 HZ2 LYS 74 1HZ LYS 74 -13.648 -8.828 0.314 634 HZ3 LYS 74 2HZ LYS 74 -13.240 -8.654 -1.316 635 H LYS 75 H LYS 75 -7.654 -7.758 2.563 636 HA LYS 75 HA LYS 75 -8.585 -5.386 3.791 637 HB2 LYS 75 2HB LYS 75 -7.225 -7.822 5.035 638 HB3 LYS 75 3HB LYS 75 -8.038 -6.554 5.952 639 HG2 LYS 75 2HG LYS 75 -10.190 -7.138 4.932 640 HG3 LYS 75 3HG LYS 75 -9.401 -8.341 3.908 641 HD2 LYS 75 2HD LYS 75 -10.501 -9.448 5.786 642 HD3 LYS 75 3HD LYS 75 -8.752 -9.630 5.927 643 HE2 LYS 75 2HE LYS 75 -9.729 -9.144 8.107 644 HE3 LYS 75 3HE LYS 75 -8.730 -7.779 7.602 645 HZ1 LYS 75 3HZ LYS 75 -11.693 -7.936 7.379 646 HZ2 LYS 75 1HZ LYS 75 -10.739 -6.618 6.915 647 HZ3 LYS 75 2HZ LYS 75 -10.839 -7.057 8.542 648 H TRP 76 H TRP 76 -5.393 -6.918 3.587 649 HA TRP 76 HA TRP 76 -3.889 -5.148 5.134 650 HB2 TRP 76 2HB TRP 76 -2.965 -7.293 4.511 651 HB3 TRP 76 3HB TRP 76 -3.118 -6.936 2.793 652 HD1 TRP 76 HD1 TRP 76 -1.183 -5.446 5.838 653 HE1 TRP 76 HE1 TRP 76 1.133 -4.725 5.009 654 HE3 TRP 76 HE3 TRP 76 -1.660 -6.609 0.873 655 HZ2 TRP 76 HZ2 TRP 76 2.574 -4.644 2.627 656 HZ3 TRP 76 HZ3 TRP 76 0.252 -6.170 -0.623 657 HH2 TRP 76 HH2 TRP 76 2.335 -5.204 0.242 658 H ALA 77 H ALA 77 -4.544 -5.115 1.615 659 HA ALA 77 HA ALA 77 -2.872 -2.941 0.942 660 HB1 ALA 77 3HB ALA 77 -5.328 -3.973 -0.517 661 HB2 ALA 77 1HB ALA 77 -3.684 -4.586 -0.699 662 HB3 ALA 77 2HB ALA 77 -4.070 -2.938 -1.204 663 H LEU 78 H LEU 78 -6.211 -3.100 2.040 664 HA LEU 78 HA LEU 78 -6.859 -0.323 1.654 665 HB2 LEU 78 2HB LEU 78 -8.157 -2.483 3.359 666 HB3 LEU 78 3HB LEU 78 -8.833 -0.877 3.146 667 HG LEU 78 HG LEU 78 -8.449 -2.917 0.914 668 HD11 LEU 78 1HD1 LEU 78 -11.002 -2.102 2.340 669 HD12 LEU 78 2HD1 LEU 78 -10.164 -3.648 2.501 670 HD13 LEU 78 3HD1 LEU 78 -10.884 -3.198 0.958 671 HD21 LEU 78 3HD2 LEU 78 -9.816 -1.394 -0.455 672 HD22 LEU 78 1HD2 LEU 78 -8.314 -0.631 0.065 673 HD23 LEU 78 2HD2 LEU 78 -9.835 -0.217 0.862 674 H GLU 79 H GLU 79 -5.621 -2.305 4.336 675 HA GLU 79 HA GLU 79 -5.820 -0.306 6.366 676 HB2 GLU 79 2HB GLU 79 -4.250 -2.907 6.209 677 HB3 GLU 79 3HB GLU 79 -4.168 -1.849 7.614 678 HG2 GLU 79 2HG GLU 79 -6.653 -3.219 6.554 679 HG3 GLU 79 3HG GLU 79 -5.738 -3.678 7.988 680 H VAL 80 H VAL 80 -3.206 -1.295 4.189 681 HA VAL 80 HA VAL 80 -1.154 0.427 5.128 682 HB VAL 80 HB VAL 80 -1.613 -0.759 2.337 683 HG11 VAL 80 1HG1 VAL 80 -0.101 1.164 2.172 684 HG12 VAL 80 2HG1 VAL 80 0.782 -0.338 1.903 685 HG13 VAL 80 3HG1 VAL 80 0.921 0.500 3.452 686 HG21 VAL 80 3HG2 VAL 80 0.211 -1.738 4.559 687 HG22 VAL 80 1HG2 VAL 80 0.056 -2.454 2.953 688 HG23 VAL 80 2HG2 VAL 80 -1.308 -2.486 4.073 689 H ALA 81 H ALA 81 -3.632 0.675 2.614 690 HA ALA 81 HA ALA 81 -3.095 3.184 1.522 691 HB1 ALA 81 3HB ALA 81 -5.761 1.774 1.855 692 HB2 ALA 81 1HB ALA 81 -4.621 1.527 0.533 693 HB3 ALA 81 2HB ALA 81 -5.424 3.082 0.725 694 H ASN 82 H ASN 82 -5.141 2.285 4.289 695 HA ASN 82 HA ASN 82 -6.086 4.949 4.856 696 HB2 ASN 82 2HB ASN 82 -6.329 2.289 6.313 697 HB3 ASN 82 3HB ASN 82 -6.893 3.783 7.050 698 HD21 ASN 82 1HD2 ASN 82 -7.196 2.956 3.585 699 HD22 ASN 82 2HD2 ASN 82 -8.918 2.857 3.616 700 H LYS 83 H LYS 83 -3.420 2.924 5.903 701 HA LYS 83 HA LYS 83 -2.732 4.329 8.279 702 HB2 LYS 83 2HB LYS 83 -1.998 1.962 7.680 703 HB3 LYS 83 3HB LYS 83 -0.869 2.657 6.524 704 HG2 LYS 83 2HG LYS 83 0.341 2.104 8.535 705 HG3 LYS 83 3HG LYS 83 0.250 3.865 8.421 706 HD2 LYS 83 2HD LYS 83 -1.689 3.806 10.024 707 HD3 LYS 83 3HD LYS 83 -1.443 2.064 10.203 708 HE2 LYS 83 2HE LYS 83 -0.394 3.251 12.058 709 HE3 LYS 83 3HE LYS 83 0.860 2.517 11.056 710 HZ1 LYS 83 3HZ LYS 83 1.455 4.762 11.657 711 HZ2 LYS 83 1HZ LYS 83 0.020 5.366 11.013 712 HZ3 LYS 83 2HZ LYS 83 1.183 4.694 9.993 713 H ILE 84 H ILE 84 -1.611 4.467 4.929 714 HA ILE 84 HA ILE 84 0.288 6.577 5.201 715 HB ILE 84 HB ILE 84 -1.104 5.290 2.807 716 HG12 ILE 84 2HG1 ILE 84 1.869 5.190 3.437 717 HG13 ILE 84 3HG1 ILE 84 0.763 4.080 4.205 718 HG21 ILE 84 1HG2 ILE 84 0.457 6.449 1.295 719 HG22 ILE 84 2HG2 ILE 84 1.077 7.388 2.654 720 HG23 ILE 84 3HG2 ILE 84 -0.597 7.590 2.135 721 HD11 ILE 84 3HD1 ILE 84 1.821 3.050 2.293 722 HD12 ILE 84 1HD1 ILE 84 1.245 4.337 1.233 723 HD13 ILE 84 2HD1 ILE 84 0.095 3.228 1.988 724 H ALA 85 H ALA 85 -3.183 6.440 4.345 725 HA ALA 85 HA ALA 85 -3.589 9.157 3.659 726 HB1 ALA 85 3HB ALA 85 -5.251 7.389 3.184 727 HB2 ALA 85 1HB ALA 85 -5.983 8.726 4.078 728 HB3 ALA 85 2HB ALA 85 -5.572 7.222 4.911 729 H ASN 86 H ASN 86 -3.800 7.450 6.744 730 HA ASN 86 HA ASN 86 -4.576 9.609 8.418 731 HB2 ASN 86 2HB ASN 86 -4.708 7.121 8.986 732 HB3 ASN 86 3HB ASN 86 -2.956 7.129 9.204 733 HD21 ASN 86 1HD2 ASN 86 -6.023 8.025 10.591 734 HD22 ASN 86 2HD2 ASN 86 -5.406 8.535 12.123 735 H GLU 87 H GLU 87 -1.513 8.300 7.351 736 HA GLU 87 HA GLU 87 0.267 9.314 9.251 737 HB2 GLU 87 2HB GLU 87 0.507 7.519 7.279 738 HB3 GLU 87 3HB GLU 87 1.094 8.893 6.360 739 HG2 GLU 87 2HG GLU 87 2.986 7.748 7.212 740 HG3 GLU 87 3HG GLU 87 2.827 9.234 8.141 741 H LEU 88 H LEU 88 -0.647 10.585 6.053 742 HA LEU 88 HA LEU 88 0.822 13.089 6.480 743 HB2 LEU 88 2HB LEU 88 -0.616 11.959 4.051 744 HB3 LEU 88 3HB LEU 88 0.096 13.560 4.087 745 HG LEU 88 HG LEU 88 1.680 12.210 2.961 746 HD11 LEU 88 1HD1 LEU 88 2.699 13.704 4.602 747 HD12 LEU 88 2HD1 LEU 88 3.673 12.263 4.332 748 HD13 LEU 88 3HD1 LEU 88 2.704 12.405 5.801 749 HD21 LEU 88 3HD2 LEU 88 1.506 10.118 5.153 750 HD22 LEU 88 1HD2 LEU 88 2.589 10.070 3.756 751 HD23 LEU 88 2HD2 LEU 88 0.844 9.982 3.524 752 H GLY 89 H GLY 89 -2.239 11.965 7.190 753 HA2 GLY 89 2HA GLY 89 -4.177 12.971 7.884 754 HA3 GLY 89 3HA GLY 89 -3.315 14.503 7.885 755 H ALA 90 H ALA 90 -3.620 12.472 5.076 756 HA ALA 90 HA ALA 90 -5.133 14.560 3.629 757 HB1 ALA 90 3HB ALA 90 -2.883 14.024 2.772 758 HB2 ALA 90 1HB ALA 90 -4.130 13.578 1.603 759 HB3 ALA 90 2HB ALA 90 -3.347 12.331 2.579 760 H LYS 91 H LYS 91 -6.114 13.147 1.502 761 HA LYS 91 HA LYS 91 -8.452 11.946 2.651 762 HB2 LYS 91 2HB LYS 91 -8.594 13.441 0.682 763 HB3 LYS 91 3HB LYS 91 -7.661 12.295 -0.273 764 HG2 LYS 91 2HG LYS 91 -9.474 10.651 -0.149 765 HG3 LYS 91 3HG LYS 91 -10.399 11.700 0.924 766 HD2 LYS 91 2HD LYS 91 -9.635 12.439 -1.928 767 HD3 LYS 91 3HD LYS 91 -11.171 11.695 -1.486 768 HE2 LYS 91 2HE LYS 91 -11.750 13.634 -0.107 769 HE3 LYS 91 3HE LYS 91 -10.173 14.363 -0.432 770 HZ1 LYS 91 3HZ LYS 91 -12.320 13.841 -2.421 771 HZ2 LYS 91 1HZ LYS 91 -10.771 14.406 -2.805 772 HZ3 LYS 91 2HZ LYS 91 -11.801 15.345 -1.851 773 H GLN 92 H GLN 92 -9.327 9.910 2.076 774 HA GLN 92 HA GLN 92 -7.600 7.664 2.320 775 HB2 GLN 92 2HB GLN 92 -10.603 7.907 1.845 776 HB3 GLN 92 3HB GLN 92 -9.796 6.350 1.996 777 HG2 GLN 92 2HG GLN 92 -10.847 6.954 4.100 778 HG3 GLN 92 3HG GLN 92 -9.100 6.907 4.283 779 HE21 GLN 92 1HE2 GLN 92 -7.992 8.831 4.775 780 HE22 GLN 92 2HE2 GLN 92 -8.808 10.285 5.224 781 H SER 93 H SER 93 -8.536 5.691 0.763 782 HA SER 93 HA SER 93 -7.346 6.410 -1.842 783 HB2 SER 93 2HB SER 93 -7.312 3.727 -0.405 784 HB3 SER 93 3HB SER 93 -6.347 4.204 -1.811 785 HG SER 93 HG SER 93 -5.841 6.010 -0.011 786 H THR 94 H THR 94 -8.139 5.455 -3.715 787 HA THR 94 HA THR 94 -10.789 4.181 -3.633 788 HB THR 94 HB THR 94 -10.567 6.074 -5.186 789 HG1 THR 94 HG1 THR 94 -11.230 4.937 -7.118 790 HG21 THR 94 3HG2 THR 94 -8.401 4.479 -6.613 791 HG22 THR 94 1HG2 THR 94 -8.156 5.976 -5.702 792 HG23 THR 94 2HG2 THR 94 -9.117 5.988 -7.182 793 H THR 95 H THR 95 -11.084 2.066 -4.351 794 HA THR 95 HA THR 95 -8.636 0.459 -4.835 795 HB THR 95 HB THR 95 -9.495 -0.100 -2.648 796 HG1 THR 95 HG1 THR 95 -9.188 -2.138 -3.062 797 HG21 THR 95 3HG2 THR 95 -12.193 -0.660 -3.936 798 HG22 THR 95 1HG2 THR 95 -11.821 0.690 -2.857 799 HG23 THR 95 2HG2 THR 95 -11.768 -0.965 -2.251 800 H THR 96 H THR 96 -8.752 -1.218 -6.282 801 HA THR 96 HA THR 96 -10.998 -1.317 -8.201 802 HB THR 96 HB THR 96 -8.010 -1.459 -8.873 803 HG1 THR 96 HG1 THR 96 -8.083 0.628 -9.073 804 HG21 THR 96 3HG2 THR 96 -9.436 -2.747 -10.460 805 HG22 THR 96 1HG2 THR 96 -8.698 -1.333 -11.226 806 HG23 THR 96 2HG2 THR 96 -10.397 -1.298 -10.756 807 H THR 97 H THR 97 -11.861 -3.299 -7.945 808 HA THR 97 HA THR 97 -10.218 -5.559 -6.991 809 HB THR 97 HB THR 97 -12.098 -5.072 -5.538 810 HG1 THR 97 HG1 THR 97 -13.280 -7.285 -6.579 811 HG21 THR 97 3HG2 THR 97 -14.456 -5.228 -6.248 812 HG22 THR 97 1HG2 THR 97 -13.944 -5.465 -7.918 813 HG23 THR 97 2HG2 THR 97 -13.620 -3.930 -7.107 814 H ASP 98 H ASP 98 -9.625 -7.034 -8.418 815 HA ASP 98 HA ASP 98 -9.432 -8.392 -10.205 816 HB2 ASP 98 2HB ASP 98 -11.779 -9.076 -9.572 817 HB3 ASP 98 3HB ASP 98 -12.403 -7.872 -10.692 818 H GLY 99 H GLY 99 -9.894 -8.388 -12.822 819 HA2 GLY 99 2HA GLY 99 -9.955 -7.184 -14.840 820 HA3 GLY 99 3HA GLY 99 -9.831 -5.665 -13.951 821 H ASP 100 H ASP 100 -7.984 -8.687 -14.151 822 HA ASP 100 HA ASP 100 -5.813 -9.226 -14.257 823 HB2 ASP 100 2HB ASP 100 -5.846 -8.150 -16.481 824 HB3 ASP 100 3HB ASP 100 -5.489 -6.590 -15.750 825 H THR 101 H THR 101 -5.239 -9.284 -12.156 826 HA THR 101 HA THR 101 -3.968 -8.905 -10.331 827 HB THR 101 HB THR 101 -3.002 -6.337 -11.681 828 HG1 THR 101 HG1 THR 101 -2.497 -7.856 -13.143 829 HG21 THR 101 3HG2 THR 101 -1.614 -8.124 -9.659 830 HG22 THR 101 1HG2 THR 101 -2.282 -6.525 -9.329 831 HG23 THR 101 2HG2 THR 101 -0.916 -6.701 -10.435 832 H PHE 102 H PHE 102 -4.087 -7.708 -8.286 833 HA PHE 102 HA PHE 102 -6.501 -6.049 -8.004 834 HB2 PHE 102 2HB PHE 102 -6.078 -7.976 -6.445 835 HB3 PHE 102 3HB PHE 102 -4.644 -7.158 -5.845 836 HD1 PHE 102 HD2 PHE 102 -8.318 -6.463 -6.346 837 HD2 PHE 102 HD1 PHE 102 -4.891 -5.976 -3.818 838 HE1 PHE 102 HE2 PHE 102 -9.710 -5.336 -4.659 839 HE2 PHE 102 HE1 PHE 102 -6.298 -4.854 -2.144 840 HZ PHE 102 HZ PHE 102 -8.704 -4.530 -2.561 841 H GLU 103 H GLU 103 -6.464 -3.864 -7.352 842 HA GLU 103 HA GLU 103 -3.869 -2.559 -6.860 843 HB2 GLU 103 2HB GLU 103 -4.238 -2.672 -9.345 844 HB3 GLU 103 3HB GLU 103 -5.704 -1.716 -9.142 845 HG2 GLU 103 2HG GLU 103 -4.353 0.170 -8.271 846 HG3 GLU 103 3HG GLU 103 -2.883 -0.792 -8.471 847 H VAL 104 H VAL 104 -4.198 -1.319 -5.081 848 HA VAL 104 HA VAL 104 -6.673 0.290 -4.764 849 HB VAL 104 HB VAL 104 -4.640 -0.515 -2.607 850 HG11 VAL 104 1HG1 VAL 104 -6.264 0.461 -0.989 851 HG12 VAL 104 2HG1 VAL 104 -7.279 0.992 -2.333 852 HG13 VAL 104 3HG1 VAL 104 -5.665 1.677 -2.124 853 HG21 VAL 104 3HG2 VAL 104 -7.468 -1.549 -3.043 854 HG22 VAL 104 1HG2 VAL 104 -6.429 -1.947 -1.670 855 HG23 VAL 104 2HG2 VAL 104 -5.979 -2.459 -3.298 856 H GLU 105 H GLU 105 -6.258 2.315 -5.553 857 HA GLU 105 HA GLU 105 -3.528 3.394 -5.461 858 HB2 GLU 105 2HB GLU 105 -4.741 3.446 -7.618 859 HB3 GLU 105 3HB GLU 105 -5.995 4.458 -6.896 860 HG2 GLU 105 2HG GLU 105 -4.353 6.242 -6.492 861 HG3 GLU 105 3HG GLU 105 -3.064 5.222 -7.137 862 H VAL 106 H VAL 106 -2.967 4.761 -3.969 863 HA VAL 106 HA VAL 106 -4.841 5.999 -2.089 864 HB VAL 106 HB VAL 106 -1.779 5.935 -1.961 865 HG11 VAL 106 1HG1 VAL 106 -3.833 6.355 0.241 866 HG12 VAL 106 2HG1 VAL 106 -2.811 7.601 -0.477 867 HG13 VAL 106 3HG1 VAL 106 -2.080 6.298 0.462 868 HG21 VAL 106 3HG2 VAL 106 -1.936 3.961 -0.494 869 HG22 VAL 106 1HG2 VAL 106 -2.587 3.616 -2.099 870 HG23 VAL 106 2HG2 VAL 106 -3.683 3.900 -0.746 871 H ILE 107 H ILE 107 -5.553 7.955 -2.817 872 HA ILE 107 HA ILE 107 -3.694 9.834 -4.133 873 HB ILE 107 HB ILE 107 -6.744 9.877 -3.937 874 HG12 ILE 107 2HG1 ILE 107 -5.889 8.118 -5.463 875 HG13 ILE 107 3HG1 ILE 107 -6.699 9.386 -6.375 876 HG21 ILE 107 1HG2 ILE 107 -5.906 12.184 -4.013 877 HG22 ILE 107 2HG2 ILE 107 -6.679 11.770 -5.544 878 HG23 ILE 107 3HG2 ILE 107 -4.919 11.802 -5.426 879 HD11 ILE 107 3HD1 ILE 107 -4.703 8.636 -7.507 880 HD12 ILE 107 1HD1 ILE 107 -3.712 9.018 -6.102 881 HD13 ILE 107 2HD1 ILE 107 -4.504 10.314 -7.006 882 H LEU 108 H LEU 108 -2.546 10.642 -2.483 883 HA LEU 108 HA LEU 108 -3.761 11.728 -0.069 884 HB2 LEU 108 2HB LEU 108 -0.892 11.805 -1.074 885 HB3 LEU 108 3HB LEU 108 -1.423 12.346 0.515 886 HG LEU 108 HG LEU 108 -1.540 9.483 -0.508 887 HD11 LEU 108 1HD1 LEU 108 0.246 9.050 1.077 888 HD12 LEU 108 2HD1 LEU 108 0.292 10.748 1.542 889 HD13 LEU 108 3HD1 LEU 108 0.740 10.261 -0.095 890 HD21 LEU 108 3HD2 LEU 108 -2.149 8.888 1.811 891 HD22 LEU 108 1HD2 LEU 108 -3.372 9.904 1.047 892 HD23 LEU 108 2HD2 LEU 108 -2.257 10.602 2.224 893 H GLU 109 H GLU 109 -4.908 13.563 -0.478 894 HA GLU 109 HA GLU 109 -3.756 15.687 -2.161 895 HB2 GLU 109 2HB GLU 109 -6.508 15.510 -0.857 896 HB3 GLU 109 3HB GLU 109 -5.981 16.730 -2.019 897 HG2 GLU 109 2HG GLU 109 -5.565 14.820 -3.661 898 HG3 GLU 109 3HG GLU 109 -6.377 13.760 -2.518 899 H LEU 110 H LEU 110 -2.317 16.916 -1.112 900 HA LEU 110 HA LEU 110 -2.845 17.829 1.663 901 HB2 LEU 110 2HB LEU 110 -0.145 17.657 0.263 902 HB3 LEU 110 3HB LEU 110 -0.426 18.186 1.909 903 HG LEU 110 HG LEU 110 -1.457 15.694 2.136 904 HD11 LEU 110 1HD1 LEU 110 -1.116 15.048 -0.188 905 HD12 LEU 110 2HD1 LEU 110 -0.149 14.042 0.888 906 HD13 LEU 110 3HD1 LEU 110 0.621 15.333 -0.038 907 HD21 LEU 110 3HD2 LEU 110 1.506 16.308 2.301 908 HD22 LEU 110 1HD2 LEU 110 0.689 14.933 3.053 909 HD23 LEU 110 2HD2 LEU 110 0.301 16.573 3.565 910 H GLU 111 H GLU 111 -3.941 18.979 -0.754 911 HA GLU 111 HA GLU 111 -2.998 21.449 -1.559 912 HB2 GLU 111 2HB GLU 111 -5.069 20.502 -2.437 913 HB3 GLU 111 3HB GLU 111 -5.834 20.574 -0.853 914 HG2 GLU 111 2HG GLU 111 -5.691 23.101 -0.997 915 HG3 GLU 111 3HG GLU 111 -5.119 22.913 -2.656 916 H HIS 112 H HIS 112 -4.592 20.576 1.437 917 HA HIS 112 HA HIS 112 -4.165 23.218 2.660 918 HB2 HIS 112 2HB HIS 112 -5.572 20.723 3.743 919 HB3 HIS 112 3HB HIS 112 -5.541 22.307 4.518 920 HD1 HIS 112 HD1 HIS 112 -7.022 24.169 3.469 921 HD2 HIS 112 HD2 HIS 112 -7.380 20.486 1.605 922 HE1 HIS 112 HE1 HIS 112 -8.957 24.394 1.899 923 HE2 HIS 112 HE2 HIS 112 -8.976 22.242 0.610 924 H HIS 113 H HIS 113 -2.801 23.465 4.454 925 HA HIS 113 HA HIS 113 -0.405 21.939 4.413 926 HB2 HIS 113 2HB HIS 113 -0.609 24.417 4.931 927 HB3 HIS 113 3HB HIS 113 -1.265 23.988 6.509 928 HD1 HIS 113 HD1 HIS 113 0.533 24.419 8.183 929 HD2 HIS 113 HD2 HIS 113 2.076 22.786 4.683 930 HE1 HIS 113 HE1 HIS 113 2.998 24.165 8.580 931 HE2 HIS 113 HE2 HIS 113 3.907 23.148 6.471 932 H HIS 114 H HIS 114 -3.299 21.736 6.314 933 HA HIS 114 HA HIS 114 -4.180 20.170 7.646 934 HB2 HIS 114 2HB HIS 114 -1.557 18.641 7.418 935 HB3 HIS 114 3HB HIS 114 -3.024 18.031 8.174 936 HD1 HIS 114 HD1 HIS 114 -1.535 16.830 5.596 937 HD2 HIS 114 HD2 HIS 114 -5.026 19.082 5.617 938 HE1 HIS 114 HE1 HIS 114 -2.712 16.280 3.451 939 HE2 HIS 114 HE2 HIS 114 -4.871 17.555 3.552 940 H HIS 115 H HIS 115 -0.806 20.754 8.583 941 HA HIS 115 HA HIS 115 -1.348 20.969 11.400 942 HB2 HIS 115 2HB HIS 115 1.103 21.822 9.777 943 HB3 HIS 115 3HB HIS 115 1.030 21.716 11.534 944 HD1 HIS 115 HD1 HIS 115 2.266 19.695 12.297 945 HD2 HIS 115 HD2 HIS 115 0.312 18.996 8.690 946 HE1 HIS 115 HE1 HIS 115 2.776 17.311 11.690 947 HE2 HIS 115 HE2 HIS 115 1.456 16.883 9.598 948 H HIS 116 H HIS 116 -2.590 22.617 12.052 949 HA HIS 116 HA HIS 116 -2.107 25.387 11.098 950 HB2 HIS 116 2HB HIS 116 -4.549 25.791 11.123 951 HB3 HIS 116 3HB HIS 116 -4.161 24.488 10.004 952 HD1 HIS 116 HD1 HIS 116 -5.775 25.119 13.357 953 HD2 HIS 116 HD2 HIS 116 -5.332 22.012 10.639 954 HE1 HIS 116 HE1 HIS 116 -7.270 23.286 14.176 955 HE2 HIS 116 HE2 HIS 116 -6.785 21.347 12.666 956 H HIS 117 H HIS 117 -3.733 26.788 12.772 957 HA HIS 117 HA HIS 117 -3.350 25.795 15.535 958 HB2 HIS 117 2HB HIS 117 -2.651 28.593 14.521 959 HB3 HIS 117 3HB HIS 117 -2.819 28.191 16.229 960 HD1 HIS 117 HD1 HIS 117 -0.424 28.062 13.424 961 HD2 HIS 117 HD2 HIS 117 -0.800 26.371 17.201 962 HE1 HIS 117 HE1 HIS 117 1.832 27.094 13.965 963 HE2 HIS 117 HE2 HIS 117 1.607 26.227 16.313 Start of MODEL 9 1 H1 MET 1 1H MET 1 4.933 -23.559 7.420 2 H2 MET 1 2H MET 1 6.234 -22.883 6.584 3 H3 MET 1 3H MET 1 5.226 -23.997 5.819 4 HA MET 1 HA MET 1 3.374 -22.477 5.955 5 HB2 MET 1 2HB MET 1 5.435 -20.587 7.181 6 HB3 MET 1 3HB MET 1 3.818 -20.101 6.677 7 HG2 MET 1 2HG MET 1 3.895 -20.401 9.089 8 HG3 MET 1 3HG MET 1 2.841 -21.617 8.365 9 HE1 MET 1 3HE MET 1 2.992 -22.966 10.769 10 HE2 MET 1 1HE MET 1 4.111 -21.747 11.392 11 HE3 MET 1 2HE MET 1 4.530 -23.457 11.479 12 H ALA 2 H ALA 2 5.642 -23.411 4.229 13 HA ALA 2 HA ALA 2 6.426 -21.252 2.504 14 HB1 ALA 2 3HB ALA 2 7.837 -23.269 2.759 15 HB2 ALA 2 1HB ALA 2 7.389 -23.022 1.069 16 HB3 ALA 2 2HB ALA 2 6.574 -24.260 2.032 17 H GLY 3 H GLY 3 4.441 -20.268 1.954 18 HA2 GLY 3 2HA GLY 3 2.245 -21.642 0.705 19 HA3 GLY 3 3HA GLY 3 2.460 -19.908 0.845 20 H LYS 4 H LYS 4 3.575 -18.779 -0.724 21 HA LYS 4 HA LYS 4 5.037 -19.899 -2.863 22 HB2 LYS 4 2HB LYS 4 2.617 -20.528 -3.545 23 HB3 LYS 4 3HB LYS 4 2.321 -18.806 -3.764 24 HG2 LYS 4 2HG LYS 4 4.132 -18.742 -5.478 25 HG3 LYS 4 3HG LYS 4 4.364 -20.483 -5.276 26 HD2 LYS 4 2HD LYS 4 2.017 -20.855 -6.044 27 HD3 LYS 4 3HD LYS 4 1.827 -19.114 -6.273 28 HE2 LYS 4 2HE LYS 4 3.561 -19.128 -8.001 29 HE3 LYS 4 3HE LYS 4 3.856 -20.847 -7.722 30 HZ1 LYS 4 3HZ LYS 4 1.273 -19.715 -8.654 31 HZ2 LYS 4 1HZ LYS 4 1.655 -21.353 -8.497 32 HZ3 LYS 4 2HZ LYS 4 2.432 -20.411 -9.668 33 H GLU 5 H GLU 5 5.559 -18.126 -4.529 34 HA GLU 5 HA GLU 5 6.040 -15.612 -3.237 35 HB2 GLU 5 2HB GLU 5 6.540 -16.480 -6.114 36 HB3 GLU 5 3HB GLU 5 7.101 -14.966 -5.408 37 HG2 GLU 5 2HG GLU 5 8.382 -16.383 -3.712 38 HG3 GLU 5 3HG GLU 5 7.981 -17.779 -4.710 39 H LEU 6 H LEU 6 3.845 -14.944 -2.790 40 HA LEU 6 HA LEU 6 2.156 -13.979 -4.935 41 HB2 LEU 6 2HB LEU 6 2.160 -13.543 -1.922 42 HB3 LEU 6 3HB LEU 6 1.074 -12.655 -2.975 43 HG LEU 6 HG LEU 6 0.098 -14.877 -3.731 44 HD11 LEU 6 1HD1 LEU 6 1.929 -16.380 -3.151 45 HD12 LEU 6 2HD1 LEU 6 0.432 -16.877 -2.367 46 HD13 LEU 6 3HD1 LEU 6 1.684 -16.051 -1.433 47 HD21 LEU 6 3HD2 LEU 6 -0.157 -14.234 -0.776 48 HD22 LEU 6 1HD2 LEU 6 -1.305 -15.173 -1.739 49 HD23 LEU 6 2HD2 LEU 6 -1.048 -13.468 -2.094 50 H ARG 7 H ARG 7 3.151 -12.547 -6.238 51 HA ARG 7 HA ARG 7 5.178 -10.720 -5.269 52 HB2 ARG 7 2HB ARG 7 4.139 -11.347 -8.066 53 HB3 ARG 7 3HB ARG 7 5.330 -10.085 -7.759 54 HG2 ARG 7 2HG ARG 7 6.774 -11.856 -6.654 55 HG3 ARG 7 3HG ARG 7 5.644 -13.061 -7.268 56 HD2 ARG 7 2HD ARG 7 6.216 -12.546 -9.550 57 HD3 ARG 7 3HD ARG 7 7.111 -11.097 -9.069 58 HE ARG 7 HE ARG 7 8.541 -12.869 -7.775 59 HH11 ARG 7 1HH1 ARG 7 7.291 -13.239 -11.060 60 HH12 ARG 7 2HH1 ARG 7 8.581 -14.287 -11.554 61 HH21 ARG 7 1HH2 ARG 7 10.197 -14.256 -8.441 62 HH22 ARG 7 2HH2 ARG 7 10.225 -14.860 -10.068 63 H VAL 8 H VAL 8 4.734 -8.776 -4.486 64 HA VAL 8 HA VAL 8 2.358 -7.270 -5.415 65 HB VAL 8 HB VAL 8 2.524 -5.865 -3.487 66 HG11 VAL 8 1HG1 VAL 8 1.554 -8.031 -2.949 67 HG12 VAL 8 2HG1 VAL 8 2.431 -7.406 -1.555 68 HG13 VAL 8 3HG1 VAL 8 3.141 -8.686 -2.545 69 HG21 VAL 8 3HG2 VAL 8 4.367 -5.881 -1.849 70 HG22 VAL 8 1HG2 VAL 8 4.937 -5.434 -3.456 71 HG23 VAL 8 2HG2 VAL 8 5.246 -7.055 -2.833 72 H GLU 9 H GLU 9 2.615 -5.383 -6.601 73 HA GLU 9 HA GLU 9 5.313 -4.134 -6.699 74 HB2 GLU 9 2HB GLU 9 4.489 -4.939 -8.955 75 HB3 GLU 9 3HB GLU 9 3.077 -3.897 -8.782 76 HG2 GLU 9 2HG GLU 9 4.798 -1.962 -8.512 77 HG3 GLU 9 3HG GLU 9 5.973 -3.101 -9.160 78 H ILE 10 H ILE 10 4.964 -2.858 -4.818 79 HA ILE 10 HA ILE 10 2.619 -1.057 -4.829 80 HB ILE 10 HB ILE 10 4.817 -1.131 -2.692 81 HG12 ILE 10 2HG1 ILE 10 3.932 -3.428 -2.827 82 HG13 ILE 10 3HG1 ILE 10 3.410 -2.666 -1.332 83 HG21 ILE 10 1HG2 ILE 10 3.383 0.844 -2.654 84 HG22 ILE 10 2HG2 ILE 10 3.047 -0.162 -1.244 85 HG23 ILE 10 3HG2 ILE 10 1.934 -0.165 -2.614 86 HD11 ILE 10 3HD1 ILE 10 1.650 -4.000 -2.288 87 HD12 ILE 10 1HD1 ILE 10 1.736 -3.105 -3.804 88 HD13 ILE 10 2HD1 ILE 10 1.185 -2.300 -2.330 89 H LYS 11 H LYS 11 2.974 0.736 -6.077 90 HA LYS 11 HA LYS 11 5.729 1.729 -6.530 91 HB2 LYS 11 2HB LYS 11 4.483 0.600 -8.462 92 HB3 LYS 11 3HB LYS 11 3.343 1.935 -8.439 93 HG2 LYS 11 2HG LYS 11 6.310 2.415 -8.813 94 HG3 LYS 11 3HG LYS 11 5.295 1.945 -10.174 95 HD2 LYS 11 2HD LYS 11 3.945 3.977 -9.918 96 HD3 LYS 11 3HD LYS 11 4.829 4.421 -8.456 97 HE2 LYS 11 2HE LYS 11 6.914 4.614 -9.813 98 HE3 LYS 11 3HE LYS 11 5.977 4.260 -11.267 99 HZ1 LYS 11 3HZ LYS 11 6.263 6.612 -11.068 100 HZ2 LYS 11 1HZ LYS 11 5.664 6.620 -9.484 101 HZ3 LYS 11 2HZ LYS 11 4.638 6.262 -10.779 102 H ILE 12 H ILE 12 6.114 3.757 -5.767 103 HA ILE 12 HA ILE 12 3.890 5.572 -5.139 104 HB ILE 12 HB ILE 12 6.858 5.994 -4.518 105 HG12 ILE 12 2HG1 ILE 12 6.118 3.968 -3.336 106 HG13 ILE 12 3HG1 ILE 12 6.319 5.276 -2.175 107 HG21 ILE 12 1HG2 ILE 12 6.012 7.668 -2.883 108 HG22 ILE 12 2HG2 ILE 12 4.365 7.376 -3.438 109 HG23 ILE 12 3HG2 ILE 12 5.557 8.071 -4.538 110 HD11 ILE 12 3HD1 ILE 12 4.351 3.969 -1.703 111 HD12 ILE 12 1HD1 ILE 12 3.712 4.289 -3.313 112 HD13 ILE 12 2HD1 ILE 12 3.896 5.612 -2.155 113 H ASP 13 H ASP 13 3.537 7.412 -6.268 114 HA ASP 13 HA ASP 13 5.364 8.103 -8.491 115 HB2 ASP 13 2HB ASP 13 3.174 7.201 -9.230 116 HB3 ASP 13 3HB ASP 13 2.340 8.456 -8.314 117 H CYS 14 H CYS 14 6.367 9.996 -8.205 118 HA CYS 14 HA CYS 14 5.277 11.981 -6.289 119 HB2 CYS 14 2HB CYS 14 7.477 10.976 -5.690 120 HB3 CYS 14 3HB CYS 14 8.159 11.603 -7.193 121 HG CYS 14 HG CYS 14 8.216 13.015 -4.355 122 H GLY 15 H GLY 15 5.574 14.233 -6.799 123 HA2 GLY 15 2HA GLY 15 4.971 14.935 -9.526 124 HA3 GLY 15 3HA GLY 15 5.135 16.026 -8.162 125 H ASN 16 H ASN 16 6.744 14.546 -10.838 126 HA ASN 16 HA ASN 16 8.523 15.111 -12.068 127 HB2 ASN 16 2HB ASN 16 8.670 17.617 -10.353 128 HB3 ASN 16 3HB ASN 16 9.618 17.350 -11.808 129 HD21 ASN 16 1HD2 ASN 16 8.522 17.246 -13.829 130 HD22 ASN 16 2HD2 ASN 16 6.979 17.985 -14.050 131 H ASP 17 H ASP 17 8.892 14.154 -8.953 132 HA ASP 17 HA ASP 17 11.806 14.276 -8.884 133 HB2 ASP 17 2HB ASP 17 10.429 14.389 -6.761 134 HB3 ASP 17 3HB ASP 17 9.930 12.723 -7.045 135 H ASP 18 H ASP 18 12.288 13.306 -10.794 136 HA ASP 18 HA ASP 18 11.060 11.014 -11.871 137 HB2 ASP 18 2HB ASP 18 13.685 12.344 -12.638 138 HB3 ASP 18 3HB ASP 18 12.861 11.124 -13.607 139 H LYS 19 H LYS 19 11.188 9.518 -10.137 140 HA LYS 19 HA LYS 19 13.029 7.459 -10.732 141 HB2 LYS 19 2HB LYS 19 14.475 8.795 -9.110 142 HB3 LYS 19 3HB LYS 19 13.237 8.574 -7.876 143 HG2 LYS 19 2HG LYS 19 13.567 6.149 -7.915 144 HG3 LYS 19 3HG LYS 19 14.735 6.299 -9.235 145 HD2 LYS 19 2HD LYS 19 16.218 7.633 -7.700 146 HD3 LYS 19 3HD LYS 19 15.064 7.353 -6.391 147 HE2 LYS 19 2HE LYS 19 15.435 4.930 -6.567 148 HE3 LYS 19 3HE LYS 19 16.551 5.187 -7.911 149 HZ1 LYS 19 3HZ LYS 19 17.993 6.422 -6.413 150 HZ2 LYS 19 1HZ LYS 19 17.737 4.849 -5.850 151 HZ3 LYS 19 2HZ LYS 19 16.929 6.148 -5.131 152 H GLU 20 H GLU 20 11.669 5.775 -10.708 153 HA GLU 20 HA GLU 20 9.188 5.796 -9.246 154 HB2 GLU 20 2HB GLU 20 8.861 3.510 -10.224 155 HB3 GLU 20 3HB GLU 20 9.192 4.748 -11.418 156 HG2 GLU 20 2HG GLU 20 10.368 2.839 -12.136 157 HG3 GLU 20 3HG GLU 20 11.591 3.917 -11.468 158 H THR 21 H THR 21 8.604 4.415 -7.492 159 HA THR 21 HA THR 21 10.813 3.017 -6.096 160 HB THR 21 HB THR 21 8.731 4.844 -4.798 161 HG1 THR 21 HG1 THR 21 11.153 5.327 -5.836 162 HG21 THR 21 3HG2 THR 21 10.962 3.216 -3.506 163 HG22 THR 21 1HG2 THR 21 9.224 2.925 -3.318 164 HG23 THR 21 2HG2 THR 21 9.951 4.399 -2.677 165 H THR 22 H THR 22 10.206 0.968 -6.459 166 HA THR 22 HA THR 22 7.447 0.105 -5.843 167 HB THR 22 HB THR 22 8.195 -2.046 -7.097 168 HG1 THR 22 HG1 THR 22 10.122 -0.311 -8.267 169 HG21 THR 22 3HG2 THR 22 7.702 -1.095 -9.306 170 HG22 THR 22 1HG2 THR 22 7.981 0.532 -8.684 171 HG23 THR 22 2HG2 THR 22 6.621 -0.426 -8.081 172 H TYR 23 H TYR 23 7.109 -1.389 -4.242 173 HA TYR 23 HA TYR 23 9.430 -2.116 -2.549 174 HB2 TYR 23 2HB TYR 23 6.447 -2.085 -1.857 175 HB3 TYR 23 3HB TYR 23 7.757 -2.444 -0.737 176 HD1 TYR 23 HD2 TYR 23 9.200 -0.610 0.132 177 HD2 TYR 23 HD1 TYR 23 5.984 0.220 -2.542 178 HE1 TYR 23 HE2 TYR 23 9.358 1.787 0.667 179 HE2 TYR 23 HE1 TYR 23 6.138 2.587 -2.003 180 HH TYR 23 HH TYR 23 6.954 4.033 -0.269 181 H ASP 24 H ASP 24 10.058 -4.152 -2.566 182 HA ASP 24 HA ASP 24 8.438 -6.281 -3.803 183 HB2 ASP 24 2HB ASP 24 10.732 -5.964 -4.683 184 HB3 ASP 24 3HB ASP 24 11.400 -6.122 -3.065 185 H LEU 25 H LEU 25 7.222 -7.342 -2.358 186 HA LEU 25 HA LEU 25 8.493 -8.621 -0.083 187 HB2 LEU 25 2HB LEU 25 6.939 -7.903 1.599 188 HB3 LEU 25 3HB LEU 25 7.652 -6.490 0.860 189 HG LEU 25 HG LEU 25 5.331 -6.651 -0.589 190 HD11 LEU 25 1HD1 LEU 25 4.515 -7.649 2.147 191 HD12 LEU 25 2HD1 LEU 25 4.427 -8.562 0.639 192 HD13 LEU 25 3HD1 LEU 25 3.426 -7.127 0.854 193 HD21 LEU 25 3HD2 LEU 25 4.439 -4.852 0.782 194 HD22 LEU 25 1HD2 LEU 25 6.167 -4.640 0.515 195 HD23 LEU 25 2HD2 LEU 25 5.584 -5.240 2.070 196 H TYR 26 H TYR 26 7.013 -10.158 0.926 197 HA TYR 26 HA TYR 26 5.218 -11.462 -0.989 198 HB2 TYR 26 2HB TYR 26 7.743 -12.643 0.263 199 HB3 TYR 26 3HB TYR 26 6.484 -13.633 -0.461 200 HD1 TYR 26 HD1 TYR 26 5.944 -13.310 -2.916 201 HD2 TYR 26 HD2 TYR 26 9.401 -11.554 -1.132 202 HE1 TYR 26 HE1 TYR 26 6.885 -12.915 -5.127 203 HE2 TYR 26 HE2 TYR 26 10.351 -11.157 -3.371 204 HH TYR 26 HH TYR 26 10.124 -11.778 -5.624 205 H PHE 27 H PHE 27 3.422 -11.823 0.049 206 HA PHE 27 HA PHE 27 3.086 -12.121 2.860 207 HB2 PHE 27 2HB PHE 27 1.222 -11.330 1.527 208 HB3 PHE 27 3HB PHE 27 1.285 -12.733 0.475 209 HD1 PHE 27 HD2 PHE 27 0.383 -11.601 3.906 210 HD2 PHE 27 HD1 PHE 27 0.058 -14.753 1.040 211 HE1 PHE 27 HE2 PHE 27 -1.299 -12.714 5.308 212 HE2 PHE 27 HE1 PHE 27 -1.628 -15.858 2.447 213 HZ PHE 27 HZ PHE 27 -2.301 -14.843 4.585 214 H SER 28 H SER 28 4.583 -13.685 3.501 215 HA SER 28 HA SER 28 4.352 -16.464 2.660 216 HB2 SER 28 2HB SER 28 5.901 -15.210 4.984 217 HB3 SER 28 3HB SER 28 6.080 -16.869 4.398 218 HG SER 28 HG SER 28 7.679 -15.544 3.503 219 H LYS 29 H LYS 29 3.229 -14.388 5.209 220 HA LYS 29 HA LYS 29 1.132 -16.113 6.095 221 HB2 LYS 29 2HB LYS 29 3.188 -17.098 7.234 222 HB3 LYS 29 3HB LYS 29 3.410 -15.564 8.066 223 HG2 LYS 29 2HG LYS 29 1.250 -15.871 9.225 224 HG3 LYS 29 3HG LYS 29 0.994 -17.387 8.355 225 HD2 LYS 29 2HD LYS 29 1.803 -17.855 10.620 226 HD3 LYS 29 3HD LYS 29 3.021 -18.347 9.440 227 HE2 LYS 29 2HE LYS 29 4.241 -16.219 9.870 228 HE3 LYS 29 3HE LYS 29 3.037 -15.803 11.095 229 HZ1 LYS 29 3HZ LYS 29 3.673 -17.767 12.346 230 HZ2 LYS 29 1HZ LYS 29 5.021 -16.786 12.076 231 HZ3 LYS 29 2HZ LYS 29 4.807 -18.192 11.165 232 H ALA 30 H ALA 30 -0.169 -14.953 7.826 233 HA ALA 30 HA ALA 30 -0.632 -12.276 7.063 234 HB1 ALA 30 3HB ALA 30 -2.403 -13.782 7.865 235 HB2 ALA 30 1HB ALA 30 -2.383 -12.272 8.778 236 HB3 ALA 30 2HB ALA 30 -1.711 -13.745 9.489 237 H GLU 31 H GLU 31 1.122 -13.611 9.830 238 HA GLU 31 HA GLU 31 1.446 -11.168 11.262 239 HB2 GLU 31 2HB GLU 31 3.130 -13.706 11.373 240 HB3 GLU 31 3HB GLU 31 3.221 -12.377 12.527 241 HG2 GLU 31 2HG GLU 31 0.848 -14.211 12.065 242 HG3 GLU 31 3HG GLU 31 1.922 -14.201 13.463 243 H GLU 32 H GLU 32 3.306 -12.768 8.716 244 HA GLU 32 HA GLU 32 5.614 -11.100 8.814 245 HB2 GLU 32 2HB GLU 32 4.575 -12.506 6.312 246 HB3 GLU 32 3HB GLU 32 6.238 -12.058 6.681 247 HG2 GLU 32 2HG GLU 32 4.584 -14.294 7.859 248 HG3 GLU 32 3HG GLU 32 6.081 -14.420 6.946 249 H ALA 33 H ALA 33 2.684 -11.108 6.790 250 HA ALA 33 HA ALA 33 3.134 -8.868 5.192 251 HB1 ALA 33 3HB ALA 33 0.470 -9.927 6.201 252 HB2 ALA 33 1HB ALA 33 1.332 -10.492 4.768 253 HB3 ALA 33 2HB ALA 33 0.697 -8.846 4.820 254 H LYS 34 H LYS 34 1.832 -9.108 8.461 255 HA LYS 34 HA LYS 34 0.778 -6.531 8.833 256 HB2 LYS 34 2HB LYS 34 0.342 -8.452 10.330 257 HB3 LYS 34 3HB LYS 34 2.026 -8.464 10.835 258 HG2 LYS 34 2HG LYS 34 1.654 -6.160 11.826 259 HG3 LYS 34 3HG LYS 34 -0.066 -6.349 11.467 260 HD2 LYS 34 2HD LYS 34 1.597 -8.150 13.280 261 HD3 LYS 34 3HD LYS 34 0.435 -6.937 13.818 262 HE2 LYS 34 2HE LYS 34 -1.400 -8.204 12.813 263 HE3 LYS 34 3HE LYS 34 -0.263 -9.382 12.152 264 HZ1 LYS 34 3HZ LYS 34 -1.302 -10.199 14.168 265 HZ2 LYS 34 1HZ LYS 34 -0.731 -8.876 15.050 266 HZ3 LYS 34 2HZ LYS 34 0.355 -10.003 14.406 267 H GLU 35 H GLU 35 4.079 -7.771 9.277 268 HA GLU 35 HA GLU 35 5.190 -5.367 10.408 269 HB2 GLU 35 2HB GLU 35 6.150 -7.636 10.803 270 HB3 GLU 35 3HB GLU 35 6.576 -7.743 9.098 271 HG2 GLU 35 2HG GLU 35 8.078 -5.763 9.384 272 HG3 GLU 35 3HG GLU 35 7.701 -5.759 11.107 273 H LEU 36 H LEU 36 5.116 -6.853 7.182 274 HA LEU 36 HA LEU 36 6.630 -4.927 5.774 275 HB2 LEU 36 2HB LEU 36 4.611 -7.017 4.950 276 HB3 LEU 36 3HB LEU 36 5.172 -5.858 3.760 277 HG LEU 36 HG LEU 36 6.467 -7.818 3.444 278 HD11 LEU 36 1HD1 LEU 36 8.224 -5.845 4.951 279 HD12 LEU 36 2HD1 LEU 36 7.751 -5.753 3.251 280 HD13 LEU 36 3HD1 LEU 36 8.769 -7.076 3.805 281 HD21 LEU 36 3HD2 LEU 36 7.803 -8.964 5.144 282 HD22 LEU 36 1HD2 LEU 36 6.087 -8.983 5.544 283 HD23 LEU 36 2HD2 LEU 36 7.175 -7.883 6.396 284 H LEU 37 H LEU 37 3.262 -5.026 6.696 285 HA LEU 37 HA LEU 37 2.137 -2.968 5.174 286 HB2 LEU 37 2HB LEU 37 0.762 -4.450 6.482 287 HB3 LEU 37 3HB LEU 37 1.560 -4.012 7.967 288 HG LEU 37 HG LEU 37 0.024 -1.813 6.580 289 HD11 LEU 37 1HD1 LEU 37 -1.532 -3.701 6.344 290 HD12 LEU 37 2HD1 LEU 37 -2.128 -2.535 7.522 291 HD13 LEU 37 3HD1 LEU 37 -1.400 -4.047 8.072 292 HD21 LEU 37 3HD2 LEU 37 1.194 -1.338 8.702 293 HD22 LEU 37 1HD2 LEU 37 0.282 -2.614 9.511 294 HD23 LEU 37 2HD2 LEU 37 -0.549 -1.175 8.907 295 H LYS 38 H LYS 38 3.913 -2.892 8.234 296 HA LYS 38 HA LYS 38 3.576 -0.094 8.726 297 HB2 LYS 38 2HB LYS 38 5.627 -2.004 9.921 298 HB3 LYS 38 3HB LYS 38 5.142 -0.441 10.580 299 HG2 LYS 38 2HG LYS 38 2.799 -1.379 10.850 300 HG3 LYS 38 3HG LYS 38 3.447 -2.953 10.373 301 HD2 LYS 38 2HD LYS 38 3.333 -2.835 12.808 302 HD3 LYS 38 3HD LYS 38 5.027 -2.863 12.309 303 HE2 LYS 38 2HE LYS 38 5.139 -0.404 12.613 304 HE3 LYS 38 3HE LYS 38 3.445 -0.397 13.105 305 HZ1 LYS 38 3HZ LYS 38 4.921 -0.337 15.012 306 HZ2 LYS 38 1HZ LYS 38 5.647 -1.791 14.542 307 HZ3 LYS 38 2HZ LYS 38 4.023 -1.769 15.007 308 H LYS 39 H LYS 39 6.164 -2.101 7.327 309 HA LYS 39 HA LYS 39 8.160 -0.145 7.009 310 HB2 LYS 39 2HB LYS 39 7.621 -2.712 5.468 311 HB3 LYS 39 3HB LYS 39 9.000 -1.677 5.099 312 HG2 LYS 39 2HG LYS 39 9.792 -1.965 7.458 313 HG3 LYS 39 3HG LYS 39 8.474 -3.116 7.727 314 HD2 LYS 39 2HD LYS 39 9.376 -4.643 6.082 315 HD3 LYS 39 3HD LYS 39 10.555 -3.450 5.531 316 HE2 LYS 39 2HE LYS 39 11.670 -5.124 6.880 317 HE3 LYS 39 3HE LYS 39 11.684 -3.591 7.752 318 HZ1 LYS 39 3HZ LYS 39 9.773 -4.415 9.045 319 HZ2 LYS 39 1HZ LYS 39 11.147 -5.379 9.232 320 HZ3 LYS 39 2HZ LYS 39 9.883 -5.904 8.248 321 H VAL 40 H VAL 40 5.652 -1.235 4.701 322 HA VAL 40 HA VAL 40 6.370 0.557 2.612 323 HB VAL 40 HB VAL 40 3.735 -0.914 3.114 324 HG11 VAL 40 1HG1 VAL 40 4.626 0.532 0.586 325 HG12 VAL 40 2HG1 VAL 40 3.313 1.029 1.656 326 HG13 VAL 40 3HG1 VAL 40 3.180 -0.474 0.741 327 HG21 VAL 40 3HG2 VAL 40 6.050 -1.561 1.248 328 HG22 VAL 40 1HG2 VAL 40 4.555 -2.492 1.400 329 HG23 VAL 40 2HG2 VAL 40 5.676 -2.394 2.759 330 H ALA 41 H ALA 41 4.070 0.786 5.312 331 HA ALA 41 HA ALA 41 2.693 3.110 4.531 332 HB1 ALA 41 3HB ALA 41 1.949 3.284 6.855 333 HB2 ALA 41 1HB ALA 41 3.211 2.153 7.370 334 HB3 ALA 41 2HB ALA 41 1.900 1.603 6.326 335 H GLU 42 H GLU 42 5.579 2.780 6.641 336 HA GLU 42 HA GLU 42 5.821 5.581 7.179 337 HB2 GLU 42 2HB GLU 42 8.001 5.022 8.206 338 HB3 GLU 42 3HB GLU 42 6.730 3.936 8.760 339 HG2 GLU 42 2HG GLU 42 7.536 2.161 7.319 340 HG3 GLU 42 3HG GLU 42 8.694 3.246 6.558 341 H LYS 43 H LYS 43 7.322 3.413 4.789 342 HA LYS 43 HA LYS 43 9.285 5.348 3.932 343 HB2 LYS 43 2HB LYS 43 8.527 2.622 2.812 344 HB3 LYS 43 3HB LYS 43 9.792 3.634 2.117 345 HG2 LYS 43 2HG LYS 43 10.997 3.574 4.309 346 HG3 LYS 43 3HG LYS 43 9.768 2.469 4.926 347 HD2 LYS 43 2HD LYS 43 11.595 1.906 2.545 348 HD3 LYS 43 3HD LYS 43 11.847 1.297 4.180 349 HE2 LYS 43 2HE LYS 43 9.701 0.063 4.034 350 HE3 LYS 43 3HE LYS 43 9.487 0.646 2.382 351 HZ1 LYS 43 3HZ LYS 43 10.410 -1.592 2.411 352 HZ2 LYS 43 1HZ LYS 43 11.723 -1.073 3.338 353 HZ3 LYS 43 2HZ LYS 43 11.534 -0.514 1.758 354 H ALA 44 H ALA 44 6.079 4.385 2.850 355 HA ALA 44 HA ALA 44 6.134 5.800 0.330 356 HB1 ALA 44 3HB ALA 44 4.614 3.904 0.673 357 HB2 ALA 44 1HB ALA 44 3.699 5.366 0.293 358 HB3 ALA 44 2HB ALA 44 3.782 4.780 1.958 359 H ALA 45 H ALA 45 5.006 6.448 3.625 360 HA ALA 45 HA ALA 45 4.075 9.099 3.217 361 HB1 ALA 45 3HB ALA 45 3.498 7.795 5.222 362 HB2 ALA 45 1HB ALA 45 4.253 9.330 5.663 363 HB3 ALA 45 2HB ALA 45 5.184 7.829 5.747 364 H ASP 46 H ASP 46 7.255 7.693 3.599 365 HA ASP 46 HA ASP 46 8.710 10.032 4.367 366 HB2 ASP 46 2HB ASP 46 9.499 7.696 4.844 367 HB3 ASP 46 3HB ASP 46 9.781 7.455 3.126 368 H LYS 47 H LYS 47 7.915 8.460 1.349 369 HA LYS 47 HA LYS 47 9.390 9.972 -0.484 370 HB2 LYS 47 2HB LYS 47 6.562 8.894 -0.837 371 HB3 LYS 47 3HB LYS 47 7.675 9.322 -2.131 372 HG2 LYS 47 2HG LYS 47 8.006 7.042 -0.164 373 HG3 LYS 47 3HG LYS 47 7.509 6.900 -1.846 374 HD2 LYS 47 2HD LYS 47 10.223 7.845 -0.845 375 HD3 LYS 47 3HD LYS 47 9.860 6.286 -1.593 376 HE2 LYS 47 2HE LYS 47 9.174 7.500 -3.673 377 HE3 LYS 47 3HE LYS 47 9.697 9.009 -2.914 378 HZ1 LYS 47 3HZ LYS 47 11.423 6.658 -3.477 379 HZ2 LYS 47 1HZ LYS 47 11.931 8.091 -2.742 380 HZ3 LYS 47 2HZ LYS 47 11.409 8.105 -4.344 381 H ILE 48 H ILE 48 6.234 10.552 1.003 382 HA ILE 48 HA ILE 48 5.693 13.011 -0.374 383 HB ILE 48 HB ILE 48 4.300 11.827 2.077 384 HG12 ILE 48 2HG1 ILE 48 3.753 11.476 -0.912 385 HG13 ILE 48 3HG1 ILE 48 4.310 10.233 0.196 386 HG21 ILE 48 1HG2 ILE 48 2.367 13.209 1.414 387 HG22 ILE 48 2HG2 ILE 48 3.297 13.893 0.079 388 HG23 ILE 48 3HG2 ILE 48 3.773 14.224 1.746 389 HD11 ILE 48 3HD1 ILE 48 2.159 10.252 1.316 390 HD12 ILE 48 1HD1 ILE 48 1.980 9.958 -0.410 391 HD13 ILE 48 2HD1 ILE 48 1.594 11.546 0.256 392 H LYS 49 H LYS 49 7.222 12.136 2.682 393 HA LYS 49 HA LYS 49 7.240 14.581 4.058 394 HB2 LYS 49 2HB LYS 49 9.156 12.234 4.043 395 HB3 LYS 49 3HB LYS 49 9.482 13.641 5.047 396 HG2 LYS 49 2HG LYS 49 7.501 13.275 6.364 397 HG3 LYS 49 3HG LYS 49 6.913 12.035 5.250 398 HD2 LYS 49 2HD LYS 49 7.893 11.058 7.327 399 HD3 LYS 49 3HD LYS 49 8.731 10.537 5.873 400 HE2 LYS 49 2HE LYS 49 10.460 12.341 6.360 401 HE3 LYS 49 3HE LYS 49 9.669 12.552 7.924 402 HZ1 LYS 49 3HZ LYS 49 11.514 11.059 8.156 403 HZ2 LYS 49 1HZ LYS 49 10.951 10.071 6.904 404 HZ3 LYS 49 2HZ LYS 49 10.092 10.170 8.354 405 H LYS 50 H LYS 50 9.442 13.453 1.457 406 HA LYS 50 HA LYS 50 11.217 15.741 1.719 407 HB2 LYS 50 2HB LYS 50 12.377 14.905 -0.268 408 HB3 LYS 50 3HB LYS 50 12.107 13.593 0.871 409 HG2 LYS 50 2HG LYS 50 10.409 12.615 -0.483 410 HG3 LYS 50 3HG LYS 50 10.261 14.055 -1.487 411 HD2 LYS 50 2HD LYS 50 12.700 12.229 -1.416 412 HD3 LYS 50 3HD LYS 50 11.425 12.178 -2.638 413 HE2 LYS 50 2HE LYS 50 11.966 14.487 -3.318 414 HE3 LYS 50 3HE LYS 50 13.229 14.562 -2.086 415 HZ1 LYS 50 3HZ LYS 50 14.152 14.081 -4.253 416 HZ2 LYS 50 1HZ LYS 50 13.175 12.712 -4.411 417 HZ3 LYS 50 2HZ LYS 50 14.381 12.760 -3.229 418 H GLN 51 H GLN 51 8.500 14.834 -0.256 419 HA GLN 51 HA GLN 51 7.771 17.417 -1.116 420 HB2 GLN 51 2HB GLN 51 9.795 17.119 -2.584 421 HB3 GLN 51 3HB GLN 51 9.096 15.646 -3.248 422 HG2 GLN 51 2HG GLN 51 7.269 16.944 -4.250 423 HG3 GLN 51 3HG GLN 51 7.894 18.425 -3.523 424 HE21 GLN 51 1HE2 GLN 51 8.482 15.958 -5.966 425 HE22 GLN 51 2HE2 GLN 51 9.630 16.868 -6.882 426 H GLY 52 H GLY 52 5.647 17.297 -1.838 427 HA2 GLY 52 2HA GLY 52 4.121 15.146 -0.960 428 HA3 GLY 52 3HA GLY 52 3.537 16.447 -1.975 429 H CYS 53 H CYS 53 4.809 13.177 -1.931 430 HA CYS 53 HA CYS 53 4.295 12.608 -4.722 431 HB2 CYS 53 2HB CYS 53 4.632 10.653 -2.405 432 HB3 CYS 53 3HB CYS 53 4.768 10.275 -4.121 433 HG CYS 53 HG CYS 53 6.881 12.472 -2.587 434 H LYS 54 H LYS 54 2.160 13.570 -4.740 435 HA LYS 54 HA LYS 54 0.142 12.650 -2.886 436 HB2 LYS 54 2HB LYS 54 -1.247 14.477 -3.901 437 HB3 LYS 54 3HB LYS 54 0.271 15.002 -3.193 438 HG2 LYS 54 2HG LYS 54 1.249 15.159 -5.491 439 HG3 LYS 54 3HG LYS 54 -0.337 14.734 -6.159 440 HD2 LYS 54 2HD LYS 54 -1.327 16.738 -5.070 441 HD3 LYS 54 3HD LYS 54 0.250 17.158 -4.397 442 HE2 LYS 54 2HE LYS 54 -0.294 18.521 -6.376 443 HE3 LYS 54 3HE LYS 54 1.134 17.526 -6.658 444 HZ1 LYS 54 3HZ LYS 54 -0.431 17.564 -8.543 445 HZ2 LYS 54 1HZ LYS 54 -1.605 16.822 -7.579 446 HZ3 LYS 54 2HZ LYS 54 -0.172 16.007 -7.945 447 H ARG 55 H ARG 55 1.176 11.115 -5.470 448 HA ARG 55 HA ARG 55 -1.414 9.728 -5.676 449 HB2 ARG 55 2HB ARG 55 -1.144 10.875 -7.837 450 HB3 ARG 55 3HB ARG 55 0.490 10.245 -8.018 451 HG2 ARG 55 2HG ARG 55 -0.365 7.964 -8.252 452 HG3 ARG 55 3HG ARG 55 -2.012 8.508 -7.934 453 HD2 ARG 55 2HD ARG 55 -1.643 8.099 -10.327 454 HD3 ARG 55 3HD ARG 55 -1.999 9.802 -10.030 455 HE ARG 55 HE ARG 55 0.743 9.635 -10.017 456 HH11 ARG 55 1HH1 ARG 55 -1.742 8.818 -12.409 457 HH12 ARG 55 2HH1 ARG 55 -0.692 9.130 -13.753 458 HH21 ARG 55 1HH2 ARG 55 2.053 10.074 -11.827 459 HH22 ARG 55 2HH2 ARG 55 1.432 9.831 -13.425 460 H VAL 56 H VAL 56 -1.111 7.865 -4.691 461 HA VAL 56 HA VAL 56 1.408 6.332 -5.001 462 HB VAL 56 HB VAL 56 -0.783 6.118 -2.869 463 HG11 VAL 56 1HG1 VAL 56 0.028 3.864 -3.372 464 HG12 VAL 56 2HG1 VAL 56 0.590 4.365 -1.777 465 HG13 VAL 56 3HG1 VAL 56 1.701 4.386 -3.149 466 HG21 VAL 56 3HG2 VAL 56 0.709 8.029 -2.500 467 HG22 VAL 56 1HG2 VAL 56 2.122 6.970 -2.586 468 HG23 VAL 56 2HG2 VAL 56 0.966 6.799 -1.261 469 H LYS 57 H LYS 57 1.238 4.250 -5.794 470 HA LYS 57 HA LYS 57 -1.377 3.288 -6.813 471 HB2 LYS 57 2HB LYS 57 1.365 2.947 -8.131 472 HB3 LYS 57 3HB LYS 57 -0.176 2.375 -8.770 473 HG2 LYS 57 2HG LYS 57 -0.918 4.716 -9.095 474 HG3 LYS 57 3HG LYS 57 0.598 5.293 -8.395 475 HD2 LYS 57 2HD LYS 57 0.679 5.419 -10.843 476 HD3 LYS 57 3HD LYS 57 1.865 4.261 -10.238 477 HE2 LYS 57 2HE LYS 57 0.753 3.392 -12.229 478 HE3 LYS 57 3HE LYS 57 0.331 2.403 -10.833 479 HZ1 LYS 57 3HZ LYS 57 -1.767 3.683 -10.692 480 HZ2 LYS 57 1HZ LYS 57 -1.615 2.818 -12.136 481 HZ3 LYS 57 2HZ LYS 57 -1.352 4.487 -12.118 482 H ILE 58 H ILE 58 -1.849 1.537 -5.538 483 HA ILE 58 HA ILE 58 0.294 -0.342 -4.730 484 HB ILE 58 HB ILE 58 -2.608 -0.099 -3.791 485 HG12 ILE 58 2HG1 ILE 58 -0.008 0.423 -2.271 486 HG13 ILE 58 3HG1 ILE 58 -1.099 1.662 -2.880 487 HG21 ILE 58 1HG2 ILE 58 -0.526 -2.106 -2.891 488 HG22 ILE 58 2HG2 ILE 58 -1.971 -2.459 -3.834 489 HG23 ILE 58 3HG2 ILE 58 -2.120 -1.895 -2.172 490 HD11 ILE 58 3HD1 ILE 58 -1.386 1.362 -0.508 491 HD12 ILE 58 1HD1 ILE 58 -1.732 -0.354 -0.720 492 HD13 ILE 58 2HD1 ILE 58 -2.846 0.861 -1.355 493 H ARG 59 H ARG 59 0.577 -2.004 -6.096 494 HA ARG 59 HA ARG 59 -1.750 -3.207 -7.495 495 HB2 ARG 59 2HB ARG 59 1.095 -2.916 -8.590 496 HB3 ARG 59 3HB ARG 59 -0.235 -3.744 -9.396 497 HG2 ARG 59 2HG ARG 59 -1.470 -1.550 -9.495 498 HG3 ARG 59 3HG ARG 59 -0.042 -0.767 -8.810 499 HD2 ARG 59 2HD ARG 59 -0.112 -0.507 -11.259 500 HD3 ARG 59 3HD ARG 59 1.290 -1.462 -10.760 501 HE ARG 59 HE ARG 59 -1.194 -2.748 -11.709 502 HH11 ARG 59 1HH1 ARG 59 2.299 -2.346 -12.046 503 HH12 ARG 59 2HH1 ARG 59 2.442 -3.617 -13.216 504 HH21 ARG 59 1HH2 ARG 59 -0.980 -4.397 -13.235 505 HH22 ARG 59 2HH2 ARG 59 0.582 -4.773 -13.888 506 H PHE 60 H PHE 60 -1.589 -5.468 -7.827 507 HA PHE 60 HA PHE 60 0.417 -7.018 -6.420 508 HB2 PHE 60 2HB PHE 60 -0.979 -6.430 -4.535 509 HB3 PHE 60 3HB PHE 60 -2.457 -6.802 -5.422 510 HD1 PHE 60 HD2 PHE 60 0.737 -8.646 -4.564 511 HD2 PHE 60 HD1 PHE 60 -3.539 -8.729 -4.666 512 HE1 PHE 60 HE2 PHE 60 0.754 -10.922 -3.637 513 HE2 PHE 60 HE1 PHE 60 -3.512 -11.007 -3.738 514 HZ PHE 60 HZ PHE 60 -1.369 -12.103 -3.220 515 H GLU 61 H GLU 61 0.550 -9.044 -7.144 516 HA GLU 61 HA GLU 61 -0.919 -9.718 -9.583 517 HB2 GLU 61 2HB GLU 61 1.556 -9.676 -9.651 518 HB3 GLU 61 3HB GLU 61 1.623 -10.877 -8.367 519 HG2 GLU 61 2HG GLU 61 0.432 -12.474 -9.903 520 HG3 GLU 61 3HG GLU 61 0.594 -11.282 -11.195 521 H LYS 62 H LYS 62 -2.577 -11.032 -9.406 522 HA LYS 62 HA LYS 62 -2.464 -13.613 -8.211 523 HB2 LYS 62 2HB LYS 62 -4.277 -13.376 -6.550 524 HB3 LYS 62 3HB LYS 62 -2.955 -12.291 -6.151 525 HG2 LYS 62 2HG LYS 62 -4.646 -10.788 -5.837 526 HG3 LYS 62 3HG LYS 62 -4.463 -10.558 -7.574 527 HD2 LYS 62 2HD LYS 62 -6.294 -12.601 -7.566 528 HD3 LYS 62 3HD LYS 62 -6.692 -11.839 -6.024 529 HE2 LYS 62 2HE LYS 62 -8.098 -10.870 -7.710 530 HE3 LYS 62 3HE LYS 62 -6.902 -9.649 -7.268 531 HZ1 LYS 62 3HZ LYS 62 -5.636 -10.241 -9.247 532 HZ2 LYS 62 1HZ LYS 62 -7.211 -9.781 -9.654 533 HZ3 LYS 62 2HZ LYS 62 -6.778 -11.417 -9.660 534 H LYS 63 H LYS 63 -4.427 -14.835 -8.729 535 HA LYS 63 HA LYS 63 -6.490 -13.666 -10.405 536 HB2 LYS 63 2HB LYS 63 -4.510 -14.249 -11.955 537 HB3 LYS 63 3HB LYS 63 -4.786 -15.938 -11.566 538 HG2 LYS 63 2HG LYS 63 -6.972 -14.206 -12.753 539 HG3 LYS 63 3HG LYS 63 -5.761 -14.966 -13.776 540 HD2 LYS 63 2HD LYS 63 -7.455 -16.611 -11.867 541 HD3 LYS 63 3HD LYS 63 -8.057 -16.146 -13.456 542 HE2 LYS 63 2HE LYS 63 -7.140 -18.389 -13.549 543 HE3 LYS 63 3HE LYS 63 -6.138 -17.309 -14.511 544 HZ1 LYS 63 3HZ LYS 63 -5.503 -18.250 -11.765 545 HZ2 LYS 63 1HZ LYS 63 -4.524 -17.267 -12.726 546 HZ3 LYS 63 2HZ LYS 63 -4.835 -18.858 -13.189 547 H GLY 64 H GLY 64 -4.995 -16.766 -9.546 548 HA2 GLY 64 2HA GLY 64 -7.535 -17.697 -8.319 549 HA3 GLY 64 3HA GLY 64 -6.507 -18.738 -9.305 550 H LEU 65 H LEU 65 -6.951 -17.292 -6.208 551 HA LEU 65 HA LEU 65 -4.784 -18.951 -5.093 552 HB2 LEU 65 2HB LEU 65 -4.025 -17.240 -3.567 553 HB3 LEU 65 3HB LEU 65 -3.876 -16.639 -5.209 554 HG LEU 65 HG LEU 65 -5.972 -15.789 -3.155 555 HD11 LEU 65 1HD1 LEU 65 -4.809 -13.614 -3.158 556 HD12 LEU 65 2HD1 LEU 65 -3.595 -14.253 -4.271 557 HD13 LEU 65 3HD1 LEU 65 -3.740 -14.919 -2.643 558 HD21 LEU 65 3HD2 LEU 65 -6.688 -14.052 -4.739 559 HD22 LEU 65 1HD2 LEU 65 -6.951 -15.662 -5.410 560 HD23 LEU 65 2HD2 LEU 65 -5.586 -14.689 -5.965 561 H ASP 66 H ASP 66 -5.014 -19.096 -2.690 562 HA ASP 66 HA ASP 66 -7.525 -20.151 -1.961 563 HB2 ASP 66 2HB ASP 66 -5.432 -20.960 -0.981 564 HB3 ASP 66 3HB ASP 66 -5.083 -19.377 -0.308 565 H ASP 67 H ASP 67 -9.061 -19.413 -0.496 566 HA ASP 67 HA ASP 67 -10.046 -16.856 -0.760 567 HB2 ASP 67 2HB ASP 67 -11.488 -18.680 -0.078 568 HB3 ASP 67 3HB ASP 67 -10.579 -18.934 1.405 569 H ASP 68 H ASP 68 -7.871 -18.070 1.732 570 HA ASP 68 HA ASP 68 -8.267 -15.869 3.572 571 HB2 ASP 68 2HB ASP 68 -7.674 -18.110 4.460 572 HB3 ASP 68 3HB ASP 68 -6.146 -18.076 3.586 573 H ALA 69 H ALA 69 -5.652 -16.976 1.402 574 HA ALA 69 HA ALA 69 -3.819 -14.893 1.788 575 HB1 ALA 69 3HB ALA 69 -2.848 -15.568 -0.357 576 HB2 ALA 69 1HB ALA 69 -4.313 -16.485 -0.747 577 HB3 ALA 69 2HB ALA 69 -3.285 -16.985 0.596 578 H ARG 70 H ARG 70 -6.621 -15.109 -0.334 579 HA ARG 70 HA ARG 70 -6.298 -12.697 -1.799 580 HB2 ARG 70 2HB ARG 70 -7.779 -14.478 -2.590 581 HB3 ARG 70 3HB ARG 70 -8.767 -14.360 -1.138 582 HG2 ARG 70 2HG ARG 70 -9.510 -12.099 -1.832 583 HG3 ARG 70 3HG ARG 70 -8.520 -12.226 -3.290 584 HD2 ARG 70 2HD ARG 70 -10.890 -12.723 -3.746 585 HD3 ARG 70 3HD ARG 70 -9.861 -14.122 -4.066 586 HE ARG 70 HE ARG 70 -10.810 -14.357 -1.443 587 HH11 ARG 70 1HH1 ARG 70 -12.150 -14.368 -4.709 588 HH12 ARG 70 2HH1 ARG 70 -13.479 -15.398 -4.288 589 HH21 ARG 70 1HH2 ARG 70 -12.565 -15.737 -0.926 590 HH22 ARG 70 2HH2 ARG 70 -13.710 -16.171 -2.155 591 H LYS 71 H LYS 71 -8.189 -13.533 1.087 592 HA LYS 71 HA LYS 71 -9.486 -11.070 1.527 593 HB2 LYS 71 2HB LYS 71 -10.343 -13.121 2.488 594 HB3 LYS 71 3HB LYS 71 -8.844 -13.420 3.357 595 HG2 LYS 71 2HG LYS 71 -9.306 -11.571 4.884 596 HG3 LYS 71 3HG LYS 71 -10.734 -11.116 3.949 597 HD2 LYS 71 2HD LYS 71 -11.301 -12.391 6.029 598 HD3 LYS 71 3HD LYS 71 -11.869 -13.187 4.562 599 HE2 LYS 71 2HE LYS 71 -9.886 -14.709 4.666 600 HE3 LYS 71 3HE LYS 71 -9.406 -13.936 6.180 601 HZ1 LYS 71 3HZ LYS 71 -11.956 -15.397 5.719 602 HZ2 LYS 71 1HZ LYS 71 -11.489 -14.678 7.176 603 HZ3 LYS 71 2HZ LYS 71 -10.630 -15.999 6.567 604 H LYS 72 H LYS 72 -6.438 -12.380 2.799 605 HA LYS 72 HA LYS 72 -5.893 -10.354 4.713 606 HB2 LYS 72 2HB LYS 72 -4.016 -12.278 3.271 607 HB3 LYS 72 3HB LYS 72 -3.527 -11.263 4.622 608 HG2 LYS 72 2HG LYS 72 -5.641 -13.435 4.743 609 HG3 LYS 72 3HG LYS 72 -3.963 -13.622 5.254 610 HD2 LYS 72 2HD LYS 72 -4.332 -11.845 6.981 611 HD3 LYS 72 3HD LYS 72 -6.028 -11.750 6.488 612 HE2 LYS 72 2HE LYS 72 -6.328 -14.132 7.107 613 HE3 LYS 72 3HE LYS 72 -4.640 -14.207 7.620 614 HZ1 LYS 72 3HZ LYS 72 -6.092 -13.880 9.503 615 HZ2 LYS 72 1HZ LYS 72 -6.750 -12.488 8.808 616 HZ3 LYS 72 2HZ LYS 72 -5.131 -12.508 9.285 617 H ALA 73 H ALA 73 -4.640 -10.924 1.409 618 HA ALA 73 HA ALA 73 -2.889 -8.681 1.331 619 HB1 ALA 73 3HB ALA 73 -2.568 -10.691 -0.062 620 HB2 ALA 73 1HB ALA 73 -2.636 -9.232 -1.053 621 HB3 ALA 73 2HB ALA 73 -4.034 -10.307 -0.966 622 H LYS 74 H LYS 74 -6.244 -9.150 0.409 623 HA LYS 74 HA LYS 74 -6.632 -6.824 -1.167 624 HB2 LYS 74 2HB LYS 74 -8.189 -8.761 -1.205 625 HB3 LYS 74 3HB LYS 74 -8.671 -8.409 0.451 626 HG2 LYS 74 2HG LYS 74 -9.637 -6.250 -0.287 627 HG3 LYS 74 3HG LYS 74 -9.133 -6.594 -1.943 628 HD2 LYS 74 2HD LYS 74 -11.522 -7.090 -1.655 629 HD3 LYS 74 3HD LYS 74 -10.625 -8.571 -1.997 630 HE2 LYS 74 2HE LYS 74 -10.703 -9.205 0.362 631 HE3 LYS 74 3HE LYS 74 -11.468 -7.669 0.783 632 HZ1 LYS 74 3HZ LYS 74 -13.142 -9.349 0.664 633 HZ2 LYS 74 1HZ LYS 74 -12.638 -9.843 -0.875 634 HZ3 LYS 74 2HZ LYS 74 -13.353 -8.328 -0.666 635 H LYS 75 H LYS 75 -7.388 -7.499 2.275 636 HA LYS 75 HA LYS 75 -8.296 -4.831 2.834 637 HB2 LYS 75 2HB LYS 75 -9.064 -6.909 4.090 638 HB3 LYS 75 3HB LYS 75 -7.486 -6.947 4.871 639 HG2 LYS 75 2HG LYS 75 -7.987 -4.560 5.692 640 HG3 LYS 75 3HG LYS 75 -9.637 -4.819 5.128 641 HD2 LYS 75 2HD LYS 75 -9.516 -5.252 7.525 642 HD3 LYS 75 3HD LYS 75 -9.832 -6.769 6.677 643 HE2 LYS 75 2HE LYS 75 -7.500 -7.432 6.910 644 HE3 LYS 75 3HE LYS 75 -7.092 -5.864 7.611 645 HZ1 LYS 75 3HZ LYS 75 -8.470 -6.356 9.497 646 HZ2 LYS 75 1HZ LYS 75 -7.346 -7.599 9.287 647 HZ3 LYS 75 2HZ LYS 75 -8.955 -7.824 8.826 648 H TRP 76 H TRP 76 -5.260 -6.533 3.089 649 HA TRP 76 HA TRP 76 -3.726 -5.028 4.843 650 HB2 TRP 76 2HB TRP 76 -2.968 -7.156 3.857 651 HB3 TRP 76 3HB TRP 76 -2.900 -6.435 2.256 652 HD1 TRP 76 HD1 TRP 76 -0.994 -6.473 5.603 653 HE1 TRP 76 HE1 TRP 76 1.392 -5.641 5.180 654 HE3 TRP 76 HE3 TRP 76 -1.435 -5.017 0.707 655 HZ2 TRP 76 HZ2 TRP 76 2.900 -4.530 3.125 656 HZ3 TRP 76 HZ3 TRP 76 0.543 -4.069 -0.419 657 HH2 TRP 76 HH2 TRP 76 2.672 -3.829 0.768 658 H ALA 77 H ALA 77 -4.052 -4.647 1.332 659 HA ALA 77 HA ALA 77 -2.415 -2.428 0.899 660 HB1 ALA 77 3HB ALA 77 -3.247 -3.901 -0.881 661 HB2 ALA 77 1HB ALA 77 -3.634 -2.215 -1.237 662 HB3 ALA 77 2HB ALA 77 -4.887 -3.302 -0.627 663 H LEU 78 H LEU 78 -5.823 -2.632 1.748 664 HA LEU 78 HA LEU 78 -6.511 0.113 1.446 665 HB2 LEU 78 2HB LEU 78 -7.830 -2.054 3.136 666 HB3 LEU 78 3HB LEU 78 -8.576 -0.525 2.684 667 HG LEU 78 HG LEU 78 -7.747 -2.689 0.701 668 HD11 LEU 78 1HD1 LEU 78 -10.122 -3.227 0.468 669 HD12 LEU 78 2HD1 LEU 78 -10.524 -2.082 1.752 670 HD13 LEU 78 3HD1 LEU 78 -9.556 -3.513 2.112 671 HD21 LEU 78 3HD2 LEU 78 -9.374 -0.161 0.282 672 HD22 LEU 78 1HD2 LEU 78 -9.094 -1.421 -0.925 673 HD23 LEU 78 2HD2 LEU 78 -7.740 -0.477 -0.312 674 H GLU 79 H GLU 79 -5.498 -1.878 4.233 675 HA GLU 79 HA GLU 79 -5.761 0.079 6.266 676 HB2 GLU 79 2HB GLU 79 -3.965 -2.377 6.151 677 HB3 GLU 79 3HB GLU 79 -4.214 -1.391 7.592 678 HG2 GLU 79 2HG GLU 79 -6.630 -1.970 7.549 679 HG3 GLU 79 3HG GLU 79 -6.339 -3.006 6.148 680 H VAL 80 H VAL 80 -2.974 -0.888 4.264 681 HA VAL 80 HA VAL 80 -0.981 0.799 5.301 682 HB VAL 80 HB VAL 80 -1.358 -0.173 2.416 683 HG11 VAL 80 1HG1 VAL 80 1.148 0.992 3.694 684 HG12 VAL 80 2HG1 VAL 80 0.164 1.758 2.446 685 HG13 VAL 80 3HG1 VAL 80 1.051 0.279 2.079 686 HG21 VAL 80 3HG2 VAL 80 -1.140 -2.017 4.042 687 HG22 VAL 80 1HG2 VAL 80 0.369 -1.329 4.639 688 HG23 VAL 80 2HG2 VAL 80 0.269 -1.940 2.984 689 H ALA 81 H ALA 81 -3.340 1.298 2.712 690 HA ALA 81 HA ALA 81 -2.615 3.799 1.737 691 HB1 ALA 81 3HB ALA 81 -4.184 2.251 0.638 692 HB2 ALA 81 1HB ALA 81 -4.889 3.860 0.805 693 HB3 ALA 81 2HB ALA 81 -5.385 2.561 1.893 694 H ASN 82 H ASN 82 -5.062 3.032 4.227 695 HA ASN 82 HA ASN 82 -5.736 5.756 4.801 696 HB2 ASN 82 2HB ASN 82 -6.390 3.169 6.268 697 HB3 ASN 82 3HB ASN 82 -7.007 4.741 6.768 698 HD21 ASN 82 1HD2 ASN 82 -7.485 2.092 4.678 699 HD22 ASN 82 2HD2 ASN 82 -8.796 2.741 3.768 700 H LYS 83 H LYS 83 -3.365 3.522 6.091 701 HA LYS 83 HA LYS 83 -2.787 4.749 8.575 702 HB2 LYS 83 2HB LYS 83 -1.958 2.435 7.451 703 HB3 LYS 83 3HB LYS 83 -0.562 3.396 7.006 704 HG2 LYS 83 2HG LYS 83 -1.573 2.906 9.828 705 HG3 LYS 83 3HG LYS 83 -0.196 2.100 9.080 706 HD2 LYS 83 2HD LYS 83 1.015 4.260 8.985 707 HD3 LYS 83 3HD LYS 83 -0.386 5.084 9.673 708 HE2 LYS 83 2HE LYS 83 -0.146 3.716 11.738 709 HE3 LYS 83 3HE LYS 83 1.300 2.964 11.056 710 HZ1 LYS 83 3HZ LYS 83 0.950 5.856 11.669 711 HZ2 LYS 83 1HZ LYS 83 2.323 5.177 10.951 712 HZ3 LYS 83 2HZ LYS 83 1.902 4.759 12.532 713 H ILE 84 H ILE 84 -1.332 5.124 5.354 714 HA ILE 84 HA ILE 84 0.582 7.140 5.930 715 HB ILE 84 HB ILE 84 -0.782 6.553 3.252 716 HG12 ILE 84 2HG1 ILE 84 1.830 5.328 4.264 717 HG13 ILE 84 3HG1 ILE 84 0.271 4.520 4.383 718 HG21 ILE 84 1HG2 ILE 84 1.274 7.464 2.214 719 HG22 ILE 84 2HG2 ILE 84 1.913 7.847 3.815 720 HG23 ILE 84 3HG2 ILE 84 0.468 8.669 3.223 721 HD11 ILE 84 3HD1 ILE 84 0.068 4.511 1.959 722 HD12 ILE 84 1HD1 ILE 84 1.549 3.716 2.492 723 HD13 ILE 84 2HD1 ILE 84 1.620 5.343 1.814 724 H ALA 85 H ALA 85 -2.774 7.241 4.740 725 HA ALA 85 HA ALA 85 -3.073 10.010 4.301 726 HB1 ALA 85 3HB ALA 85 -5.494 9.567 4.346 727 HB2 ALA 85 1HB ALA 85 -5.200 7.987 5.089 728 HB3 ALA 85 2HB ALA 85 -4.643 8.310 3.447 729 H ASN 86 H ASN 86 -3.244 8.104 7.230 730 HA ASN 86 HA ASN 86 -4.569 10.008 8.929 731 HB2 ASN 86 2HB ASN 86 -4.657 7.642 9.532 732 HB3 ASN 86 3HB ASN 86 -2.905 7.522 9.562 733 HD21 ASN 86 1HD2 ASN 86 -1.775 8.311 11.383 734 HD22 ASN 86 2HD2 ASN 86 -2.571 8.720 12.862 735 H GLU 87 H GLU 87 -1.234 9.067 8.302 736 HA GLU 87 HA GLU 87 0.039 10.546 10.339 737 HB2 GLU 87 2HB GLU 87 1.110 9.526 7.675 738 HB3 GLU 87 3HB GLU 87 2.119 10.161 8.972 739 HG2 GLU 87 2HG GLU 87 0.423 7.656 9.038 740 HG3 GLU 87 3HG GLU 87 2.182 7.748 9.011 741 H LEU 88 H LEU 88 -0.734 11.338 6.978 742 HA LEU 88 HA LEU 88 0.885 13.801 7.084 743 HB2 LEU 88 2HB LEU 88 -0.396 12.431 4.690 744 HB3 LEU 88 3HB LEU 88 0.831 13.694 4.649 745 HG LEU 88 HG LEU 88 1.236 10.870 5.723 746 HD11 LEU 88 1HD1 LEU 88 0.993 10.853 3.323 747 HD12 LEU 88 2HD1 LEU 88 2.657 10.501 3.779 748 HD13 LEU 88 3HD1 LEU 88 2.232 12.097 3.155 749 HD21 LEU 88 3HD2 LEU 88 3.626 11.429 5.854 750 HD22 LEU 88 1HD2 LEU 88 2.654 12.426 6.931 751 HD23 LEU 88 2HD2 LEU 88 3.267 13.104 5.419 752 H GLY 89 H GLY 89 -2.366 12.856 7.369 753 HA2 GLY 89 2HA GLY 89 -4.344 14.024 7.469 754 HA3 GLY 89 3HA GLY 89 -3.417 15.519 7.361 755 H ALA 90 H ALA 90 -4.511 12.768 5.440 756 HA ALA 90 HA ALA 90 -4.614 14.424 2.984 757 HB1 ALA 90 3HB ALA 90 -3.412 11.642 3.250 758 HB2 ALA 90 1HB ALA 90 -2.501 13.146 3.063 759 HB3 ALA 90 2HB ALA 90 -3.550 12.583 1.764 760 H LYS 91 H LYS 91 -5.495 12.477 1.225 761 HA LYS 91 HA LYS 91 -8.299 12.313 2.107 762 HB2 LYS 91 2HB LYS 91 -7.150 12.080 -0.711 763 HB3 LYS 91 3HB LYS 91 -8.847 12.268 -0.281 764 HG2 LYS 91 2HG LYS 91 -6.643 14.319 0.084 765 HG3 LYS 91 3HG LYS 91 -7.937 14.371 -1.113 766 HD2 LYS 91 2HD LYS 91 -8.308 14.553 1.906 767 HD3 LYS 91 3HD LYS 91 -8.338 15.916 0.786 768 HE2 LYS 91 2HE LYS 91 -10.313 14.857 -0.356 769 HE3 LYS 91 3HE LYS 91 -10.314 13.610 0.896 770 HZ1 LYS 91 3HZ LYS 91 -10.647 15.369 2.550 771 HZ2 LYS 91 1HZ LYS 91 -11.901 15.331 1.420 772 HZ3 LYS 91 2HZ LYS 91 -10.712 16.526 1.326 773 H GLN 92 H GLN 92 -9.348 10.440 0.402 774 HA GLN 92 HA GLN 92 -8.410 7.920 1.577 775 HB2 GLN 92 2HB GLN 92 -10.981 8.578 0.072 776 HB3 GLN 92 3HB GLN 92 -10.614 7.015 0.796 777 HG2 GLN 92 2HG GLN 92 -10.926 9.628 2.311 778 HG3 GLN 92 3HG GLN 92 -12.147 8.365 2.187 779 HE21 GLN 92 1HE2 GLN 92 -9.075 9.255 3.606 780 HE22 GLN 92 2HE2 GLN 92 -9.027 7.994 4.783 781 H SER 93 H SER 93 -9.179 6.019 -0.126 782 HA SER 93 HA SER 93 -7.366 6.346 -2.452 783 HB2 SER 93 2HB SER 93 -7.953 3.792 -0.884 784 HB3 SER 93 3HB SER 93 -6.678 4.051 -2.088 785 HG SER 93 HG SER 93 -6.323 5.900 -0.289 786 H THR 94 H THR 94 -8.104 5.639 -4.436 787 HA THR 94 HA THR 94 -10.829 4.557 -4.641 788 HB THR 94 HB THR 94 -10.424 6.375 -6.172 789 HG1 THR 94 HG1 THR 94 -10.301 3.957 -7.672 790 HG21 THR 94 3HG2 THR 94 -7.970 6.348 -6.369 791 HG22 THR 94 1HG2 THR 94 -8.730 6.351 -7.966 792 HG23 THR 94 2HG2 THR 94 -8.049 4.859 -7.312 793 H THR 95 H THR 95 -11.065 2.448 -4.629 794 HA THR 95 HA THR 95 -8.783 0.655 -5.198 795 HB THR 95 HB THR 95 -9.435 0.419 -2.902 796 HG1 THR 95 HG1 THR 95 -10.861 -1.799 -3.745 797 HG21 THR 95 3HG2 THR 95 -11.730 -0.122 -2.144 798 HG22 THR 95 1HG2 THR 95 -12.317 0.058 -3.799 799 HG23 THR 95 2HG2 THR 95 -11.663 1.454 -2.937 800 H THR 96 H THR 96 -8.958 -0.811 -6.806 801 HA THR 96 HA THR 96 -11.634 -1.697 -7.694 802 HB THR 96 HB THR 96 -10.548 -2.072 -10.001 803 HG1 THR 96 HG1 THR 96 -8.356 -1.610 -9.002 804 HG21 THR 96 3HG2 THR 96 -10.807 0.832 -9.122 805 HG22 THR 96 1HG2 THR 96 -12.142 -0.210 -9.648 806 HG23 THR 96 2HG2 THR 96 -10.871 0.239 -10.781 807 H THR 97 H THR 97 -11.784 -3.679 -6.832 808 HA THR 97 HA THR 97 -9.485 -5.535 -6.926 809 HB THR 97 HB THR 97 -10.290 -5.108 -4.625 810 HG1 THR 97 HG1 THR 97 -9.843 -7.105 -4.217 811 HG21 THR 97 3HG2 THR 97 -12.961 -6.294 -5.466 812 HG22 THR 97 1HG2 THR 97 -12.668 -4.601 -5.052 813 HG23 THR 97 2HG2 THR 97 -12.482 -5.851 -3.825 814 H ASP 98 H ASP 98 -9.614 -7.085 -8.401 815 HA ASP 98 HA ASP 98 -12.150 -8.201 -9.336 816 HB2 ASP 98 2HB ASP 98 -11.713 -6.158 -10.751 817 HB3 ASP 98 3HB ASP 98 -10.171 -6.845 -11.245 818 H GLY 99 H GLY 99 -11.848 -10.159 -10.536 819 HA2 GLY 99 2HA GLY 99 -9.946 -11.907 -9.450 820 HA3 GLY 99 3HA GLY 99 -10.966 -12.245 -10.829 821 H ASP 100 H ASP 100 -9.780 -9.982 -12.344 822 HA ASP 100 HA ASP 100 -7.724 -11.345 -13.751 823 HB2 ASP 100 2HB ASP 100 -9.298 -9.674 -14.766 824 HB3 ASP 100 3HB ASP 100 -8.525 -8.391 -13.849 825 H THR 101 H THR 101 -7.532 -8.210 -12.000 826 HA THR 101 HA THR 101 -4.940 -8.864 -10.784 827 HB THR 101 HB THR 101 -5.311 -6.384 -12.544 828 HG1 THR 101 HG1 THR 101 -4.919 -8.411 -13.653 829 HG21 THR 101 3HG2 THR 101 -2.837 -7.300 -11.015 830 HG22 THR 101 1HG2 THR 101 -3.841 -5.907 -10.593 831 HG23 THR 101 2HG2 THR 101 -2.928 -5.912 -12.102 832 H PHE 102 H PHE 102 -4.502 -7.610 -8.911 833 HA PHE 102 HA PHE 102 -6.786 -6.089 -7.800 834 HB2 PHE 102 2HB PHE 102 -6.026 -8.045 -6.471 835 HB3 PHE 102 3HB PHE 102 -4.395 -7.383 -6.405 836 HD1 PHE 102 HD2 PHE 102 -7.931 -6.477 -5.534 837 HD2 PHE 102 HD1 PHE 102 -3.792 -6.068 -4.520 838 HE1 PHE 102 HE2 PHE 102 -8.538 -5.221 -3.508 839 HE2 PHE 102 HE1 PHE 102 -4.413 -4.812 -2.507 840 HZ PHE 102 HZ PHE 102 -6.783 -4.384 -1.999 841 H GLU 103 H GLU 103 -6.598 -3.906 -7.832 842 HA GLU 103 HA GLU 103 -4.008 -2.611 -7.361 843 HB2 GLU 103 2HB GLU 103 -4.404 -1.053 -9.337 844 HB3 GLU 103 3HB GLU 103 -3.966 -2.707 -9.748 845 HG2 GLU 103 2HG GLU 103 -6.318 -3.227 -10.241 846 HG3 GLU 103 3HG GLU 103 -6.782 -1.584 -9.806 847 H VAL 104 H VAL 104 -4.304 -1.206 -5.766 848 HA VAL 104 HA VAL 104 -6.762 0.456 -5.568 849 HB VAL 104 HB VAL 104 -4.805 -0.303 -3.328 850 HG11 VAL 104 1HG1 VAL 104 -6.446 0.729 -1.784 851 HG12 VAL 104 2HG1 VAL 104 -7.421 1.244 -3.164 852 HG13 VAL 104 3HG1 VAL 104 -5.798 1.900 -2.934 853 HG21 VAL 104 3HG2 VAL 104 -7.619 -1.353 -3.801 854 HG22 VAL 104 1HG2 VAL 104 -6.611 -1.701 -2.391 855 HG23 VAL 104 2HG2 VAL 104 -6.119 -2.264 -3.990 856 H GLU 105 H GLU 105 -6.234 2.477 -6.470 857 HA GLU 105 HA GLU 105 -3.525 3.566 -6.063 858 HB2 GLU 105 2HB GLU 105 -5.843 4.586 -7.767 859 HB3 GLU 105 3HB GLU 105 -4.329 5.465 -7.552 860 HG2 GLU 105 2HG GLU 105 -3.168 3.342 -8.464 861 HG3 GLU 105 3HG GLU 105 -4.780 2.822 -8.954 862 H VAL 106 H VAL 106 -3.110 4.935 -4.522 863 HA VAL 106 HA VAL 106 -5.249 5.893 -2.749 864 HB VAL 106 HB VAL 106 -2.226 5.856 -2.286 865 HG11 VAL 106 1HG1 VAL 106 -4.496 6.059 -0.285 866 HG12 VAL 106 2HG1 VAL 106 -3.421 7.367 -0.780 867 HG13 VAL 106 3HG1 VAL 106 -2.776 5.986 0.107 868 HG21 VAL 106 3HG2 VAL 106 -4.224 3.704 -1.505 869 HG22 VAL 106 1HG2 VAL 106 -2.517 3.744 -1.049 870 HG23 VAL 106 2HG2 VAL 106 -2.973 3.565 -2.744 871 H ILE 107 H ILE 107 -5.953 7.879 -3.420 872 HA ILE 107 HA ILE 107 -4.047 9.810 -4.576 873 HB ILE 107 HB ILE 107 -7.104 9.915 -4.507 874 HG12 ILE 107 2HG1 ILE 107 -6.312 8.081 -5.963 875 HG13 ILE 107 3HG1 ILE 107 -6.992 9.374 -6.942 876 HG21 ILE 107 1HG2 ILE 107 -6.884 11.766 -6.151 877 HG22 ILE 107 2HG2 ILE 107 -5.130 11.717 -5.965 878 HG23 ILE 107 3HG2 ILE 107 -6.150 12.171 -4.598 879 HD11 ILE 107 3HD1 ILE 107 -4.701 10.134 -7.481 880 HD12 ILE 107 1HD1 ILE 107 -5.009 8.468 -7.971 881 HD13 ILE 107 2HD1 ILE 107 -4.055 8.793 -6.528 882 H LEU 108 H LEU 108 -3.017 10.679 -2.885 883 HA LEU 108 HA LEU 108 -4.524 11.770 -0.590 884 HB2 LEU 108 2HB LEU 108 -1.518 11.416 -1.004 885 HB3 LEU 108 3HB LEU 108 -2.295 11.949 0.479 886 HG LEU 108 HG LEU 108 -2.506 9.180 -0.767 887 HD11 LEU 108 1HD1 LEU 108 -1.281 8.419 1.214 888 HD12 LEU 108 2HD1 LEU 108 -1.110 10.090 1.763 889 HD13 LEU 108 3HD1 LEU 108 -0.344 9.567 0.260 890 HD21 LEU 108 3HD2 LEU 108 -4.619 9.747 0.291 891 HD22 LEU 108 1HD2 LEU 108 -3.792 10.218 1.776 892 HD23 LEU 108 2HD2 LEU 108 -3.770 8.535 1.242 893 H GLU 109 H GLU 109 -5.295 13.758 -1.284 894 HA GLU 109 HA GLU 109 -3.651 15.486 -2.982 895 HB2 GLU 109 2HB GLU 109 -6.442 15.943 -1.855 896 HB3 GLU 109 3HB GLU 109 -5.658 16.908 -3.104 897 HG2 GLU 109 2HG GLU 109 -5.718 15.047 -4.662 898 HG3 GLU 109 3HG GLU 109 -6.319 13.958 -3.412 899 H LEU 110 H LEU 110 -1.973 16.171 -1.646 900 HA LEU 110 HA LEU 110 -2.564 17.622 0.829 901 HB2 LEU 110 2HB LEU 110 0.097 17.065 -0.560 902 HB3 LEU 110 3HB LEU 110 -0.071 17.937 0.949 903 HG LEU 110 HG LEU 110 0.605 15.820 1.665 904 HD11 LEU 110 1HD1 LEU 110 -1.354 16.511 2.921 905 HD12 LEU 110 2HD1 LEU 110 -1.247 14.756 2.821 906 HD13 LEU 110 3HD1 LEU 110 -2.408 15.627 1.810 907 HD21 LEU 110 3HD2 LEU 110 0.499 14.643 -0.467 908 HD22 LEU 110 1HD2 LEU 110 -1.251 14.477 -0.313 909 HD23 LEU 110 2HD2 LEU 110 -0.179 13.658 0.828 910 H GLU 111 H GLU 111 -3.383 19.590 0.516 911 HA GLU 111 HA GLU 111 -1.860 21.559 -1.084 912 HB2 GLU 111 2HB GLU 111 -3.870 21.078 -2.398 913 HB3 GLU 111 3HB GLU 111 -4.898 21.267 -0.982 914 HG2 GLU 111 2HG GLU 111 -4.312 23.678 -0.889 915 HG3 GLU 111 3HG GLU 111 -3.312 23.486 -2.328 916 H HIS 112 H HIS 112 -4.690 21.538 1.137 917 HA HIS 112 HA HIS 112 -3.171 23.306 2.966 918 HB2 HIS 112 2HB HIS 112 -5.239 24.335 1.914 919 HB3 HIS 112 3HB HIS 112 -6.212 23.143 2.771 920 HD1 HIS 112 HD1 HIS 112 -6.796 23.698 5.186 921 HD2 HIS 112 HD2 HIS 112 -3.793 26.136 3.680 922 HE1 HIS 112 HE1 HIS 112 -6.425 25.463 6.928 923 HE2 HIS 112 HE2 HIS 112 -4.732 27.019 5.906 924 H HIS 113 H HIS 113 -2.318 21.944 4.361 925 HA HIS 113 HA HIS 113 -4.013 20.581 6.263 926 HB2 HIS 113 2HB HIS 113 -2.960 18.376 6.075 927 HB3 HIS 113 3HB HIS 113 -3.620 18.807 4.502 928 HD1 HIS 113 HD1 HIS 113 -0.601 17.573 6.055 929 HD2 HIS 113 HD2 HIS 113 -1.482 19.832 2.678 930 HE1 HIS 113 HE1 HIS 113 1.488 17.547 4.666 931 HE2 HIS 113 HE2 HIS 113 0.942 18.948 2.642 932 H HIS 114 H HIS 114 -3.050 20.621 8.243 933 HA HIS 114 HA HIS 114 -0.182 21.119 8.541 934 HB2 HIS 114 2HB HIS 114 -1.266 23.385 8.402 935 HB3 HIS 114 3HB HIS 114 -2.313 22.963 9.753 936 HD1 HIS 114 HD1 HIS 114 1.317 23.679 8.945 937 HD2 HIS 114 HD2 HIS 114 -1.166 23.345 12.265 938 HE1 HIS 114 HE1 HIS 114 2.679 24.485 10.896 939 HE2 HIS 114 HE2 HIS 114 1.103 24.413 12.859 940 H HIS 115 H HIS 115 0.375 19.525 9.829 941 HA HIS 115 HA HIS 115 -0.996 19.013 12.371 942 HB2 HIS 115 2HB HIS 115 -2.037 17.357 10.864 943 HB3 HIS 115 3HB HIS 115 -0.462 16.842 10.270 944 HD1 HIS 115 HD1 HIS 115 -2.691 16.614 13.313 945 HD2 HIS 115 HD2 HIS 115 0.810 14.908 11.858 946 HE1 HIS 115 HE1 HIS 115 -2.185 14.694 14.850 947 HE2 HIS 115 HE2 HIS 115 0.011 13.784 14.034 948 H HIS 116 H HIS 116 1.606 17.972 10.186 949 HA HIS 116 HA HIS 116 3.804 17.593 10.366 950 HB2 HIS 116 2HB HIS 116 3.992 19.880 11.250 951 HB3 HIS 116 3HB HIS 116 3.644 19.318 12.878 952 HD1 HIS 116 HD1 HIS 116 5.637 18.745 14.285 953 HD2 HIS 116 HD2 HIS 116 6.568 18.834 10.233 954 HE1 HIS 116 HE1 HIS 116 8.120 18.416 14.153 955 HE2 HIS 116 HE2 HIS 116 8.669 18.620 11.709 956 H HIS 117 H HIS 117 4.625 15.648 10.804 957 HA HIS 117 HA HIS 117 3.732 13.886 12.794 958 HB2 HIS 117 2HB HIS 117 4.800 13.073 10.725 959 HB3 HIS 117 3HB HIS 117 6.331 13.806 11.195 960 HD1 HIS 117 HD1 HIS 117 4.012 10.964 12.153 961 HD2 HIS 117 HD2 HIS 117 7.901 12.247 12.898 962 HE1 HIS 117 HE1 HIS 117 5.110 9.105 13.438 963 HE2 HIS 117 HE2 HIS 117 7.493 9.849 13.753 Start of MODEL 10 1 H1 MET 1 1H MET 1 9.250 -24.614 -2.004 2 H2 MET 1 2H MET 1 10.743 -24.641 -1.219 3 H3 MET 1 3H MET 1 9.905 -23.185 -1.399 4 HA MET 1 HA MET 1 9.000 -25.513 0.177 5 HB2 MET 1 2HB MET 1 10.036 -22.805 1.146 6 HB3 MET 1 3HB MET 1 9.429 -24.098 2.183 7 HG2 MET 1 2HG MET 1 11.924 -24.156 0.472 8 HG3 MET 1 3HG MET 1 11.835 -24.145 2.238 9 HE1 MET 1 3HE MET 1 13.503 -26.312 0.394 10 HE2 MET 1 1HE MET 1 13.166 -27.785 1.301 11 HE3 MET 1 2HE MET 1 13.548 -26.293 2.159 12 H ALA 2 H ALA 2 8.471 -22.006 -0.455 13 HA ALA 2 HA ALA 2 5.681 -22.027 0.207 14 HB1 ALA 2 3HB ALA 2 5.647 -19.783 -0.864 15 HB2 ALA 2 1HB ALA 2 7.284 -20.051 -1.479 16 HB3 ALA 2 2HB ALA 2 6.997 -19.946 0.257 17 H GLY 3 H GLY 3 4.178 -23.094 -0.958 18 HA2 GLY 3 2HA GLY 3 4.525 -24.270 -3.483 19 HA3 GLY 3 3HA GLY 3 2.986 -24.021 -2.681 20 H LYS 4 H LYS 4 3.137 -21.179 -2.555 21 HA LYS 4 HA LYS 4 3.453 -20.193 -5.286 22 HB2 LYS 4 2HB LYS 4 1.066 -20.938 -5.122 23 HB3 LYS 4 3HB LYS 4 0.832 -19.870 -3.741 24 HG2 LYS 4 2HG LYS 4 -0.070 -18.920 -5.848 25 HG3 LYS 4 3HG LYS 4 1.197 -17.903 -5.146 26 HD2 LYS 4 2HD LYS 4 2.775 -18.506 -6.808 27 HD3 LYS 4 3HD LYS 4 1.871 -19.942 -7.291 28 HE2 LYS 4 2HE LYS 4 0.962 -17.085 -7.777 29 HE3 LYS 4 3HE LYS 4 1.747 -18.125 -8.970 30 HZ1 LYS 4 3HZ LYS 4 -0.092 -19.696 -8.741 31 HZ2 LYS 4 1HZ LYS 4 -0.641 -18.175 -9.233 32 HZ3 LYS 4 2HZ LYS 4 -0.850 -18.672 -7.636 33 H GLU 5 H GLU 5 4.500 -18.315 -5.200 34 HA GLU 5 HA GLU 5 4.555 -16.699 -2.742 35 HB2 GLU 5 2HB GLU 5 6.246 -16.500 -5.265 36 HB3 GLU 5 3HB GLU 5 6.455 -15.520 -3.813 37 HG2 GLU 5 2HG GLU 5 6.939 -17.627 -2.528 38 HG3 GLU 5 3HG GLU 5 6.861 -18.526 -4.044 39 H LEU 6 H LEU 6 3.000 -15.244 -2.650 40 HA LEU 6 HA LEU 6 1.572 -14.239 -4.954 41 HB2 LEU 6 2HB LEU 6 1.306 -13.718 -1.968 42 HB3 LEU 6 3HB LEU 6 0.288 -12.943 -3.163 43 HG LEU 6 HG LEU 6 -0.721 -15.107 -3.778 44 HD11 LEU 6 1HD1 LEU 6 1.133 -16.640 -3.432 45 HD12 LEU 6 2HD1 LEU 6 -0.292 -17.180 -2.549 46 HD13 LEU 6 3HD1 LEU 6 1.038 -16.399 -1.687 47 HD21 LEU 6 3HD2 LEU 6 -0.746 -14.661 -0.782 48 HD22 LEU 6 1HD2 LEU 6 -1.952 -15.568 -1.704 49 HD23 LEU 6 2HD2 LEU 6 -1.757 -13.837 -1.973 50 H ARG 7 H ARG 7 2.647 -12.762 -6.131 51 HA ARG 7 HA ARG 7 4.777 -11.127 -5.096 52 HB2 ARG 7 2HB ARG 7 3.424 -11.101 -7.824 53 HB3 ARG 7 3HB ARG 7 4.917 -10.257 -7.429 54 HG2 ARG 7 2HG ARG 7 6.113 -12.335 -7.182 55 HG3 ARG 7 3HG ARG 7 4.624 -13.280 -7.311 56 HD2 ARG 7 2HD ARG 7 6.059 -13.210 -9.418 57 HD3 ARG 7 3HD ARG 7 4.373 -12.728 -9.636 58 HE ARG 7 HE ARG 7 6.592 -10.772 -9.348 59 HH11 ARG 7 1HH1 ARG 7 3.667 -11.827 -11.034 60 HH12 ARG 7 2HH1 ARG 7 3.617 -10.433 -12.063 61 HH21 ARG 7 1HH2 ARG 7 6.449 -8.911 -10.689 62 HH22 ARG 7 2HH2 ARG 7 5.182 -8.794 -11.874 63 H VAL 8 H VAL 8 4.611 -9.081 -4.359 64 HA VAL 8 HA VAL 8 2.168 -7.483 -4.890 65 HB VAL 8 HB VAL 8 3.830 -7.152 -2.360 66 HG11 VAL 8 1HG1 VAL 8 0.946 -6.462 -3.005 67 HG12 VAL 8 2HG1 VAL 8 2.306 -5.338 -2.930 68 HG13 VAL 8 3HG1 VAL 8 1.762 -6.158 -1.467 69 HG21 VAL 8 3HG2 VAL 8 2.247 -8.586 -1.114 70 HG22 VAL 8 1HG2 VAL 8 3.176 -9.492 -2.311 71 HG23 VAL 8 2HG2 VAL 8 1.499 -9.069 -2.633 72 H GLU 9 H GLU 9 2.811 -5.931 -6.275 73 HA GLU 9 HA GLU 9 5.471 -4.691 -6.026 74 HB2 GLU 9 2HB GLU 9 4.803 -5.521 -8.279 75 HB3 GLU 9 3HB GLU 9 3.386 -4.472 -8.250 76 HG2 GLU 9 2HG GLU 9 4.946 -2.501 -8.047 77 HG3 GLU 9 3HG GLU 9 6.294 -3.610 -8.289 78 H ILE 10 H ILE 10 5.233 -3.197 -4.344 79 HA ILE 10 HA ILE 10 2.928 -1.383 -4.316 80 HB ILE 10 HB ILE 10 5.365 -1.443 -2.454 81 HG12 ILE 10 2HG1 ILE 10 3.983 -3.543 -2.285 82 HG13 ILE 10 3HG1 ILE 10 3.950 -2.594 -0.802 83 HG21 ILE 10 1HG2 ILE 10 4.308 0.762 -2.516 84 HG22 ILE 10 2HG2 ILE 10 3.972 -0.011 -0.969 85 HG23 ILE 10 3HG2 ILE 10 2.724 0.049 -2.213 86 HD11 ILE 10 3HD1 ILE 10 1.737 -1.754 -1.385 87 HD12 ILE 10 1HD1 ILE 10 1.783 -3.516 -1.351 88 HD13 ILE 10 2HD1 ILE 10 1.787 -2.670 -2.896 89 H LYS 11 H LYS 11 3.076 0.378 -5.588 90 HA LYS 11 HA LYS 11 5.701 1.368 -6.524 91 HB2 LYS 11 2HB LYS 11 3.931 0.262 -8.132 92 HB3 LYS 11 3HB LYS 11 3.053 1.775 -7.984 93 HG2 LYS 11 2HG LYS 11 5.933 1.630 -8.887 94 HG3 LYS 11 3HG LYS 11 4.589 1.491 -10.015 95 HD2 LYS 11 2HD LYS 11 3.923 3.753 -9.677 96 HD3 LYS 11 3HD LYS 11 4.881 3.913 -8.199 97 HE2 LYS 11 2HE LYS 11 5.844 5.072 -10.241 98 HE3 LYS 11 3HE LYS 11 6.937 3.941 -9.439 99 HZ1 LYS 11 3HZ LYS 11 5.345 3.346 -11.883 100 HZ2 LYS 11 1HZ LYS 11 6.428 2.295 -11.130 101 HZ3 LYS 11 2HZ LYS 11 6.992 3.713 -11.850 102 H ILE 12 H ILE 12 6.221 3.221 -5.466 103 HA ILE 12 HA ILE 12 4.142 5.182 -4.724 104 HB ILE 12 HB ILE 12 7.101 5.265 -3.952 105 HG12 ILE 12 2HG1 ILE 12 6.103 3.163 -3.031 106 HG13 ILE 12 3HG1 ILE 12 6.516 4.288 -1.746 107 HG21 ILE 12 1HG2 ILE 12 6.311 6.825 -2.180 108 HG22 ILE 12 2HG2 ILE 12 4.671 6.712 -2.819 109 HG23 ILE 12 3HG2 ILE 12 5.955 7.420 -3.802 110 HD11 ILE 12 3HD1 ILE 12 4.421 3.193 -1.307 111 HD12 ILE 12 1HD1 ILE 12 3.765 3.753 -2.843 112 HD13 ILE 12 2HD1 ILE 12 4.150 4.916 -1.570 113 H ASP 13 H ASP 13 3.903 6.965 -5.995 114 HA ASP 13 HA ASP 13 6.106 7.749 -7.821 115 HB2 ASP 13 2HB ASP 13 4.182 6.722 -9.034 116 HB3 ASP 13 3HB ASP 13 3.103 7.924 -8.329 117 H CYS 14 H CYS 14 6.993 9.460 -6.733 118 HA CYS 14 HA CYS 14 5.227 11.507 -5.523 119 HB2 CYS 14 2HB CYS 14 7.224 12.085 -4.113 120 HB3 CYS 14 3HB CYS 14 6.631 10.445 -3.867 121 HG CYS 14 HG CYS 14 9.300 11.111 -5.895 122 H GLY 15 H GLY 15 4.898 12.972 -7.078 123 HA2 GLY 15 2HA GLY 15 5.350 15.041 -7.983 124 HA3 GLY 15 3HA GLY 15 7.057 14.802 -7.655 125 H ASN 16 H ASN 16 8.325 14.544 -9.400 126 HA ASN 16 HA ASN 16 7.566 13.168 -11.805 127 HB2 ASN 16 2HB ASN 16 7.724 15.157 -13.347 128 HB3 ASN 16 3HB ASN 16 6.328 15.219 -12.279 129 HD21 ASN 16 1HD2 ASN 16 6.298 16.774 -10.593 130 HD22 ASN 16 2HD2 ASN 16 7.352 18.146 -10.604 131 H ASP 17 H ASP 17 9.792 15.626 -10.409 132 HA ASP 17 HA ASP 17 12.030 14.521 -11.999 133 HB2 ASP 17 2HB ASP 17 11.578 17.037 -11.940 134 HB3 ASP 17 3HB ASP 17 12.045 17.015 -10.245 135 H ASP 18 H ASP 18 11.406 12.669 -10.386 136 HA ASP 18 HA ASP 18 13.575 12.379 -8.514 137 HB2 ASP 18 2HB ASP 18 11.823 13.556 -7.128 138 HB3 ASP 18 3HB ASP 18 10.709 12.225 -7.443 139 H LYS 19 H LYS 19 14.148 10.280 -8.411 140 HA LYS 19 HA LYS 19 12.977 8.338 -10.099 141 HB2 LYS 19 2HB LYS 19 14.621 6.748 -8.901 142 HB3 LYS 19 3HB LYS 19 15.296 8.109 -9.782 143 HG2 LYS 19 2HG LYS 19 15.652 9.333 -7.681 144 HG3 LYS 19 3HG LYS 19 14.924 8.003 -6.773 145 HD2 LYS 19 2HD LYS 19 16.737 6.522 -7.282 146 HD3 LYS 19 3HD LYS 19 17.375 7.601 -8.528 147 HE2 LYS 19 2HE LYS 19 18.750 7.674 -6.487 148 HE3 LYS 19 3HE LYS 19 18.006 9.239 -6.808 149 HZ1 LYS 19 3HZ LYS 19 17.842 8.732 -4.485 150 HZ2 LYS 19 1HZ LYS 19 17.134 7.236 -4.808 151 HZ3 LYS 19 2HZ LYS 19 16.294 8.651 -5.149 152 H GLU 20 H GLU 20 11.174 7.291 -9.752 153 HA GLU 20 HA GLU 20 9.727 7.190 -7.331 154 HB2 GLU 20 2HB GLU 20 8.279 5.470 -8.657 155 HB3 GLU 20 3HB GLU 20 8.365 7.127 -9.225 156 HG2 GLU 20 2HG GLU 20 8.453 5.647 -11.119 157 HG3 GLU 20 3HG GLU 20 10.014 6.438 -10.945 158 H THR 21 H THR 21 9.072 5.306 -6.084 159 HA THR 21 HA THR 21 11.295 3.379 -5.739 160 HB THR 21 HB THR 21 9.585 4.620 -3.531 161 HG1 THR 21 HG1 THR 21 11.708 5.592 -4.864 162 HG21 THR 21 3HG2 THR 21 12.120 2.950 -3.372 163 HG22 THR 21 1HG2 THR 21 10.495 2.373 -2.969 164 HG23 THR 21 2HG2 THR 21 11.248 3.646 -2.008 165 H THR 22 H THR 22 10.653 1.386 -6.113 166 HA THR 22 HA THR 22 7.831 0.600 -5.711 167 HB THR 22 HB THR 22 9.568 -0.146 -8.121 168 HG1 THR 22 HG1 THR 22 8.982 1.994 -8.374 169 HG21 THR 22 3HG2 THR 22 7.448 -0.981 -9.060 170 HG22 THR 22 1HG2 THR 22 6.623 -0.580 -7.554 171 HG23 THR 22 2HG2 THR 22 7.862 -1.840 -7.573 172 H TYR 23 H TYR 23 7.654 -1.170 -4.496 173 HA TYR 23 HA TYR 23 10.055 -2.743 -3.790 174 HB2 TYR 23 2HB TYR 23 7.437 -2.639 -2.211 175 HB3 TYR 23 3HB TYR 23 9.021 -3.153 -1.651 176 HD1 TYR 23 HD2 TYR 23 10.711 -1.477 -0.933 177 HD2 TYR 23 HD1 TYR 23 6.862 -0.258 -2.338 178 HE1 TYR 23 HE2 TYR 23 11.084 0.783 -0.030 179 HE2 TYR 23 HE1 TYR 23 7.233 1.990 -1.439 180 HH TYR 23 HH TYR 23 8.606 3.112 0.243 181 H ASP 24 H ASP 24 10.081 -4.828 -4.517 182 HA ASP 24 HA ASP 24 7.527 -6.213 -5.125 183 HB2 ASP 24 2HB ASP 24 10.379 -7.025 -5.877 184 HB3 ASP 24 3HB ASP 24 8.923 -7.917 -6.278 185 H LEU 25 H LEU 25 6.860 -6.811 -3.164 186 HA LEU 25 HA LEU 25 8.623 -8.543 -1.499 187 HB2 LEU 25 2HB LEU 25 7.282 -7.836 0.445 188 HB3 LEU 25 3HB LEU 25 8.035 -6.470 -0.340 189 HG LEU 25 HG LEU 25 5.537 -6.390 -1.517 190 HD11 LEU 25 1HD1 LEU 25 3.802 -6.730 0.177 191 HD12 LEU 25 2HD1 LEU 25 4.994 -7.383 1.302 192 HD13 LEU 25 3HD1 LEU 25 4.632 -8.240 -0.197 193 HD21 LEU 25 3HD2 LEU 25 4.993 -4.539 -0.009 194 HD22 LEU 25 1HD2 LEU 25 6.674 -4.469 -0.532 195 HD23 LEU 25 2HD2 LEU 25 6.280 -5.035 1.095 196 H TYR 26 H TYR 26 7.708 -10.511 -0.775 197 HA TYR 26 HA TYR 26 5.353 -11.426 -2.295 198 HB2 TYR 26 2HB TYR 26 7.425 -13.040 -0.741 199 HB3 TYR 26 3HB TYR 26 6.095 -13.717 -1.670 200 HD1 TYR 26 HD1 TYR 26 6.234 -11.965 -4.133 201 HD2 TYR 26 HD2 TYR 26 9.337 -13.897 -1.910 202 HE1 TYR 26 HE1 TYR 26 7.643 -12.018 -6.143 203 HE2 TYR 26 HE2 TYR 26 10.741 -13.954 -3.928 204 HH TYR 26 HH TYR 26 10.495 -13.896 -6.345 205 H PHE 27 H PHE 27 3.486 -11.176 -1.235 206 HA PHE 27 HA PHE 27 3.245 -11.342 1.632 207 HB2 PHE 27 2HB PHE 27 1.627 -9.923 0.787 208 HB3 PHE 27 3HB PHE 27 1.326 -10.889 -0.645 209 HD1 PHE 27 HD2 PHE 27 0.926 -11.206 3.100 210 HD2 PHE 27 HD1 PHE 27 -0.796 -11.843 -0.752 211 HE1 PHE 27 HE2 PHE 27 -1.086 -12.159 4.146 212 HE2 PHE 27 HE1 PHE 27 -2.800 -12.782 0.299 213 HZ PHE 27 HZ PHE 27 -2.934 -12.955 2.736 214 H SER 28 H SER 28 4.176 -13.342 2.034 215 HA SER 28 HA SER 28 2.695 -15.749 1.541 216 HB2 SER 28 2HB SER 28 4.590 -14.994 3.817 217 HB3 SER 28 3HB SER 28 4.056 -16.636 3.421 218 HG SER 28 HG SER 28 5.343 -16.639 1.648 219 H LYS 29 H LYS 29 0.723 -16.170 2.386 220 HA LYS 29 HA LYS 29 -0.889 -14.706 4.069 221 HB2 LYS 29 2HB LYS 29 -0.807 -17.736 3.846 222 HB3 LYS 29 3HB LYS 29 -2.169 -16.794 4.443 223 HG2 LYS 29 2HG LYS 29 -2.604 -15.879 2.248 224 HG3 LYS 29 3HG LYS 29 -1.098 -16.547 1.607 225 HD2 LYS 29 2HD LYS 29 -3.046 -17.903 0.884 226 HD3 LYS 29 3HD LYS 29 -1.968 -18.846 1.913 227 HE2 LYS 29 2HE LYS 29 -3.498 -18.433 3.835 228 HE3 LYS 29 3HE LYS 29 -4.583 -17.549 2.758 229 HZ1 LYS 29 3HZ LYS 29 -5.276 -19.860 3.117 230 HZ2 LYS 29 1HZ LYS 29 -3.831 -20.410 2.431 231 HZ3 LYS 29 2HZ LYS 29 -4.938 -19.553 1.491 232 H ALA 30 H ALA 30 0.278 -13.870 5.864 233 HA ALA 30 HA ALA 30 0.924 -15.508 8.138 234 HB1 ALA 30 3HB ALA 30 2.739 -16.220 6.592 235 HB2 ALA 30 1HB ALA 30 3.396 -15.334 7.967 236 HB3 ALA 30 2HB ALA 30 3.251 -14.538 6.395 237 H GLU 31 H GLU 31 2.430 -14.260 9.674 238 HA GLU 31 HA GLU 31 1.582 -11.630 10.253 239 HB2 GLU 31 2HB GLU 31 2.463 -13.188 11.967 240 HB3 GLU 31 3HB GLU 31 4.054 -13.125 11.218 241 HG2 GLU 31 2HG GLU 31 4.252 -10.741 11.780 242 HG3 GLU 31 3HG GLU 31 2.633 -10.754 12.477 243 H GLU 32 H GLU 32 4.069 -12.890 8.206 244 HA GLU 32 HA GLU 32 5.982 -10.921 7.960 245 HB2 GLU 32 2HB GLU 32 4.833 -12.726 5.778 246 HB3 GLU 32 3HB GLU 32 6.338 -11.820 5.626 247 HG2 GLU 32 2HG GLU 32 7.369 -13.101 7.419 248 HG3 GLU 32 3HG GLU 32 5.846 -13.925 7.756 249 H ALA 33 H ALA 33 2.836 -11.141 6.367 250 HA ALA 33 HA ALA 33 2.932 -9.076 4.526 251 HB1 ALA 33 3HB ALA 33 0.538 -9.904 6.215 252 HB2 ALA 33 1HB ALA 33 1.088 -10.735 4.756 253 HB3 ALA 33 2HB ALA 33 0.481 -9.080 4.653 254 H LYS 34 H LYS 34 1.854 -8.961 7.903 255 HA LYS 34 HA LYS 34 1.165 -6.237 8.075 256 HB2 LYS 34 2HB LYS 34 0.376 -8.008 9.630 257 HB3 LYS 34 3HB LYS 34 2.005 -8.172 10.272 258 HG2 LYS 34 2HG LYS 34 1.859 -5.779 11.068 259 HG3 LYS 34 3HG LYS 34 0.176 -5.761 10.533 260 HD2 LYS 34 2HD LYS 34 0.330 -6.193 12.959 261 HD3 LYS 34 3HD LYS 34 -0.368 -7.576 12.113 262 HE2 LYS 34 2HE LYS 34 1.816 -8.731 12.207 263 HE3 LYS 34 3HE LYS 34 2.519 -7.332 13.031 264 HZ1 LYS 34 3HZ LYS 34 0.285 -8.988 14.086 265 HZ2 LYS 34 1HZ LYS 34 1.009 -7.680 14.871 266 HZ3 LYS 34 2HZ LYS 34 1.897 -9.092 14.589 267 H GLU 35 H GLU 35 4.242 -7.893 8.430 268 HA GLU 35 HA GLU 35 5.645 -5.730 9.711 269 HB2 GLU 35 2HB GLU 35 6.220 -8.219 9.853 270 HB3 GLU 35 3HB GLU 35 6.873 -8.077 8.224 271 HG2 GLU 35 2HG GLU 35 8.432 -6.304 9.057 272 HG3 GLU 35 3HG GLU 35 7.828 -6.584 10.692 273 H LEU 36 H LEU 36 5.328 -6.918 6.347 274 HA LEU 36 HA LEU 36 7.010 -4.996 5.095 275 HB2 LEU 36 2HB LEU 36 4.791 -6.777 4.075 276 HB3 LEU 36 3HB LEU 36 5.413 -5.511 3.034 277 HG LEU 36 HG LEU 36 6.543 -7.445 2.347 278 HD11 LEU 36 1HD1 LEU 36 8.499 -6.044 4.181 279 HD12 LEU 36 2HD1 LEU 36 8.052 -5.561 2.540 280 HD13 LEU 36 3HD1 LEU 36 8.901 -7.080 2.806 281 HD21 LEU 36 3HD2 LEU 36 5.991 -8.956 4.161 282 HD22 LEU 36 1HD2 LEU 36 7.191 -8.189 5.206 283 HD23 LEU 36 2HD2 LEU 36 7.701 -9.062 3.753 284 H LEU 37 H LEU 37 3.620 -4.984 6.026 285 HA LEU 37 HA LEU 37 2.692 -2.617 4.893 286 HB2 LEU 37 2HB LEU 37 1.217 -4.172 5.982 287 HB3 LEU 37 3HB LEU 37 2.044 -4.020 7.506 288 HG LEU 37 HG LEU 37 0.568 -1.603 6.408 289 HD11 LEU 37 1HD1 LEU 37 -1.054 -3.431 6.179 290 HD12 LEU 37 2HD1 LEU 37 -1.521 -2.341 7.481 291 HD13 LEU 37 3HD1 LEU 37 -0.792 -3.904 7.861 292 HD21 LEU 37 3HD2 LEU 37 0.193 -1.102 8.810 293 HD22 LEU 37 1HD2 LEU 37 1.911 -1.299 8.463 294 HD23 LEU 37 2HD2 LEU 37 1.023 -2.598 9.257 295 H LYS 38 H LYS 38 4.405 -3.156 7.949 296 HA LYS 38 HA LYS 38 4.420 -0.530 8.955 297 HB2 LYS 38 2HB LYS 38 4.873 -2.553 10.308 298 HB3 LYS 38 3HB LYS 38 6.384 -2.810 9.439 299 HG2 LYS 38 2HG LYS 38 7.278 -0.694 10.355 300 HG3 LYS 38 3HG LYS 38 5.761 -0.412 11.212 301 HD2 LYS 38 2HD LYS 38 7.683 -2.724 11.686 302 HD3 LYS 38 3HD LYS 38 7.495 -1.308 12.721 303 HE2 LYS 38 2HE LYS 38 5.396 -3.446 12.196 304 HE3 LYS 38 3HE LYS 38 6.308 -3.207 13.688 305 HZ1 LYS 38 3HZ LYS 38 4.093 -2.275 13.860 306 HZ2 LYS 38 1HZ LYS 38 4.362 -1.284 12.524 307 HZ3 LYS 38 2HZ LYS 38 5.245 -1.041 13.943 308 H LYS 39 H LYS 39 6.698 -2.267 6.889 309 HA LYS 39 HA LYS 39 8.805 -0.388 6.834 310 HB2 LYS 39 2HB LYS 39 7.987 -2.517 4.809 311 HB3 LYS 39 3HB LYS 39 9.507 -1.623 4.735 312 HG2 LYS 39 2HG LYS 39 10.158 -2.569 6.933 313 HG3 LYS 39 3HG LYS 39 8.648 -3.486 6.980 314 HD2 LYS 39 2HD LYS 39 9.320 -4.716 4.954 315 HD3 LYS 39 3HD LYS 39 10.809 -3.773 4.851 316 HE2 LYS 39 2HE LYS 39 11.275 -5.970 5.804 317 HE3 LYS 39 3HE LYS 39 11.524 -4.734 7.040 318 HZ1 LYS 39 3HZ LYS 39 9.147 -6.496 6.757 319 HZ2 LYS 39 1HZ LYS 39 9.295 -5.264 7.907 320 HZ3 LYS 39 2HZ LYS 39 10.337 -6.596 7.949 321 H VAL 40 H VAL 40 6.158 -0.994 4.527 322 HA VAL 40 HA VAL 40 6.854 1.025 2.665 323 HB VAL 40 HB VAL 40 4.254 -0.516 3.083 324 HG11 VAL 40 1HG1 VAL 40 4.960 1.302 0.750 325 HG12 VAL 40 2HG1 VAL 40 3.693 1.581 1.946 326 HG13 VAL 40 3HG1 VAL 40 3.557 0.229 0.822 327 HG21 VAL 40 3HG2 VAL 40 4.994 -1.831 1.112 328 HG22 VAL 40 1HG2 VAL 40 6.169 -1.916 2.429 329 HG23 VAL 40 2HG2 VAL 40 6.479 -0.876 1.036 330 H ALA 41 H ALA 41 4.799 1.027 5.525 331 HA ALA 41 HA ALA 41 3.107 3.192 5.004 332 HB1 ALA 41 3HB ALA 41 2.702 3.237 7.441 333 HB2 ALA 41 1HB ALA 41 4.130 2.227 7.703 334 HB3 ALA 41 2HB ALA 41 2.738 1.581 6.833 335 H GLU 42 H GLU 42 6.183 3.176 6.828 336 HA GLU 42 HA GLU 42 6.130 6.034 7.213 337 HB2 GLU 42 2HB GLU 42 8.231 5.694 8.489 338 HB3 GLU 42 3HB GLU 42 6.894 4.706 9.052 339 HG2 GLU 42 2HG GLU 42 8.541 3.127 9.149 340 HG3 GLU 42 3HG GLU 42 8.031 2.869 7.483 341 H LYS 43 H LYS 43 7.718 3.752 5.065 342 HA LYS 43 HA LYS 43 9.679 5.383 3.913 343 HB2 LYS 43 2HB LYS 43 8.201 2.934 2.934 344 HB3 LYS 43 3HB LYS 43 9.224 3.795 1.803 345 HG2 LYS 43 2HG LYS 43 10.317 2.787 4.439 346 HG3 LYS 43 3HG LYS 43 10.172 1.731 3.039 347 HD2 LYS 43 2HD LYS 43 12.429 2.561 3.160 348 HD3 LYS 43 3HD LYS 43 11.647 3.259 1.744 349 HE2 LYS 43 2HE LYS 43 13.076 4.892 2.911 350 HE3 LYS 43 3HE LYS 43 11.382 5.392 2.951 351 HZ1 LYS 43 3HZ LYS 43 11.234 4.533 5.207 352 HZ2 LYS 43 1HZ LYS 43 12.424 5.727 5.085 353 HZ3 LYS 43 2HZ LYS 43 12.870 4.092 5.174 354 H ALA 44 H ALA 44 6.280 4.953 3.024 355 HA ALA 44 HA ALA 44 6.360 6.722 0.767 356 HB1 ALA 44 3HB ALA 44 3.923 6.427 0.727 357 HB2 ALA 44 1HB ALA 44 3.994 5.611 2.291 358 HB3 ALA 44 2HB ALA 44 4.760 4.880 0.879 359 H ALA 45 H ALA 45 5.729 7.059 4.204 360 HA ALA 45 HA ALA 45 4.639 9.693 4.164 361 HB1 ALA 45 3HB ALA 45 5.161 9.753 6.563 362 HB2 ALA 45 1HB ALA 45 6.141 8.292 6.403 363 HB3 ALA 45 2HB ALA 45 4.399 8.226 6.117 364 H ASP 46 H ASP 46 7.947 8.433 4.166 365 HA ASP 46 HA ASP 46 9.392 10.855 4.416 366 HB2 ASP 46 2HB ASP 46 10.113 8.302 2.920 367 HB3 ASP 46 3HB ASP 46 11.229 9.653 3.113 368 H LYS 47 H LYS 47 7.696 9.411 1.730 369 HA LYS 47 HA LYS 47 8.752 11.114 -0.336 370 HB2 LYS 47 2HB LYS 47 6.212 9.435 -0.406 371 HB3 LYS 47 3HB LYS 47 7.091 10.066 -1.797 372 HG2 LYS 47 2HG LYS 47 8.133 8.011 0.165 373 HG3 LYS 47 3HG LYS 47 7.482 7.655 -1.432 374 HD2 LYS 47 2HD LYS 47 9.347 8.938 -2.467 375 HD3 LYS 47 3HD LYS 47 9.988 9.287 -0.855 376 HE2 LYS 47 2HE LYS 47 10.368 6.910 -0.452 377 HE3 LYS 47 3HE LYS 47 9.643 6.500 -2.015 378 HZ1 LYS 47 3HZ LYS 47 12.000 6.503 -2.249 379 HZ2 LYS 47 1HZ LYS 47 12.130 8.039 -1.555 380 HZ3 LYS 47 2HZ LYS 47 11.407 7.852 -3.064 381 H ILE 48 H ILE 48 5.824 11.075 1.697 382 HA ILE 48 HA ILE 48 4.504 13.307 0.522 383 HB ILE 48 HB ILE 48 4.283 12.581 3.481 384 HG12 ILE 48 2HG1 ILE 48 3.948 10.480 2.196 385 HG13 ILE 48 3HG1 ILE 48 2.469 10.989 2.988 386 HG21 ILE 48 1HG2 ILE 48 1.972 13.474 3.253 387 HG22 ILE 48 2HG2 ILE 48 2.299 13.877 1.570 388 HG23 ILE 48 3HG2 ILE 48 3.198 14.677 2.860 389 HD11 ILE 48 3HD1 ILE 48 1.617 11.802 0.848 390 HD12 ILE 48 1HD1 ILE 48 2.045 10.093 0.793 391 HD13 ILE 48 2HD1 ILE 48 3.114 11.290 0.063 392 H LYS 49 H LYS 49 6.990 12.908 2.955 393 HA LYS 49 HA LYS 49 7.196 15.429 4.127 394 HB2 LYS 49 2HB LYS 49 8.307 13.415 4.970 395 HB3 LYS 49 3HB LYS 49 9.315 13.341 3.536 396 HG2 LYS 49 2HG LYS 49 10.415 15.485 4.247 397 HG3 LYS 49 3HG LYS 49 9.445 15.442 5.726 398 HD2 LYS 49 2HD LYS 49 11.710 14.524 6.138 399 HD3 LYS 49 3HD LYS 49 10.478 13.278 6.362 400 HE2 LYS 49 2HE LYS 49 10.973 12.445 4.048 401 HE3 LYS 49 3HE LYS 49 12.261 13.644 3.930 402 HZ1 LYS 49 3HZ LYS 49 13.327 12.578 5.861 403 HZ2 LYS 49 1HZ LYS 49 13.178 11.521 4.547 404 HZ3 LYS 49 2HZ LYS 49 12.129 11.386 5.865 405 H LYS 50 H LYS 50 8.330 14.315 0.978 406 HA LYS 50 HA LYS 50 10.021 16.542 0.375 407 HB2 LYS 50 2HB LYS 50 8.602 14.628 -1.538 408 HB3 LYS 50 3HB LYS 50 9.896 15.739 -1.982 409 HG2 LYS 50 2HG LYS 50 11.403 14.519 -0.368 410 HG3 LYS 50 3HG LYS 50 10.112 13.335 -0.133 411 HD2 LYS 50 2HD LYS 50 10.206 12.734 -2.530 412 HD3 LYS 50 3HD LYS 50 11.435 13.973 -2.811 413 HE2 LYS 50 2HE LYS 50 12.937 12.749 -1.219 414 HE3 LYS 50 3HE LYS 50 11.724 11.470 -1.121 415 HZ1 LYS 50 3HZ LYS 50 13.133 12.339 -3.589 416 HZ2 LYS 50 1HZ LYS 50 11.967 11.119 -3.509 417 HZ3 LYS 50 2HZ LYS 50 13.449 10.928 -2.717 418 H GLN 51 H GLN 51 6.651 15.738 -0.595 419 HA GLN 51 HA GLN 51 5.925 18.576 -0.679 420 HB2 GLN 51 2HB GLN 51 5.665 16.783 -3.132 421 HB3 GLN 51 3HB GLN 51 4.738 18.263 -2.926 422 HG2 GLN 51 2HG GLN 51 6.917 19.525 -2.790 423 HG3 GLN 51 3HG GLN 51 7.746 18.027 -3.210 424 HE21 GLN 51 1HE2 GLN 51 7.679 20.547 -4.664 425 HE22 GLN 51 2HE2 GLN 51 7.036 20.202 -6.230 426 H GLY 52 H GLY 52 4.395 15.496 -1.831 427 HA2 GLY 52 2HA GLY 52 2.521 15.324 0.279 428 HA3 GLY 52 3HA GLY 52 1.799 16.246 -1.033 429 H CYS 53 H CYS 53 3.320 14.639 -3.062 430 HA CYS 53 HA CYS 53 3.100 12.851 -4.409 431 HB2 CYS 53 2HB CYS 53 2.537 11.250 -1.888 432 HB3 CYS 53 3HB CYS 53 3.074 10.605 -3.440 433 HG CYS 53 HG CYS 53 4.817 12.374 -1.152 434 H LYS 54 H LYS 54 1.328 13.435 -5.601 435 HA LYS 54 HA LYS 54 -1.376 13.109 -4.626 436 HB2 LYS 54 2HB LYS 54 -0.316 14.142 -7.282 437 HB3 LYS 54 3HB LYS 54 -2.018 14.143 -6.818 438 HG2 LYS 54 2HG LYS 54 -1.475 15.634 -4.891 439 HG3 LYS 54 3HG LYS 54 0.213 15.641 -5.401 440 HD2 LYS 54 2HD LYS 54 -0.800 17.700 -6.125 441 HD3 LYS 54 3HD LYS 54 -0.485 16.722 -7.556 442 HE2 LYS 54 2HE LYS 54 -3.204 16.875 -6.209 443 HE3 LYS 54 3HE LYS 54 -2.701 17.952 -7.508 444 HZ1 LYS 54 3HZ LYS 54 -2.361 15.946 -8.910 445 HZ2 LYS 54 1HZ LYS 54 -3.963 16.190 -8.446 446 HZ3 LYS 54 2HZ LYS 54 -3.042 15.001 -7.690 447 H ARG 55 H ARG 55 0.670 10.848 -5.646 448 HA ARG 55 HA ARG 55 -1.431 9.090 -6.551 449 HB2 ARG 55 2HB ARG 55 -0.817 10.167 -8.657 450 HB3 ARG 55 3HB ARG 55 0.888 9.829 -8.388 451 HG2 ARG 55 2HG ARG 55 0.536 7.448 -8.718 452 HG3 ARG 55 3HG ARG 55 -1.218 7.671 -8.785 453 HD2 ARG 55 2HD ARG 55 -0.127 7.377 -11.035 454 HD3 ARG 55 3HD ARG 55 -1.054 8.875 -10.872 455 HE ARG 55 HE ARG 55 1.797 9.079 -10.292 456 HH11 ARG 55 1HH1 ARG 55 -0.684 9.454 -12.773 457 HH12 ARG 55 2HH1 ARG 55 0.288 10.501 -13.753 458 HH21 ARG 55 1HH2 ARG 55 3.037 10.493 -11.584 459 HH22 ARG 55 2HH2 ARG 55 2.391 11.090 -13.082 460 H VAL 56 H VAL 56 -1.117 7.469 -5.278 461 HA VAL 56 HA VAL 56 1.485 6.055 -5.185 462 HB VAL 56 HB VAL 56 -0.672 6.136 -3.001 463 HG11 VAL 56 1HG1 VAL 56 0.823 4.702 -1.653 464 HG12 VAL 56 2HG1 VAL 56 1.926 4.570 -3.025 465 HG13 VAL 56 3HG1 VAL 56 0.299 3.895 -3.133 466 HG21 VAL 56 3HG2 VAL 56 2.165 7.220 -2.911 467 HG22 VAL 56 1HG2 VAL 56 1.014 7.224 -1.569 468 HG23 VAL 56 2HG2 VAL 56 0.690 8.186 -3.015 469 H LYS 57 H LYS 57 1.283 3.880 -5.764 470 HA LYS 57 HA LYS 57 -1.405 2.838 -6.451 471 HB2 LYS 57 2HB LYS 57 1.102 2.639 -8.194 472 HB3 LYS 57 3HB LYS 57 -0.442 1.861 -8.536 473 HG2 LYS 57 2HG LYS 57 -1.506 4.123 -8.728 474 HG3 LYS 57 3HG LYS 57 0.079 4.852 -8.455 475 HD2 LYS 57 2HD LYS 57 -0.427 4.836 -10.841 476 HD3 LYS 57 3HD LYS 57 0.934 3.763 -10.506 477 HE2 LYS 57 2HE LYS 57 -0.635 2.776 -12.128 478 HE3 LYS 57 3HE LYS 57 -0.559 1.811 -10.653 479 HZ1 LYS 57 3HZ LYS 57 -2.627 2.729 -9.934 480 HZ2 LYS 57 1HZ LYS 57 -2.836 2.176 -11.516 481 HZ3 LYS 57 2HZ LYS 57 -2.667 3.829 -11.212 482 H ILE 58 H ILE 58 -1.697 1.068 -5.282 483 HA ILE 58 HA ILE 58 0.548 -0.686 -4.502 484 HB ILE 58 HB ILE 58 -2.355 -0.499 -3.560 485 HG12 ILE 58 2HG1 ILE 58 0.226 -0.019 -2.013 486 HG13 ILE 58 3HG1 ILE 58 -0.781 1.251 -2.695 487 HG21 ILE 58 1HG2 ILE 58 -1.868 -2.291 -1.915 488 HG22 ILE 58 2HG2 ILE 58 -0.301 -2.539 -2.680 489 HG23 ILE 58 3HG2 ILE 58 -1.776 -2.866 -3.582 490 HD11 ILE 58 3HD1 ILE 58 -1.163 1.057 -0.336 491 HD12 ILE 58 1HD1 ILE 58 -1.568 -0.655 -0.488 492 HD13 ILE 58 2HD1 ILE 58 -2.616 0.573 -1.209 493 H ARG 59 H ARG 59 0.894 -2.318 -5.911 494 HA ARG 59 HA ARG 59 -1.380 -3.528 -7.395 495 HB2 ARG 59 2HB ARG 59 1.577 -3.442 -8.173 496 HB3 ARG 59 3HB ARG 59 0.325 -4.315 -9.056 497 HG2 ARG 59 2HG ARG 59 -0.832 -2.147 -9.492 498 HG3 ARG 59 3HG ARG 59 0.501 -1.307 -8.695 499 HD2 ARG 59 2HD ARG 59 2.064 -2.115 -10.377 500 HD3 ARG 59 3HD ARG 59 0.799 -3.083 -11.140 501 HE ARG 59 HE ARG 59 -0.330 -0.845 -11.569 502 HH11 ARG 59 1HH1 ARG 59 3.160 -1.176 -11.411 503 HH12 ARG 59 2HH1 ARG 59 3.473 0.166 -12.458 504 HH21 ARG 59 1HH2 ARG 59 0.096 0.894 -13.041 505 HH22 ARG 59 2HH2 ARG 59 1.741 1.334 -13.380 506 H PHE 60 H PHE 60 -1.514 -5.751 -7.423 507 HA PHE 60 HA PHE 60 0.328 -7.428 -5.922 508 HB2 PHE 60 2HB PHE 60 -1.019 -6.596 -4.090 509 HB3 PHE 60 3HB PHE 60 -2.515 -6.774 -5.007 510 HD1 PHE 60 HD2 PHE 60 0.302 -8.883 -3.715 511 HD2 PHE 60 HD1 PHE 60 -3.881 -8.624 -4.517 512 HE1 PHE 60 HE2 PHE 60 -0.033 -11.099 -2.710 513 HE2 PHE 60 HE1 PHE 60 -4.219 -10.841 -3.511 514 HZ PHE 60 HZ PHE 60 -2.290 -12.081 -2.604 515 H GLU 61 H GLU 61 0.242 -9.482 -6.672 516 HA GLU 61 HA GLU 61 -1.303 -10.024 -9.073 517 HB2 GLU 61 2HB GLU 61 0.954 -11.567 -7.713 518 HB3 GLU 61 3HB GLU 61 0.202 -12.037 -9.234 519 HG2 GLU 61 2HG GLU 61 1.723 -9.463 -8.744 520 HG3 GLU 61 3HG GLU 61 2.358 -10.891 -9.569 521 H LYS 62 H LYS 62 -3.268 -10.816 -8.771 522 HA LYS 62 HA LYS 62 -3.863 -12.518 -6.483 523 HB2 LYS 62 2HB LYS 62 -5.331 -10.497 -7.296 524 HB3 LYS 62 3HB LYS 62 -5.936 -11.636 -8.493 525 HG2 LYS 62 2HG LYS 62 -6.126 -13.130 -6.176 526 HG3 LYS 62 3HG LYS 62 -6.425 -11.509 -5.565 527 HD2 LYS 62 2HD LYS 62 -8.481 -12.709 -6.083 528 HD3 LYS 62 3HD LYS 62 -8.317 -11.271 -7.099 529 HE2 LYS 62 2HE LYS 62 -7.620 -12.688 -8.986 530 HE3 LYS 62 3HE LYS 62 -7.702 -14.121 -7.952 531 HZ1 LYS 62 3HZ LYS 62 -10.069 -13.735 -7.656 532 HZ2 LYS 62 1HZ LYS 62 -9.705 -13.884 -9.300 533 HZ3 LYS 62 2HZ LYS 62 -10.006 -12.361 -8.633 534 H LYS 63 H LYS 63 -2.410 -13.259 -9.149 535 HA LYS 63 HA LYS 63 -4.083 -15.168 -10.459 536 HB2 LYS 63 2HB LYS 63 -1.061 -14.751 -10.619 537 HB3 LYS 63 3HB LYS 63 -2.004 -15.769 -11.707 538 HG2 LYS 63 2HG LYS 63 -2.272 -12.758 -11.408 539 HG3 LYS 63 3HG LYS 63 -1.501 -13.610 -12.748 540 HD2 LYS 63 2HD LYS 63 -3.704 -14.686 -13.275 541 HD3 LYS 63 3HD LYS 63 -4.450 -13.723 -11.994 542 HE2 LYS 63 2HE LYS 63 -4.843 -12.707 -14.185 543 HE3 LYS 63 3HE LYS 63 -3.820 -11.655 -13.204 544 HZ1 LYS 63 3HZ LYS 63 -3.055 -11.858 -15.513 545 HZ2 LYS 63 1HZ LYS 63 -2.830 -13.519 -15.295 546 HZ3 LYS 63 2HZ LYS 63 -1.901 -12.422 -14.417 547 H GLY 64 H GLY 64 -4.757 -16.886 -9.348 548 HA2 GLY 64 2HA GLY 64 -4.680 -19.023 -8.555 549 HA3 GLY 64 3HA GLY 64 -2.953 -19.026 -8.864 550 H LEU 65 H LEU 65 -5.310 -17.588 -6.582 551 HA LEU 65 HA LEU 65 -3.862 -18.808 -4.337 552 HB2 LEU 65 2HB LEU 65 -4.070 -16.605 -3.033 553 HB3 LEU 65 3HB LEU 65 -2.824 -16.684 -4.262 554 HG LEU 65 HG LEU 65 -4.497 -15.416 -5.808 555 HD11 LEU 65 1HD1 LEU 65 -6.533 -15.695 -4.486 556 HD12 LEU 65 2HD1 LEU 65 -6.155 -13.997 -4.722 557 HD13 LEU 65 3HD1 LEU 65 -5.826 -14.758 -3.168 558 HD21 LEU 65 3HD2 LEU 65 -3.306 -13.982 -3.422 559 HD22 LEU 65 1HD2 LEU 65 -3.824 -13.223 -4.929 560 HD23 LEU 65 2HD2 LEU 65 -2.485 -14.366 -4.938 561 H ASP 66 H ASP 66 -5.152 -18.620 -2.261 562 HA ASP 66 HA ASP 66 -7.911 -19.267 -2.546 563 HB2 ASP 66 2HB ASP 66 -6.490 -18.275 -0.028 564 HB3 ASP 66 3HB ASP 66 -7.985 -19.205 -0.093 565 H ASP 67 H ASP 67 -9.746 -17.938 -2.300 566 HA ASP 67 HA ASP 67 -9.489 -15.135 -2.675 567 HB2 ASP 67 2HB ASP 67 -11.491 -16.394 -3.411 568 HB3 ASP 67 3HB ASP 67 -11.949 -16.663 -1.729 569 H ASP 68 H ASP 68 -9.586 -17.125 0.125 570 HA ASP 68 HA ASP 68 -9.997 -15.269 2.187 571 HB2 ASP 68 2HB ASP 68 -9.947 -17.707 2.596 572 HB3 ASP 68 3HB ASP 68 -8.255 -17.793 2.114 573 H ALA 69 H ALA 69 -7.051 -16.260 0.432 574 HA ALA 69 HA ALA 69 -5.179 -14.626 1.784 575 HB1 ALA 69 3HB ALA 69 -4.486 -16.517 0.357 576 HB2 ALA 69 1HB ALA 69 -3.693 -15.018 -0.126 577 HB3 ALA 69 2HB ALA 69 -5.044 -15.649 -1.076 578 H ARG 70 H ARG 70 -7.218 -14.064 -1.085 579 HA ARG 70 HA ARG 70 -6.262 -11.470 -1.754 580 HB2 ARG 70 2HB ARG 70 -7.577 -12.963 -3.279 581 HB3 ARG 70 3HB ARG 70 -9.007 -12.703 -2.301 582 HG2 ARG 70 2HG ARG 70 -7.596 -10.405 -3.692 583 HG3 ARG 70 3HG ARG 70 -8.760 -11.415 -4.533 584 HD2 ARG 70 2HD ARG 70 -9.289 -9.612 -2.154 585 HD3 ARG 70 3HD ARG 70 -9.872 -9.414 -3.812 586 HE ARG 70 HE ARG 70 -10.723 -11.910 -2.701 587 HH11 ARG 70 1HH1 ARG 70 -11.519 -8.447 -2.667 588 HH12 ARG 70 2HH1 ARG 70 -13.176 -8.727 -2.234 589 HH21 ARG 70 1HH2 ARG 70 -12.865 -12.234 -2.111 590 HH22 ARG 70 2HH2 ARG 70 -13.936 -10.880 -1.918 591 H LYS 71 H LYS 71 -8.744 -12.621 0.466 592 HA LYS 71 HA LYS 71 -10.070 -10.116 0.889 593 HB2 LYS 71 2HB LYS 71 -11.203 -12.292 1.161 594 HB3 LYS 71 3HB LYS 71 -10.126 -12.712 2.489 595 HG2 LYS 71 2HG LYS 71 -11.073 -10.853 3.835 596 HG3 LYS 71 3HG LYS 71 -12.161 -10.453 2.498 597 HD2 LYS 71 2HD LYS 71 -13.247 -12.659 2.693 598 HD3 LYS 71 3HD LYS 71 -12.123 -13.120 3.975 599 HE2 LYS 71 2HE LYS 71 -13.024 -11.305 5.394 600 HE3 LYS 71 3HE LYS 71 -14.165 -10.880 4.115 601 HZ1 LYS 71 3HZ LYS 71 -15.198 -13.024 4.331 602 HZ2 LYS 71 1HZ LYS 71 -15.140 -12.299 5.851 603 HZ3 LYS 71 2HZ LYS 71 -14.047 -13.528 5.465 604 H LYS 72 H LYS 72 -7.614 -11.954 2.657 605 HA LYS 72 HA LYS 72 -7.341 -10.029 4.787 606 HB2 LYS 72 2HB LYS 72 -5.485 -11.413 5.568 607 HB3 LYS 72 3HB LYS 72 -6.884 -12.408 5.189 608 HG2 LYS 72 2HG LYS 72 -5.846 -13.073 3.065 609 HG3 LYS 72 3HG LYS 72 -4.450 -12.065 3.416 610 HD2 LYS 72 2HD LYS 72 -5.320 -14.539 4.963 611 HD3 LYS 72 3HD LYS 72 -3.968 -14.427 3.838 612 HE2 LYS 72 2HE LYS 72 -2.903 -14.266 5.908 613 HE3 LYS 72 3HE LYS 72 -3.080 -12.569 5.464 614 HZ1 LYS 72 3HZ LYS 72 -4.968 -14.042 7.235 615 HZ2 LYS 72 1HZ LYS 72 -4.968 -12.380 6.918 616 HZ3 LYS 72 2HZ LYS 72 -3.706 -13.074 7.796 617 H ALA 73 H ALA 73 -5.764 -10.614 1.680 618 HA ALA 73 HA ALA 73 -3.686 -8.642 1.933 619 HB1 ALA 73 3HB ALA 73 -3.549 -10.422 0.229 620 HB2 ALA 73 1HB ALA 73 -3.459 -8.827 -0.515 621 HB3 ALA 73 2HB ALA 73 -4.957 -9.761 -0.602 622 H LYS 74 H LYS 74 -7.052 -8.612 1.043 623 HA LYS 74 HA LYS 74 -7.262 -5.976 -0.002 624 HB2 LYS 74 2HB LYS 74 -9.044 -7.609 -0.384 625 HB3 LYS 74 3HB LYS 74 -9.303 -7.797 1.344 626 HG2 LYS 74 2HG LYS 74 -10.090 -5.409 1.432 627 HG3 LYS 74 3HG LYS 74 -9.949 -5.346 -0.330 628 HD2 LYS 74 2HD LYS 74 -11.626 -7.135 -0.560 629 HD3 LYS 74 3HD LYS 74 -11.706 -7.312 1.197 630 HE2 LYS 74 2HE LYS 74 -13.630 -6.044 0.410 631 HE3 LYS 74 3HE LYS 74 -12.579 -4.988 1.360 632 HZ1 LYS 74 3HZ LYS 74 -11.712 -4.045 -0.656 633 HZ2 LYS 74 1HZ LYS 74 -13.398 -3.955 -0.696 634 HZ3 LYS 74 2HZ LYS 74 -12.593 -5.128 -1.607 635 H LYS 75 H LYS 75 -7.921 -7.363 3.210 636 HA LYS 75 HA LYS 75 -8.390 -5.059 4.691 637 HB2 LYS 75 2HB LYS 75 -8.819 -7.284 5.600 638 HB3 LYS 75 3HB LYS 75 -7.113 -7.707 5.498 639 HG2 LYS 75 2HG LYS 75 -6.604 -5.986 7.226 640 HG3 LYS 75 3HG LYS 75 -8.330 -5.629 7.359 641 HD2 LYS 75 2HD LYS 75 -8.778 -7.896 8.186 642 HD3 LYS 75 3HD LYS 75 -7.098 -8.364 7.898 643 HE2 LYS 75 2HE LYS 75 -7.999 -6.260 9.898 644 HE3 LYS 75 3HE LYS 75 -7.542 -7.917 10.290 645 HZ1 LYS 75 3HZ LYS 75 -5.723 -6.343 10.646 646 HZ2 LYS 75 1HZ LYS 75 -5.754 -5.917 9.012 647 HZ3 LYS 75 2HZ LYS 75 -5.323 -7.481 9.465 648 H TRP 76 H TRP 76 -5.346 -6.738 4.019 649 HA TRP 76 HA TRP 76 -3.544 -5.210 5.507 650 HB2 TRP 76 2HB TRP 76 -2.924 -7.385 4.583 651 HB3 TRP 76 3HB TRP 76 -3.164 -6.812 2.936 652 HD1 TRP 76 HD1 TRP 76 -0.740 -6.311 5.917 653 HE1 TRP 76 HE1 TRP 76 1.521 -5.554 4.991 654 HE3 TRP 76 HE3 TRP 76 -1.956 -5.815 0.971 655 HZ2 TRP 76 HZ2 TRP 76 2.679 -4.855 2.545 656 HZ3 TRP 76 HZ3 TRP 76 -0.200 -5.094 -0.604 657 HH2 TRP 76 HH2 TRP 76 2.072 -4.623 0.175 658 H ALA 77 H ALA 77 -4.397 -4.935 2.039 659 HA ALA 77 HA ALA 77 -2.658 -2.757 1.459 660 HB1 ALA 77 3HB ALA 77 -3.418 -4.364 -0.248 661 HB2 ALA 77 1HB ALA 77 -3.781 -2.702 -0.716 662 HB3 ALA 77 2HB ALA 77 -5.067 -3.746 -0.102 663 H LEU 78 H LEU 78 -6.049 -2.936 2.446 664 HA LEU 78 HA LEU 78 -6.709 -0.192 2.173 665 HB2 LEU 78 2HB LEU 78 -7.783 -2.383 3.988 666 HB3 LEU 78 3HB LEU 78 -8.415 -0.746 4.065 667 HG LEU 78 HG LEU 78 -8.499 -2.524 1.595 668 HD11 LEU 78 1HD1 LEU 78 -10.901 -2.729 2.014 669 HD12 LEU 78 2HD1 LEU 78 -10.736 -1.797 3.507 670 HD13 LEU 78 3HD1 LEU 78 -9.962 -3.378 3.358 671 HD21 LEU 78 3HD2 LEU 78 -9.736 0.203 2.084 672 HD22 LEU 78 1HD2 LEU 78 -9.987 -0.809 0.658 673 HD23 LEU 78 2HD2 LEU 78 -8.386 -0.161 1.003 674 H GLU 79 H GLU 79 -5.385 -2.082 4.906 675 HA GLU 79 HA GLU 79 -5.181 0.038 6.772 676 HB2 GLU 79 2HB GLU 79 -3.636 -2.587 6.606 677 HB3 GLU 79 3HB GLU 79 -3.527 -1.470 7.963 678 HG2 GLU 79 2HG GLU 79 -5.874 -1.775 8.489 679 HG3 GLU 79 3HG GLU 79 -6.102 -2.788 7.063 680 H VAL 80 H VAL 80 -2.917 -1.148 4.303 681 HA VAL 80 HA VAL 80 -0.697 0.510 4.928 682 HB VAL 80 HB VAL 80 -1.522 -0.660 2.213 683 HG11 VAL 80 1HG1 VAL 80 1.165 0.536 3.014 684 HG12 VAL 80 2HG1 VAL 80 0.024 1.225 1.856 685 HG13 VAL 80 3HG1 VAL 80 0.830 -0.303 1.496 686 HG21 VAL 80 3HG2 VAL 80 0.494 -1.691 4.237 687 HG22 VAL 80 1HG2 VAL 80 0.162 -2.414 2.660 688 HG23 VAL 80 2HG2 VAL 80 -1.086 -2.394 3.907 689 H ALA 81 H ALA 81 -3.421 0.886 2.658 690 HA ALA 81 HA ALA 81 -2.819 3.373 1.526 691 HB1 ALA 81 3HB ALA 81 -4.538 1.831 0.659 692 HB2 ALA 81 1HB ALA 81 -5.208 3.446 0.910 693 HB3 ALA 81 2HB ALA 81 -5.551 2.157 2.066 694 H ASN 82 H ASN 82 -4.672 2.602 4.454 695 HA ASN 82 HA ASN 82 -5.279 5.321 5.152 696 HB2 ASN 82 2HB ASN 82 -5.515 2.724 6.739 697 HB3 ASN 82 3HB ASN 82 -5.956 4.290 7.408 698 HD21 ASN 82 1HD2 ASN 82 -7.029 1.660 5.512 699 HD22 ASN 82 2HD2 ASN 82 -8.542 2.324 5.029 700 H LYS 83 H LYS 83 -2.596 3.123 5.848 701 HA LYS 83 HA LYS 83 -1.510 4.685 8.009 702 HB2 LYS 83 2HB LYS 83 -0.421 2.400 6.357 703 HB3 LYS 83 3HB LYS 83 0.697 3.335 7.332 704 HG2 LYS 83 2HG LYS 83 -1.752 2.013 8.543 705 HG3 LYS 83 3HG LYS 83 -0.227 1.157 8.330 706 HD2 LYS 83 2HD LYS 83 -0.179 1.915 10.577 707 HD3 LYS 83 3HD LYS 83 0.873 3.030 9.712 708 HE2 LYS 83 2HE LYS 83 -1.062 4.652 9.635 709 HE3 LYS 83 3HE LYS 83 -1.968 3.536 10.654 710 HZ1 LYS 83 3HZ LYS 83 -0.899 5.329 11.921 711 HZ2 LYS 83 1HZ LYS 83 0.621 4.794 11.404 712 HZ3 LYS 83 2HZ LYS 83 -0.336 3.803 12.383 713 H ILE 84 H ILE 84 -1.149 4.776 4.534 714 HA ILE 84 HA ILE 84 0.896 6.806 4.543 715 HB ILE 84 HB ILE 84 -0.857 5.557 2.400 716 HG12 ILE 84 2HG1 ILE 84 1.371 5.069 1.326 717 HG13 ILE 84 3HG1 ILE 84 2.161 5.852 2.682 718 HG21 ILE 84 1HG2 ILE 84 0.843 8.025 1.925 719 HG22 ILE 84 2HG2 ILE 84 -0.912 7.915 1.784 720 HG23 ILE 84 3HG2 ILE 84 0.118 7.034 0.656 721 HD11 ILE 84 3HD1 ILE 84 2.312 3.462 2.872 722 HD12 ILE 84 1HD1 ILE 84 0.559 3.310 2.761 723 HD13 ILE 84 2HD1 ILE 84 1.287 4.089 4.166 724 H ALA 85 H ALA 85 -2.676 6.792 4.137 725 HA ALA 85 HA ALA 85 -2.882 9.592 3.539 726 HB1 ALA 85 3HB ALA 85 -5.287 9.171 3.490 727 HB2 ALA 85 1HB ALA 85 -5.042 7.588 4.239 728 HB3 ALA 85 2HB ALA 85 -4.413 7.908 2.621 729 H ASN 86 H ASN 86 -3.863 7.691 6.431 730 HA ASN 86 HA ASN 86 -5.344 9.708 7.724 731 HB2 ASN 86 2HB ASN 86 -5.696 7.352 8.228 732 HB3 ASN 86 3HB ASN 86 -4.053 7.181 8.833 733 HD21 ASN 86 1HD2 ASN 86 -3.602 7.831 10.963 734 HD22 ASN 86 2HD2 ASN 86 -4.831 8.314 12.073 735 H GLU 87 H GLU 87 -1.916 8.845 8.031 736 HA GLU 87 HA GLU 87 -1.356 10.261 10.430 737 HB2 GLU 87 2HB GLU 87 0.635 9.647 8.213 738 HB3 GLU 87 3HB GLU 87 0.999 9.923 9.912 739 HG2 GLU 87 2HG GLU 87 -0.418 7.538 8.700 740 HG3 GLU 87 3HG GLU 87 1.194 7.564 9.397 741 H LEU 88 H LEU 88 -1.423 11.194 7.050 742 HA LEU 88 HA LEU 88 -0.415 13.916 7.596 743 HB2 LEU 88 2HB LEU 88 -0.853 12.414 4.971 744 HB3 LEU 88 3HB LEU 88 -0.315 14.078 5.075 745 HG LEU 88 HG LEU 88 1.618 12.793 4.609 746 HD11 LEU 88 1HD1 LEU 88 1.735 13.394 7.558 747 HD12 LEU 88 2HD1 LEU 88 2.003 14.536 6.236 748 HD13 LEU 88 3HD1 LEU 88 3.106 13.183 6.462 749 HD21 LEU 88 3HD2 LEU 88 2.432 10.869 5.908 750 HD22 LEU 88 1HD2 LEU 88 0.878 10.559 5.140 751 HD23 LEU 88 2HD2 LEU 88 0.949 10.897 6.868 752 H GLY 89 H GLY 89 -3.302 12.596 7.932 753 HA2 GLY 89 2HA GLY 89 -5.458 13.406 7.884 754 HA3 GLY 89 3HA GLY 89 -4.869 14.895 7.149 755 H ALA 90 H ALA 90 -4.485 14.934 4.877 756 HA ALA 90 HA ALA 90 -4.620 14.439 2.678 757 HB1 ALA 90 3HB ALA 90 -3.926 12.193 2.031 758 HB2 ALA 90 1HB ALA 90 -4.322 11.585 3.641 759 HB3 ALA 90 2HB ALA 90 -2.997 12.732 3.432 760 H LYS 91 H LYS 91 -5.728 11.995 1.427 761 HA LYS 91 HA LYS 91 -8.632 12.262 1.935 762 HB2 LYS 91 2HB LYS 91 -7.230 12.118 -0.787 763 HB3 LYS 91 3HB LYS 91 -8.971 11.969 -0.556 764 HG2 LYS 91 2HG LYS 91 -8.960 14.286 0.455 765 HG3 LYS 91 3HG LYS 91 -7.263 14.422 -0.023 766 HD2 LYS 91 2HD LYS 91 -7.892 14.172 -2.404 767 HD3 LYS 91 3HD LYS 91 -9.583 13.929 -1.953 768 HE2 LYS 91 2HE LYS 91 -9.576 16.235 -0.953 769 HE3 LYS 91 3HE LYS 91 -7.945 16.450 -1.591 770 HZ1 LYS 91 3HZ LYS 91 -8.806 16.172 -3.818 771 HZ2 LYS 91 1HZ LYS 91 -9.626 17.422 -3.044 772 HZ3 LYS 91 2HZ LYS 91 -10.363 15.912 -3.231 773 H GLN 92 H GLN 92 -9.583 10.265 0.325 774 HA GLN 92 HA GLN 92 -8.396 7.877 1.569 775 HB2 GLN 92 2HB GLN 92 -10.876 8.608 1.916 776 HB3 GLN 92 3HB GLN 92 -11.145 8.011 0.283 777 HG2 GLN 92 2HG GLN 92 -11.771 6.339 1.980 778 HG3 GLN 92 3HG GLN 92 -10.443 5.761 0.974 779 HE21 GLN 92 1HE2 GLN 92 -8.331 5.599 1.923 780 HE22 GLN 92 2HE2 GLN 92 -8.108 5.608 3.633 781 H SER 93 H SER 93 -8.894 5.812 0.157 782 HA SER 93 HA SER 93 -7.522 6.200 -2.429 783 HB2 SER 93 2HB SER 93 -6.520 3.929 -1.881 784 HB3 SER 93 3HB SER 93 -6.078 5.195 -0.735 785 HG SER 93 HG SER 93 -7.930 3.090 -0.404 786 H THR 94 H THR 94 -8.218 5.024 -4.183 787 HA THR 94 HA THR 94 -10.776 3.558 -3.998 788 HB THR 94 HB THR 94 -10.675 5.303 -5.729 789 HG1 THR 94 HG1 THR 94 -11.869 3.381 -6.163 790 HG21 THR 94 3HG2 THR 94 -8.247 5.322 -6.228 791 HG22 THR 94 1HG2 THR 94 -9.205 5.136 -7.704 792 HG23 THR 94 2HG2 THR 94 -8.394 3.740 -6.996 793 H THR 95 H THR 95 -10.951 1.404 -4.809 794 HA THR 95 HA THR 95 -8.406 -0.143 -4.811 795 HB THR 95 HB THR 95 -9.578 -1.928 -3.513 796 HG1 THR 95 HG1 THR 95 -11.772 -0.472 -4.122 797 HG21 THR 95 3HG2 THR 95 -8.303 -0.222 -2.252 798 HG22 THR 95 1HG2 THR 95 -9.707 -0.767 -1.332 799 HG23 THR 95 2HG2 THR 95 -9.744 0.791 -2.160 800 H THR 96 H THR 96 -8.167 -0.986 -6.820 801 HA THR 96 HA THR 96 -10.364 -1.983 -8.435 802 HB THR 96 HB THR 96 -7.339 -2.291 -8.823 803 HG1 THR 96 HG1 THR 96 -8.770 -0.501 -10.409 804 HG21 THR 96 3HG2 THR 96 -8.616 -3.933 -10.171 805 HG22 THR 96 1HG2 THR 96 -7.857 -2.706 -11.198 806 HG23 THR 96 2HG2 THR 96 -9.582 -2.621 -10.852 807 H THR 97 H THR 97 -11.281 -3.894 -7.869 808 HA THR 97 HA THR 97 -9.684 -6.138 -6.844 809 HB THR 97 HB THR 97 -10.345 -5.078 -4.793 810 HG1 THR 97 HG1 THR 97 -12.305 -7.112 -5.072 811 HG21 THR 97 3HG2 THR 97 -12.664 -4.524 -4.182 812 HG22 THR 97 1HG2 THR 97 -13.212 -5.001 -5.793 813 HG23 THR 97 2HG2 THR 97 -12.142 -3.608 -5.597 814 H ASP 98 H ASP 98 -10.154 -7.848 -8.078 815 HA ASP 98 HA ASP 98 -12.769 -8.760 -8.682 816 HB2 ASP 98 2HB ASP 98 -12.708 -6.816 -10.246 817 HB3 ASP 98 3HB ASP 98 -11.259 -7.464 -10.997 818 H GLY 99 H GLY 99 -9.879 -8.869 -10.823 819 HA2 GLY 99 2HA GLY 99 -9.494 -11.738 -10.221 820 HA3 GLY 99 3HA GLY 99 -9.928 -11.266 -11.858 821 H ASP 100 H ASP 100 -8.424 -10.000 -13.115 822 HA ASP 100 HA ASP 100 -5.701 -10.765 -12.658 823 HB2 ASP 100 2HB ASP 100 -5.190 -9.603 -14.780 824 HB3 ASP 100 3HB ASP 100 -6.564 -10.681 -14.956 825 H THR 101 H THR 101 -4.658 -9.848 -11.037 826 HA THR 101 HA THR 101 -3.498 -8.441 -9.770 827 HB THR 101 HB THR 101 -4.017 -6.222 -11.788 828 HG1 THR 101 HG1 THR 101 -2.939 -7.580 -13.029 829 HG21 THR 101 3HG2 THR 101 -1.891 -5.278 -10.941 830 HG22 THR 101 1HG2 THR 101 -1.741 -6.609 -9.789 831 HG23 THR 101 2HG2 THR 101 -3.051 -5.438 -9.619 832 H PHE 102 H PHE 102 -4.402 -8.069 -7.882 833 HA PHE 102 HA PHE 102 -6.671 -6.290 -7.487 834 HB2 PHE 102 2HB PHE 102 -6.574 -8.250 -6.042 835 HB3 PHE 102 3HB PHE 102 -4.918 -7.895 -5.574 836 HD1 PHE 102 HD2 PHE 102 -8.418 -6.577 -5.332 837 HD2 PHE 102 HD1 PHE 102 -4.479 -6.591 -3.635 838 HE1 PHE 102 HE2 PHE 102 -9.218 -5.280 -3.393 839 HE2 PHE 102 HE1 PHE 102 -5.298 -5.295 -1.715 840 HZ PHE 102 HZ PHE 102 -7.667 -4.634 -1.597 841 H GLU 103 H GLU 103 -6.349 -4.143 -7.393 842 HA GLU 103 HA GLU 103 -3.769 -3.030 -6.465 843 HB2 GLU 103 2HB GLU 103 -5.599 -1.838 -8.595 844 HB3 GLU 103 3HB GLU 103 -4.093 -1.138 -8.012 845 HG2 GLU 103 2HG GLU 103 -2.865 -3.103 -8.905 846 HG3 GLU 103 3HG GLU 103 -4.376 -3.724 -9.569 847 H VAL 104 H VAL 104 -3.823 -1.156 -5.248 848 HA VAL 104 HA VAL 104 -6.401 0.163 -4.627 849 HB VAL 104 HB VAL 104 -4.140 -0.351 -2.604 850 HG11 VAL 104 1HG1 VAL 104 -5.623 0.767 -0.946 851 HG12 VAL 104 2HG1 VAL 104 -6.775 1.128 -2.234 852 HG13 VAL 104 3HG1 VAL 104 -5.167 1.854 -2.262 853 HG21 VAL 104 3HG2 VAL 104 -5.452 -2.393 -2.945 854 HG22 VAL 104 1HG2 VAL 104 -6.951 -1.506 -2.657 855 HG23 VAL 104 2HG2 VAL 104 -5.787 -1.718 -1.347 856 H GLU 105 H GLU 105 -6.102 2.054 -5.781 857 HA GLU 105 HA GLU 105 -3.463 3.356 -5.826 858 HB2 GLU 105 2HB GLU 105 -4.715 3.087 -7.972 859 HB3 GLU 105 3HB GLU 105 -6.008 4.103 -7.342 860 HG2 GLU 105 2HG GLU 105 -4.470 6.018 -7.209 861 HG3 GLU 105 3HG GLU 105 -3.128 4.999 -7.727 862 H VAL 106 H VAL 106 -3.040 4.750 -4.286 863 HA VAL 106 HA VAL 106 -5.148 6.076 -2.721 864 HB VAL 106 HB VAL 106 -2.146 6.069 -2.126 865 HG11 VAL 106 1HG1 VAL 106 -2.844 6.429 0.213 866 HG12 VAL 106 2HG1 VAL 106 -4.537 6.416 -0.286 867 HG13 VAL 106 3HG1 VAL 106 -3.462 7.697 -0.851 868 HG21 VAL 106 3HG2 VAL 106 -2.446 4.098 -0.672 869 HG22 VAL 106 1HG2 VAL 106 -2.800 3.713 -2.360 870 HG23 VAL 106 2HG2 VAL 106 -4.119 3.945 -1.213 871 H ILE 107 H ILE 107 -5.726 7.956 -3.724 872 HA ILE 107 HA ILE 107 -3.682 9.693 -4.968 873 HB ILE 107 HB ILE 107 -6.724 9.710 -5.243 874 HG12 ILE 107 2HG1 ILE 107 -5.616 7.832 -6.441 875 HG13 ILE 107 3HG1 ILE 107 -6.333 8.975 -7.569 876 HG21 ILE 107 1HG2 ILE 107 -6.416 11.455 -6.985 877 HG22 ILE 107 2HG2 ILE 107 -4.694 11.527 -6.598 878 HG23 ILE 107 3HG2 ILE 107 -5.891 12.012 -5.394 879 HD11 ILE 107 3HD1 ILE 107 -4.190 8.205 -8.360 880 HD12 ILE 107 1HD1 ILE 107 -3.402 8.744 -6.880 881 HD13 ILE 107 2HD1 ILE 107 -4.095 9.927 -7.994 882 H LEU 108 H LEU 108 -2.825 10.928 -3.387 883 HA LEU 108 HA LEU 108 -4.636 12.325 -1.488 884 HB2 LEU 108 2HB LEU 108 -1.605 12.078 -1.327 885 HB3 LEU 108 3HB LEU 108 -2.692 12.669 -0.081 886 HG LEU 108 HG LEU 108 -2.389 9.796 -1.026 887 HD11 LEU 108 1HD1 LEU 108 -1.630 9.386 1.277 888 HD12 LEU 108 2HD1 LEU 108 -1.715 11.117 1.615 889 HD13 LEU 108 3HD1 LEU 108 -0.585 10.501 0.402 890 HD21 LEU 108 3HD2 LEU 108 -4.739 10.156 -0.572 891 HD22 LEU 108 1HD2 LEU 108 -4.374 10.903 0.985 892 HD23 LEU 108 2HD2 LEU 108 -4.036 9.190 0.721 893 H GLU 109 H GLU 109 -5.289 14.131 -2.640 894 HA GLU 109 HA GLU 109 -3.465 15.663 -4.280 895 HB2 GLU 109 2HB GLU 109 -6.300 16.263 -3.322 896 HB3 GLU 109 3HB GLU 109 -5.415 17.247 -4.489 897 HG2 GLU 109 2HG GLU 109 -5.376 15.415 -6.095 898 HG3 GLU 109 3HG GLU 109 -6.066 14.309 -4.910 899 H LEU 110 H LEU 110 -1.846 15.979 -2.720 900 HA LEU 110 HA LEU 110 -2.216 18.296 -0.908 901 HB2 LEU 110 2HB LEU 110 -0.524 15.792 -0.468 902 HB3 LEU 110 3HB LEU 110 -0.160 17.300 0.349 903 HG LEU 110 HG LEU 110 -2.445 17.204 1.431 904 HD11 LEU 110 1HD1 LEU 110 -3.687 15.117 1.469 905 HD12 LEU 110 2HD1 LEU 110 -2.567 14.410 0.304 906 HD13 LEU 110 3HD1 LEU 110 -3.591 15.766 -0.161 907 HD21 LEU 110 3HD2 LEU 110 -0.615 14.861 2.024 908 HD22 LEU 110 1HD2 LEU 110 -1.837 15.525 3.114 909 HD23 LEU 110 2HD2 LEU 110 -0.442 16.501 2.655 910 H GLU 111 H GLU 111 -1.305 19.914 -1.960 911 HA GLU 111 HA GLU 111 0.892 19.710 -3.771 912 HB2 GLU 111 2HB GLU 111 -0.213 22.142 -2.296 913 HB3 GLU 111 3HB GLU 111 0.938 22.200 -3.634 914 HG2 GLU 111 2HG GLU 111 -0.762 21.184 -5.130 915 HG3 GLU 111 3HG GLU 111 -1.907 21.148 -3.789 916 H HIS 112 H HIS 112 0.511 20.770 -0.424 917 HA HIS 112 HA HIS 112 3.108 19.746 0.321 918 HB2 HIS 112 2HB HIS 112 3.820 21.869 1.452 919 HB3 HIS 112 3HB HIS 112 3.772 22.012 -0.300 920 HD1 HIS 112 HD1 HIS 112 2.077 23.647 -1.326 921 HD2 HIS 112 HD2 HIS 112 1.886 23.466 2.825 922 HE1 HIS 112 HE1 HIS 112 0.678 25.603 -0.621 923 HE2 HIS 112 HE2 HIS 112 0.491 25.407 1.878 924 H HIS 113 H HIS 113 3.384 19.868 2.682 925 HA HIS 113 HA HIS 113 0.974 20.068 4.332 926 HB2 HIS 113 2HB HIS 113 1.005 17.705 3.430 927 HB3 HIS 113 3HB HIS 113 2.602 17.471 4.130 928 HD1 HIS 113 HD1 HIS 113 2.719 16.975 6.659 929 HD2 HIS 113 HD2 HIS 113 -1.116 17.813 5.313 930 HE1 HIS 113 HE1 HIS 113 1.199 16.501 8.594 931 HE2 HIS 113 HE2 HIS 113 -1.084 17.179 7.798 932 H HIS 114 H HIS 114 1.563 20.057 6.663 933 HA HIS 114 HA HIS 114 4.049 21.273 7.295 934 HB2 HIS 114 2HB HIS 114 1.947 19.960 9.086 935 HB3 HIS 114 3HB HIS 114 3.363 20.801 9.712 936 HD1 HIS 114 HD1 HIS 114 1.021 22.040 10.751 937 HD2 HIS 114 HD2 HIS 114 2.267 22.960 6.897 938 HE1 HIS 114 HE1 HIS 114 -0.015 24.259 10.214 939 HE2 HIS 114 HE2 HIS 114 0.926 24.876 7.965 940 H HIS 115 H HIS 115 5.802 20.142 6.722 941 HA HIS 115 HA HIS 115 6.006 17.253 7.004 942 HB2 HIS 115 2HB HIS 115 7.956 19.278 5.817 943 HB3 HIS 115 3HB HIS 115 8.111 17.524 5.705 944 HD1 HIS 115 HD1 HIS 115 7.538 19.884 3.431 945 HD2 HIS 115 HD2 HIS 115 5.073 16.790 4.686 946 HE1 HIS 115 HE1 HIS 115 5.949 19.482 1.537 947 HE2 HIS 115 HE2 HIS 115 4.658 17.442 2.229 948 H HIS 116 H HIS 116 7.305 16.170 8.362 949 HA HIS 116 HA HIS 116 9.270 17.592 10.043 950 HB2 HIS 116 2HB HIS 116 7.115 17.296 11.337 951 HB3 HIS 116 3HB HIS 116 7.259 15.553 11.134 952 HD1 HIS 116 HD1 HIS 116 9.386 14.429 12.332 953 HD2 HIS 116 HD2 HIS 116 8.558 18.346 13.461 954 HE1 HIS 116 HE1 HIS 116 10.686 14.816 14.443 955 HE2 HIS 116 HE2 HIS 116 10.153 17.173 15.116 956 H HIS 117 H HIS 117 11.127 16.392 10.449 957 HA HIS 117 HA HIS 117 11.437 13.838 9.053 958 HB2 HIS 117 2HB HIS 117 13.880 14.077 9.735 959 HB3 HIS 117 3HB HIS 117 13.263 15.307 8.647 960 HD1 HIS 117 HD1 HIS 117 14.021 14.905 12.370 961 HD2 HIS 117 HD2 HIS 117 13.813 17.855 9.459 962 HE1 HIS 117 HE1 HIS 117 14.878 16.984 13.460 963 HE2 HIS 117 HE2 HIS 117 14.692 18.765 11.696 Start of MODEL 11 1 H1 MET 1 1H MET 1 8.487 -16.642 -8.144 2 H2 MET 1 2H MET 1 7.970 -16.240 -9.702 3 H3 MET 1 3H MET 1 8.536 -15.037 -8.669 4 HA MET 1 HA MET 1 10.132 -15.665 -10.381 5 HB2 MET 1 2HB MET 1 10.882 -14.689 -8.227 6 HB3 MET 1 3HB MET 1 10.944 -16.289 -7.509 7 HG2 MET 1 2HG MET 1 12.762 -16.905 -9.067 8 HG3 MET 1 3HG MET 1 12.711 -15.278 -9.748 9 HE1 MET 1 3HE MET 1 13.829 -13.107 -6.637 10 HE2 MET 1 1HE MET 1 12.164 -13.522 -7.049 11 HE3 MET 1 2HE MET 1 13.302 -13.066 -8.318 12 H ALA 2 H ALA 2 10.217 -18.198 -7.851 13 HA ALA 2 HA ALA 2 11.066 -20.208 -9.824 14 HB1 ALA 2 3HB ALA 2 10.974 -20.316 -6.785 15 HB2 ALA 2 1HB ALA 2 12.394 -19.958 -7.773 16 HB3 ALA 2 2HB ALA 2 11.648 -21.554 -7.850 17 H GLY 3 H GLY 3 8.662 -19.802 -7.207 18 HA2 GLY 3 2HA GLY 3 6.911 -21.856 -8.478 19 HA3 GLY 3 3HA GLY 3 7.113 -21.706 -6.736 20 H LYS 4 H LYS 4 4.677 -21.576 -6.919 21 HA LYS 4 HA LYS 4 3.479 -19.187 -7.904 22 HB2 LYS 4 2HB LYS 4 2.167 -21.260 -7.565 23 HB3 LYS 4 3HB LYS 4 2.387 -21.121 -5.820 24 HG2 LYS 4 2HG LYS 4 1.213 -18.878 -5.933 25 HG3 LYS 4 3HG LYS 4 0.882 -19.204 -7.636 26 HD2 LYS 4 2HD LYS 4 -1.086 -19.765 -6.329 27 HD3 LYS 4 3HD LYS 4 -0.383 -21.256 -6.964 28 HE2 LYS 4 2HE LYS 4 0.646 -21.724 -4.786 29 HE3 LYS 4 3HE LYS 4 0.052 -20.187 -4.154 30 HZ1 LYS 4 3HZ LYS 4 -2.204 -20.970 -4.449 31 HZ2 LYS 4 1HZ LYS 4 -1.332 -22.034 -3.465 32 HZ3 LYS 4 2HZ LYS 4 -1.649 -22.437 -5.074 33 H GLU 5 H GLU 5 3.720 -17.236 -7.077 34 HA GLU 5 HA GLU 5 4.283 -16.835 -4.202 35 HB2 GLU 5 2HB GLU 5 5.797 -15.763 -6.610 36 HB3 GLU 5 3HB GLU 5 5.931 -15.015 -5.018 37 HG2 GLU 5 2HG GLU 5 6.988 -16.916 -4.080 38 HG3 GLU 5 3HG GLU 5 6.466 -17.964 -5.396 39 H LEU 6 H LEU 6 3.509 -14.973 -3.317 40 HA LEU 6 HA LEU 6 1.286 -13.695 -4.636 41 HB2 LEU 6 2HB LEU 6 2.483 -13.252 -1.868 42 HB3 LEU 6 3HB LEU 6 1.020 -12.486 -2.465 43 HG LEU 6 HG LEU 6 0.082 -14.902 -2.758 44 HD11 LEU 6 1HD1 LEU 6 2.330 -15.580 -0.848 45 HD12 LEU 6 2HD1 LEU 6 2.162 -16.156 -2.509 46 HD13 LEU 6 3HD1 LEU 6 0.983 -16.638 -1.291 47 HD21 LEU 6 3HD2 LEU 6 -0.747 -13.352 -1.078 48 HD22 LEU 6 1HD2 LEU 6 0.534 -13.833 0.032 49 HD23 LEU 6 2HD2 LEU 6 -0.706 -14.996 -0.444 50 H ARG 7 H ARG 7 1.896 -12.386 -6.192 51 HA ARG 7 HA ARG 7 4.364 -10.865 -6.144 52 HB2 ARG 7 2HB ARG 7 2.204 -11.061 -8.294 53 HB3 ARG 7 3HB ARG 7 3.791 -10.319 -8.501 54 HG2 ARG 7 2HG ARG 7 4.890 -12.476 -8.196 55 HG3 ARG 7 3HG ARG 7 3.341 -13.256 -7.851 56 HD2 ARG 7 2HD ARG 7 2.575 -12.688 -10.154 57 HD3 ARG 7 3HD ARG 7 4.149 -11.959 -10.480 58 HE ARG 7 HE ARG 7 5.062 -14.043 -10.730 59 HH11 ARG 7 1HH1 ARG 7 1.820 -14.469 -9.399 60 HH12 ARG 7 2HH1 ARG 7 1.835 -16.186 -9.649 61 HH21 ARG 7 1HH2 ARG 7 5.057 -16.269 -11.024 62 HH22 ARG 7 2HH2 ARG 7 3.671 -17.203 -10.568 63 H VAL 8 H VAL 8 4.442 -8.888 -5.262 64 HA VAL 8 HA VAL 8 2.158 -7.050 -5.667 65 HB VAL 8 HB VAL 8 2.149 -6.220 -3.531 66 HG11 VAL 8 1HG1 VAL 8 3.396 -8.918 -2.934 67 HG12 VAL 8 2HG1 VAL 8 1.685 -8.593 -3.222 68 HG13 VAL 8 3HG1 VAL 8 2.477 -7.928 -1.793 69 HG21 VAL 8 3HG2 VAL 8 4.409 -5.278 -3.499 70 HG22 VAL 8 1HG2 VAL 8 5.091 -6.859 -3.108 71 HG23 VAL 8 2HG2 VAL 8 4.038 -6.036 -1.952 72 H GLU 9 H GLU 9 2.664 -5.202 -6.668 73 HA GLU 9 HA GLU 9 5.429 -4.143 -6.561 74 HB2 GLU 9 2HB GLU 9 3.263 -3.713 -8.674 75 HB3 GLU 9 3HB GLU 9 4.799 -2.842 -8.635 76 HG2 GLU 9 2HG GLU 9 6.024 -4.932 -8.975 77 HG3 GLU 9 3HG GLU 9 4.515 -5.846 -8.925 78 H ILE 10 H ILE 10 5.298 -2.766 -4.779 79 HA ILE 10 HA ILE 10 2.938 -1.057 -4.438 80 HB ILE 10 HB ILE 10 5.525 -1.165 -2.811 81 HG12 ILE 10 2HG1 ILE 10 4.275 -3.300 -2.630 82 HG13 ILE 10 3HG1 ILE 10 4.246 -2.429 -1.102 83 HG21 ILE 10 1HG2 ILE 10 4.322 0.138 -1.103 84 HG22 ILE 10 2HG2 ILE 10 2.905 0.225 -2.149 85 HG23 ILE 10 3HG2 ILE 10 4.405 1.022 -2.628 86 HD11 ILE 10 3HD1 ILE 10 1.948 -1.697 -1.586 87 HD12 ILE 10 1HD1 ILE 10 2.116 -3.452 -1.568 88 HD13 ILE 10 2HD1 ILE 10 1.998 -2.600 -3.105 89 H LYS 11 H LYS 11 2.885 0.725 -5.671 90 HA LYS 11 HA LYS 11 5.381 1.802 -6.815 91 HB2 LYS 11 2HB LYS 11 3.359 0.902 -8.227 92 HB3 LYS 11 3HB LYS 11 2.545 2.383 -7.765 93 HG2 LYS 11 2HG LYS 11 5.111 2.170 -9.364 94 HG3 LYS 11 3HG LYS 11 3.513 2.525 -10.014 95 HD2 LYS 11 2HD LYS 11 3.514 4.622 -8.586 96 HD3 LYS 11 3HD LYS 11 5.203 4.276 -8.197 97 HE2 LYS 11 2HE LYS 11 4.012 4.960 -10.893 98 HE3 LYS 11 3HE LYS 11 5.228 5.855 -9.982 99 HZ1 LYS 11 3HZ LYS 11 6.762 3.965 -10.347 100 HZ2 LYS 11 1HZ LYS 11 6.251 4.677 -11.794 101 HZ3 LYS 11 2HZ LYS 11 5.588 3.210 -11.299 102 H ILE 12 H ILE 12 6.099 3.514 -5.587 103 HA ILE 12 HA ILE 12 4.177 5.486 -4.552 104 HB ILE 12 HB ILE 12 7.228 5.532 -4.318 105 HG12 ILE 12 2HG1 ILE 12 6.479 3.501 -3.190 106 HG13 ILE 12 3HG1 ILE 12 6.891 4.681 -1.954 107 HG21 ILE 12 1HG2 ILE 12 5.095 7.073 -2.787 108 HG22 ILE 12 2HG2 ILE 12 6.196 7.732 -3.998 109 HG23 ILE 12 3HG2 ILE 12 6.832 7.138 -2.465 110 HD11 ILE 12 3HD1 ILE 12 4.906 3.492 -1.338 111 HD12 ILE 12 1HD1 ILE 12 4.124 3.909 -2.862 112 HD13 ILE 12 2HD1 ILE 12 4.483 5.170 -1.679 113 H ASP 13 H ASP 13 3.547 7.044 -5.967 114 HA ASP 13 HA ASP 13 5.065 7.430 -8.441 115 HB2 ASP 13 2HB ASP 13 2.614 7.070 -8.564 116 HB3 ASP 13 3HB ASP 13 2.343 8.517 -7.592 117 H CYS 14 H CYS 14 6.751 8.692 -8.111 118 HA CYS 14 HA CYS 14 6.575 11.230 -6.580 119 HB2 CYS 14 2HB CYS 14 7.585 9.363 -5.227 120 HB3 CYS 14 3HB CYS 14 8.807 9.147 -6.472 121 HG CYS 14 HG CYS 14 9.874 11.749 -6.079 122 H GLY 15 H GLY 15 6.514 10.511 -9.477 123 HA2 GLY 15 2HA GLY 15 7.332 11.359 -11.457 124 HA3 GLY 15 3HA GLY 15 8.536 12.277 -10.545 125 H ASN 16 H ASN 16 10.401 11.695 -11.612 126 HA ASN 16 HA ASN 16 11.321 8.924 -11.246 127 HB2 ASN 16 2HB ASN 16 10.499 9.063 -13.604 128 HB3 ASN 16 3HB ASN 16 11.588 10.416 -13.904 129 HD21 ASN 16 1HD2 ASN 16 12.792 9.376 -15.483 130 HD22 ASN 16 2HD2 ASN 16 13.809 8.016 -15.164 131 H ASP 17 H ASP 17 12.817 9.397 -9.746 132 HA ASP 17 HA ASP 17 14.650 11.613 -9.823 133 HB2 ASP 17 2HB ASP 17 14.073 10.718 -7.656 134 HB3 ASP 17 3HB ASP 17 14.486 9.075 -8.143 135 H ASP 18 H ASP 18 14.706 8.274 -10.734 136 HA ASP 18 HA ASP 18 16.952 8.329 -12.474 137 HB2 ASP 18 2HB ASP 18 18.317 8.357 -10.447 138 HB3 ASP 18 3HB ASP 18 17.322 7.126 -9.680 139 H LYS 19 H LYS 19 15.043 6.452 -10.226 140 HA LYS 19 HA LYS 19 13.882 4.859 -12.406 141 HB2 LYS 19 2HB LYS 19 13.975 2.825 -10.974 142 HB3 LYS 19 3HB LYS 19 15.589 3.417 -11.352 143 HG2 LYS 19 2HG LYS 19 15.691 4.495 -9.096 144 HG3 LYS 19 3HG LYS 19 14.112 3.798 -8.723 145 HD2 LYS 19 2HD LYS 19 15.888 2.430 -7.735 146 HD3 LYS 19 3HD LYS 19 15.056 1.520 -8.996 147 HE2 LYS 19 2HE LYS 19 16.903 1.955 -10.559 148 HE3 LYS 19 3HE LYS 19 17.718 2.948 -9.348 149 HZ1 LYS 19 3HZ LYS 19 18.661 0.743 -9.422 150 HZ2 LYS 19 1HZ LYS 19 17.153 0.038 -9.117 151 HZ3 LYS 19 2HZ LYS 19 17.904 0.986 -7.933 152 H GLU 20 H GLU 20 11.825 3.885 -11.651 153 HA GLU 20 HA GLU 20 10.213 5.609 -9.987 154 HB2 GLU 20 2HB GLU 20 9.537 2.905 -11.243 155 HB3 GLU 20 3HB GLU 20 8.376 4.045 -10.557 156 HG2 GLU 20 2HG GLU 20 8.811 5.653 -12.309 157 HG3 GLU 20 3HG GLU 20 10.158 4.698 -12.926 158 H THR 21 H THR 21 9.633 5.194 -7.856 159 HA THR 21 HA THR 21 11.150 3.209 -6.396 160 HB THR 21 HB THR 21 9.849 4.278 -4.397 161 HG1 THR 21 HG1 THR 21 8.215 5.207 -5.870 162 HG21 THR 21 3HG2 THR 21 11.294 6.277 -4.381 163 HG22 THR 21 1HG2 THR 21 11.625 6.067 -6.104 164 HG23 THR 21 2HG2 THR 21 12.198 4.869 -4.939 165 H THR 22 H THR 22 10.426 1.175 -6.673 166 HA THR 22 HA THR 22 7.619 0.549 -5.970 167 HB THR 22 HB THR 22 7.945 -1.573 -7.387 168 HG1 THR 22 HG1 THR 22 9.606 -0.915 -9.176 169 HG21 THR 22 3HG2 THR 22 7.396 -0.459 -9.526 170 HG22 THR 22 1HG2 THR 22 7.937 1.089 -8.874 171 HG23 THR 22 2HG2 THR 22 6.521 0.285 -8.186 172 H TYR 23 H TYR 23 7.358 -0.850 -4.328 173 HA TYR 23 HA TYR 23 9.710 -2.212 -3.166 174 HB2 TYR 23 2HB TYR 23 7.001 -1.461 -1.967 175 HB3 TYR 23 3HB TYR 23 8.225 -2.396 -1.115 176 HD1 TYR 23 HD1 TYR 23 7.523 0.970 -2.606 177 HD2 TYR 23 HD2 TYR 23 10.048 -1.296 0.004 178 HE1 TYR 23 HE1 TYR 23 8.608 3.048 -1.842 179 HE2 TYR 23 HE2 TYR 23 11.123 0.774 0.761 180 HH TYR 23 HH TYR 23 11.514 3.033 -0.062 181 H ASP 24 H ASP 24 9.829 -4.344 -3.481 182 HA ASP 24 HA ASP 24 7.406 -5.900 -4.147 183 HB2 ASP 24 2HB ASP 24 8.932 -7.552 -5.178 184 HB3 ASP 24 3HB ASP 24 9.093 -5.973 -5.925 185 H LEU 25 H LEU 25 6.640 -6.902 -2.463 186 HA LEU 25 HA LEU 25 8.410 -8.321 -0.584 187 HB2 LEU 25 2HB LEU 25 6.996 -7.647 1.307 188 HB3 LEU 25 3HB LEU 25 7.694 -6.251 0.515 189 HG LEU 25 HG LEU 25 5.296 -6.244 -0.745 190 HD11 LEU 25 1HD1 LEU 25 4.409 -8.230 0.375 191 HD12 LEU 25 2HD1 LEU 25 3.451 -6.801 0.748 192 HD13 LEU 25 3HD1 LEU 25 4.583 -7.439 1.944 193 HD21 LEU 25 3HD2 LEU 25 5.725 -5.053 1.998 194 HD22 LEU 25 1HD2 LEU 25 4.524 -4.541 0.808 195 HD23 LEU 25 2HD2 LEU 25 6.241 -4.352 0.463 196 H TYR 26 H TYR 26 7.141 -9.995 0.597 197 HA TYR 26 HA TYR 26 5.108 -11.203 -1.163 198 HB2 TYR 26 2HB TYR 26 7.539 -12.521 0.108 199 HB3 TYR 26 3HB TYR 26 6.211 -13.419 -0.613 200 HD1 TYR 26 HD2 TYR 26 9.092 -11.190 -1.326 201 HD2 TYR 26 HD1 TYR 26 5.917 -13.479 -3.067 202 HE1 TYR 26 HE2 TYR 26 10.112 -10.920 -3.547 203 HE2 TYR 26 HE1 TYR 26 6.950 -13.202 -5.278 204 HH TYR 26 HH TYR 26 10.109 -11.977 -5.713 205 H PHE 27 H PHE 27 3.339 -10.999 -0.013 206 HA PHE 27 HA PHE 27 2.969 -11.335 2.753 207 HB2 PHE 27 2HB PHE 27 1.288 -10.323 1.172 208 HB3 PHE 27 3HB PHE 27 1.031 -11.895 0.445 209 HD1 PHE 27 HD2 PHE 27 0.147 -13.798 2.130 210 HD2 PHE 27 HD1 PHE 27 -0.190 -9.593 2.856 211 HE1 PHE 27 HE2 PHE 27 -1.665 -14.226 3.726 212 HE2 PHE 27 HE1 PHE 27 -2.021 -10.044 4.448 213 HZ PHE 27 HZ PHE 27 -2.742 -12.352 4.887 214 H SER 28 H SER 28 4.192 -13.130 3.414 215 HA SER 28 HA SER 28 3.567 -15.787 2.403 216 HB2 SER 28 2HB SER 28 5.089 -16.494 4.310 217 HB3 SER 28 3HB SER 28 5.831 -15.407 3.136 218 HG SER 28 HG SER 28 6.351 -14.433 4.955 219 H LYS 29 H LYS 29 3.258 -14.134 5.563 220 HA LYS 29 HA LYS 29 0.569 -15.306 5.953 221 HB2 LYS 29 2HB LYS 29 2.726 -15.134 8.116 222 HB3 LYS 29 3HB LYS 29 1.076 -15.699 8.354 223 HG2 LYS 29 2HG LYS 29 3.223 -17.053 6.691 224 HG3 LYS 29 3HG LYS 29 2.641 -17.581 8.268 225 HD2 LYS 29 2HD LYS 29 0.947 -17.461 5.742 226 HD3 LYS 29 3HD LYS 29 1.735 -18.918 6.345 227 HE2 LYS 29 2HE LYS 29 -0.375 -17.327 7.836 228 HE3 LYS 29 3HE LYS 29 -0.675 -18.809 6.934 229 HZ1 LYS 29 3HZ LYS 29 1.083 -18.558 9.320 230 HZ2 LYS 29 1HZ LYS 29 0.810 -19.979 8.442 231 HZ3 LYS 29 2HZ LYS 29 -0.458 -19.248 9.287 232 H ALA 30 H ALA 30 -0.394 -14.154 8.058 233 HA ALA 30 HA ALA 30 -0.770 -11.410 7.339 234 HB1 ALA 30 3HB ALA 30 -2.403 -11.386 9.171 235 HB2 ALA 30 1HB ALA 30 -1.792 -12.935 9.765 236 HB3 ALA 30 2HB ALA 30 -2.590 -12.840 8.196 237 H GLU 31 H GLU 31 1.093 -13.077 9.779 238 HA GLU 31 HA GLU 31 1.660 -10.943 11.553 239 HB2 GLU 31 2HB GLU 31 3.293 -13.420 10.831 240 HB3 GLU 31 3HB GLU 31 3.707 -12.333 12.149 241 HG2 GLU 31 2HG GLU 31 2.617 -14.362 12.971 242 HG3 GLU 31 3HG GLU 31 1.659 -12.929 13.335 243 H GLU 32 H GLU 32 3.373 -12.309 8.800 244 HA GLU 32 HA GLU 32 5.548 -10.519 8.671 245 HB2 GLU 32 2HB GLU 32 4.352 -12.142 6.382 246 HB3 GLU 32 3HB GLU 32 6.011 -11.559 6.514 247 HG2 GLU 32 2HG GLU 32 4.694 -13.674 8.244 248 HG3 GLU 32 3HG GLU 32 5.905 -13.951 6.998 249 H ALA 33 H ALA 33 2.352 -10.572 7.165 250 HA ALA 33 HA ALA 33 2.562 -8.498 5.317 251 HB1 ALA 33 3HB ALA 33 0.122 -8.363 5.433 252 HB2 ALA 33 1HB ALA 33 0.122 -9.276 6.948 253 HB3 ALA 33 2HB ALA 33 0.651 -10.045 5.451 254 H LYS 34 H LYS 34 1.657 -8.371 8.778 255 HA LYS 34 HA LYS 34 1.097 -5.586 8.853 256 HB2 LYS 34 2HB LYS 34 1.766 -7.533 11.094 257 HB3 LYS 34 3HB LYS 34 1.239 -5.871 11.354 258 HG2 LYS 34 2HG LYS 34 -0.896 -6.391 10.167 259 HG3 LYS 34 3HG LYS 34 -0.368 -8.070 10.016 260 HD2 LYS 34 2HD LYS 34 -1.903 -7.827 11.922 261 HD3 LYS 34 3HD LYS 34 -0.290 -8.269 12.487 262 HE2 LYS 34 2HE LYS 34 0.147 -5.904 13.080 263 HE3 LYS 34 3HE LYS 34 -1.461 -5.461 12.504 264 HZ1 LYS 34 3HZ LYS 34 -1.477 -5.678 14.876 265 HZ2 LYS 34 1HZ LYS 34 -0.840 -7.239 14.798 266 HZ3 LYS 34 2HZ LYS 34 -2.392 -6.933 14.216 267 H GLU 35 H GLU 35 4.055 -7.407 9.231 268 HA GLU 35 HA GLU 35 5.661 -5.326 10.352 269 HB2 GLU 35 2HB GLU 35 6.091 -7.838 10.398 270 HB3 GLU 35 3HB GLU 35 6.577 -7.733 8.716 271 HG2 GLU 35 2HG GLU 35 7.921 -6.282 11.018 272 HG3 GLU 35 3HG GLU 35 8.476 -7.810 10.350 273 H LEU 36 H LEU 36 5.333 -6.659 7.049 274 HA LEU 36 HA LEU 36 6.863 -4.726 5.682 275 HB2 LEU 36 2HB LEU 36 4.775 -6.731 4.821 276 HB3 LEU 36 3HB LEU 36 5.350 -5.546 3.667 277 HG LEU 36 HG LEU 36 6.602 -7.513 3.250 278 HD11 LEU 36 1HD1 LEU 36 8.920 -6.880 3.621 279 HD12 LEU 36 2HD1 LEU 36 8.436 -5.695 4.835 280 HD13 LEU 36 3HD1 LEU 36 7.947 -5.489 3.149 281 HD21 LEU 36 3HD2 LEU 36 7.892 -8.798 4.878 282 HD22 LEU 36 1HD2 LEU 36 6.182 -8.769 5.301 283 HD23 LEU 36 2HD2 LEU 36 7.325 -7.754 6.188 284 H LEU 37 H LEU 37 3.547 -4.762 6.712 285 HA LEU 37 HA LEU 37 2.360 -2.676 5.289 286 HB2 LEU 37 2HB LEU 37 1.060 -4.155 6.690 287 HB3 LEU 37 3HB LEU 37 1.986 -3.723 8.108 288 HG LEU 37 HG LEU 37 0.938 -1.418 8.027 289 HD11 LEU 37 1HD1 LEU 37 -0.840 -2.648 5.906 290 HD12 LEU 37 2HD1 LEU 37 0.326 -1.344 5.665 291 HD13 LEU 37 3HD1 LEU 37 -1.084 -1.082 6.689 292 HD21 LEU 37 3HD2 LEU 37 -0.983 -3.754 8.291 293 HD22 LEU 37 1HD2 LEU 37 -1.205 -2.142 8.979 294 HD23 LEU 37 2HD2 LEU 37 0.114 -3.169 9.546 295 H LYS 38 H LYS 38 4.185 -2.651 8.347 296 HA LYS 38 HA LYS 38 4.024 0.108 8.918 297 HB2 LYS 38 2HB LYS 38 6.112 -1.955 9.741 298 HB3 LYS 38 3HB LYS 38 6.002 -0.332 10.426 299 HG2 LYS 38 2HG LYS 38 3.775 -0.827 11.313 300 HG3 LYS 38 3HG LYS 38 3.822 -2.437 10.582 301 HD2 LYS 38 2HD LYS 38 5.765 -3.023 12.007 302 HD3 LYS 38 3HD LYS 38 5.721 -1.414 12.736 303 HE2 LYS 38 2HE LYS 38 3.489 -1.887 13.655 304 HE3 LYS 38 3HE LYS 38 3.506 -3.482 12.894 305 HZ1 LYS 38 3HZ LYS 38 5.413 -4.068 14.258 306 HZ2 LYS 38 1HZ LYS 38 4.106 -3.608 15.224 307 HZ3 LYS 38 2HZ LYS 38 5.399 -2.546 14.985 308 H LYS 39 H LYS 39 6.469 -1.841 7.203 309 HA LYS 39 HA LYS 39 8.361 0.153 6.692 310 HB2 LYS 39 2HB LYS 39 7.665 -2.349 5.107 311 HB3 LYS 39 3HB LYS 39 9.012 -1.295 4.686 312 HG2 LYS 39 2HG LYS 39 10.008 -1.693 6.911 313 HG3 LYS 39 3HG LYS 39 8.697 -2.822 7.287 314 HD2 LYS 39 2HD LYS 39 9.395 -4.303 5.468 315 HD3 LYS 39 3HD LYS 39 10.597 -3.134 4.921 316 HE2 LYS 39 2HE LYS 39 11.858 -3.449 7.003 317 HE3 LYS 39 3HE LYS 39 10.639 -4.582 7.581 318 HZ1 LYS 39 3HZ LYS 39 11.185 -6.019 5.685 319 HZ2 LYS 39 1HZ LYS 39 12.507 -5.770 6.708 320 HZ3 LYS 39 2HZ LYS 39 12.413 -4.954 5.230 321 H VAL 40 H VAL 40 5.683 -0.957 4.580 322 HA VAL 40 HA VAL 40 6.194 0.838 2.463 323 HB VAL 40 HB VAL 40 3.598 -0.574 3.226 324 HG11 VAL 40 1HG1 VAL 40 4.328 0.808 0.622 325 HG12 VAL 40 2HG1 VAL 40 3.086 1.324 1.764 326 HG13 VAL 40 3HG1 VAL 40 2.893 -0.189 0.878 327 HG21 VAL 40 3HG2 VAL 40 4.218 -2.198 1.465 328 HG22 VAL 40 1HG2 VAL 40 5.444 -2.131 2.734 329 HG23 VAL 40 2HG2 VAL 40 5.728 -1.325 1.191 330 H ALA 41 H ALA 41 4.146 1.076 5.331 331 HA ALA 41 HA ALA 41 2.700 3.399 4.724 332 HB1 ALA 41 3HB ALA 41 2.122 1.872 6.562 333 HB2 ALA 41 1HB ALA 41 2.265 3.534 7.137 334 HB3 ALA 41 2HB ALA 41 3.562 2.375 7.450 335 H GLU 42 H GLU 42 5.733 3.013 6.573 336 HA GLU 42 HA GLU 42 5.993 5.809 7.160 337 HB2 GLU 42 2HB GLU 42 8.081 5.205 8.271 338 HB3 GLU 42 3HB GLU 42 6.825 4.048 8.699 339 HG2 GLU 42 2HG GLU 42 7.775 2.471 6.988 340 HG3 GLU 42 3HG GLU 42 9.095 3.608 6.729 341 H LYS 43 H LYS 43 7.428 3.610 4.757 342 HA LYS 43 HA LYS 43 9.467 5.444 3.900 343 HB2 LYS 43 2HB LYS 43 8.403 2.955 2.503 344 HB3 LYS 43 3HB LYS 43 9.842 3.850 2.020 345 HG2 LYS 43 2HG LYS 43 9.442 2.327 4.608 346 HG3 LYS 43 3HG LYS 43 10.469 1.853 3.256 347 HD2 LYS 43 2HD LYS 43 11.982 3.716 3.692 348 HD3 LYS 43 3HD LYS 43 10.897 4.368 4.926 349 HE2 LYS 43 2HE LYS 43 11.276 2.366 6.322 350 HE3 LYS 43 3HE LYS 43 12.352 1.700 5.088 351 HZ1 LYS 43 3HZ LYS 43 13.551 2.800 6.899 352 HZ2 LYS 43 1HZ LYS 43 12.788 4.260 6.523 353 HZ3 LYS 43 2HZ LYS 43 13.842 3.549 5.410 354 H ALA 44 H ALA 44 6.256 4.525 2.662 355 HA ALA 44 HA ALA 44 6.186 6.191 0.381 356 HB1 ALA 44 3HB ALA 44 4.491 4.454 0.793 357 HB2 ALA 44 1HB ALA 44 3.735 6.029 0.543 358 HB3 ALA 44 2HB ALA 44 3.876 5.364 2.174 359 H ALA 45 H ALA 45 5.181 6.694 3.752 360 HA ALA 45 HA ALA 45 4.273 9.318 3.589 361 HB1 ALA 45 3HB ALA 45 4.577 9.414 6.020 362 HB2 ALA 45 1HB ALA 45 5.571 7.951 5.965 363 HB3 ALA 45 2HB ALA 45 3.862 7.876 5.530 364 H ASP 46 H ASP 46 7.577 8.047 3.923 365 HA ASP 46 HA ASP 46 8.935 10.437 4.534 366 HB2 ASP 46 2HB ASP 46 9.853 7.916 3.098 367 HB3 ASP 46 3HB ASP 46 10.949 9.271 3.350 368 H LYS 47 H LYS 47 8.131 8.967 1.368 369 HA LYS 47 HA LYS 47 9.376 10.923 -0.263 370 HB2 LYS 47 2HB LYS 47 7.518 8.649 -0.731 371 HB3 LYS 47 3HB LYS 47 7.297 9.960 -1.870 372 HG2 LYS 47 2HG LYS 47 8.836 8.499 -2.917 373 HG3 LYS 47 3HG LYS 47 9.808 9.846 -2.324 374 HD2 LYS 47 2HD LYS 47 11.024 7.841 -1.816 375 HD3 LYS 47 3HD LYS 47 10.359 8.419 -0.284 376 HE2 LYS 47 2HE LYS 47 8.432 6.792 -0.646 377 HE3 LYS 47 3HE LYS 47 9.347 6.133 -2.005 378 HZ1 LYS 47 3HZ LYS 47 10.275 6.252 0.807 379 HZ2 LYS 47 1HZ LYS 47 11.138 5.615 -0.497 380 HZ3 LYS 47 2HZ LYS 47 9.709 4.876 0.007 381 H ILE 48 H ILE 48 6.133 10.735 1.153 382 HA ILE 48 HA ILE 48 5.128 13.060 -0.215 383 HB ILE 48 HB ILE 48 3.915 12.120 2.407 384 HG12 ILE 48 2HG1 ILE 48 4.291 10.032 1.096 385 HG13 ILE 48 3HG1 ILE 48 2.584 10.388 1.287 386 HG21 ILE 48 1HG2 ILE 48 1.792 12.802 1.304 387 HG22 ILE 48 2HG2 ILE 48 2.693 13.253 -0.146 388 HG23 ILE 48 3HG2 ILE 48 2.960 14.125 1.365 389 HD11 ILE 48 3HD1 ILE 48 3.079 9.536 -0.910 390 HD12 ILE 48 1HD1 ILE 48 4.225 10.843 -1.196 391 HD13 ILE 48 2HD1 ILE 48 2.502 11.199 -1.016 392 H LYS 49 H LYS 49 6.845 12.428 2.766 393 HA LYS 49 HA LYS 49 6.407 14.917 4.087 394 HB2 LYS 49 2HB LYS 49 7.052 12.860 5.280 395 HB3 LYS 49 3HB LYS 49 8.581 12.810 4.412 396 HG2 LYS 49 2HG LYS 49 9.287 14.897 5.544 397 HG3 LYS 49 3HG LYS 49 7.754 14.928 6.426 398 HD2 LYS 49 2HD LYS 49 8.316 12.769 7.501 399 HD3 LYS 49 3HD LYS 49 9.826 12.696 6.587 400 HE2 LYS 49 2HE LYS 49 10.623 14.719 7.735 401 HE3 LYS 49 3HE LYS 49 9.108 14.816 8.635 402 HZ1 LYS 49 3HZ LYS 49 11.095 12.613 8.799 403 HZ2 LYS 49 1HZ LYS 49 9.630 12.667 9.639 404 HZ3 LYS 49 2HZ LYS 49 10.834 13.807 9.964 405 H LYS 50 H LYS 50 9.002 13.673 1.994 406 HA LYS 50 HA LYS 50 10.647 16.048 2.337 407 HB2 LYS 50 2HB LYS 50 12.314 14.858 0.957 408 HB3 LYS 50 3HB LYS 50 11.740 13.859 2.280 409 HG2 LYS 50 2HG LYS 50 10.267 12.636 0.693 410 HG3 LYS 50 3HG LYS 50 10.910 13.603 -0.630 411 HD2 LYS 50 2HD LYS 50 11.979 11.419 -0.594 412 HD3 LYS 50 3HD LYS 50 13.167 12.659 -0.206 413 HE2 LYS 50 2HE LYS 50 11.762 11.050 1.953 414 HE3 LYS 50 3HE LYS 50 13.225 10.474 1.157 415 HZ1 LYS 50 3HZ LYS 50 12.955 12.956 2.762 416 HZ2 LYS 50 1HZ LYS 50 14.339 12.533 1.892 417 HZ3 LYS 50 2HZ LYS 50 13.817 11.567 3.178 418 H GLN 51 H GLN 51 8.751 14.551 -0.280 419 HA GLN 51 HA GLN 51 9.349 16.858 -2.056 420 HB2 GLN 51 2HB GLN 51 10.187 14.721 -2.931 421 HB3 GLN 51 3HB GLN 51 8.599 13.982 -2.742 422 HG2 GLN 51 2HG GLN 51 7.662 15.346 -4.503 423 HG3 GLN 51 3HG GLN 51 9.118 16.338 -4.585 424 HE21 GLN 51 1HE2 GLN 51 7.731 14.734 -6.664 425 HE22 GLN 51 2HE2 GLN 51 8.949 13.693 -7.316 426 H GLY 52 H GLY 52 6.773 14.686 -0.912 427 HA2 GLY 52 2HA GLY 52 4.506 15.181 -0.649 428 HA3 GLY 52 3HA GLY 52 4.729 16.701 -1.511 429 H CYS 53 H CYS 53 5.178 13.238 -2.148 430 HA CYS 53 HA CYS 53 4.784 13.283 -4.908 431 HB2 CYS 53 2HB CYS 53 4.303 10.976 -2.988 432 HB3 CYS 53 3HB CYS 53 4.627 10.836 -4.714 433 HG CYS 53 HG CYS 53 7.208 12.111 -4.378 434 H LYS 54 H LYS 54 2.471 12.628 -2.263 435 HA LYS 54 HA LYS 54 0.234 12.827 -2.048 436 HB2 LYS 54 2HB LYS 54 0.599 14.673 -4.432 437 HB3 LYS 54 3HB LYS 54 -0.930 14.511 -3.572 438 HG2 LYS 54 2HG LYS 54 0.150 15.312 -1.497 439 HG3 LYS 54 3HG LYS 54 1.681 15.470 -2.356 440 HD2 LYS 54 2HD LYS 54 0.698 17.665 -2.179 441 HD3 LYS 54 3HD LYS 54 0.592 17.171 -3.867 442 HE2 LYS 54 2HE LYS 54 -1.718 16.912 -1.906 443 HE3 LYS 54 3HE LYS 54 -1.462 18.335 -2.911 444 HZ1 LYS 54 3HZ LYS 54 -1.615 16.851 -4.878 445 HZ2 LYS 54 1HZ LYS 54 -3.040 16.929 -3.974 446 HZ3 LYS 54 2HZ LYS 54 -2.042 15.575 -3.853 447 H ARG 55 H ARG 55 1.414 10.876 -4.251 448 HA ARG 55 HA ARG 55 -1.163 9.714 -4.897 449 HB2 ARG 55 2HB ARG 55 -0.683 11.195 -6.869 450 HB3 ARG 55 3HB ARG 55 0.839 10.344 -7.126 451 HG2 ARG 55 2HG ARG 55 -0.398 8.248 -7.571 452 HG3 ARG 55 3HG ARG 55 -1.927 9.080 -7.282 453 HD2 ARG 55 2HD ARG 55 -1.468 10.558 -9.228 454 HD3 ARG 55 3HD ARG 55 0.042 9.683 -9.519 455 HE ARG 55 HE ARG 55 -2.027 7.809 -9.471 456 HH11 ARG 55 1HH1 ARG 55 -1.018 10.498 -11.517 457 HH12 ARG 55 2HH1 ARG 55 -1.724 9.816 -12.948 458 HH21 ARG 55 1HH2 ARG 55 -2.958 6.965 -11.332 459 HH22 ARG 55 2HH2 ARG 55 -2.825 7.813 -12.837 460 H VAL 56 H VAL 56 -0.998 7.706 -4.390 461 HA VAL 56 HA VAL 56 1.524 6.185 -4.624 462 HB VAL 56 HB VAL 56 -0.557 5.965 -2.384 463 HG11 VAL 56 1HG1 VAL 56 0.477 3.799 -2.886 464 HG12 VAL 56 2HG1 VAL 56 1.010 4.398 -1.314 465 HG13 VAL 56 3HG1 VAL 56 2.083 4.515 -2.711 466 HG21 VAL 56 3HG2 VAL 56 1.173 6.813 -0.844 467 HG22 VAL 56 1HG2 VAL 56 0.796 8.007 -2.091 468 HG23 VAL 56 2HG2 VAL 56 2.277 7.052 -2.202 469 H LYS 57 H LYS 57 1.185 4.015 -5.276 470 HA LYS 57 HA LYS 57 -1.531 3.112 -5.973 471 HB2 LYS 57 2HB LYS 57 0.938 2.754 -7.733 472 HB3 LYS 57 3HB LYS 57 -0.668 2.113 -8.063 473 HG2 LYS 57 2HG LYS 57 -1.523 4.455 -8.243 474 HG3 LYS 57 3HG LYS 57 0.125 5.046 -8.009 475 HD2 LYS 57 2HD LYS 57 -0.479 5.030 -10.403 476 HD3 LYS 57 3HD LYS 57 0.838 3.899 -10.079 477 HE2 LYS 57 2HE LYS 57 -0.707 2.016 -10.151 478 HE3 LYS 57 3HE LYS 57 -2.085 3.106 -10.313 479 HZ1 LYS 57 3HZ LYS 57 0.106 2.846 -12.298 480 HZ2 LYS 57 1HZ LYS 57 -1.289 3.781 -12.458 481 HZ3 LYS 57 2HZ LYS 57 -1.402 2.095 -12.421 482 H ILE 58 H ILE 58 -1.868 0.948 -5.543 483 HA ILE 58 HA ILE 58 0.370 -0.639 -4.392 484 HB ILE 58 HB ILE 58 -2.551 -0.591 -3.492 485 HG12 ILE 58 2HG1 ILE 58 -0.151 0.372 -1.882 486 HG13 ILE 58 3HG1 ILE 58 -1.148 1.449 -2.853 487 HG21 ILE 58 1HG2 ILE 58 -1.591 -2.833 -3.241 488 HG22 ILE 58 2HG2 ILE 58 -1.862 -2.102 -1.658 489 HG23 ILE 58 3HG2 ILE 58 -0.234 -2.169 -2.330 490 HD11 ILE 58 3HD1 ILE 58 -3.093 0.868 -1.502 491 HD12 ILE 58 1HD1 ILE 58 -1.782 1.548 -0.541 492 HD13 ILE 58 2HD1 ILE 58 -2.086 -0.189 -0.506 493 H ARG 59 H ARG 59 0.731 -2.244 -5.861 494 HA ARG 59 HA ARG 59 -1.559 -3.402 -7.362 495 HB2 ARG 59 2HB ARG 59 0.323 -2.284 -8.696 496 HB3 ARG 59 3HB ARG 59 1.395 -3.543 -8.099 497 HG2 ARG 59 2HG ARG 59 -0.163 -5.238 -9.180 498 HG3 ARG 59 3HG ARG 59 -1.007 -3.872 -9.915 499 HD2 ARG 59 2HD ARG 59 1.826 -4.811 -10.396 500 HD3 ARG 59 3HD ARG 59 0.526 -4.633 -11.574 501 HE ARG 59 HE ARG 59 2.410 -2.666 -10.748 502 HH11 ARG 59 1HH1 ARG 59 -0.927 -2.932 -11.870 503 HH12 ARG 59 2HH1 ARG 59 -0.958 -1.315 -12.492 504 HH21 ARG 59 1HH2 ARG 59 2.324 -0.565 -11.533 505 HH22 ARG 59 2HH2 ARG 59 0.881 0.018 -12.299 506 H PHE 60 H PHE 60 -1.988 -5.524 -7.000 507 HA PHE 60 HA PHE 60 -0.017 -7.365 -5.901 508 HB2 PHE 60 2HB PHE 60 -1.001 -5.954 -3.962 509 HB3 PHE 60 3HB PHE 60 -2.547 -6.716 -4.284 510 HD1 PHE 60 HD1 PHE 60 -1.005 -9.548 -4.804 511 HD2 PHE 60 HD2 PHE 60 -1.130 -6.674 -1.644 512 HE1 PHE 60 HE1 PHE 60 -0.500 -11.304 -3.205 513 HE2 PHE 60 HE2 PHE 60 -0.619 -8.463 -0.036 514 HZ PHE 60 HZ PHE 60 -0.299 -10.781 -0.822 515 H GLU 61 H GLU 61 -0.489 -9.350 -6.663 516 HA GLU 61 HA GLU 61 -2.763 -9.849 -8.371 517 HB2 GLU 61 2HB GLU 61 -0.463 -10.737 -8.849 518 HB3 GLU 61 3HB GLU 61 -0.562 -11.732 -7.403 519 HG2 GLU 61 2HG GLU 61 -2.618 -12.845 -8.477 520 HG3 GLU 61 3HG GLU 61 -2.169 -12.012 -9.966 521 H LYS 62 H LYS 62 -4.547 -11.162 -7.902 522 HA LYS 62 HA LYS 62 -4.864 -12.178 -5.115 523 HB2 LYS 62 2HB LYS 62 -6.961 -11.306 -7.166 524 HB3 LYS 62 3HB LYS 62 -7.353 -12.018 -5.605 525 HG2 LYS 62 2HG LYS 62 -5.907 -9.399 -6.042 526 HG3 LYS 62 3HG LYS 62 -7.607 -9.578 -5.629 527 HD2 LYS 62 2HD LYS 62 -6.876 -9.272 -3.482 528 HD3 LYS 62 3HD LYS 62 -6.468 -10.988 -3.564 529 HE2 LYS 62 2HE LYS 62 -4.604 -9.746 -2.650 530 HE3 LYS 62 3HE LYS 62 -4.174 -10.366 -4.252 531 HZ1 LYS 62 3HZ LYS 62 -3.500 -8.039 -3.842 532 HZ2 LYS 62 1HZ LYS 62 -5.122 -7.590 -3.755 533 HZ3 LYS 62 2HZ LYS 62 -4.490 -8.218 -5.194 534 H LYS 63 H LYS 63 -4.595 -13.090 -8.379 535 HA LYS 63 HA LYS 63 -6.399 -15.248 -8.580 536 HB2 LYS 63 2HB LYS 63 -5.508 -13.905 -10.433 537 HB3 LYS 63 3HB LYS 63 -3.897 -14.532 -10.145 538 HG2 LYS 63 2HG LYS 63 -6.155 -16.418 -10.843 539 HG3 LYS 63 3HG LYS 63 -5.366 -15.485 -12.112 540 HD2 LYS 63 2HD LYS 63 -4.004 -17.462 -10.236 541 HD3 LYS 63 3HD LYS 63 -4.399 -17.745 -11.931 542 HE2 LYS 63 2HE LYS 63 -2.806 -16.063 -12.648 543 HE3 LYS 63 3HE LYS 63 -2.514 -15.556 -10.982 544 HZ1 LYS 63 3HZ LYS 63 -0.761 -17.000 -11.869 545 HZ2 LYS 63 1HZ LYS 63 -1.883 -18.248 -12.064 546 HZ3 LYS 63 2HZ LYS 63 -1.517 -17.675 -10.517 547 H GLY 64 H GLY 64 -2.937 -15.104 -7.737 548 HA2 GLY 64 2HA GLY 64 -2.632 -17.971 -7.543 549 HA3 GLY 64 3HA GLY 64 -1.452 -16.749 -7.106 550 H LEU 65 H LEU 65 -4.145 -15.816 -5.493 551 HA LEU 65 HA LEU 65 -3.005 -16.824 -2.997 552 HB2 LEU 65 2HB LEU 65 -4.847 -14.528 -3.701 553 HB3 LEU 65 3HB LEU 65 -4.640 -15.037 -2.034 554 HG LEU 65 HG LEU 65 -2.231 -14.518 -2.160 555 HD11 LEU 65 1HD1 LEU 65 -1.278 -13.278 -4.053 556 HD12 LEU 65 2HD1 LEU 65 -2.773 -13.531 -4.960 557 HD13 LEU 65 3HD1 LEU 65 -1.770 -14.909 -4.507 558 HD21 LEU 65 3HD2 LEU 65 -4.002 -12.227 -3.014 559 HD22 LEU 65 1HD2 LEU 65 -2.423 -12.078 -2.240 560 HD23 LEU 65 2HD2 LEU 65 -3.763 -12.811 -1.365 561 H ASP 66 H ASP 66 -3.962 -18.232 -1.722 562 HA ASP 66 HA ASP 66 -6.422 -19.556 -2.006 563 HB2 ASP 66 2HB ASP 66 -4.651 -20.375 -0.513 564 HB3 ASP 66 3HB ASP 66 -4.737 -18.919 0.469 565 H ASP 67 H ASP 67 -8.443 -19.239 -0.734 566 HA ASP 67 HA ASP 67 -9.610 -16.745 -1.010 567 HB2 ASP 67 2HB ASP 67 -10.399 -18.954 0.939 568 HB3 ASP 67 3HB ASP 67 -11.410 -17.557 0.579 569 H ASP 68 H ASP 68 -8.169 -18.121 1.929 570 HA ASP 68 HA ASP 68 -8.807 -15.898 3.621 571 HB2 ASP 68 2HB ASP 68 -8.515 -18.191 4.519 572 HB3 ASP 68 3HB ASP 68 -6.816 -18.175 4.046 573 H ALA 69 H ALA 69 -5.857 -16.986 1.916 574 HA ALA 69 HA ALA 69 -4.075 -14.981 2.775 575 HB1 ALA 69 3HB ALA 69 -3.354 -16.987 1.555 576 HB2 ALA 69 1HB ALA 69 -2.775 -15.521 0.764 577 HB3 ALA 69 2HB ALA 69 -4.159 -16.396 0.097 578 H ARG 70 H ARG 70 -6.477 -15.015 0.260 579 HA ARG 70 HA ARG 70 -5.698 -12.689 -1.178 580 HB2 ARG 70 2HB ARG 70 -6.904 -14.545 -2.255 581 HB3 ARG 70 3HB ARG 70 -8.265 -14.339 -1.158 582 HG2 ARG 70 2HG ARG 70 -8.705 -12.109 -2.137 583 HG3 ARG 70 3HG ARG 70 -7.349 -12.338 -3.240 584 HD2 ARG 70 2HD ARG 70 -8.500 -14.203 -4.325 585 HD3 ARG 70 3HD ARG 70 -9.818 -14.101 -3.150 586 HE ARG 70 HE ARG 70 -9.354 -11.651 -4.600 587 HH11 ARG 70 1HH1 ARG 70 -11.101 -14.712 -4.674 588 HH12 ARG 70 2HH1 ARG 70 -12.323 -14.124 -5.753 589 HH21 ARG 70 1HH2 ARG 70 -10.988 -10.884 -5.977 590 HH22 ARG 70 2HH2 ARG 70 -12.253 -11.950 -6.491 591 H LYS 71 H LYS 71 -8.114 -13.488 1.229 592 HA LYS 71 HA LYS 71 -9.556 -11.059 1.275 593 HB2 LYS 71 2HB LYS 71 -10.466 -13.186 2.078 594 HB3 LYS 71 3HB LYS 71 -9.230 -13.280 3.328 595 HG2 LYS 71 2HG LYS 71 -10.207 -11.243 4.399 596 HG3 LYS 71 3HG LYS 71 -11.486 -11.249 3.176 597 HD2 LYS 71 2HD LYS 71 -12.228 -13.471 3.929 598 HD3 LYS 71 3HD LYS 71 -10.913 -13.532 5.107 599 HE2 LYS 71 2HE LYS 71 -11.913 -11.568 6.266 600 HE3 LYS 71 3HE LYS 71 -13.260 -11.607 5.123 601 HZ1 LYS 71 3HZ LYS 71 -13.801 -13.823 5.875 602 HZ2 LYS 71 1HZ LYS 71 -13.789 -12.759 7.186 603 HZ3 LYS 71 2HZ LYS 71 -12.498 -13.821 6.951 604 H LYS 72 H LYS 72 -6.984 -12.350 3.374 605 HA LYS 72 HA LYS 72 -6.741 -10.111 5.099 606 HB2 LYS 72 2HB LYS 72 -4.841 -12.384 4.417 607 HB3 LYS 72 3HB LYS 72 -4.423 -11.137 5.584 608 HG2 LYS 72 2HG LYS 72 -6.351 -11.809 6.981 609 HG3 LYS 72 3HG LYS 72 -6.733 -13.093 5.826 610 HD2 LYS 72 2HD LYS 72 -4.722 -14.283 6.316 611 HD3 LYS 72 3HD LYS 72 -3.996 -12.892 7.125 612 HE2 LYS 72 2HE LYS 72 -4.626 -14.511 8.797 613 HE3 LYS 72 3HE LYS 72 -5.699 -13.123 8.940 614 HZ1 LYS 72 3HZ LYS 72 -7.382 -14.374 7.720 615 HZ2 LYS 72 1HZ LYS 72 -6.911 -15.179 9.130 616 HZ3 LYS 72 2HZ LYS 72 -6.348 -15.702 7.627 617 H ALA 73 H ALA 73 -5.175 -11.003 2.054 618 HA ALA 73 HA ALA 73 -3.173 -8.956 2.037 619 HB1 ALA 73 3HB ALA 73 -4.318 -10.645 -0.211 620 HB2 ALA 73 1HB ALA 73 -2.891 -11.009 0.761 621 HB3 ALA 73 2HB ALA 73 -2.882 -9.629 -0.335 622 H LYS 74 H LYS 74 -6.445 -9.222 0.823 623 HA LYS 74 HA LYS 74 -6.563 -6.830 -0.725 624 HB2 LYS 74 2HB LYS 74 -8.168 -8.610 -1.085 625 HB3 LYS 74 3HB LYS 74 -8.689 -8.559 0.594 626 HG2 LYS 74 2HG LYS 74 -9.654 -6.286 0.204 627 HG3 LYS 74 3HG LYS 74 -9.154 -6.389 -1.484 628 HD2 LYS 74 2HD LYS 74 -11.538 -6.910 -1.242 629 HD3 LYS 74 3HD LYS 74 -10.652 -8.324 -1.820 630 HE2 LYS 74 2HE LYS 74 -12.280 -8.984 -0.118 631 HE3 LYS 74 3HE LYS 74 -10.649 -9.231 0.511 632 HZ1 LYS 74 3HZ LYS 74 -12.404 -6.902 1.092 633 HZ2 LYS 74 1HZ LYS 74 -10.849 -7.135 1.713 634 HZ3 LYS 74 2HZ LYS 74 -12.099 -8.188 2.140 635 H LYS 75 H LYS 75 -7.512 -7.696 2.606 636 HA LYS 75 HA LYS 75 -8.321 -5.172 3.518 637 HB2 LYS 75 2HB LYS 75 -8.770 -7.206 4.832 638 HB3 LYS 75 3HB LYS 75 -7.044 -7.466 5.073 639 HG2 LYS 75 2HG LYS 75 -6.984 -5.229 6.294 640 HG3 LYS 75 3HG LYS 75 -8.747 -5.220 6.212 641 HD2 LYS 75 2HD LYS 75 -8.847 -7.267 7.569 642 HD3 LYS 75 3HD LYS 75 -7.084 -7.387 7.556 643 HE2 LYS 75 2HE LYS 75 -6.983 -5.180 8.751 644 HE3 LYS 75 3HE LYS 75 -8.743 -5.209 8.873 645 HZ1 LYS 75 3HZ LYS 75 -6.899 -7.235 10.026 646 HZ2 LYS 75 1HZ LYS 75 -8.585 -7.238 10.165 647 HZ3 LYS 75 2HZ LYS 75 -7.680 -6.007 10.886 648 H TRP 76 H TRP 76 -5.156 -6.767 3.461 649 HA TRP 76 HA TRP 76 -3.623 -4.931 4.898 650 HB2 TRP 76 2HB TRP 76 -2.797 -7.183 4.380 651 HB3 TRP 76 3HB TRP 76 -2.807 -6.835 2.654 652 HD1 TRP 76 HD1 TRP 76 -0.849 -5.937 5.871 653 HE1 TRP 76 HE1 TRP 76 1.473 -5.085 5.188 654 HE3 TRP 76 HE3 TRP 76 -1.447 -5.815 0.781 655 HZ2 TRP 76 HZ2 TRP 76 2.873 -4.430 2.854 656 HZ3 TRP 76 HZ3 TRP 76 0.438 -5.052 -0.612 657 HH2 TRP 76 HH2 TRP 76 2.560 -4.372 0.406 658 H ALA 77 H ALA 77 -4.226 -5.173 1.392 659 HA ALA 77 HA ALA 77 -2.642 -3.041 0.521 660 HB1 ALA 77 3HB ALA 77 -5.234 -4.074 -0.675 661 HB2 ALA 77 1HB ALA 77 -3.619 -4.707 -0.999 662 HB3 ALA 77 2HB ALA 77 -4.042 -3.069 -1.509 663 H LEU 78 H LEU 78 -5.982 -3.117 1.707 664 HA LEU 78 HA LEU 78 -6.525 -0.334 1.335 665 HB2 LEU 78 2HB LEU 78 -7.897 -2.359 3.141 666 HB3 LEU 78 3HB LEU 78 -8.517 -0.757 2.769 667 HG LEU 78 HG LEU 78 -8.191 -3.058 0.799 668 HD11 LEU 78 1HD1 LEU 78 -10.070 -3.353 2.335 669 HD12 LEU 78 2HD1 LEU 78 -10.638 -3.047 0.696 670 HD13 LEU 78 3HD1 LEU 78 -10.695 -1.760 1.904 671 HD21 LEU 78 3HD2 LEU 78 -9.226 -0.249 0.285 672 HD22 LEU 78 1HD2 LEU 78 -9.296 -1.594 -0.857 673 HD23 LEU 78 2HD2 LEU 78 -7.736 -0.952 -0.351 674 H GLU 79 H GLU 79 -5.192 -2.265 4.003 675 HA GLU 79 HA GLU 79 -5.354 -0.223 5.988 676 HB2 GLU 79 2HB GLU 79 -3.613 -2.727 5.899 677 HB3 GLU 79 3HB GLU 79 -3.737 -1.656 7.289 678 HG2 GLU 79 2HG GLU 79 -5.994 -3.290 6.099 679 HG3 GLU 79 3HG GLU 79 -5.115 -3.663 7.575 680 H VAL 80 H VAL 80 -2.938 -1.140 3.597 681 HA VAL 80 HA VAL 80 -0.816 0.548 4.383 682 HB VAL 80 HB VAL 80 -1.650 -0.484 1.631 683 HG11 VAL 80 1HG1 VAL 80 0.941 0.908 2.380 684 HG12 VAL 80 2HG1 VAL 80 -0.315 1.546 1.315 685 HG13 VAL 80 3HG1 VAL 80 0.609 0.122 0.834 686 HG21 VAL 80 3HG2 VAL 80 0.222 -2.077 1.886 687 HG22 VAL 80 1HG2 VAL 80 -0.956 -2.262 3.188 688 HG23 VAL 80 2HG2 VAL 80 0.564 -1.421 3.490 689 H ALA 81 H ALA 81 -3.586 0.985 2.205 690 HA ALA 81 HA ALA 81 -3.178 3.642 1.414 691 HB1 ALA 81 3HB ALA 81 -4.735 2.110 0.296 692 HB2 ALA 81 1HB ALA 81 -5.549 3.605 0.768 693 HB3 ALA 81 2HB ALA 81 -5.792 2.131 1.711 694 H ASN 82 H ASN 82 -4.989 2.302 4.180 695 HA ASN 82 HA ASN 82 -5.957 4.793 5.192 696 HB2 ASN 82 2HB ASN 82 -5.769 1.988 6.383 697 HB3 ASN 82 3HB ASN 82 -6.292 3.350 7.363 698 HD21 ASN 82 1HD2 ASN 82 -7.247 1.083 4.946 699 HD22 ASN 82 2HD2 ASN 82 -8.880 1.606 4.804 700 H LYS 83 H LYS 83 -3.014 2.944 5.615 701 HA LYS 83 HA LYS 83 -2.098 4.186 8.014 702 HB2 LYS 83 2HB LYS 83 -0.987 2.247 6.018 703 HB3 LYS 83 3HB LYS 83 0.215 3.197 6.865 704 HG2 LYS 83 2HG LYS 83 -1.870 1.886 8.571 705 HG3 LYS 83 3HG LYS 83 -0.709 0.815 7.790 706 HD2 LYS 83 2HD LYS 83 -0.021 1.499 10.101 707 HD3 LYS 83 3HD LYS 83 1.156 1.946 8.870 708 HE2 LYS 83 2HE LYS 83 0.238 4.277 8.909 709 HE3 LYS 83 3HE LYS 83 -0.845 3.792 10.211 710 HZ1 LYS 83 3HZ LYS 83 2.091 3.550 10.410 711 HZ2 LYS 83 1HZ LYS 83 0.949 3.468 11.649 712 HZ3 LYS 83 2HZ LYS 83 1.249 4.944 10.883 713 H ILE 84 H ILE 84 -1.183 4.589 4.593 714 HA ILE 84 HA ILE 84 0.621 6.749 4.975 715 HB ILE 84 HB ILE 84 -0.896 5.970 2.432 716 HG12 ILE 84 2HG1 ILE 84 1.931 5.089 3.188 717 HG13 ILE 84 3HG1 ILE 84 0.518 4.110 3.537 718 HG21 ILE 84 1HG2 ILE 84 0.951 7.072 1.215 719 HG22 ILE 84 2HG2 ILE 84 1.688 7.542 2.749 720 HG23 ILE 84 3HG2 ILE 84 0.123 8.209 2.282 721 HD11 ILE 84 3HD1 ILE 84 1.645 3.374 1.518 722 HD12 ILE 84 1HD1 ILE 84 1.413 4.961 0.783 723 HD13 ILE 84 2HD1 ILE 84 0.017 3.946 1.161 724 H ALA 85 H ALA 85 -2.855 6.533 4.268 725 HA ALA 85 HA ALA 85 -3.494 9.243 3.914 726 HB1 ALA 85 3HB ALA 85 -5.792 8.604 4.531 727 HB2 ALA 85 1HB ALA 85 -5.197 7.061 5.164 728 HB3 ALA 85 2HB ALA 85 -5.077 7.417 3.441 729 H ASN 86 H ASN 86 -3.236 7.261 6.838 730 HA ASN 86 HA ASN 86 -4.151 9.164 8.732 731 HB2 ASN 86 2HB ASN 86 -4.113 6.764 9.249 732 HB3 ASN 86 3HB ASN 86 -2.361 6.721 9.086 733 HD21 ASN 86 1HD2 ASN 86 -1.983 5.998 11.156 734 HD22 ASN 86 2HD2 ASN 86 -2.279 6.935 12.579 735 H GLU 87 H GLU 87 -0.869 8.268 7.632 736 HA GLU 87 HA GLU 87 0.605 9.691 9.542 737 HB2 GLU 87 2HB GLU 87 1.456 9.129 6.665 738 HB3 GLU 87 3HB GLU 87 2.528 9.547 7.997 739 HG2 GLU 87 2HG GLU 87 0.965 6.997 7.607 740 HG3 GLU 87 3HG GLU 87 2.714 7.197 7.613 741 H LEU 88 H LEU 88 -0.550 10.677 6.337 742 HA LEU 88 HA LEU 88 0.552 13.381 6.631 743 HB2 LEU 88 2HB LEU 88 -0.736 11.951 4.274 744 HB3 LEU 88 3HB LEU 88 -0.282 13.644 4.235 745 HG LEU 88 HG LEU 88 1.460 12.498 3.125 746 HD11 LEU 88 1HD1 LEU 88 2.284 14.221 4.648 747 HD12 LEU 88 2HD1 LEU 88 3.461 12.932 4.421 748 HD13 LEU 88 3HD1 LEU 88 2.519 13.009 5.914 749 HD21 LEU 88 3HD2 LEU 88 2.714 10.570 3.996 750 HD22 LEU 88 1HD2 LEU 88 0.999 10.205 3.805 751 HD23 LEU 88 2HD2 LEU 88 1.657 10.518 5.411 752 H GLY 89 H GLY 89 -2.334 11.860 7.409 753 HA2 GLY 89 2HA GLY 89 -4.353 12.667 8.132 754 HA3 GLY 89 3HA GLY 89 -3.713 14.296 7.987 755 H ALA 90 H ALA 90 -3.672 12.168 5.242 756 HA ALA 90 HA ALA 90 -5.641 13.805 3.785 757 HB1 ALA 90 3HB ALA 90 -3.649 11.728 2.791 758 HB2 ALA 90 1HB ALA 90 -3.428 13.477 2.738 759 HB3 ALA 90 2HB ALA 90 -4.694 12.722 1.772 760 H LYS 91 H LYS 91 -6.793 12.292 2.031 761 HA LYS 91 HA LYS 91 -8.455 10.452 3.552 762 HB2 LYS 91 2HB LYS 91 -9.897 10.424 1.569 763 HB3 LYS 91 3HB LYS 91 -9.515 12.074 2.045 764 HG2 LYS 91 2HG LYS 91 -7.824 12.205 0.228 765 HG3 LYS 91 3HG LYS 91 -8.237 10.554 -0.256 766 HD2 LYS 91 2HD LYS 91 -9.364 12.217 -1.696 767 HD3 LYS 91 3HD LYS 91 -10.537 11.262 -0.786 768 HE2 LYS 91 2HE LYS 91 -10.811 13.122 0.817 769 HE3 LYS 91 3HE LYS 91 -9.604 14.067 -0.059 770 HZ1 LYS 91 3HZ LYS 91 -11.063 14.022 -2.003 771 HZ2 LYS 91 1HZ LYS 91 -11.820 14.743 -0.671 772 HZ3 LYS 91 2HZ LYS 91 -12.227 13.163 -1.126 773 H GLN 92 H GLN 92 -9.201 8.469 2.281 774 HA GLN 92 HA GLN 92 -6.930 6.711 2.009 775 HB2 GLN 92 2HB GLN 92 -9.935 6.268 2.123 776 HB3 GLN 92 3HB GLN 92 -8.834 4.948 1.755 777 HG2 GLN 92 2HG GLN 92 -9.390 4.857 4.091 778 HG3 GLN 92 3HG GLN 92 -7.696 5.300 3.925 779 HE21 GLN 92 1HE2 GLN 92 -10.494 7.470 3.612 780 HE22 GLN 92 2HE2 GLN 92 -10.091 8.446 4.978 781 H SER 93 H SER 93 -8.652 4.955 0.094 782 HA SER 93 HA SER 93 -7.373 6.058 -2.331 783 HB2 SER 93 2HB SER 93 -6.691 3.667 -2.749 784 HB3 SER 93 3HB SER 93 -5.968 4.359 -1.295 785 HG SER 93 HG SER 93 -8.128 2.538 -1.482 786 H THR 94 H THR 94 -8.297 5.562 -4.277 787 HA THR 94 HA THR 94 -10.864 4.122 -4.393 788 HB THR 94 HB THR 94 -10.749 4.868 -6.864 789 HG1 THR 94 HG1 THR 94 -8.508 5.342 -6.939 790 HG21 THR 94 3HG2 THR 94 -10.776 7.069 -4.771 791 HG22 THR 94 1HG2 THR 94 -12.155 6.056 -5.206 792 HG23 THR 94 2HG2 THR 94 -11.469 7.170 -6.392 793 H THR 95 H THR 95 -10.959 2.072 -5.252 794 HA THR 95 HA THR 95 -8.377 0.795 -5.951 795 HB THR 95 HB THR 95 -9.368 -0.142 -3.925 796 HG1 THR 95 HG1 THR 95 -8.316 -1.567 -5.439 797 HG21 THR 95 3HG2 THR 95 -11.523 -1.358 -3.919 798 HG22 THR 95 1HG2 THR 95 -11.823 -0.849 -5.582 799 HG23 THR 95 2HG2 THR 95 -11.761 0.350 -4.290 800 H THR 96 H THR 96 -8.095 -0.087 -7.895 801 HA THR 96 HA THR 96 -10.322 -0.526 -9.762 802 HB THR 96 HB THR 96 -7.295 -0.618 -10.184 803 HG1 THR 96 HG1 THR 96 -8.809 1.315 -11.469 804 HG21 THR 96 3HG2 THR 96 -9.533 -0.736 -12.249 805 HG22 THR 96 1HG2 THR 96 -8.477 -2.085 -11.798 806 HG23 THR 96 2HG2 THR 96 -7.806 -0.663 -12.598 807 H THR 97 H THR 97 -11.214 -2.532 -9.588 808 HA THR 97 HA THR 97 -9.603 -4.809 -8.673 809 HB THR 97 HB THR 97 -11.657 -4.721 -7.492 810 HG1 THR 97 HG1 THR 97 -12.253 -6.644 -9.482 811 HG21 THR 97 3HG2 THR 97 -13.161 -4.564 -10.130 812 HG22 THR 97 1HG2 THR 97 -12.986 -3.261 -8.951 813 HG23 THR 97 2HG2 THR 97 -13.896 -4.712 -8.532 814 H ASP 98 H ASP 98 -8.533 -5.875 -10.170 815 HA ASP 98 HA ASP 98 -9.501 -6.153 -12.932 816 HB2 ASP 98 2HB ASP 98 -7.210 -5.358 -12.685 817 HB3 ASP 98 3HB ASP 98 -6.812 -6.694 -11.617 818 H GLY 99 H GLY 99 -9.302 -7.925 -9.988 819 HA2 GLY 99 2HA GLY 99 -10.339 -9.946 -9.477 820 HA3 GLY 99 3HA GLY 99 -10.497 -10.316 -11.193 821 H ASP 100 H ASP 100 -8.246 -10.509 -12.313 822 HA ASP 100 HA ASP 100 -6.620 -12.544 -11.233 823 HB2 ASP 100 2HB ASP 100 -6.713 -12.127 -13.648 824 HB3 ASP 100 3HB ASP 100 -6.105 -10.490 -13.433 825 H THR 101 H THR 101 -6.166 -9.056 -11.526 826 HA THR 101 HA THR 101 -4.218 -9.036 -9.291 827 HB THR 101 HB THR 101 -4.482 -6.854 -11.412 828 HG1 THR 101 HG1 THR 101 -3.990 -8.907 -12.393 829 HG21 THR 101 3HG2 THR 101 -3.193 -6.270 -9.353 830 HG22 THR 101 1HG2 THR 101 -2.159 -6.306 -10.787 831 HG23 THR 101 2HG2 THR 101 -2.129 -7.648 -9.641 832 H PHE 102 H PHE 102 -4.346 -6.919 -8.072 833 HA PHE 102 HA PHE 102 -6.947 -5.589 -8.004 834 HB2 PHE 102 2HB PHE 102 -6.950 -7.534 -6.363 835 HB3 PHE 102 3HB PHE 102 -5.632 -6.752 -5.504 836 HD1 PHE 102 HD2 PHE 102 -9.069 -5.932 -6.799 837 HD2 PHE 102 HD1 PHE 102 -6.235 -5.508 -3.609 838 HE1 PHE 102 HE2 PHE 102 -10.752 -4.758 -5.443 839 HE2 PHE 102 HE1 PHE 102 -7.930 -4.338 -2.265 840 HZ PHE 102 HZ PHE 102 -10.187 -3.964 -3.178 841 H GLU 103 H GLU 103 -6.294 -3.581 -8.410 842 HA GLU 103 HA GLU 103 -3.830 -2.506 -7.210 843 HB2 GLU 103 2HB GLU 103 -4.082 -2.428 -9.735 844 HB3 GLU 103 3HB GLU 103 -5.447 -1.337 -9.515 845 HG2 GLU 103 2HG GLU 103 -3.922 0.271 -8.342 846 HG3 GLU 103 3HG GLU 103 -2.570 -0.808 -8.689 847 H VAL 104 H VAL 104 -3.939 -0.748 -5.885 848 HA VAL 104 HA VAL 104 -6.530 0.495 -5.213 849 HB VAL 104 HB VAL 104 -4.418 -0.455 -3.185 850 HG11 VAL 104 1HG1 VAL 104 -7.153 0.775 -2.732 851 HG12 VAL 104 2HG1 VAL 104 -5.597 1.561 -2.456 852 HG13 VAL 104 3HG1 VAL 104 -6.075 0.182 -1.463 853 HG21 VAL 104 3HG2 VAL 104 -6.069 -2.142 -2.424 854 HG22 VAL 104 1HG2 VAL 104 -5.606 -2.405 -4.109 855 HG23 VAL 104 2HG2 VAL 104 -7.159 -1.661 -3.728 856 H GLU 105 H GLU 105 -6.096 2.557 -6.003 857 HA GLU 105 HA GLU 105 -3.390 3.700 -5.694 858 HB2 GLU 105 2HB GLU 105 -4.344 3.755 -7.973 859 HB3 GLU 105 3HB GLU 105 -5.740 4.657 -7.383 860 HG2 GLU 105 2HG GLU 105 -4.347 6.573 -6.832 861 HG3 GLU 105 3HG GLU 105 -2.880 5.683 -7.233 862 H VAL 106 H VAL 106 -3.049 5.042 -4.079 863 HA VAL 106 HA VAL 106 -5.246 6.192 -2.510 864 HB VAL 106 HB VAL 106 -2.280 6.345 -1.783 865 HG11 VAL 106 1HG1 VAL 106 -4.771 6.174 -0.047 866 HG12 VAL 106 2HG1 VAL 106 -3.850 7.638 -0.399 867 HG13 VAL 106 3HG1 VAL 106 -3.111 6.337 0.538 868 HG21 VAL 106 3HG2 VAL 106 -2.412 4.179 -0.609 869 HG22 VAL 106 1HG2 VAL 106 -2.663 3.983 -2.346 870 HG23 VAL 106 2HG2 VAL 106 -4.039 3.924 -1.245 871 H ILE 107 H ILE 107 -5.850 8.143 -3.433 872 HA ILE 107 HA ILE 107 -3.800 9.989 -4.449 873 HB ILE 107 HB ILE 107 -6.846 10.258 -4.511 874 HG12 ILE 107 2HG1 ILE 107 -6.426 10.046 -7.092 875 HG13 ILE 107 3HG1 ILE 107 -4.860 9.382 -6.654 876 HG21 ILE 107 1HG2 ILE 107 -5.783 12.475 -4.413 877 HG22 ILE 107 2HG2 ILE 107 -6.499 12.206 -6.003 878 HG23 ILE 107 3HG2 ILE 107 -4.754 12.061 -5.787 879 HD11 ILE 107 3HD1 ILE 107 -7.547 8.234 -5.914 880 HD12 ILE 107 1HD1 ILE 107 -5.981 7.551 -5.473 881 HD13 ILE 107 2HD1 ILE 107 -6.462 7.638 -7.168 882 H LEU 108 H LEU 108 -2.777 10.819 -2.721 883 HA LEU 108 HA LEU 108 -4.159 11.636 -0.303 884 HB2 LEU 108 2HB LEU 108 -1.277 12.067 -1.168 885 HB3 LEU 108 3HB LEU 108 -1.913 12.371 0.442 886 HG LEU 108 HG LEU 108 -1.717 9.640 -0.883 887 HD11 LEU 108 1HD1 LEU 108 0.089 9.209 0.675 888 HD12 LEU 108 2HD1 LEU 108 -0.046 10.836 1.342 889 HD13 LEU 108 3HD1 LEU 108 0.473 10.601 -0.331 890 HD21 LEU 108 3HD2 LEU 108 -3.600 9.725 0.677 891 HD22 LEU 108 1HD2 LEU 108 -2.558 10.378 1.943 892 HD23 LEU 108 2HD2 LEU 108 -2.300 8.738 1.340 893 H GLU 109 H GLU 109 -5.460 13.357 -0.655 894 HA GLU 109 HA GLU 109 -4.491 15.712 -2.115 895 HB2 GLU 109 2HB GLU 109 -7.230 15.144 -0.905 896 HB3 GLU 109 3HB GLU 109 -6.812 16.544 -1.895 897 HG2 GLU 109 2HG GLU 109 -6.227 14.925 -3.767 898 HG3 GLU 109 3HG GLU 109 -6.912 13.639 -2.776 899 H LEU 110 H LEU 110 -2.886 16.285 -0.613 900 HA LEU 110 HA LEU 110 -3.667 17.340 1.985 901 HB2 LEU 110 2HB LEU 110 -1.034 17.482 0.464 902 HB3 LEU 110 3HB LEU 110 -1.291 18.211 2.039 903 HG LEU 110 HG LEU 110 -0.189 16.203 2.550 904 HD11 LEU 110 1HD1 LEU 110 -3.123 15.523 2.847 905 HD12 LEU 110 2HD1 LEU 110 -2.162 16.519 3.950 906 HD13 LEU 110 3HD1 LEU 110 -1.776 14.814 3.748 907 HD21 LEU 110 3HD2 LEU 110 -0.259 15.132 0.361 908 HD22 LEU 110 1HD2 LEU 110 -1.955 14.702 0.598 909 HD23 LEU 110 2HD2 LEU 110 -0.705 13.987 1.624 910 H GLU 111 H GLU 111 -5.048 18.963 1.767 911 HA GLU 111 HA GLU 111 -5.835 21.053 1.565 912 HB2 GLU 111 2HB GLU 111 -3.126 21.802 0.406 913 HB3 GLU 111 3HB GLU 111 -4.344 22.928 0.996 914 HG2 GLU 111 2HG GLU 111 -3.987 22.307 3.255 915 HG3 GLU 111 3HG GLU 111 -3.093 20.851 2.810 916 H HIS 112 H HIS 112 -7.412 21.302 0.060 917 HA HIS 112 HA HIS 112 -6.870 21.205 -2.803 918 HB2 HIS 112 2HB HIS 112 -9.418 21.888 -1.269 919 HB3 HIS 112 3HB HIS 112 -9.307 21.789 -3.022 920 HD1 HIS 112 HD1 HIS 112 -10.350 19.832 -0.248 921 HD2 HIS 112 HD2 HIS 112 -8.315 18.995 -3.779 922 HE1 HIS 112 HE1 HIS 112 -10.658 17.372 -0.648 923 HE2 HIS 112 HE2 HIS 112 -9.638 16.972 -2.904 924 H HIS 113 H HIS 113 -5.187 22.945 -1.972 925 HA HIS 113 HA HIS 113 -6.233 25.688 -2.238 926 HB2 HIS 113 2HB HIS 113 -3.471 24.604 -1.487 927 HB3 HIS 113 3HB HIS 113 -3.829 26.318 -1.670 928 HD1 HIS 113 HD1 HIS 113 -2.788 25.602 1.000 929 HD2 HIS 113 HD2 HIS 113 -6.846 25.281 0.133 930 HE1 HIS 113 HE1 HIS 113 -3.974 25.716 3.210 931 HE2 HIS 113 HE2 HIS 113 -6.418 25.656 2.647 932 H HIS 114 H HIS 114 -5.599 23.321 -4.273 933 HA HIS 114 HA HIS 114 -4.225 24.907 -6.351 934 HB2 HIS 114 2HB HIS 114 -4.767 21.904 -6.163 935 HB3 HIS 114 3HB HIS 114 -3.894 22.698 -7.466 936 HD1 HIS 114 HD1 HIS 114 -1.420 22.968 -7.160 937 HD2 HIS 114 HD2 HIS 114 -3.344 21.964 -3.619 938 HE1 HIS 114 HE1 HIS 114 0.402 22.558 -5.488 939 HE2 HIS 114 HE2 HIS 114 -0.789 22.136 -3.324 940 H HIS 115 H HIS 115 -5.731 25.998 -7.523 941 HA HIS 115 HA HIS 115 -8.517 25.323 -7.477 942 HB2 HIS 115 2HB HIS 115 -7.094 27.449 -9.135 943 HB3 HIS 115 3HB HIS 115 -8.832 27.335 -8.873 944 HD1 HIS 115 HD1 HIS 115 -5.633 28.248 -7.134 945 HD2 HIS 115 HD2 HIS 115 -9.728 28.399 -6.449 946 HE1 HIS 115 HE1 HIS 115 -5.918 29.622 -5.056 947 HE2 HIS 115 HE2 HIS 115 -8.379 29.522 -4.564 948 H HIS 116 H HIS 116 -8.684 23.303 -8.453 949 HA HIS 116 HA HIS 116 -8.175 23.065 -11.361 950 HB2 HIS 116 2HB HIS 116 -8.971 20.942 -9.308 951 HB3 HIS 116 3HB HIS 116 -8.671 20.632 -11.017 952 HD1 HIS 116 HD1 HIS 116 -7.060 20.031 -8.038 953 HD2 HIS 116 HD2 HIS 116 -5.816 21.902 -11.539 954 HE1 HIS 116 HE1 HIS 116 -4.556 19.885 -8.032 955 HE2 HIS 116 HE2 HIS 116 -3.859 20.833 -10.253 956 H HIS 117 H HIS 117 -9.977 24.883 -11.005 957 HA HIS 117 HA HIS 117 -12.632 23.646 -11.460 958 HB2 HIS 117 2HB HIS 117 -12.565 25.027 -9.371 959 HB3 HIS 117 3HB HIS 117 -12.022 26.418 -10.307 960 HD1 HIS 117 HD1 HIS 117 -15.046 24.183 -9.843 961 HD2 HIS 117 HD2 HIS 117 -14.088 27.877 -11.497 962 HE1 HIS 117 HE1 HIS 117 -17.236 25.246 -10.446 963 HE2 HIS 117 HE2 HIS 117 -16.637 27.544 -11.269 Start of MODEL 12 1 H1 MET 1 1H MET 1 16.874 -12.712 -0.057 2 H2 MET 1 2H MET 1 17.816 -11.719 0.930 3 H3 MET 1 3H MET 1 17.941 -11.603 -0.752 4 HA MET 1 HA MET 1 15.542 -10.965 0.846 5 HB2 MET 1 2HB MET 1 17.485 -9.097 -0.601 6 HB3 MET 1 3HB MET 1 15.997 -8.587 0.189 7 HG2 MET 1 2HG MET 1 16.909 -9.346 2.359 8 HG3 MET 1 3HG MET 1 18.414 -9.800 1.550 9 HE1 MET 1 3HE MET 1 19.872 -8.221 3.203 10 HE2 MET 1 1HE MET 1 18.373 -7.845 4.060 11 HE3 MET 1 2HE MET 1 19.440 -6.543 3.533 12 H ALA 2 H ALA 2 14.418 -12.451 -0.554 13 HA ALA 2 HA ALA 2 13.311 -11.274 -2.925 14 HB1 ALA 2 3HB ALA 2 15.016 -13.780 -3.306 15 HB2 ALA 2 1HB ALA 2 15.400 -12.171 -3.924 16 HB3 ALA 2 2HB ALA 2 13.989 -13.036 -4.534 17 H GLY 3 H GLY 3 11.610 -12.655 -3.842 18 HA2 GLY 3 2HA GLY 3 10.713 -15.019 -2.409 19 HA3 GLY 3 3HA GLY 3 9.685 -13.594 -2.203 20 H LYS 4 H LYS 4 8.346 -15.493 -3.302 21 HA LYS 4 HA LYS 4 8.043 -14.807 -6.130 22 HB2 LYS 4 2HB LYS 4 8.078 -17.142 -6.882 23 HB3 LYS 4 3HB LYS 4 9.615 -16.726 -6.131 24 HG2 LYS 4 2HG LYS 4 8.928 -17.881 -4.057 25 HG3 LYS 4 3HG LYS 4 7.388 -18.315 -4.806 26 HD2 LYS 4 2HD LYS 4 8.606 -19.654 -6.511 27 HD3 LYS 4 3HD LYS 4 10.142 -19.211 -5.758 28 HE2 LYS 4 2HE LYS 4 9.391 -20.328 -3.666 29 HE3 LYS 4 3HE LYS 4 7.917 -20.836 -4.497 30 HZ1 LYS 4 3HZ LYS 4 10.699 -21.653 -5.086 31 HZ2 LYS 4 1HZ LYS 4 9.419 -21.964 -6.127 32 HZ3 LYS 4 2HZ LYS 4 9.417 -22.627 -4.579 33 H GLU 5 H GLU 5 6.174 -16.362 -6.975 34 HA GLU 5 HA GLU 5 4.058 -17.001 -7.039 35 HB2 GLU 5 2HB GLU 5 4.595 -18.496 -5.137 36 HB3 GLU 5 3HB GLU 5 4.131 -17.229 -4.004 37 HG2 GLU 5 2HG GLU 5 1.815 -17.335 -4.746 38 HG3 GLU 5 3HG GLU 5 2.242 -18.437 -6.053 39 H LEU 6 H LEU 6 3.983 -14.990 -4.032 40 HA LEU 6 HA LEU 6 1.809 -13.397 -5.287 41 HB2 LEU 6 2HB LEU 6 2.651 -13.390 -2.358 42 HB3 LEU 6 3HB LEU 6 1.209 -12.684 -3.054 43 HG LEU 6 HG LEU 6 0.628 -15.216 -3.688 44 HD11 LEU 6 1HD1 LEU 6 1.426 -16.845 -2.073 45 HD12 LEU 6 2HD1 LEU 6 2.450 -15.631 -1.303 46 HD13 LEU 6 3HD1 LEU 6 2.783 -16.151 -2.956 47 HD21 LEU 6 3HD2 LEU 6 -0.715 -13.799 -2.177 48 HD22 LEU 6 1HD2 LEU 6 0.344 -14.236 -0.832 49 HD23 LEU 6 2HD2 LEU 6 -0.637 -15.471 -1.630 50 H ARG 7 H ARG 7 2.880 -11.855 -6.494 51 HA ARG 7 HA ARG 7 5.248 -10.486 -5.462 52 HB2 ARG 7 2HB ARG 7 5.078 -11.211 -7.870 53 HB3 ARG 7 3HB ARG 7 3.767 -10.061 -8.094 54 HG2 ARG 7 2HG ARG 7 5.331 -8.194 -7.590 55 HG3 ARG 7 3HG ARG 7 6.641 -9.361 -7.380 56 HD2 ARG 7 2HD ARG 7 6.209 -10.110 -9.779 57 HD3 ARG 7 3HD ARG 7 5.115 -8.731 -9.924 58 HE ARG 7 HE ARG 7 7.019 -7.261 -9.565 59 HH11 ARG 7 1HH1 ARG 7 7.812 -10.590 -10.391 60 HH12 ARG 7 2HH1 ARG 7 9.392 -10.194 -10.985 61 HH21 ARG 7 1HH2 ARG 7 9.099 -6.756 -10.372 62 HH22 ARG 7 2HH2 ARG 7 10.116 -8.029 -10.973 63 H VAL 8 H VAL 8 5.002 -8.791 -4.177 64 HA VAL 8 HA VAL 8 2.634 -7.050 -4.371 65 HB VAL 8 HB VAL 8 4.837 -6.855 -2.257 66 HG11 VAL 8 1HG1 VAL 8 1.990 -5.781 -2.335 67 HG12 VAL 8 2HG1 VAL 8 3.467 -4.836 -2.544 68 HG13 VAL 8 3HG1 VAL 8 3.121 -5.595 -0.990 69 HG21 VAL 8 3HG2 VAL 8 3.419 -8.106 -0.704 70 HG22 VAL 8 1HG2 VAL 8 3.799 -9.100 -2.114 71 HG23 VAL 8 2HG2 VAL 8 2.211 -8.352 -1.965 72 H GLU 9 H GLU 9 2.864 -5.308 -5.613 73 HA GLU 9 HA GLU 9 5.467 -3.903 -5.786 74 HB2 GLU 9 2HB GLU 9 3.122 -4.016 -7.738 75 HB3 GLU 9 3HB GLU 9 4.419 -2.828 -7.870 76 HG2 GLU 9 2HG GLU 9 6.062 -4.682 -8.108 77 HG3 GLU 9 3HG GLU 9 4.736 -5.837 -8.038 78 H ILE 10 H ILE 10 5.291 -2.499 -4.015 79 HA ILE 10 HA ILE 10 2.939 -0.732 -3.852 80 HB ILE 10 HB ILE 10 5.507 -0.699 -2.183 81 HG12 ILE 10 2HG1 ILE 10 4.261 -2.817 -1.817 82 HG13 ILE 10 3HG1 ILE 10 4.233 -1.812 -0.374 83 HG21 ILE 10 1HG2 ILE 10 4.398 1.484 -2.196 84 HG22 ILE 10 2HG2 ILE 10 4.251 0.739 -0.605 85 HG23 ILE 10 3HG2 ILE 10 2.874 0.740 -1.708 86 HD11 ILE 10 3HD1 ILE 10 2.096 -2.884 -0.753 87 HD12 ILE 10 1HD1 ILE 10 1.979 -2.153 -2.353 88 HD13 ILE 10 2HD1 ILE 10 1.929 -1.134 -0.910 89 H LYS 11 H LYS 11 2.986 1.021 -5.237 90 HA LYS 11 HA LYS 11 5.599 1.830 -6.390 91 HB2 LYS 11 2HB LYS 11 3.919 0.502 -7.825 92 HB3 LYS 11 3HB LYS 11 2.903 1.937 -7.815 93 HG2 LYS 11 2HG LYS 11 4.453 3.186 -9.108 94 HG3 LYS 11 3HG LYS 11 5.782 2.081 -8.750 95 HD2 LYS 11 2HD LYS 11 3.395 1.505 -10.562 96 HD3 LYS 11 3HD LYS 11 5.064 1.773 -11.072 97 HE2 LYS 11 2HE LYS 11 5.710 -0.268 -9.716 98 HE3 LYS 11 3HE LYS 11 3.991 -0.581 -9.480 99 HZ1 LYS 11 3HZ LYS 11 5.457 -0.538 -12.066 100 HZ2 LYS 11 1HZ LYS 11 3.786 -0.734 -11.929 101 HZ3 LYS 11 2HZ LYS 11 4.831 -1.899 -11.282 102 H ILE 12 H ILE 12 6.027 3.971 -6.478 103 HA ILE 12 HA ILE 12 4.140 5.845 -5.183 104 HB ILE 12 HB ILE 12 7.198 5.953 -5.178 105 HG12 ILE 12 2HG1 ILE 12 6.459 4.054 -3.773 106 HG13 ILE 12 3HG1 ILE 12 7.160 5.330 -2.790 107 HG21 ILE 12 1HG2 ILE 12 6.211 8.174 -5.026 108 HG22 ILE 12 2HG2 ILE 12 6.949 7.738 -3.485 109 HG23 ILE 12 3HG2 ILE 12 5.195 7.669 -3.671 110 HD11 ILE 12 3HD1 ILE 12 4.916 6.034 -2.116 111 HD12 ILE 12 1HD1 ILE 12 5.242 4.347 -1.724 112 HD13 ILE 12 2HD1 ILE 12 4.223 4.744 -3.106 113 H ASP 13 H ASP 13 3.388 7.241 -6.660 114 HA ASP 13 HA ASP 13 5.142 8.249 -8.826 115 HB2 ASP 13 2HB ASP 13 2.085 8.082 -8.715 116 HB3 ASP 13 3HB ASP 13 2.991 8.855 -10.013 117 H CYS 14 H CYS 14 6.081 9.899 -7.737 118 HA CYS 14 HA CYS 14 4.553 11.934 -6.314 119 HB2 CYS 14 2HB CYS 14 6.781 11.364 -5.472 120 HB3 CYS 14 3HB CYS 14 7.514 11.751 -7.025 121 HG CYS 14 HG CYS 14 7.526 13.652 -4.567 122 H GLY 15 H GLY 15 6.279 11.547 -9.396 123 HA2 GLY 15 2HA GLY 15 4.660 13.141 -10.959 124 HA3 GLY 15 3HA GLY 15 5.892 14.233 -10.330 125 H ASN 16 H ASN 16 8.214 13.204 -10.470 126 HA ASN 16 HA ASN 16 8.649 12.679 -13.345 127 HB2 ASN 16 2HB ASN 16 10.598 13.560 -11.170 128 HB3 ASN 16 3HB ASN 16 10.987 13.409 -12.884 129 HD21 ASN 16 1HD2 ASN 16 10.951 15.669 -10.980 130 HD22 ASN 16 2HD2 ASN 16 10.029 16.906 -11.761 131 H ASP 17 H ASP 17 7.750 10.497 -11.760 132 HA ASP 17 HA ASP 17 10.038 8.778 -11.226 133 HB2 ASP 17 2HB ASP 17 7.033 8.267 -11.034 134 HB3 ASP 17 3HB ASP 17 8.271 7.086 -10.599 135 H ASP 18 H ASP 18 10.441 9.431 -13.674 136 HA ASP 18 HA ASP 18 9.564 7.658 -15.696 137 HB2 ASP 18 2HB ASP 18 12.392 8.741 -15.223 138 HB3 ASP 18 3HB ASP 18 11.827 7.993 -16.712 139 H LYS 19 H LYS 19 12.374 7.392 -13.545 140 HA LYS 19 HA LYS 19 12.394 4.522 -13.414 141 HB2 LYS 19 2HB LYS 19 14.403 6.030 -12.941 142 HB3 LYS 19 3HB LYS 19 13.606 6.574 -11.478 143 HG2 LYS 19 2HG LYS 19 14.298 3.663 -11.953 144 HG3 LYS 19 3HG LYS 19 15.452 4.790 -11.250 145 HD2 LYS 19 2HD LYS 19 13.903 5.181 -9.352 146 HD3 LYS 19 3HD LYS 19 12.738 4.062 -10.067 147 HE2 LYS 19 2HE LYS 19 15.528 3.357 -9.090 148 HE3 LYS 19 3HE LYS 19 14.010 2.953 -8.287 149 HZ1 LYS 19 3HZ LYS 19 13.412 1.637 -10.277 150 HZ2 LYS 19 1HZ LYS 19 14.795 1.062 -9.495 151 HZ3 LYS 19 2HZ LYS 19 14.942 1.948 -10.922 152 H GLU 20 H GLU 20 10.313 3.858 -12.866 153 HA GLU 20 HA GLU 20 8.620 4.990 -10.926 154 HB2 GLU 20 2HB GLU 20 7.399 2.772 -10.982 155 HB3 GLU 20 3HB GLU 20 7.644 3.511 -12.558 156 HG2 GLU 20 2HG GLU 20 9.429 1.955 -13.084 157 HG3 GLU 20 3HG GLU 20 9.388 1.289 -11.452 158 H THR 21 H THR 21 8.504 4.774 -8.725 159 HA THR 21 HA THR 21 10.698 3.386 -7.359 160 HB THR 21 HB THR 21 8.551 5.272 -6.258 161 HG1 THR 21 HG1 THR 21 9.879 6.416 -7.640 162 HG21 THR 21 3HG2 THR 21 10.015 5.519 -4.294 163 HG22 THR 21 1HG2 THR 21 11.137 4.332 -4.960 164 HG23 THR 21 2HG2 THR 21 9.509 3.838 -4.486 165 H THR 22 H THR 22 10.232 1.235 -7.068 166 HA THR 22 HA THR 22 7.498 0.453 -6.230 167 HB THR 22 HB THR 22 9.107 -1.151 -8.276 168 HG1 THR 22 HG1 THR 22 8.593 0.959 -9.119 169 HG21 THR 22 3HG2 THR 22 6.917 -2.162 -8.769 170 HG22 THR 22 1HG2 THR 22 6.151 -1.126 -7.566 171 HG23 THR 22 2HG2 THR 22 7.311 -2.360 -7.058 172 H TYR 23 H TYR 23 7.473 -0.850 -4.520 173 HA TYR 23 HA TYR 23 9.982 -2.070 -3.550 174 HB2 TYR 23 2HB TYR 23 7.483 -1.198 -2.011 175 HB3 TYR 23 3HB TYR 23 8.893 -1.972 -1.289 176 HD1 TYR 23 HD2 TYR 23 11.127 -0.776 -1.350 177 HD2 TYR 23 HD1 TYR 23 7.485 1.202 -2.423 178 HE1 TYR 23 HE2 TYR 23 12.226 1.397 -1.088 179 HE2 TYR 23 HE1 TYR 23 8.603 3.381 -2.167 180 HH TYR 23 HH TYR 23 11.984 3.679 -1.912 181 H ASP 24 H ASP 24 10.098 -4.200 -3.623 182 HA ASP 24 HA ASP 24 7.706 -5.854 -3.913 183 HB2 ASP 24 2HB ASP 24 9.264 -7.701 -4.414 184 HB3 ASP 24 3HB ASP 24 9.532 -6.329 -5.476 185 H LEU 25 H LEU 25 6.790 -6.708 -2.197 186 HA LEU 25 HA LEU 25 8.259 -6.863 0.380 187 HB2 LEU 25 2HB LEU 25 5.243 -7.008 -0.011 188 HB3 LEU 25 3HB LEU 25 6.112 -6.758 1.492 189 HG LEU 25 HG LEU 25 5.753 -4.783 -0.784 190 HD11 LEU 25 1HD1 LEU 25 4.596 -3.412 0.906 191 HD12 LEU 25 2HD1 LEU 25 4.818 -4.681 2.111 192 HD13 LEU 25 3HD1 LEU 25 3.813 -4.975 0.690 193 HD21 LEU 25 3HD2 LEU 25 7.046 -3.144 0.549 194 HD22 LEU 25 1HD2 LEU 25 8.039 -4.510 0.048 195 HD23 LEU 25 2HD2 LEU 25 7.458 -4.408 1.713 196 H TYR 26 H TYR 26 6.030 -8.592 -1.708 197 HA TYR 26 HA TYR 26 5.463 -10.692 -2.083 198 HB2 TYR 26 2HB TYR 26 8.120 -11.313 -0.776 199 HB3 TYR 26 3HB TYR 26 7.096 -12.544 -1.474 200 HD1 TYR 26 HD1 TYR 26 6.424 -12.257 -3.985 201 HD2 TYR 26 HD2 TYR 26 9.657 -10.098 -2.200 202 HE1 TYR 26 HE1 TYR 26 7.350 -11.795 -6.216 203 HE2 TYR 26 HE2 TYR 26 10.579 -9.652 -4.438 204 HH TYR 26 HH TYR 26 10.480 -10.594 -6.716 205 H PHE 27 H PHE 27 3.688 -11.201 -1.149 206 HA PHE 27 HA PHE 27 3.370 -11.320 1.756 207 HB2 PHE 27 2HB PHE 27 1.823 -9.883 0.577 208 HB3 PHE 27 3HB PHE 27 1.472 -11.115 -0.621 209 HD1 PHE 27 HD2 PHE 27 1.061 -10.405 3.051 210 HD2 PHE 27 HD1 PHE 27 -0.482 -12.385 -0.401 211 HE1 PHE 27 HE2 PHE 27 -0.923 -11.118 4.318 212 HE2 PHE 27 HE1 PHE 27 -2.451 -13.079 0.874 213 HZ PHE 27 HZ PHE 27 -2.670 -12.458 3.238 214 H SER 28 H SER 28 2.100 -13.107 2.678 215 HA SER 28 HA SER 28 1.629 -15.536 1.161 216 HB2 SER 28 2HB SER 28 2.953 -16.951 2.829 217 HB3 SER 28 3HB SER 28 3.946 -15.960 1.761 218 HG SER 28 HG SER 28 3.939 -15.986 4.399 219 H LYS 29 H LYS 29 1.940 -14.406 4.555 220 HA LYS 29 HA LYS 29 -0.911 -15.015 5.084 221 HB2 LYS 29 2HB LYS 29 1.405 -15.534 7.012 222 HB3 LYS 29 3HB LYS 29 -0.296 -15.821 7.358 223 HG2 LYS 29 2HG LYS 29 -0.369 -17.653 5.765 224 HG3 LYS 29 3HG LYS 29 1.258 -17.282 5.191 225 HD2 LYS 29 2HD LYS 29 0.593 -18.209 8.019 226 HD3 LYS 29 3HD LYS 29 1.186 -19.254 6.730 227 HE2 LYS 29 2HE LYS 29 3.280 -17.956 6.623 228 HE3 LYS 29 3HE LYS 29 2.684 -16.879 7.890 229 HZ1 LYS 29 3HZ LYS 29 4.186 -18.578 8.758 230 HZ2 LYS 29 1HZ LYS 29 3.155 -19.801 8.214 231 HZ3 LYS 29 2HZ LYS 29 2.641 -18.739 9.425 232 H ALA 30 H ALA 30 -1.419 -13.907 7.369 233 HA ALA 30 HA ALA 30 -1.315 -11.122 6.754 234 HB1 ALA 30 3HB ALA 30 -3.330 -12.192 7.669 235 HB2 ALA 30 1HB ALA 30 -2.812 -10.830 8.662 236 HB3 ALA 30 2HB ALA 30 -2.493 -12.484 9.194 237 H GLU 31 H GLU 31 0.696 -13.097 8.784 238 HA GLU 31 HA GLU 31 1.271 -11.157 10.821 239 HB2 GLU 31 2HB GLU 31 2.884 -13.620 10.051 240 HB3 GLU 31 3HB GLU 31 3.004 -12.730 11.568 241 HG2 GLU 31 2HG GLU 31 0.701 -14.418 10.582 242 HG3 GLU 31 3HG GLU 31 1.722 -14.706 11.991 243 H GLU 32 H GLU 32 2.903 -12.222 7.908 244 HA GLU 32 HA GLU 32 5.083 -10.356 8.063 245 HB2 GLU 32 2HB GLU 32 5.220 -11.028 5.460 246 HB3 GLU 32 3HB GLU 32 5.796 -12.107 6.714 247 HG2 GLU 32 2HG GLU 32 2.984 -12.374 5.673 248 HG3 GLU 32 3HG GLU 32 4.323 -13.021 4.737 249 H ALA 33 H ALA 33 1.870 -10.436 6.625 250 HA ALA 33 HA ALA 33 2.038 -8.223 4.921 251 HB1 ALA 33 3HB ALA 33 0.133 -9.805 4.991 252 HB2 ALA 33 1HB ALA 33 -0.391 -8.126 5.056 253 HB3 ALA 33 2HB ALA 33 -0.382 -9.106 6.524 254 H LYS 34 H LYS 34 1.032 -8.329 8.360 255 HA LYS 34 HA LYS 34 0.465 -5.611 8.761 256 HB2 LYS 34 2HB LYS 34 1.498 -7.690 10.746 257 HB3 LYS 34 3HB LYS 34 0.860 -6.117 11.217 258 HG2 LYS 34 2HG LYS 34 -1.347 -6.708 10.353 259 HG3 LYS 34 3HG LYS 34 -0.735 -8.254 9.764 260 HD2 LYS 34 2HD LYS 34 -0.870 -7.391 12.686 261 HD3 LYS 34 3HD LYS 34 -1.964 -8.527 11.896 262 HE2 LYS 34 2HE LYS 34 -0.075 -10.076 11.510 263 HE3 LYS 34 3HE LYS 34 1.022 -8.937 12.296 264 HZ1 LYS 34 3HZ LYS 34 -0.194 -9.225 14.357 265 HZ2 LYS 34 1HZ LYS 34 0.321 -10.728 13.783 266 HZ3 LYS 34 2HZ LYS 34 -1.297 -10.263 13.609 267 H GLU 35 H GLU 35 3.509 -7.355 8.864 268 HA GLU 35 HA GLU 35 5.040 -5.321 10.196 269 HB2 GLU 35 2HB GLU 35 5.523 -7.773 10.359 270 HB3 GLU 35 3HB GLU 35 5.995 -7.770 8.660 271 HG2 GLU 35 2HG GLU 35 7.835 -6.232 9.136 272 HG3 GLU 35 3HG GLU 35 7.334 -6.113 10.824 273 H LEU 36 H LEU 36 4.947 -6.599 6.861 274 HA LEU 36 HA LEU 36 6.724 -4.744 5.689 275 HB2 LEU 36 2HB LEU 36 4.656 -6.658 4.606 276 HB3 LEU 36 3HB LEU 36 5.308 -5.442 3.525 277 HG LEU 36 HG LEU 36 6.561 -7.417 3.127 278 HD11 LEU 36 1HD1 LEU 36 7.922 -5.399 3.123 279 HD12 LEU 36 2HD1 LEU 36 8.864 -6.797 3.625 280 HD13 LEU 36 3HD1 LEU 36 8.322 -5.630 4.830 281 HD21 LEU 36 3HD2 LEU 36 6.051 -8.723 5.132 282 HD22 LEU 36 1HD2 LEU 36 7.157 -7.730 6.089 283 HD23 LEU 36 2HD2 LEU 36 7.775 -8.744 4.776 284 H LEU 37 H LEU 37 3.272 -4.646 6.275 285 HA LEU 37 HA LEU 37 2.548 -2.300 4.888 286 HB2 LEU 37 2HB LEU 37 0.887 -3.817 5.757 287 HB3 LEU 37 3HB LEU 37 1.477 -3.664 7.391 288 HG LEU 37 HG LEU 37 0.213 -1.232 6.068 289 HD11 LEU 37 1HD1 LEU 37 -1.400 -3.054 5.649 290 HD12 LEU 37 2HD1 LEU 37 -2.021 -1.921 6.846 291 HD13 LEU 37 3HD1 LEU 37 -1.378 -3.484 7.363 292 HD21 LEU 37 3HD2 LEU 37 0.261 -2.225 8.948 293 HD22 LEU 37 1HD2 LEU 37 -0.506 -0.729 8.390 294 HD23 LEU 37 2HD2 LEU 37 1.241 -0.918 8.284 295 H LYS 38 H LYS 38 3.726 -2.826 8.187 296 HA LYS 38 HA LYS 38 3.594 -0.142 9.105 297 HB2 LYS 38 2HB LYS 38 3.626 -2.252 10.501 298 HB3 LYS 38 3HB LYS 38 5.340 -2.413 10.142 299 HG2 LYS 38 2HG LYS 38 5.804 -0.316 11.311 300 HG3 LYS 38 3HG LYS 38 4.083 -0.067 11.605 301 HD2 LYS 38 2HD LYS 38 5.661 -2.438 12.686 302 HD3 LYS 38 3HD LYS 38 5.401 -0.946 13.582 303 HE2 LYS 38 2HE LYS 38 3.820 -2.634 14.333 304 HE3 LYS 38 3HE LYS 38 2.942 -1.350 13.505 305 HZ1 LYS 38 3HZ LYS 38 3.703 -3.922 12.224 306 HZ2 LYS 38 1HZ LYS 38 2.666 -2.739 11.607 307 HZ3 LYS 38 2HZ LYS 38 2.208 -3.642 12.957 308 H LYS 39 H LYS 39 6.065 -2.047 7.496 309 HA LYS 39 HA LYS 39 8.225 -0.195 7.698 310 HB2 LYS 39 2HB LYS 39 7.700 -2.433 5.688 311 HB3 LYS 39 3HB LYS 39 9.207 -1.523 5.782 312 HG2 LYS 39 2HG LYS 39 9.641 -2.372 8.025 313 HG3 LYS 39 3HG LYS 39 8.084 -3.208 8.044 314 HD2 LYS 39 2HD LYS 39 8.849 -4.597 6.106 315 HD3 LYS 39 3HD LYS 39 10.424 -3.807 6.184 316 HE2 LYS 39 2HE LYS 39 9.197 -5.464 8.415 317 HE3 LYS 39 3HE LYS 39 10.397 -6.045 7.262 318 HZ1 LYS 39 3HZ LYS 39 10.817 -3.800 9.158 319 HZ2 LYS 39 1HZ LYS 39 11.965 -4.445 8.098 320 HZ3 LYS 39 2HZ LYS 39 11.378 -5.374 9.378 321 H VAL 40 H VAL 40 5.751 -0.805 5.172 322 HA VAL 40 HA VAL 40 6.638 1.161 3.323 323 HB VAL 40 HB VAL 40 3.881 -0.121 3.673 324 HG11 VAL 40 1HG1 VAL 40 3.556 2.045 2.538 325 HG12 VAL 40 2HG1 VAL 40 3.298 0.710 1.416 326 HG13 VAL 40 3HG1 VAL 40 4.803 1.632 1.358 327 HG21 VAL 40 3HG2 VAL 40 4.512 -1.453 1.699 328 HG22 VAL 40 1HG2 VAL 40 5.688 -1.660 2.997 329 HG23 VAL 40 2HG2 VAL 40 6.069 -0.625 1.622 330 H ALA 41 H ALA 41 4.574 1.335 6.161 331 HA ALA 41 HA ALA 41 3.347 3.807 5.933 332 HB1 ALA 41 3HB ALA 41 3.217 3.840 8.377 333 HB2 ALA 41 1HB ALA 41 4.485 2.611 8.480 334 HB3 ALA 41 2HB ALA 41 2.922 2.208 7.774 335 H GLU 42 H GLU 42 6.567 3.148 7.351 336 HA GLU 42 HA GLU 42 7.177 5.925 7.767 337 HB2 GLU 42 2HB GLU 42 9.416 5.136 8.468 338 HB3 GLU 42 3HB GLU 42 8.125 4.251 9.273 339 HG2 GLU 42 2HG GLU 42 8.478 2.318 7.864 340 HG3 GLU 42 3HG GLU 42 9.622 3.200 6.857 341 H LYS 43 H LYS 43 7.932 3.560 5.228 342 HA LYS 43 HA LYS 43 10.019 4.958 3.919 343 HB2 LYS 43 2HB LYS 43 8.015 2.976 2.739 344 HB3 LYS 43 3HB LYS 43 9.460 3.539 1.902 345 HG2 LYS 43 2HG LYS 43 10.898 2.458 3.539 346 HG3 LYS 43 3HG LYS 43 9.504 2.003 4.522 347 HD2 LYS 43 2HD LYS 43 8.683 0.666 2.468 348 HD3 LYS 43 3HD LYS 43 10.290 0.927 1.782 349 HE2 LYS 43 2HE LYS 43 9.675 -0.496 4.394 350 HE3 LYS 43 3HE LYS 43 10.119 -1.273 2.878 351 HZ1 LYS 43 3HZ LYS 43 11.844 0.582 4.418 352 HZ2 LYS 43 1HZ LYS 43 12.272 -0.208 2.996 353 HZ3 LYS 43 2HZ LYS 43 11.985 -1.102 4.405 354 H ALA 44 H ALA 44 6.513 4.841 3.194 355 HA ALA 44 HA ALA 44 6.664 6.543 0.898 356 HB1 ALA 44 3HB ALA 44 4.937 4.805 1.118 357 HB2 ALA 44 1HB ALA 44 4.207 6.395 0.886 358 HB3 ALA 44 2HB ALA 44 4.231 5.658 2.491 359 H ALA 45 H ALA 45 5.680 7.017 4.284 360 HA ALA 45 HA ALA 45 4.746 9.655 4.148 361 HB1 ALA 45 3HB ALA 45 4.401 8.201 6.097 362 HB2 ALA 45 1HB ALA 45 5.114 9.744 6.576 363 HB3 ALA 45 2HB ALA 45 6.120 8.293 6.483 364 H ASP 46 H ASP 46 8.010 8.419 4.240 365 HA ASP 46 HA ASP 46 9.439 10.771 4.921 366 HB2 ASP 46 2HB ASP 46 10.422 8.525 5.098 367 HB3 ASP 46 3HB ASP 46 10.303 8.299 3.362 368 H LYS 47 H LYS 47 8.513 9.364 1.734 369 HA LYS 47 HA LYS 47 9.773 11.336 0.119 370 HB2 LYS 47 2HB LYS 47 7.264 9.735 -0.545 371 HB3 LYS 47 3HB LYS 47 8.120 10.756 -1.686 372 HG2 LYS 47 2HG LYS 47 8.842 8.642 -2.275 373 HG3 LYS 47 3HG LYS 47 10.151 9.192 -1.225 374 HD2 LYS 47 2HD LYS 47 9.342 7.860 0.605 375 HD3 LYS 47 3HD LYS 47 7.839 7.490 -0.245 376 HE2 LYS 47 2HE LYS 47 9.392 5.579 -0.250 377 HE3 LYS 47 3HE LYS 47 9.073 6.151 -1.889 378 HZ1 LYS 47 3HZ LYS 47 11.419 5.664 -1.509 379 HZ2 LYS 47 1HZ LYS 47 11.476 6.820 -0.279 380 HZ3 LYS 47 2HZ LYS 47 11.188 7.296 -1.868 381 H ILE 48 H ILE 48 6.542 11.072 1.510 382 HA ILE 48 HA ILE 48 5.327 13.372 0.433 383 HB ILE 48 HB ILE 48 4.722 11.946 3.069 384 HG12 ILE 48 2HG1 ILE 48 3.400 11.503 0.351 385 HG13 ILE 48 3HG1 ILE 48 4.709 10.505 0.966 386 HG21 ILE 48 1HG2 ILE 48 2.919 13.771 1.430 387 HG22 ILE 48 2HG2 ILE 48 3.649 14.167 2.987 388 HG23 ILE 48 3HG2 ILE 48 2.445 12.884 2.881 389 HD11 ILE 48 3HD1 ILE 48 2.599 9.417 1.297 390 HD12 ILE 48 1HD1 ILE 48 1.978 10.799 2.200 391 HD13 ILE 48 2HD1 ILE 48 3.307 9.837 2.856 392 H LYS 49 H LYS 49 7.389 12.874 3.201 393 HA LYS 49 HA LYS 49 6.967 15.392 4.506 394 HB2 LYS 49 2HB LYS 49 7.660 13.365 5.712 395 HB3 LYS 49 3HB LYS 49 9.147 13.287 4.775 396 HG2 LYS 49 2HG LYS 49 9.987 15.305 5.834 397 HG3 LYS 49 3HG LYS 49 8.450 15.547 6.679 398 HD2 LYS 49 2HD LYS 49 8.780 13.461 7.939 399 HD3 LYS 49 3HD LYS 49 10.265 13.128 7.049 400 HE2 LYS 49 2HE LYS 49 11.331 15.087 8.052 401 HE3 LYS 49 3HE LYS 49 9.832 15.492 8.894 402 HZ1 LYS 49 3HZ LYS 49 9.986 13.402 10.106 403 HZ2 LYS 49 1HZ LYS 49 11.367 14.329 10.354 404 HZ3 LYS 49 2HZ LYS 49 11.419 13.005 9.302 405 H LYS 50 H LYS 50 9.504 14.055 2.368 406 HA LYS 50 HA LYS 50 11.135 16.448 2.502 407 HB2 LYS 50 2HB LYS 50 11.405 13.930 0.810 408 HB3 LYS 50 3HB LYS 50 12.593 15.230 0.853 409 HG2 LYS 50 2HG LYS 50 12.878 14.811 3.318 410 HG3 LYS 50 3HG LYS 50 11.799 13.419 3.163 411 HD2 LYS 50 2HD LYS 50 13.377 12.351 1.594 412 HD3 LYS 50 3HD LYS 50 14.434 13.765 1.669 413 HE2 LYS 50 2HE LYS 50 14.800 13.336 4.088 414 HE3 LYS 50 3HE LYS 50 13.777 11.899 3.974 415 HZ1 LYS 50 3HZ LYS 50 15.343 10.977 2.372 416 HZ2 LYS 50 1HZ LYS 50 16.104 11.318 3.834 417 HZ3 LYS 50 2HZ LYS 50 16.325 12.344 2.512 418 H GLN 51 H GLN 51 8.630 15.264 0.379 419 HA GLN 51 HA GLN 51 8.836 17.583 -1.387 420 HB2 GLN 51 2HB GLN 51 10.421 15.983 -2.433 421 HB3 GLN 51 3HB GLN 51 9.180 14.734 -2.461 422 HG2 GLN 51 2HG GLN 51 7.859 16.054 -4.060 423 HG3 GLN 51 3HG GLN 51 9.050 17.354 -3.995 424 HE21 GLN 51 1HE2 GLN 51 9.436 17.222 -6.227 425 HE22 GLN 51 2HE2 GLN 51 10.296 15.913 -6.955 426 H GLY 52 H GLY 52 7.359 14.325 -1.652 427 HA2 GLY 52 2HA GLY 52 4.817 14.645 -0.802 428 HA3 GLY 52 3HA GLY 52 4.776 15.429 -2.381 429 H CYS 53 H CYS 53 3.301 13.103 -1.646 430 HA CYS 53 HA CYS 53 4.021 11.542 -4.037 431 HB2 CYS 53 2HB CYS 53 3.076 10.301 -1.410 432 HB3 CYS 53 3HB CYS 53 3.242 9.442 -2.941 433 HG CYS 53 HG CYS 53 6.114 10.689 -2.605 434 H LYS 54 H LYS 54 2.479 12.736 -5.145 435 HA LYS 54 HA LYS 54 -0.138 13.308 -4.204 436 HB2 LYS 54 2HB LYS 54 -0.626 13.964 -6.557 437 HB3 LYS 54 3HB LYS 54 0.860 14.681 -5.944 438 HG2 LYS 54 2HG LYS 54 2.215 13.129 -7.199 439 HG3 LYS 54 3HG LYS 54 0.797 12.202 -7.689 440 HD2 LYS 54 2HD LYS 54 1.293 15.099 -8.449 441 HD3 LYS 54 3HD LYS 54 1.707 13.720 -9.469 442 HE2 LYS 54 2HE LYS 54 -0.701 13.078 -9.519 443 HE3 LYS 54 3HE LYS 54 -1.079 14.515 -8.562 444 HZ1 LYS 54 3HZ LYS 54 0.181 14.520 -11.257 445 HZ2 LYS 54 1HZ LYS 54 -0.194 15.892 -10.346 446 HZ3 LYS 54 2HZ LYS 54 -1.431 14.903 -10.929 447 H ARG 55 H ARG 55 1.209 10.662 -6.070 448 HA ARG 55 HA ARG 55 -1.303 9.123 -5.810 449 HB2 ARG 55 2HB ARG 55 0.549 9.234 -8.249 450 HB3 ARG 55 3HB ARG 55 -0.763 8.078 -8.052 451 HG2 ARG 55 2HG ARG 55 -1.118 11.089 -8.182 452 HG3 ARG 55 3HG ARG 55 -1.350 9.983 -9.536 453 HD2 ARG 55 2HD ARG 55 -3.216 8.899 -8.386 454 HD3 ARG 55 3HD ARG 55 -2.924 9.869 -6.940 455 HE ARG 55 HE ARG 55 -3.675 11.805 -8.104 456 HH11 ARG 55 1HH1 ARG 55 -4.302 8.818 -9.864 457 HH12 ARG 55 2HH1 ARG 55 -5.537 9.530 -10.849 458 HH21 ARG 55 1HH2 ARG 55 -5.318 12.698 -9.373 459 HH22 ARG 55 2HH2 ARG 55 -6.111 11.724 -10.565 460 H VAL 56 H VAL 56 -0.941 7.277 -4.761 461 HA VAL 56 HA VAL 56 1.669 5.871 -5.019 462 HB VAL 56 HB VAL 56 -0.156 6.040 -2.543 463 HG11 VAL 56 1HG1 VAL 56 1.451 4.566 -1.386 464 HG12 VAL 56 2HG1 VAL 56 2.342 4.349 -2.895 465 HG13 VAL 56 3HG1 VAL 56 0.686 3.754 -2.752 466 HG21 VAL 56 3HG2 VAL 56 1.297 8.009 -2.798 467 HG22 VAL 56 1HG2 VAL 56 2.717 6.963 -2.879 468 HG23 VAL 56 2HG2 VAL 56 1.767 7.051 -1.391 469 H LYS 57 H LYS 57 1.256 3.965 -6.117 470 HA LYS 57 HA LYS 57 -1.520 2.904 -6.130 471 HB2 LYS 57 2HB LYS 57 0.614 2.925 -8.306 472 HB3 LYS 57 3HB LYS 57 -0.884 2.011 -8.428 473 HG2 LYS 57 2HG LYS 57 -2.097 3.840 -9.031 474 HG3 LYS 57 3HG LYS 57 -1.403 4.834 -7.752 475 HD2 LYS 57 2HD LYS 57 -0.931 5.747 -10.001 476 HD3 LYS 57 3HD LYS 57 0.547 5.327 -9.132 477 HE2 LYS 57 2HE LYS 57 0.617 3.177 -10.440 478 HE3 LYS 57 3HE LYS 57 -0.769 3.755 -11.367 479 HZ1 LYS 57 3HZ LYS 57 0.540 5.650 -12.085 480 HZ2 LYS 57 1HZ LYS 57 1.310 4.202 -12.517 481 HZ3 LYS 57 2HZ LYS 57 1.875 5.108 -11.208 482 H ILE 58 H ILE 58 -1.726 1.035 -5.170 483 HA ILE 58 HA ILE 58 0.557 -0.750 -4.645 484 HB ILE 58 HB ILE 58 -2.292 -0.708 -3.513 485 HG12 ILE 58 2HG1 ILE 58 0.292 0.143 -2.131 486 HG13 ILE 58 3HG1 ILE 58 -0.869 1.260 -2.835 487 HG21 ILE 58 1HG2 ILE 58 -1.486 -2.345 -1.834 488 HG22 ILE 58 2HG2 ILE 58 0.063 -2.431 -2.671 489 HG23 ILE 58 3HG2 ILE 58 -1.406 -2.986 -3.476 490 HD11 ILE 58 3HD1 ILE 58 -2.560 0.509 -1.241 491 HD12 ILE 58 1HD1 ILE 58 -1.118 1.137 -0.445 492 HD13 ILE 58 2HD1 ILE 58 -1.388 -0.603 -0.522 493 H ARG 59 H ARG 59 0.779 -2.205 -6.232 494 HA ARG 59 HA ARG 59 -1.585 -3.402 -7.553 495 HB2 ARG 59 2HB ARG 59 -0.028 -2.106 -9.052 496 HB3 ARG 59 3HB ARG 59 1.279 -3.201 -8.612 497 HG2 ARG 59 2HG ARG 59 0.214 -5.056 -9.698 498 HG3 ARG 59 3HG ARG 59 -1.294 -4.161 -9.892 499 HD2 ARG 59 2HD ARG 59 -0.249 -4.224 -12.030 500 HD3 ARG 59 3HD ARG 59 -0.046 -2.579 -11.427 501 HE ARG 59 HE ARG 59 2.233 -4.165 -10.799 502 HH11 ARG 59 1HH1 ARG 59 0.681 -2.552 -13.536 503 HH12 ARG 59 2HH1 ARG 59 2.167 -2.371 -14.411 504 HH21 ARG 59 1HH2 ARG 59 4.158 -3.946 -12.012 505 HH22 ARG 59 2HH2 ARG 59 4.124 -3.150 -13.560 506 H PHE 60 H PHE 60 -1.886 -5.518 -7.216 507 HA PHE 60 HA PHE 60 0.245 -7.294 -6.326 508 HB2 PHE 60 2HB PHE 60 -0.525 -6.197 -4.214 509 HB3 PHE 60 3HB PHE 60 -2.188 -6.684 -4.562 510 HD1 PHE 60 HD2 PHE 60 1.228 -8.158 -4.052 511 HD2 PHE 60 HD1 PHE 60 -2.983 -8.734 -3.706 512 HE1 PHE 60 HE2 PHE 60 1.602 -10.351 -2.995 513 HE2 PHE 60 HE1 PHE 60 -2.601 -10.917 -2.646 514 HZ PHE 60 HZ PHE 60 -0.310 -11.730 -2.290 515 H GLU 61 H GLU 61 -0.269 -9.472 -6.703 516 HA GLU 61 HA GLU 61 -2.226 -9.945 -8.778 517 HB2 GLU 61 2HB GLU 61 -0.384 -11.913 -7.352 518 HB3 GLU 61 3HB GLU 61 -1.260 -12.222 -8.854 519 HG2 GLU 61 2HG GLU 61 0.057 -10.424 -9.961 520 HG3 GLU 61 3HG GLU 61 0.943 -10.181 -8.452 521 H LYS 62 H LYS 62 -3.957 -11.444 -8.724 522 HA LYS 62 HA LYS 62 -4.635 -12.752 -6.140 523 HB2 LYS 62 2HB LYS 62 -6.534 -11.783 -8.331 524 HB3 LYS 62 3HB LYS 62 -7.027 -12.864 -7.045 525 HG2 LYS 62 2HG LYS 62 -5.944 -10.086 -6.520 526 HG3 LYS 62 3HG LYS 62 -7.652 -10.410 -6.804 527 HD2 LYS 62 2HD LYS 62 -7.610 -10.442 -4.489 528 HD3 LYS 62 3HD LYS 62 -7.346 -12.155 -4.821 529 HE2 LYS 62 2HE LYS 62 -5.856 -11.381 -3.053 530 HE3 LYS 62 3HE LYS 62 -4.914 -11.819 -4.480 531 HZ1 LYS 62 3HZ LYS 62 -5.704 -9.031 -3.830 532 HZ2 LYS 62 1HZ LYS 62 -4.598 -9.545 -5.001 533 HZ3 LYS 62 2HZ LYS 62 -4.239 -9.730 -3.360 534 H LYS 63 H LYS 63 -6.054 -13.402 -9.323 535 HA LYS 63 HA LYS 63 -5.790 -14.896 -10.943 536 HB2 LYS 63 2HB LYS 63 -3.488 -14.092 -11.056 537 HB3 LYS 63 3HB LYS 63 -2.997 -15.221 -9.798 538 HG2 LYS 63 2HG LYS 63 -3.350 -17.117 -11.281 539 HG3 LYS 63 3HG LYS 63 -4.062 -16.067 -12.513 540 HD2 LYS 63 2HD LYS 63 -1.717 -16.673 -13.066 541 HD3 LYS 63 3HD LYS 63 -1.912 -14.932 -12.851 542 HE2 LYS 63 2HE LYS 63 -1.023 -15.195 -10.505 543 HE3 LYS 63 3HE LYS 63 -0.707 -16.893 -10.869 544 HZ1 LYS 63 3HZ LYS 63 1.273 -15.529 -11.147 545 HZ2 LYS 63 1HZ LYS 63 0.483 -14.571 -12.292 546 HZ3 LYS 63 2HZ LYS 63 0.803 -16.196 -12.628 547 H GLY 64 H GLY 64 -3.908 -16.635 -8.431 548 HA2 GLY 64 2HA GLY 64 -6.032 -18.624 -8.117 549 HA3 GLY 64 3HA GLY 64 -4.556 -19.180 -8.896 550 H LEU 65 H LEU 65 -4.408 -16.739 -6.346 551 HA LEU 65 HA LEU 65 -3.002 -18.591 -4.593 552 HB2 LEU 65 2HB LEU 65 -3.059 -16.585 -2.943 553 HB3 LEU 65 3HB LEU 65 -2.090 -16.448 -4.397 554 HG LEU 65 HG LEU 65 -4.001 -15.078 -5.416 555 HD11 LEU 65 1HD1 LEU 65 -5.578 -13.983 -3.912 556 HD12 LEU 65 2HD1 LEU 65 -5.005 -14.978 -2.570 557 HD13 LEU 65 3HD1 LEU 65 -5.818 -15.727 -3.945 558 HD21 LEU 65 3HD2 LEU 65 -3.352 -12.991 -4.318 559 HD22 LEU 65 1HD2 LEU 65 -1.946 -14.015 -4.600 560 HD23 LEU 65 2HD2 LEU 65 -2.637 -13.895 -2.980 561 H ASP 66 H ASP 66 -3.697 -18.692 -2.232 562 HA ASP 66 HA ASP 66 -6.182 -20.056 -2.080 563 HB2 ASP 66 2HB ASP 66 -4.185 -20.596 -0.680 564 HB3 ASP 66 3HB ASP 66 -4.357 -19.056 0.155 565 H ASP 67 H ASP 67 -8.110 -19.467 -0.918 566 HA ASP 67 HA ASP 67 -9.063 -16.866 -1.346 567 HB2 ASP 67 2HB ASP 67 -10.670 -18.661 -1.249 568 HB3 ASP 67 3HB ASP 67 -10.198 -19.100 0.389 569 H ASP 68 H ASP 68 -7.511 -18.238 1.471 570 HA ASP 68 HA ASP 68 -8.241 -16.208 3.352 571 HB2 ASP 68 2HB ASP 68 -7.425 -18.422 4.106 572 HB3 ASP 68 3HB ASP 68 -5.848 -18.115 3.374 573 H ALA 69 H ALA 69 -5.404 -16.807 1.288 574 HA ALA 69 HA ALA 69 -3.931 -14.476 1.899 575 HB1 ALA 69 3HB ALA 69 -2.942 -16.421 0.744 576 HB2 ALA 69 1HB ALA 69 -2.692 -14.939 -0.177 577 HB3 ALA 69 2HB ALA 69 -3.931 -16.092 -0.681 578 H ARG 70 H ARG 70 -6.568 -15.065 -0.378 579 HA ARG 70 HA ARG 70 -6.450 -12.628 -1.835 580 HB2 ARG 70 2HB ARG 70 -7.707 -14.523 -2.725 581 HB3 ARG 70 3HB ARG 70 -8.759 -14.556 -1.316 582 HG2 ARG 70 2HG ARG 70 -9.862 -12.531 -1.977 583 HG3 ARG 70 3HG ARG 70 -8.651 -12.195 -3.212 584 HD2 ARG 70 2HD ARG 70 -10.683 -12.992 -4.260 585 HD3 ARG 70 3HD ARG 70 -9.406 -14.187 -4.475 586 HE ARG 70 HE ARG 70 -10.951 -14.841 -2.190 587 HH11 ARG 70 1HH1 ARG 70 -11.141 -14.862 -5.722 588 HH12 ARG 70 2HH1 ARG 70 -12.309 -16.148 -5.767 589 HH21 ARG 70 1HH2 ARG 70 -12.566 -16.469 -2.291 590 HH22 ARG 70 2HH2 ARG 70 -13.109 -17.050 -3.820 591 H LYS 71 H LYS 71 -8.291 -13.658 1.002 592 HA LYS 71 HA LYS 71 -9.861 -11.271 1.215 593 HB2 LYS 71 2HB LYS 71 -10.630 -13.565 1.881 594 HB3 LYS 71 3HB LYS 71 -9.494 -13.528 3.226 595 HG2 LYS 71 2HG LYS 71 -10.685 -11.637 4.224 596 HG3 LYS 71 3HG LYS 71 -11.785 -11.569 2.842 597 HD2 LYS 71 2HD LYS 71 -11.517 -13.891 4.791 598 HD3 LYS 71 3HD LYS 71 -12.822 -12.707 4.775 599 HE2 LYS 71 2HE LYS 71 -13.483 -13.493 2.509 600 HE3 LYS 71 3HE LYS 71 -12.198 -14.702 2.567 601 HZ1 LYS 71 3HZ LYS 71 -13.276 -15.748 4.430 602 HZ2 LYS 71 1HZ LYS 71 -14.382 -15.604 3.170 603 HZ3 LYS 71 2HZ LYS 71 -14.462 -14.553 4.489 604 H LYS 72 H LYS 72 -6.901 -12.480 2.711 605 HA LYS 72 HA LYS 72 -6.656 -10.443 4.707 606 HB2 LYS 72 2HB LYS 72 -4.579 -12.265 3.428 607 HB3 LYS 72 3HB LYS 72 -4.174 -11.101 4.679 608 HG2 LYS 72 2HG LYS 72 -5.997 -13.504 4.965 609 HG3 LYS 72 3HG LYS 72 -4.382 -13.302 5.650 610 HD2 LYS 72 2HD LYS 72 -5.338 -11.284 6.934 611 HD3 LYS 72 3HD LYS 72 -6.936 -11.843 6.425 612 HE2 LYS 72 2HE LYS 72 -4.937 -13.334 8.157 613 HE3 LYS 72 3HE LYS 72 -6.492 -12.672 8.655 614 HZ1 LYS 72 3HZ LYS 72 -6.071 -14.921 6.762 615 HZ2 LYS 72 1HZ LYS 72 -7.570 -14.267 7.184 616 HZ3 LYS 72 2HZ LYS 72 -6.629 -15.034 8.352 617 H ALA 73 H ALA 73 -5.255 -10.901 1.454 618 HA ALA 73 HA ALA 73 -3.612 -8.580 1.478 619 HB1 ALA 73 3HB ALA 73 -3.153 -10.536 0.061 620 HB2 ALA 73 1HB ALA 73 -3.234 -9.056 -0.894 621 HB3 ALA 73 2HB ALA 73 -4.588 -10.193 -0.907 622 H LYS 74 H LYS 74 -6.931 -9.102 0.377 623 HA LYS 74 HA LYS 74 -7.142 -6.687 -1.140 624 HB2 LYS 74 2HB LYS 74 -9.532 -7.097 -1.257 625 HB3 LYS 74 3HB LYS 74 -8.674 -8.609 -1.523 626 HG2 LYS 74 2HG LYS 74 -9.187 -9.324 0.773 627 HG3 LYS 74 3HG LYS 74 -10.016 -7.799 1.081 628 HD2 LYS 74 2HD LYS 74 -10.851 -9.874 -0.990 629 HD3 LYS 74 3HD LYS 74 -11.602 -9.647 0.590 630 HE2 LYS 74 2HE LYS 74 -12.309 -7.381 -0.052 631 HE3 LYS 74 3HE LYS 74 -11.527 -7.568 -1.624 632 HZ1 LYS 74 3HZ LYS 74 -13.886 -7.980 -1.791 633 HZ2 LYS 74 1HZ LYS 74 -13.806 -9.181 -0.610 634 HZ3 LYS 74 2HZ LYS 74 -13.043 -9.412 -2.096 635 H LYS 75 H LYS 75 -7.927 -7.599 2.170 636 HA LYS 75 HA LYS 75 -9.006 -5.098 3.038 637 HB2 LYS 75 2HB LYS 75 -9.527 -7.247 4.141 638 HB3 LYS 75 3HB LYS 75 -7.835 -7.473 4.557 639 HG2 LYS 75 2HG LYS 75 -7.953 -5.507 6.069 640 HG3 LYS 75 3HG LYS 75 -9.658 -5.302 5.657 641 HD2 LYS 75 2HD LYS 75 -8.434 -7.732 7.031 642 HD3 LYS 75 3HD LYS 75 -9.382 -6.472 7.821 643 HE2 LYS 75 2HE LYS 75 -11.349 -7.114 6.461 644 HE3 LYS 75 3HE LYS 75 -10.398 -8.385 5.690 645 HZ1 LYS 75 3HZ LYS 75 -10.991 -8.221 8.600 646 HZ2 LYS 75 1HZ LYS 75 -10.148 -9.467 7.822 647 HZ3 LYS 75 2HZ LYS 75 -11.789 -9.222 7.497 648 H TRP 76 H TRP 76 -5.876 -6.637 3.029 649 HA TRP 76 HA TRP 76 -4.439 -4.993 4.806 650 HB2 TRP 76 2HB TRP 76 -3.610 -7.196 4.344 651 HB3 TRP 76 3HB TRP 76 -3.613 -6.928 2.605 652 HD1 TRP 76 HD1 TRP 76 -1.646 -5.768 5.751 653 HE1 TRP 76 HE1 TRP 76 0.732 -5.185 5.020 654 HE3 TRP 76 HE3 TRP 76 -2.145 -6.381 0.699 655 HZ2 TRP 76 HZ2 TRP 76 2.219 -4.996 2.673 656 HZ3 TRP 76 HZ3 TRP 76 -0.183 -5.962 -0.734 657 HH2 TRP 76 HH2 TRP 76 1.957 -5.279 0.244 658 H ALA 77 H ALA 77 -4.633 -4.983 1.220 659 HA ALA 77 HA ALA 77 -2.760 -2.907 0.786 660 HB1 ALA 77 3HB ALA 77 -3.449 -4.476 -0.975 661 HB2 ALA 77 1HB ALA 77 -3.683 -2.805 -1.491 662 HB3 ALA 77 2HB ALA 77 -5.069 -3.773 -0.981 663 H LEU 78 H LEU 78 -6.211 -2.863 1.458 664 HA LEU 78 HA LEU 78 -6.668 -0.066 1.090 665 HB2 LEU 78 2HB LEU 78 -8.153 -2.097 2.801 666 HB3 LEU 78 3HB LEU 78 -8.732 -0.471 2.469 667 HG LEU 78 HG LEU 78 -8.347 -2.677 0.410 668 HD11 LEU 78 1HD1 LEU 78 -10.789 -2.687 0.237 669 HD12 LEU 78 2HD1 LEU 78 -10.901 -1.486 1.525 670 HD13 LEU 78 3HD1 LEU 78 -10.264 -3.096 1.870 671 HD21 LEU 78 3HD2 LEU 78 -9.417 -1.134 -1.180 672 HD22 LEU 78 1HD2 LEU 78 -7.886 -0.499 -0.585 673 HD23 LEU 78 2HD2 LEU 78 -9.409 0.141 0.041 674 H GLU 79 H GLU 79 -5.751 -2.095 3.860 675 HA GLU 79 HA GLU 79 -5.780 -0.052 5.839 676 HB2 GLU 79 2HB GLU 79 -4.327 -2.733 5.827 677 HB3 GLU 79 3HB GLU 79 -4.395 -1.650 7.216 678 HG2 GLU 79 2HG GLU 79 -6.908 -1.837 7.142 679 HG3 GLU 79 3HG GLU 79 -6.716 -3.076 5.904 680 H VAL 80 H VAL 80 -3.281 -1.185 3.606 681 HA VAL 80 HA VAL 80 -1.065 0.273 4.657 682 HB VAL 80 HB VAL 80 -1.593 -0.622 1.763 683 HG11 VAL 80 1HG1 VAL 80 1.034 0.267 3.023 684 HG12 VAL 80 2HG1 VAL 80 0.115 1.155 1.804 685 HG13 VAL 80 3HG1 VAL 80 0.847 -0.398 1.398 686 HG21 VAL 80 3HG2 VAL 80 -0.107 -2.521 2.246 687 HG22 VAL 80 1HG2 VAL 80 -1.500 -2.517 3.327 688 HG23 VAL 80 2HG2 VAL 80 0.067 -1.967 3.914 689 H ALA 81 H ALA 81 -3.465 0.903 2.144 690 HA ALA 81 HA ALA 81 -2.708 3.386 1.186 691 HB1 ALA 81 3HB ALA 81 -4.452 1.956 0.184 692 HB2 ALA 81 1HB ALA 81 -5.051 3.593 0.447 693 HB3 ALA 81 2HB ALA 81 -5.526 2.294 1.542 694 H ASN 82 H ASN 82 -5.004 2.692 3.819 695 HA ASN 82 HA ASN 82 -5.336 5.439 4.600 696 HB2 ASN 82 2HB ASN 82 -6.274 2.810 5.817 697 HB3 ASN 82 3HB ASN 82 -6.584 4.362 6.594 698 HD21 ASN 82 1HD2 ASN 82 -7.430 2.294 3.929 699 HD22 ASN 82 2HD2 ASN 82 -8.760 3.224 3.359 700 H LYS 83 H LYS 83 -3.151 2.871 5.561 701 HA LYS 83 HA LYS 83 -2.344 3.814 8.114 702 HB2 LYS 83 2HB LYS 83 -1.777 1.537 7.305 703 HB3 LYS 83 3HB LYS 83 -0.759 2.216 6.043 704 HG2 LYS 83 2HG LYS 83 0.595 1.328 7.869 705 HG3 LYS 83 3HG LYS 83 0.797 3.079 7.752 706 HD2 LYS 83 2HD LYS 83 -0.841 3.346 9.624 707 HD3 LYS 83 3HD LYS 83 -0.932 1.588 9.765 708 HE2 LYS 83 2HE LYS 83 1.417 1.478 10.401 709 HE3 LYS 83 3HE LYS 83 1.610 3.214 10.114 710 HZ1 LYS 83 3HZ LYS 83 0.051 3.657 11.893 711 HZ2 LYS 83 1HZ LYS 83 1.328 2.709 12.463 712 HZ3 LYS 83 2HZ LYS 83 -0.175 2.002 12.159 713 H ILE 84 H ILE 84 -0.892 4.255 4.895 714 HA ILE 84 HA ILE 84 1.129 6.100 5.656 715 HB ILE 84 HB ILE 84 -0.089 5.326 2.972 716 HG12 ILE 84 2HG1 ILE 84 2.262 4.523 2.495 717 HG13 ILE 84 3HG1 ILE 84 2.716 4.987 4.123 718 HG21 ILE 84 1HG2 ILE 84 1.585 6.746 1.804 719 HG22 ILE 84 2HG2 ILE 84 2.043 7.455 3.354 720 HG23 ILE 84 3HG2 ILE 84 0.416 7.703 2.718 721 HD11 ILE 84 3HD1 ILE 84 1.135 3.301 4.999 722 HD12 ILE 84 1HD1 ILE 84 2.410 2.616 3.990 723 HD13 ILE 84 2HD1 ILE 84 0.786 2.823 3.336 724 H ALA 85 H ALA 85 -2.142 6.480 4.226 725 HA ALA 85 HA ALA 85 -2.184 9.267 3.922 726 HB1 ALA 85 3HB ALA 85 -4.530 7.415 4.447 727 HB2 ALA 85 1HB ALA 85 -3.815 7.753 2.871 728 HB3 ALA 85 2HB ALA 85 -4.621 9.044 3.765 729 H ASN 86 H ASN 86 -2.748 7.298 6.796 730 HA ASN 86 HA ASN 86 -4.177 9.168 8.391 731 HB2 ASN 86 2HB ASN 86 -4.049 6.686 8.819 732 HB3 ASN 86 3HB ASN 86 -2.390 6.895 9.359 733 HD21 ASN 86 1HD2 ASN 86 -5.061 9.134 10.124 734 HD22 ASN 86 2HD2 ASN 86 -5.085 8.771 11.811 735 H GLU 87 H GLU 87 -0.781 8.757 7.731 736 HA GLU 87 HA GLU 87 0.305 10.234 9.923 737 HB2 GLU 87 2HB GLU 87 1.504 9.654 7.179 738 HB3 GLU 87 3HB GLU 87 2.402 10.211 8.587 739 HG2 GLU 87 2HG GLU 87 0.948 7.561 8.366 740 HG3 GLU 87 3HG GLU 87 2.681 7.793 8.164 741 H LEU 88 H LEU 88 -1.363 11.275 7.114 742 HA LEU 88 HA LEU 88 -0.510 14.076 7.472 743 HB2 LEU 88 2HB LEU 88 -0.453 14.266 4.903 744 HB3 LEU 88 3HB LEU 88 0.920 13.515 5.684 745 HG LEU 88 HG LEU 88 -1.219 11.623 4.708 746 HD11 LEU 88 1HD1 LEU 88 -1.129 13.158 2.808 747 HD12 LEU 88 2HD1 LEU 88 -0.396 11.612 2.395 748 HD13 LEU 88 3HD1 LEU 88 0.626 13.009 2.742 749 HD21 LEU 88 3HD2 LEU 88 0.808 10.772 5.798 750 HD22 LEU 88 1HD2 LEU 88 1.815 11.548 4.571 751 HD23 LEU 88 2HD2 LEU 88 0.722 10.233 4.123 752 H GLY 89 H GLY 89 -3.076 12.079 7.522 753 HA2 GLY 89 2HA GLY 89 -5.352 12.482 7.454 754 HA3 GLY 89 3HA GLY 89 -5.031 14.117 6.900 755 H ALA 90 H ALA 90 -4.200 14.261 4.605 756 HA ALA 90 HA ALA 90 -4.198 13.912 2.381 757 HB1 ALA 90 3HB ALA 90 -4.686 10.995 3.064 758 HB2 ALA 90 1HB ALA 90 -3.107 11.780 2.960 759 HB3 ALA 90 2HB ALA 90 -4.107 11.624 1.516 760 H LYS 91 H LYS 91 -5.720 12.284 0.679 761 HA LYS 91 HA LYS 91 -8.491 13.188 1.168 762 HB2 LYS 91 2HB LYS 91 -7.240 13.679 -1.043 763 HB3 LYS 91 3HB LYS 91 -7.389 11.971 -1.401 764 HG2 LYS 91 2HG LYS 91 -9.833 13.696 -0.863 765 HG3 LYS 91 3HG LYS 91 -9.097 13.606 -2.459 766 HD2 LYS 91 2HD LYS 91 -10.225 11.236 -0.918 767 HD3 LYS 91 3HD LYS 91 -11.054 12.091 -2.219 768 HE2 LYS 91 2HE LYS 91 -8.459 10.526 -2.488 769 HE3 LYS 91 3HE LYS 91 -10.049 10.013 -3.047 770 HZ1 LYS 91 3HZ LYS 91 -8.540 12.361 -4.048 771 HZ2 LYS 91 1HZ LYS 91 -10.080 11.895 -4.554 772 HZ3 LYS 91 2HZ LYS 91 -8.758 10.893 -4.861 773 H GLN 92 H GLN 92 -7.396 10.254 -0.617 774 HA GLN 92 HA GLN 92 -7.949 8.226 1.190 775 HB2 GLN 92 2HB GLN 92 -10.284 9.147 1.300 776 HB3 GLN 92 3HB GLN 92 -10.466 8.936 -0.431 777 HG2 GLN 92 2HG GLN 92 -11.657 7.203 0.870 778 HG3 GLN 92 3HG GLN 92 -10.430 6.521 -0.190 779 HE21 GLN 92 1HE2 GLN 92 -9.855 7.999 2.997 780 HE22 GLN 92 2HE2 GLN 92 -9.305 6.552 3.756 781 H SER 93 H SER 93 -8.169 6.116 0.133 782 HA SER 93 HA SER 93 -7.116 5.990 -2.591 783 HB2 SER 93 2HB SER 93 -6.857 3.557 -2.009 784 HB3 SER 93 3HB SER 93 -5.997 4.638 -0.919 785 HG SER 93 HG SER 93 -8.610 3.822 -0.232 786 H THR 94 H THR 94 -8.211 5.034 -4.280 787 HA THR 94 HA THR 94 -10.954 4.025 -3.897 788 HB THR 94 HB THR 94 -10.753 5.695 -5.688 789 HG1 THR 94 HG1 THR 94 -11.785 4.501 -7.269 790 HG21 THR 94 3HG2 THR 94 -8.733 3.826 -6.989 791 HG22 THR 94 1HG2 THR 94 -8.393 5.422 -6.315 792 HG23 THR 94 2HG2 THR 94 -9.424 5.267 -7.739 793 H THR 95 H THR 95 -11.516 1.930 -4.655 794 HA THR 95 HA THR 95 -9.302 -0.018 -4.540 795 HB THR 95 HB THR 95 -12.278 -0.506 -4.039 796 HG1 THR 95 HG1 THR 95 -11.316 -0.630 -1.759 797 HG21 THR 95 3HG2 THR 95 -10.989 -2.554 -4.606 798 HG22 THR 95 1HG2 THR 95 -11.517 -2.569 -2.915 799 HG23 THR 95 2HG2 THR 95 -9.845 -2.181 -3.316 800 H THR 96 H THR 96 -8.968 -1.408 -6.201 801 HA THR 96 HA THR 96 -11.085 -1.861 -8.220 802 HB THR 96 HB THR 96 -8.080 -1.761 -8.808 803 HG1 THR 96 HG1 THR 96 -8.669 0.329 -8.589 804 HG21 THR 96 3HG2 THR 96 -10.445 -2.004 -10.705 805 HG22 THR 96 1HG2 THR 96 -9.313 -3.303 -10.298 806 HG23 THR 96 2HG2 THR 96 -8.750 -1.879 -11.172 807 H THR 97 H THR 97 -11.744 -3.879 -7.904 808 HA THR 97 HA THR 97 -9.869 -5.961 -6.931 809 HB THR 97 HB THR 97 -11.586 -5.395 -5.265 810 HG1 THR 97 HG1 THR 97 -12.184 -7.491 -4.865 811 HG21 THR 97 3HG2 THR 97 -13.381 -4.549 -6.734 812 HG22 THR 97 1HG2 THR 97 -13.995 -5.812 -5.665 813 HG23 THR 97 2HG2 THR 97 -13.659 -6.176 -7.360 814 H ASP 98 H ASP 98 -9.956 -7.979 -7.909 815 HA ASP 98 HA ASP 98 -11.883 -8.715 -9.898 816 HB2 ASP 98 2HB ASP 98 -10.234 -7.113 -11.130 817 HB3 ASP 98 3HB ASP 98 -9.016 -8.370 -10.932 818 H GLY 99 H GLY 99 -11.310 -10.907 -10.824 819 HA2 GLY 99 2HA GLY 99 -10.533 -12.719 -8.755 820 HA3 GLY 99 3HA GLY 99 -10.938 -13.128 -10.414 821 H ASP 100 H ASP 100 -8.821 -11.281 -11.496 822 HA ASP 100 HA ASP 100 -6.583 -13.186 -11.187 823 HB2 ASP 100 2HB ASP 100 -5.705 -12.219 -13.362 824 HB3 ASP 100 3HB ASP 100 -7.226 -13.092 -13.475 825 H THR 101 H THR 101 -7.347 -9.779 -10.705 826 HA THR 101 HA THR 101 -4.702 -9.340 -9.485 827 HB THR 101 HB THR 101 -5.788 -7.376 -11.573 828 HG1 THR 101 HG1 THR 101 -5.140 -9.303 -12.600 829 HG21 THR 101 3HG2 THR 101 -4.248 -6.362 -9.893 830 HG22 THR 101 1HG2 THR 101 -3.534 -6.392 -11.509 831 HG23 THR 101 2HG2 THR 101 -3.027 -7.570 -10.296 832 H PHE 102 H PHE 102 -4.634 -7.519 -8.071 833 HA PHE 102 HA PHE 102 -7.129 -6.106 -7.429 834 HB2 PHE 102 2HB PHE 102 -6.889 -8.042 -5.825 835 HB3 PHE 102 3HB PHE 102 -5.320 -7.419 -5.325 836 HD1 PHE 102 HD2 PHE 102 -8.974 -6.714 -5.344 837 HD2 PHE 102 HD1 PHE 102 -5.177 -5.617 -3.707 838 HE1 PHE 102 HE2 PHE 102 -10.096 -5.281 -3.691 839 HE2 PHE 102 HE1 PHE 102 -6.312 -4.187 -2.063 840 HZ PHE 102 HZ PHE 102 -8.766 -4.012 -2.052 841 H GLU 103 H GLU 103 -6.669 -3.976 -7.519 842 HA GLU 103 HA GLU 103 -4.015 -2.967 -6.707 843 HB2 GLU 103 2HB GLU 103 -4.056 -3.179 -9.184 844 HB3 GLU 103 3HB GLU 103 -5.504 -2.180 -9.255 845 HG2 GLU 103 2HG GLU 103 -4.260 -0.246 -8.417 846 HG3 GLU 103 3HG GLU 103 -2.810 -1.233 -8.210 847 H VAL 104 H VAL 104 -4.068 -1.051 -5.631 848 HA VAL 104 HA VAL 104 -6.647 0.352 -5.181 849 HB VAL 104 HB VAL 104 -4.464 -0.326 -3.127 850 HG11 VAL 104 1HG1 VAL 104 -6.981 1.337 -2.725 851 HG12 VAL 104 2HG1 VAL 104 -5.320 1.932 -2.686 852 HG13 VAL 104 3HG1 VAL 104 -5.883 0.816 -1.441 853 HG21 VAL 104 3HG2 VAL 104 -6.233 -1.587 -1.948 854 HG22 VAL 104 1HG2 VAL 104 -5.952 -2.222 -3.571 855 HG23 VAL 104 2HG2 VAL 104 -7.366 -1.216 -3.252 856 H GLU 105 H GLU 105 -6.388 2.354 -6.084 857 HA GLU 105 HA GLU 105 -3.725 3.611 -6.148 858 HB2 GLU 105 2HB GLU 105 -5.099 3.735 -8.242 859 HB3 GLU 105 3HB GLU 105 -6.353 4.607 -7.352 860 HG2 GLU 105 2HG GLU 105 -4.643 6.392 -6.826 861 HG3 GLU 105 3HG GLU 105 -3.511 5.539 -7.870 862 H VAL 106 H VAL 106 -3.207 4.824 -4.519 863 HA VAL 106 HA VAL 106 -5.147 5.918 -2.618 864 HB VAL 106 HB VAL 106 -2.114 5.884 -2.242 865 HG11 VAL 106 1HG1 VAL 106 -3.436 7.192 -0.636 866 HG12 VAL 106 2HG1 VAL 106 -2.671 5.812 0.154 867 HG13 VAL 106 3HG1 VAL 106 -4.393 5.764 -0.238 868 HG21 VAL 106 3HG2 VAL 106 -2.677 3.579 -2.844 869 HG22 VAL 106 1HG2 VAL 106 -3.955 3.543 -1.627 870 HG23 VAL 106 2HG2 VAL 106 -2.265 3.672 -1.130 871 H ILE 107 H ILE 107 -5.753 7.951 -3.216 872 HA ILE 107 HA ILE 107 -3.877 9.655 -4.717 873 HB ILE 107 HB ILE 107 -6.839 10.255 -4.287 874 HG12 ILE 107 2HG1 ILE 107 -6.994 9.364 -6.798 875 HG13 ILE 107 3HG1 ILE 107 -5.597 8.400 -6.344 876 HG21 ILE 107 1HG2 ILE 107 -4.887 11.175 -6.424 877 HG22 ILE 107 2HG2 ILE 107 -5.438 12.128 -5.047 878 HG23 ILE 107 3HG2 ILE 107 -6.585 11.649 -6.299 879 HD11 ILE 107 3HD1 ILE 107 -7.659 7.145 -6.138 880 HD12 ILE 107 1HD1 ILE 107 -8.308 8.345 -5.020 881 HD13 ILE 107 2HD1 ILE 107 -6.917 7.364 -4.554 882 H LEU 108 H LEU 108 -2.594 10.631 -3.249 883 HA LEU 108 HA LEU 108 -3.731 11.932 -0.858 884 HB2 LEU 108 2HB LEU 108 -0.796 11.770 -1.644 885 HB3 LEU 108 3HB LEU 108 -1.464 12.086 -0.051 886 HG LEU 108 HG LEU 108 -1.582 9.415 -1.517 887 HD11 LEU 108 1HD1 LEU 108 0.010 8.598 0.139 888 HD12 LEU 108 2HD1 LEU 108 0.111 10.204 0.867 889 HD13 LEU 108 3HD1 LEU 108 0.690 9.939 -0.781 890 HD21 LEU 108 3HD2 LEU 108 -2.435 8.476 0.583 891 HD22 LEU 108 1HD2 LEU 108 -3.529 9.690 -0.075 892 HD23 LEU 108 2HD2 LEU 108 -2.488 10.091 1.294 893 H GLU 109 H GLU 109 -4.660 13.843 -1.501 894 HA GLU 109 HA GLU 109 -3.190 15.655 -3.352 895 HB2 GLU 109 2HB GLU 109 -6.179 15.502 -2.703 896 HB3 GLU 109 3HB GLU 109 -5.440 16.697 -3.768 897 HG2 GLU 109 2HG GLU 109 -4.780 14.989 -5.343 898 HG3 GLU 109 3HG GLU 109 -5.307 13.712 -4.246 899 H LEU 110 H LEU 110 -1.889 16.574 -1.728 900 HA LEU 110 HA LEU 110 -3.270 18.382 0.192 901 HB2 LEU 110 2HB LEU 110 -0.501 17.114 0.509 902 HB3 LEU 110 3HB LEU 110 -1.202 18.299 1.593 903 HG LEU 110 HG LEU 110 -3.069 16.540 2.037 904 HD11 LEU 110 1HD1 LEU 110 -1.004 14.692 0.817 905 HD12 LEU 110 2HD1 LEU 110 -2.614 15.032 0.182 906 HD13 LEU 110 3HD1 LEU 110 -2.438 14.191 1.717 907 HD21 LEU 110 3HD2 LEU 110 -1.745 15.437 3.780 908 HD22 LEU 110 1HD2 LEU 110 -1.384 17.161 3.702 909 HD23 LEU 110 2HD2 LEU 110 -0.252 15.991 3.016 910 H GLU 111 H GLU 111 -2.728 20.530 0.034 911 HA GLU 111 HA GLU 111 -0.282 21.329 -1.347 912 HB2 GLU 111 2HB GLU 111 -2.080 21.377 -3.096 913 HB3 GLU 111 3HB GLU 111 -3.005 22.493 -2.094 914 HG2 GLU 111 2HG GLU 111 -1.836 23.693 -3.865 915 HG3 GLU 111 3HG GLU 111 -1.226 24.175 -2.285 916 H HIS 112 H HIS 112 0.664 22.984 -0.414 917 HA HIS 112 HA HIS 112 -0.666 24.425 1.820 918 HB2 HIS 112 2HB HIS 112 2.305 23.807 1.420 919 HB3 HIS 112 3HB HIS 112 1.611 24.660 2.797 920 HD1 HIS 112 HD1 HIS 112 0.637 23.250 4.674 921 HD2 HIS 112 HD2 HIS 112 1.738 20.978 1.374 922 HE1 HIS 112 HE1 HIS 112 0.540 20.858 5.429 923 HE2 HIS 112 HE2 HIS 112 1.313 19.521 3.449 924 H HIS 113 H HIS 113 -0.874 26.553 1.525 925 HA HIS 113 HA HIS 113 -0.224 27.815 -0.944 926 HB2 HIS 113 2HB HIS 113 -1.198 29.900 0.238 927 HB3 HIS 113 3HB HIS 113 -2.264 28.521 0.040 928 HD1 HIS 113 HD1 HIS 113 -3.334 27.586 2.118 929 HD2 HIS 113 HD2 HIS 113 -0.269 30.252 2.996 930 HE1 HIS 113 HE1 HIS 113 -3.433 27.940 4.600 931 HE2 HIS 113 HE2 HIS 113 -1.706 29.704 5.064 932 H HIS 114 H HIS 114 2.059 27.529 -0.973 933 HA HIS 114 HA HIS 114 3.713 29.694 -0.402 934 HB2 HIS 114 2HB HIS 114 3.525 29.025 1.999 935 HB3 HIS 114 3HB HIS 114 4.077 27.400 1.607 936 HD1 HIS 114 HD1 HIS 114 6.563 27.019 1.574 937 HD2 HIS 114 HD2 HIS 114 5.589 31.057 1.650 938 HE1 HIS 114 HE1 HIS 114 8.747 28.239 1.789 939 HE2 HIS 114 HE2 HIS 114 8.103 30.655 2.084 940 H HIS 115 H HIS 115 3.220 26.344 -1.114 941 HA HIS 115 HA HIS 115 5.653 25.292 -1.890 942 HB2 HIS 115 2HB HIS 115 3.547 24.032 -1.778 943 HB3 HIS 115 3HB HIS 115 2.899 24.935 -3.132 944 HD1 HIS 115 HD1 HIS 115 4.850 21.947 -2.271 945 HD2 HIS 115 HD2 HIS 115 4.017 24.156 -5.691 946 HE1 HIS 115 HE1 HIS 115 5.415 20.443 -4.203 947 HE2 HIS 115 HE2 HIS 115 5.164 21.912 -6.225 948 H HIS 116 H HIS 116 3.316 26.985 -4.012 949 HA HIS 116 HA HIS 116 3.418 28.055 -5.971 950 HB2 HIS 116 2HB HIS 116 6.281 28.644 -5.124 951 HB3 HIS 116 3HB HIS 116 5.531 29.362 -6.549 952 HD1 HIS 116 HD1 HIS 116 5.971 29.919 -2.980 953 HD2 HIS 116 HD2 HIS 116 3.121 30.943 -5.832 954 HE1 HIS 116 HE1 HIS 116 4.644 31.798 -1.975 955 HE2 HIS 116 HE2 HIS 116 3.021 32.483 -3.766 956 H HIS 117 H HIS 117 6.709 26.695 -6.057 957 HA HIS 117 HA HIS 117 5.985 25.057 -8.435 958 HB2 HIS 117 2HB HIS 117 8.667 26.399 -7.822 959 HB3 HIS 117 3HB HIS 117 8.328 25.376 -9.218 960 HD1 HIS 117 HD1 HIS 117 8.913 28.680 -8.731 961 HD2 HIS 117 HD2 HIS 117 5.652 26.732 -10.414 962 HE1 HIS 117 HE1 HIS 117 7.808 30.368 -10.217 963 HE2 HIS 117 HE2 HIS 117 5.976 29.104 -11.371 Start of MODEL 13 1 H1 MET 1 1H MET 1 -1.731 -28.179 -9.392 2 H2 MET 1 2H MET 1 -0.539 -27.530 -8.392 3 H3 MET 1 3H MET 1 -0.264 -27.656 -10.049 4 HA MET 1 HA MET 1 -2.005 -26.082 -10.513 5 HB2 MET 1 2HB MET 1 -3.412 -26.530 -8.502 6 HB3 MET 1 3HB MET 1 -2.175 -25.821 -7.473 7 HG2 MET 1 2HG MET 1 -2.533 -23.628 -8.536 8 HG3 MET 1 3HG MET 1 -3.752 -24.334 -9.595 9 HE1 MET 1 3HE MET 1 -5.883 -22.071 -7.167 10 HE2 MET 1 1HE MET 1 -5.496 -22.422 -8.851 11 HE3 MET 1 2HE MET 1 -4.273 -21.715 -7.792 12 H ALA 2 H ALA 2 0.469 -26.052 -7.999 13 HA ALA 2 HA ALA 2 2.267 -24.805 -7.525 14 HB1 ALA 2 3HB ALA 2 1.953 -23.587 -10.291 15 HB2 ALA 2 1HB ALA 2 2.886 -25.029 -9.891 16 HB3 ALA 2 2HB ALA 2 3.380 -23.460 -9.256 17 H GLY 3 H GLY 3 1.562 -23.640 -5.839 18 HA2 GLY 3 2HA GLY 3 0.244 -21.019 -6.227 19 HA3 GLY 3 3HA GLY 3 0.401 -21.904 -4.711 20 H LYS 4 H LYS 4 1.481 -20.456 -3.445 21 HA LYS 4 HA LYS 4 3.160 -19.285 -2.495 22 HB2 LYS 4 2HB LYS 4 4.850 -20.998 -4.366 23 HB3 LYS 4 3HB LYS 4 5.563 -19.907 -3.192 24 HG2 LYS 4 2HG LYS 4 5.631 -22.084 -2.241 25 HG3 LYS 4 3HG LYS 4 4.384 -21.189 -1.373 26 HD2 LYS 4 2HD LYS 4 2.660 -22.335 -2.821 27 HD3 LYS 4 3HD LYS 4 3.960 -23.303 -3.522 28 HE2 LYS 4 2HE LYS 4 2.779 -24.545 -1.763 29 HE3 LYS 4 3HE LYS 4 4.454 -24.251 -1.297 30 HZ1 LYS 4 3HZ LYS 4 2.841 -23.868 0.501 31 HZ2 LYS 4 1HZ LYS 4 2.152 -22.606 -0.386 32 HZ3 LYS 4 2HZ LYS 4 3.752 -22.490 0.147 33 H GLU 5 H GLU 5 5.263 -17.893 -3.074 34 HA GLU 5 HA GLU 5 6.287 -16.175 -4.085 35 HB2 GLU 5 2HB GLU 5 6.714 -18.009 -5.748 36 HB3 GLU 5 3HB GLU 5 5.310 -17.467 -6.664 37 HG2 GLU 5 2HG GLU 5 6.430 -15.258 -6.996 38 HG3 GLU 5 3HG GLU 5 7.855 -15.881 -6.165 39 H LEU 6 H LEU 6 4.771 -14.640 -3.162 40 HA LEU 6 HA LEU 6 2.696 -13.531 -4.946 41 HB2 LEU 6 2HB LEU 6 3.186 -13.160 -1.957 42 HB3 LEU 6 3HB LEU 6 1.990 -12.247 -2.862 43 HG LEU 6 HG LEU 6 0.913 -14.522 -3.463 44 HD11 LEU 6 1HD1 LEU 6 1.304 -16.406 -1.962 45 HD12 LEU 6 2HD1 LEU 6 2.634 -15.535 -1.194 46 HD13 LEU 6 3HD1 LEU 6 2.749 -16.008 -2.891 47 HD21 LEU 6 3HD2 LEU 6 0.859 -13.664 -0.556 48 HD22 LEU 6 1HD2 LEU 6 -0.360 -14.647 -1.376 49 HD23 LEU 6 2HD2 LEU 6 -0.104 -12.974 -1.864 50 H ARG 7 H ARG 7 3.684 -12.198 -6.308 51 HA ARG 7 HA ARG 7 5.784 -10.344 -5.529 52 HB2 ARG 7 2HB ARG 7 4.728 -11.402 -8.126 53 HB3 ARG 7 3HB ARG 7 5.213 -9.715 -8.184 54 HG2 ARG 7 2HG ARG 7 7.065 -11.086 -8.876 55 HG3 ARG 7 3HG ARG 7 7.442 -10.312 -7.338 56 HD2 ARG 7 2HD ARG 7 6.797 -12.488 -6.201 57 HD3 ARG 7 3HD ARG 7 6.704 -13.219 -7.809 58 HE ARG 7 HE ARG 7 9.099 -12.225 -6.436 59 HH11 ARG 7 1HH1 ARG 7 7.773 -13.865 -9.247 60 HH12 ARG 7 2HH1 ARG 7 9.316 -14.450 -9.770 61 HH21 ARG 7 1HH2 ARG 7 11.081 -12.990 -7.101 62 HH22 ARG 7 2HH2 ARG 7 11.215 -13.949 -8.542 63 H VAL 8 H VAL 8 5.611 -8.155 -5.470 64 HA VAL 8 HA VAL 8 2.928 -6.906 -5.725 65 HB VAL 8 HB VAL 8 3.520 -5.376 -3.847 66 HG11 VAL 8 1HG1 VAL 8 3.718 -8.306 -3.062 67 HG12 VAL 8 2HG1 VAL 8 2.232 -7.392 -3.315 68 HG13 VAL 8 3HG1 VAL 8 3.299 -6.976 -1.975 69 HG21 VAL 8 3HG2 VAL 8 5.979 -5.442 -4.076 70 HG22 VAL 8 1HG2 VAL 8 5.998 -7.107 -3.491 71 HG23 VAL 8 2HG2 VAL 8 5.484 -5.798 -2.426 72 H GLU 9 H GLU 9 2.885 -5.011 -6.848 73 HA GLU 9 HA GLU 9 5.427 -3.595 -7.421 74 HB2 GLU 9 2HB GLU 9 2.769 -3.529 -8.916 75 HB3 GLU 9 3HB GLU 9 4.119 -2.445 -9.257 76 HG2 GLU 9 2HG GLU 9 5.521 -4.370 -9.878 77 HG3 GLU 9 3HG GLU 9 4.199 -5.468 -9.488 78 H ILE 10 H ILE 10 5.560 -2.464 -5.524 79 HA ILE 10 HA ILE 10 3.353 -0.724 -4.652 80 HB ILE 10 HB ILE 10 6.195 -0.982 -3.531 81 HG12 ILE 10 2HG1 ILE 10 5.020 -3.155 -3.337 82 HG13 ILE 10 3HG1 ILE 10 5.300 -2.439 -1.756 83 HG21 ILE 10 1HG2 ILE 10 5.133 1.138 -2.913 84 HG22 ILE 10 2HG2 ILE 10 5.299 0.102 -1.496 85 HG23 ILE 10 3HG2 ILE 10 3.726 0.276 -2.280 86 HD11 ILE 10 3HD1 ILE 10 2.942 -1.734 -1.684 87 HD12 ILE 10 1HD1 ILE 10 3.131 -3.477 -1.871 88 HD13 ILE 10 2HD1 ILE 10 2.687 -2.489 -3.262 89 H LYS 11 H LYS 11 3.258 1.342 -5.599 90 HA LYS 11 HA LYS 11 5.616 2.228 -7.192 91 HB2 LYS 11 2HB LYS 11 2.658 2.568 -7.847 92 HB3 LYS 11 3HB LYS 11 4.007 3.087 -8.861 93 HG2 LYS 11 2HG LYS 11 3.455 0.201 -8.093 94 HG3 LYS 11 3HG LYS 11 2.879 0.956 -9.574 95 HD2 LYS 11 2HD LYS 11 5.811 0.662 -8.822 96 HD3 LYS 11 3HD LYS 11 4.924 -0.432 -9.888 97 HE2 LYS 11 2HE LYS 11 4.416 1.596 -11.346 98 HE3 LYS 11 3HE LYS 11 5.586 2.485 -10.366 99 HZ1 LYS 11 3HZ LYS 11 6.122 0.069 -12.001 100 HZ2 LYS 11 1HZ LYS 11 7.248 0.808 -10.992 101 HZ3 LYS 11 2HZ LYS 11 6.644 1.638 -12.325 102 H ILE 12 H ILE 12 6.416 4.124 -6.616 103 HA ILE 12 HA ILE 12 4.833 6.043 -5.042 104 HB ILE 12 HB ILE 12 7.820 5.998 -5.668 105 HG12 ILE 12 2HG1 ILE 12 7.241 4.112 -4.222 106 HG13 ILE 12 3HG1 ILE 12 8.103 5.313 -3.272 107 HG21 ILE 12 1HG2 ILE 12 7.036 8.293 -5.278 108 HG22 ILE 12 2HG2 ILE 12 8.055 7.747 -3.946 109 HG23 ILE 12 3HG2 ILE 12 6.302 7.804 -3.744 110 HD11 ILE 12 3HD1 ILE 12 5.957 6.051 -2.300 111 HD12 ILE 12 1HD1 ILE 12 6.289 4.343 -2.010 112 HD13 ILE 12 2HD1 ILE 12 5.122 4.812 -3.245 113 H ASP 13 H ASP 13 3.769 7.494 -6.192 114 HA ASP 13 HA ASP 13 4.780 8.433 -8.819 115 HB2 ASP 13 2HB ASP 13 1.909 8.023 -7.859 116 HB3 ASP 13 3HB ASP 13 2.328 8.863 -9.351 117 H CYS 14 H CYS 14 5.756 10.284 -8.335 118 HA CYS 14 HA CYS 14 4.251 12.458 -6.991 119 HB2 CYS 14 2HB CYS 14 6.448 13.147 -5.971 120 HB3 CYS 14 3HB CYS 14 5.881 11.592 -5.379 121 HG CYS 14 HG CYS 14 7.662 10.069 -6.793 122 H GLY 15 H GLY 15 4.513 11.756 -9.770 123 HA2 GLY 15 2HA GLY 15 4.844 12.891 -11.769 124 HA3 GLY 15 3HA GLY 15 5.883 14.057 -10.953 125 H ASN 16 H ASN 16 8.057 13.514 -10.521 126 HA ASN 16 HA ASN 16 9.240 10.982 -11.191 127 HB2 ASN 16 2HB ASN 16 8.792 12.101 -13.470 128 HB3 ASN 16 3HB ASN 16 10.000 13.300 -13.039 129 HD21 ASN 16 1HD2 ASN 16 12.170 12.708 -13.097 130 HD22 ASN 16 2HD2 ASN 16 12.725 11.224 -13.780 131 H ASP 17 H ASP 17 9.083 13.310 -9.175 132 HA ASP 17 HA ASP 17 11.717 14.394 -8.871 133 HB2 ASP 17 2HB ASP 17 9.608 15.431 -7.933 134 HB3 ASP 17 3HB ASP 17 9.538 14.131 -6.744 135 H ASP 18 H ASP 18 9.908 11.886 -7.101 136 HA ASP 18 HA ASP 18 12.418 10.421 -6.543 137 HB2 ASP 18 2HB ASP 18 10.808 10.718 -4.603 138 HB3 ASP 18 3HB ASP 18 9.593 9.814 -5.502 139 H LYS 19 H LYS 19 12.915 8.833 -7.946 140 HA LYS 19 HA LYS 19 11.236 8.136 -10.143 141 HB2 LYS 19 2HB LYS 19 13.721 8.181 -10.286 142 HB3 LYS 19 3HB LYS 19 13.825 6.825 -9.172 143 HG2 LYS 19 2HG LYS 19 12.841 5.323 -10.789 144 HG3 LYS 19 3HG LYS 19 12.433 6.660 -11.867 145 HD2 LYS 19 2HD LYS 19 15.263 5.776 -11.152 146 HD3 LYS 19 3HD LYS 19 14.418 5.378 -12.649 147 HE2 LYS 19 2HE LYS 19 14.322 7.786 -13.232 148 HE3 LYS 19 3HE LYS 19 15.169 8.184 -11.735 149 HZ1 LYS 19 3HZ LYS 19 16.266 6.551 -13.968 150 HZ2 LYS 19 1HZ LYS 19 17.077 6.913 -12.529 151 HZ3 LYS 19 2HZ LYS 19 16.681 8.148 -13.611 152 H GLU 20 H GLU 20 10.267 6.098 -10.578 153 HA GLU 20 HA GLU 20 8.676 5.073 -8.535 154 HB2 GLU 20 2HB GLU 20 8.044 3.298 -10.210 155 HB3 GLU 20 3HB GLU 20 7.967 4.933 -10.856 156 HG2 GLU 20 2HG GLU 20 10.007 4.645 -12.101 157 HG3 GLU 20 3HG GLU 20 10.360 3.119 -11.290 158 H THR 21 H THR 21 9.070 3.610 -6.960 159 HA THR 21 HA THR 21 11.300 1.689 -7.216 160 HB THR 21 HB THR 21 12.278 3.441 -5.906 161 HG1 THR 21 HG1 THR 21 12.469 2.383 -3.819 162 HG21 THR 21 3HG2 THR 21 10.261 4.708 -5.269 163 HG22 THR 21 1HG2 THR 21 11.286 4.390 -3.857 164 HG23 THR 21 2HG2 THR 21 9.820 3.443 -4.121 165 H THR 22 H THR 22 10.246 -0.174 -7.297 166 HA THR 22 HA THR 22 8.021 -0.838 -5.533 167 HB THR 22 HB THR 22 8.294 -3.154 -6.671 168 HG1 THR 22 HG1 THR 22 10.037 -3.363 -7.842 169 HG21 THR 22 3HG2 THR 22 6.557 -1.567 -7.413 170 HG22 THR 22 1HG2 THR 22 7.247 -2.434 -8.790 171 HG23 THR 22 2HG2 THR 22 7.726 -0.768 -8.466 172 H TYR 23 H TYR 23 8.184 -2.121 -3.762 173 HA TYR 23 HA TYR 23 10.890 -2.858 -2.812 174 HB2 TYR 23 2HB TYR 23 8.274 -2.499 -1.262 175 HB3 TYR 23 3HB TYR 23 9.839 -2.884 -0.553 176 HD1 TYR 23 HD2 TYR 23 11.620 -1.157 -0.438 177 HD2 TYR 23 HD1 TYR 23 7.740 -0.202 -1.959 178 HE1 TYR 23 HE2 TYR 23 12.115 1.238 -0.201 179 HE2 TYR 23 HE1 TYR 23 8.233 2.193 -1.725 180 HH TYR 23 HH TYR 23 11.362 3.387 -1.121 181 H ASP 24 H ASP 24 11.370 -4.979 -2.810 182 HA ASP 24 HA ASP 24 9.464 -6.959 -3.698 183 HB2 ASP 24 2HB ASP 24 12.354 -7.314 -2.751 184 HB3 ASP 24 3HB ASP 24 11.385 -8.547 -3.553 185 H LEU 25 H LEU 25 7.916 -7.330 -2.171 186 HA LEU 25 HA LEU 25 8.805 -8.563 0.369 187 HB2 LEU 25 2HB LEU 25 7.065 -7.446 1.611 188 HB3 LEU 25 3HB LEU 25 8.055 -6.254 0.806 189 HG LEU 25 HG LEU 25 5.992 -6.487 -1.002 190 HD11 LEU 25 1HD1 LEU 25 3.851 -6.497 0.176 191 HD12 LEU 25 2HD1 LEU 25 4.674 -6.862 1.696 192 HD13 LEU 25 3HD1 LEU 25 4.697 -8.034 0.376 193 HD21 LEU 25 3HD2 LEU 25 5.125 -4.377 -0.124 194 HD22 LEU 25 1HD2 LEU 25 6.888 -4.382 -0.163 195 HD23 LEU 25 2HD2 LEU 25 6.039 -4.610 1.368 196 H TYR 26 H TYR 26 7.596 -10.288 1.058 197 HA TYR 26 HA TYR 26 5.497 -11.344 -0.746 198 HB2 TYR 26 2HB TYR 26 7.689 -12.910 0.708 199 HB3 TYR 26 3HB TYR 26 6.397 -13.628 -0.248 200 HD1 TYR 26 HD2 TYR 26 9.536 -11.630 -0.422 201 HD2 TYR 26 HD1 TYR 26 6.523 -13.655 -2.689 202 HE1 TYR 26 HE2 TYR 26 10.919 -11.427 -2.441 203 HE2 TYR 26 HE1 TYR 26 7.914 -13.451 -4.703 204 HH TYR 26 HH TYR 26 11.180 -12.553 -4.604 205 H PHE 27 H PHE 27 3.898 -12.629 0.301 206 HA PHE 27 HA PHE 27 3.410 -11.934 3.122 207 HB2 PHE 27 2HB PHE 27 1.501 -13.103 1.044 208 HB3 PHE 27 3HB PHE 27 1.069 -12.529 2.652 209 HD1 PHE 27 HD2 PHE 27 2.067 -11.472 -0.762 210 HD2 PHE 27 HD1 PHE 27 0.854 -10.155 3.114 211 HE1 PHE 27 HE2 PHE 27 1.687 -9.210 -1.645 212 HE2 PHE 27 HE1 PHE 27 0.487 -7.914 2.223 213 HZ PHE 27 HZ PHE 27 0.897 -7.422 -0.150 214 H SER 28 H SER 28 2.211 -13.670 4.367 215 HA SER 28 HA SER 28 3.048 -16.418 3.775 216 HB2 SER 28 2HB SER 28 4.853 -15.484 5.203 217 HB3 SER 28 3HB SER 28 3.661 -15.018 6.417 218 HG SER 28 HG SER 28 3.693 -16.986 7.145 219 H LYS 29 H LYS 29 1.612 -14.729 6.623 220 HA LYS 29 HA LYS 29 -0.926 -16.195 6.170 221 HB2 LYS 29 2HB LYS 29 0.425 -15.797 8.881 222 HB3 LYS 29 3HB LYS 29 -1.132 -16.585 8.606 223 HG2 LYS 29 2HG LYS 29 0.049 -18.349 7.274 224 HG3 LYS 29 3HG LYS 29 1.587 -17.567 7.669 225 HD2 LYS 29 2HD LYS 29 1.130 -17.967 10.095 226 HD3 LYS 29 3HD LYS 29 -0.363 -18.808 9.655 227 HE2 LYS 29 2HE LYS 29 2.465 -19.648 8.920 228 HE3 LYS 29 3HE LYS 29 1.409 -20.431 10.097 229 HZ1 LYS 29 3HZ LYS 29 0.965 -20.269 7.164 230 HZ2 LYS 29 1HZ LYS 29 -0.125 -20.945 8.265 231 HZ3 LYS 29 2HZ LYS 29 1.398 -21.643 8.044 232 H ALA 30 H ALA 30 0.258 -13.797 8.601 233 HA ALA 30 HA ALA 30 -1.408 -11.673 7.571 234 HB1 ALA 30 3HB ALA 30 -2.238 -12.916 10.219 235 HB2 ALA 30 1HB ALA 30 -3.116 -13.085 8.699 236 HB3 ALA 30 2HB ALA 30 -2.955 -11.498 9.451 237 H GLU 31 H GLU 31 0.254 -12.874 10.519 238 HA GLU 31 HA GLU 31 0.740 -10.300 11.650 239 HB2 GLU 31 2HB GLU 31 0.700 -12.410 12.998 240 HB3 GLU 31 3HB GLU 31 2.202 -12.921 12.228 241 HG2 GLU 31 2HG GLU 31 3.353 -10.936 13.194 242 HG3 GLU 31 3HG GLU 31 1.849 -10.465 13.985 243 H GLU 32 H GLU 32 2.778 -12.542 9.836 244 HA GLU 32 HA GLU 32 5.149 -11.060 9.718 245 HB2 GLU 32 2HB GLU 32 4.209 -12.838 7.432 246 HB3 GLU 32 3HB GLU 32 5.858 -12.513 7.945 247 HG2 GLU 32 2HG GLU 32 5.672 -14.601 8.842 248 HG3 GLU 32 3HG GLU 32 4.969 -13.724 10.197 249 H ALA 33 H ALA 33 2.368 -11.246 7.536 250 HA ALA 33 HA ALA 33 3.136 -9.413 5.561 251 HB1 ALA 33 3HB ALA 33 1.255 -10.976 5.288 252 HB2 ALA 33 1HB ALA 33 0.739 -9.316 4.984 253 HB3 ALA 33 2HB ALA 33 0.333 -10.102 6.515 254 H LYS 34 H LYS 34 1.581 -8.911 8.697 255 HA LYS 34 HA LYS 34 0.817 -6.198 8.371 256 HB2 LYS 34 2HB LYS 34 -0.201 -7.730 10.046 257 HB3 LYS 34 3HB LYS 34 1.316 -7.768 10.937 258 HG2 LYS 34 2HG LYS 34 1.110 -5.390 11.474 259 HG3 LYS 34 3HG LYS 34 -0.350 -5.265 10.484 260 HD2 LYS 34 2HD LYS 34 -1.525 -6.818 12.007 261 HD3 LYS 34 3HD LYS 34 -0.060 -6.988 12.983 262 HE2 LYS 34 2HE LYS 34 -1.665 -5.422 14.015 263 HE3 LYS 34 3HE LYS 34 -0.164 -4.604 13.577 264 HZ1 LYS 34 3HZ LYS 34 -2.149 -3.325 12.988 265 HZ2 LYS 34 1HZ LYS 34 -2.658 -4.561 11.958 266 HZ3 LYS 34 2HZ LYS 34 -1.236 -3.710 11.625 267 H GLU 35 H GLU 35 3.803 -7.722 9.357 268 HA GLU 35 HA GLU 35 5.159 -5.428 10.375 269 HB2 GLU 35 2HB GLU 35 5.703 -7.996 10.561 270 HB3 GLU 35 3HB GLU 35 6.561 -7.771 9.045 271 HG2 GLU 35 2HG GLU 35 7.126 -6.401 11.694 272 HG3 GLU 35 3HG GLU 35 8.084 -7.685 10.966 273 H LEU 36 H LEU 36 5.198 -7.079 7.181 274 HA LEU 36 HA LEU 36 6.749 -5.257 5.719 275 HB2 LEU 36 2HB LEU 36 4.548 -7.177 4.893 276 HB3 LEU 36 3HB LEU 36 5.296 -6.125 3.705 277 HG LEU 36 HG LEU 36 6.347 -8.244 3.505 278 HD11 LEU 36 1HD1 LEU 36 7.887 -6.330 3.316 279 HD12 LEU 36 2HD1 LEU 36 8.707 -7.766 3.917 280 HD13 LEU 36 3HD1 LEU 36 8.294 -6.462 5.032 281 HD21 LEU 36 3HD2 LEU 36 7.486 -9.455 5.317 282 HD22 LEU 36 1HD2 LEU 36 5.767 -9.256 5.660 283 HD23 LEU 36 2HD2 LEU 36 6.954 -8.244 6.488 284 H LEU 37 H LEU 37 3.348 -5.253 6.474 285 HA LEU 37 HA LEU 37 2.304 -3.229 4.887 286 HB2 LEU 37 2HB LEU 37 1.011 -4.813 6.173 287 HB3 LEU 37 3HB LEU 37 1.628 -4.196 7.675 288 HG LEU 37 HG LEU 37 -0.157 -2.469 5.928 289 HD11 LEU 37 1HD1 LEU 37 -2.090 -3.314 7.236 290 HD12 LEU 37 2HD1 LEU 37 -1.055 -4.532 7.979 291 HD13 LEU 37 3HD1 LEU 37 -1.366 -4.572 6.239 292 HD21 LEU 37 3HD2 LEU 37 0.376 -2.520 8.929 293 HD22 LEU 37 1HD2 LEU 37 -0.775 -1.443 8.119 294 HD23 LEU 37 2HD2 LEU 37 0.950 -1.303 7.790 295 H LYS 38 H LYS 38 3.719 -3.041 8.155 296 HA LYS 38 HA LYS 38 3.434 -0.255 8.498 297 HB2 LYS 38 2HB LYS 38 3.845 -1.710 10.423 298 HB3 LYS 38 3HB LYS 38 5.411 -2.199 9.774 299 HG2 LYS 38 2HG LYS 38 6.295 0.051 10.066 300 HG3 LYS 38 3HG LYS 38 4.710 0.651 10.558 301 HD2 LYS 38 2HD LYS 38 4.811 -0.716 12.604 302 HD3 LYS 38 3HD LYS 38 6.372 -1.380 12.099 303 HE2 LYS 38 2HE LYS 38 6.627 0.447 13.761 304 HE3 LYS 38 3HE LYS 38 7.391 0.836 12.221 305 HZ1 LYS 38 3HZ LYS 38 5.542 2.237 11.648 306 HZ2 LYS 38 1HZ LYS 38 6.123 2.701 13.167 307 HZ3 LYS 38 2HZ LYS 38 4.701 1.797 13.045 308 H LYS 39 H LYS 39 6.106 -2.254 7.231 309 HA LYS 39 HA LYS 39 8.012 -0.183 7.009 310 HB2 LYS 39 2HB LYS 39 7.837 -2.879 5.615 311 HB3 LYS 39 3HB LYS 39 9.237 -1.810 5.491 312 HG2 LYS 39 2HG LYS 39 8.150 -2.960 8.086 313 HG3 LYS 39 3HG LYS 39 9.534 -3.599 7.194 314 HD2 LYS 39 2HD LYS 39 10.797 -1.530 7.577 315 HD3 LYS 39 3HD LYS 39 9.397 -0.764 8.332 316 HE2 LYS 39 2HE LYS 39 11.125 -1.564 9.966 317 HE3 LYS 39 3HE LYS 39 9.527 -2.257 10.234 318 HZ1 LYS 39 3HZ LYS 39 10.213 -4.295 9.261 319 HZ2 LYS 39 1HZ LYS 39 11.387 -3.865 10.400 320 HZ3 LYS 39 2HZ LYS 39 11.690 -3.648 8.751 321 H VAL 40 H VAL 40 5.557 -1.306 4.714 322 HA VAL 40 HA VAL 40 6.351 0.341 2.516 323 HB VAL 40 HB VAL 40 3.543 -0.711 3.149 324 HG11 VAL 40 1HG1 VAL 40 4.686 0.317 0.515 325 HG12 VAL 40 2HG1 VAL 40 3.470 1.128 1.506 326 HG13 VAL 40 3HG1 VAL 40 3.088 -0.408 0.725 327 HG21 VAL 40 3HG2 VAL 40 4.069 -2.551 1.589 328 HG22 VAL 40 1HG2 VAL 40 5.182 -2.535 2.956 329 HG23 VAL 40 2HG2 VAL 40 5.707 -1.921 1.389 330 H ALA 41 H ALA 41 4.058 0.753 5.210 331 HA ALA 41 HA ALA 41 3.081 3.324 4.556 332 HB1 ALA 41 3HB ALA 41 3.288 2.012 7.290 333 HB2 ALA 41 1HB ALA 41 1.956 1.819 6.147 334 HB3 ALA 41 2HB ALA 41 2.268 3.394 6.878 335 H GLU 42 H GLU 42 5.982 2.322 6.323 336 HA GLU 42 HA GLU 42 6.668 4.830 7.475 337 HB2 GLU 42 2HB GLU 42 8.474 2.475 6.760 338 HB3 GLU 42 3HB GLU 42 8.959 3.848 7.751 339 HG2 GLU 42 2HG GLU 42 6.963 1.680 8.422 340 HG3 GLU 42 3HG GLU 42 8.514 1.991 9.191 341 H LYS 43 H LYS 43 7.767 3.072 4.582 342 HA LYS 43 HA LYS 43 9.561 5.106 3.700 343 HB2 LYS 43 2HB LYS 43 8.475 2.623 2.324 344 HB3 LYS 43 3HB LYS 43 9.645 3.696 1.557 345 HG2 LYS 43 2HG LYS 43 10.040 2.077 4.096 346 HG3 LYS 43 3HG LYS 43 10.818 1.808 2.531 347 HD2 LYS 43 2HD LYS 43 12.007 3.986 2.755 348 HD3 LYS 43 3HD LYS 43 11.201 4.268 4.299 349 HE2 LYS 43 2HE LYS 43 12.337 2.254 5.225 350 HE3 LYS 43 3HE LYS 43 13.208 2.071 3.695 351 HZ1 LYS 43 3HZ LYS 43 14.556 3.271 5.293 352 HZ2 LYS 43 1HZ LYS 43 13.335 4.420 5.514 353 HZ3 LYS 43 2HZ LYS 43 14.126 4.307 4.028 354 H ALA 44 H ALA 44 6.200 4.376 2.984 355 HA ALA 44 HA ALA 44 5.907 6.066 0.701 356 HB1 ALA 44 3HB ALA 44 4.318 4.241 1.170 357 HB2 ALA 44 1HB ALA 44 3.479 5.789 1.051 358 HB3 ALA 44 2HB ALA 44 3.778 5.065 2.635 359 H ALA 45 H ALA 45 5.199 6.491 4.180 360 HA ALA 45 HA ALA 45 4.321 9.167 4.100 361 HB1 ALA 45 3HB ALA 45 3.959 7.695 6.032 362 HB2 ALA 45 1HB ALA 45 4.762 9.187 6.524 363 HB3 ALA 45 2HB ALA 45 5.691 7.690 6.370 364 H ASP 46 H ASP 46 7.516 7.731 4.208 365 HA ASP 46 HA ASP 46 9.107 10.032 4.741 366 HB2 ASP 46 2HB ASP 46 9.858 7.666 5.038 367 HB3 ASP 46 3HB ASP 46 9.799 7.441 3.301 368 H LYS 47 H LYS 47 7.995 8.443 1.755 369 HA LYS 47 HA LYS 47 9.403 9.965 -0.143 370 HB2 LYS 47 2HB LYS 47 6.667 8.644 -0.397 371 HB3 LYS 47 3HB LYS 47 7.562 9.316 -1.758 372 HG2 LYS 47 2HG LYS 47 8.412 6.988 -0.019 373 HG3 LYS 47 3HG LYS 47 7.803 6.897 -1.670 374 HD2 LYS 47 2HD LYS 47 9.797 8.198 -2.435 375 HD3 LYS 47 3HD LYS 47 10.407 8.193 -0.775 376 HE2 LYS 47 2HE LYS 47 10.563 5.744 -0.826 377 HE3 LYS 47 3HE LYS 47 9.899 5.716 -2.464 378 HZ1 LYS 47 3HZ LYS 47 12.432 7.058 -1.685 379 HZ2 LYS 47 1HZ LYS 47 11.816 6.910 -3.253 380 HZ3 LYS 47 2HZ LYS 47 12.331 5.539 -2.413 381 H ILE 48 H ILE 48 6.298 10.492 1.443 382 HA ILE 48 HA ILE 48 5.436 12.749 -0.024 383 HB ILE 48 HB ILE 48 4.693 12.001 2.846 384 HG12 ILE 48 2HG1 ILE 48 3.022 11.278 0.407 385 HG13 ILE 48 3HG1 ILE 48 4.327 10.221 0.926 386 HG21 ILE 48 1HG2 ILE 48 4.014 14.295 2.256 387 HG22 ILE 48 2HG2 ILE 48 2.598 13.258 2.408 388 HG23 ILE 48 3HG2 ILE 48 3.197 13.700 0.808 389 HD11 ILE 48 3HD1 ILE 48 2.163 9.493 1.746 390 HD12 ILE 48 1HD1 ILE 48 1.958 11.013 2.608 391 HD13 ILE 48 2HD1 ILE 48 3.245 9.903 3.071 392 H LYS 49 H LYS 49 7.569 12.404 2.812 393 HA LYS 49 HA LYS 49 7.528 15.203 3.485 394 HB2 LYS 49 2HB LYS 49 8.024 13.374 5.150 395 HB3 LYS 49 3HB LYS 49 9.600 13.168 4.386 396 HG2 LYS 49 2HG LYS 49 10.292 15.393 5.006 397 HG3 LYS 49 3HG LYS 49 8.656 15.824 5.517 398 HD2 LYS 49 2HD LYS 49 8.834 14.134 7.365 399 HD3 LYS 49 3HD LYS 49 10.508 13.826 6.885 400 HE2 LYS 49 2HE LYS 49 11.076 16.181 7.365 401 HE3 LYS 49 3HE LYS 49 9.400 16.499 7.822 402 HZ1 LYS 49 3HZ LYS 49 10.691 16.145 9.789 403 HZ2 LYS 49 1HZ LYS 49 11.302 14.682 9.204 404 HZ3 LYS 49 2HZ LYS 49 9.667 14.819 9.592 405 H LYS 50 H LYS 50 9.539 13.214 1.391 406 HA LYS 50 HA LYS 50 11.444 15.307 0.783 407 HB2 LYS 50 2HB LYS 50 10.848 12.592 -0.418 408 HB3 LYS 50 3HB LYS 50 11.830 13.729 -1.327 409 HG2 LYS 50 2HG LYS 50 13.303 12.244 -0.165 410 HG3 LYS 50 3HG LYS 50 13.429 13.839 0.588 411 HD2 LYS 50 2HD LYS 50 11.924 13.064 2.419 412 HD3 LYS 50 3HD LYS 50 11.844 11.469 1.664 413 HE2 LYS 50 2HE LYS 50 14.274 11.193 1.995 414 HE3 LYS 50 3HE LYS 50 14.361 12.797 2.729 415 HZ1 LYS 50 3HZ LYS 50 12.821 11.998 4.456 416 HZ2 LYS 50 1HZ LYS 50 14.275 11.139 4.429 417 HZ3 LYS 50 2HZ LYS 50 12.881 10.451 3.780 418 H GLN 51 H GLN 51 8.538 14.008 -0.756 419 HA GLN 51 HA GLN 51 8.018 16.448 -2.267 420 HB2 GLN 51 2HB GLN 51 9.466 15.238 -3.846 421 HB3 GLN 51 3HB GLN 51 8.561 13.747 -3.606 422 HG2 GLN 51 2HG GLN 51 7.941 14.675 -5.738 423 HG3 GLN 51 3HG GLN 51 6.564 14.830 -4.651 424 HE21 GLN 51 1HE2 GLN 51 5.575 16.546 -5.667 425 HE22 GLN 51 2HE2 GLN 51 6.274 18.121 -5.799 426 H GLY 52 H GLY 52 5.834 16.779 -2.088 427 HA2 GLY 52 2HA GLY 52 4.007 14.982 -0.902 428 HA3 GLY 52 3HA GLY 52 3.591 16.436 -1.799 429 H CYS 53 H CYS 53 4.121 12.967 -2.035 430 HA CYS 53 HA CYS 53 3.311 12.735 -4.792 431 HB2 CYS 53 2HB CYS 53 3.241 10.272 -4.289 432 HB3 CYS 53 3HB CYS 53 4.773 11.031 -3.873 433 HG CYS 53 HG CYS 53 2.391 10.509 -1.488 434 H LYS 54 H LYS 54 1.401 13.796 -5.000 435 HA LYS 54 HA LYS 54 -0.792 13.550 -3.179 436 HB2 LYS 54 2HB LYS 54 -1.912 15.175 -4.515 437 HB3 LYS 54 3HB LYS 54 -0.212 15.622 -4.523 438 HG2 LYS 54 2HG LYS 54 -0.053 14.475 -6.807 439 HG3 LYS 54 3HG LYS 54 -1.814 14.369 -6.780 440 HD2 LYS 54 2HD LYS 54 -0.071 16.852 -6.910 441 HD3 LYS 54 3HD LYS 54 -1.301 16.315 -8.052 442 HE2 LYS 54 2HE LYS 54 -1.789 17.434 -5.266 443 HE3 LYS 54 3HE LYS 54 -2.096 18.242 -6.800 444 HZ1 LYS 54 3HZ LYS 54 -3.799 16.627 -7.300 445 HZ2 LYS 54 1HZ LYS 54 -4.119 17.355 -5.805 446 HZ3 LYS 54 2HZ LYS 54 -3.484 15.790 -5.872 447 H ARG 55 H ARG 55 0.245 11.652 -5.780 448 HA ARG 55 HA ARG 55 -2.201 10.013 -5.569 449 HB2 ARG 55 2HB ARG 55 -2.211 11.092 -7.806 450 HB3 ARG 55 3HB ARG 55 -0.573 10.525 -8.111 451 HG2 ARG 55 2HG ARG 55 -1.394 8.170 -8.060 452 HG3 ARG 55 3HG ARG 55 -3.037 8.761 -7.791 453 HD2 ARG 55 2HD ARG 55 -2.967 9.923 -9.978 454 HD3 ARG 55 3HD ARG 55 -1.319 9.338 -10.232 455 HE ARG 55 HE ARG 55 -2.994 7.133 -9.761 456 HH11 ARG 55 1HH1 ARG 55 -2.476 9.569 -12.261 457 HH12 ARG 55 2HH1 ARG 55 -3.023 8.540 -13.544 458 HH21 ARG 55 1HH2 ARG 55 -3.689 5.787 -11.472 459 HH22 ARG 55 2HH2 ARG 55 -3.707 6.402 -13.091 460 H VAL 56 H VAL 56 -1.609 8.204 -4.588 461 HA VAL 56 HA VAL 56 1.046 6.994 -5.044 462 HB VAL 56 HB VAL 56 -0.921 6.546 -2.740 463 HG11 VAL 56 1HG1 VAL 56 0.406 4.532 -3.175 464 HG12 VAL 56 2HG1 VAL 56 0.869 5.269 -1.640 465 HG13 VAL 56 3HG1 VAL 56 1.897 5.471 -3.062 466 HG21 VAL 56 3HG2 VAL 56 1.698 8.087 -2.733 467 HG22 VAL 56 1HG2 VAL 56 0.712 7.740 -1.309 468 HG23 VAL 56 2HG2 VAL 56 0.079 8.777 -2.591 469 H LYS 57 H LYS 57 1.079 4.784 -5.618 470 HA LYS 57 HA LYS 57 -1.469 3.526 -6.411 471 HB2 LYS 57 2HB LYS 57 0.922 4.134 -8.197 472 HB3 LYS 57 3HB LYS 57 -0.177 2.815 -8.578 473 HG2 LYS 57 2HG LYS 57 -1.995 4.275 -8.990 474 HG3 LYS 57 3HG LYS 57 -1.221 5.623 -8.161 475 HD2 LYS 57 2HD LYS 57 -1.325 5.809 -10.681 476 HD3 LYS 57 3HD LYS 57 0.268 6.029 -9.974 477 HE2 LYS 57 2HE LYS 57 -0.606 3.376 -11.146 478 HE3 LYS 57 3HE LYS 57 0.100 4.653 -12.133 479 HZ1 LYS 57 3HZ LYS 57 1.374 3.082 -9.985 480 HZ2 LYS 57 1HZ LYS 57 2.003 4.586 -10.449 481 HZ3 LYS 57 2HZ LYS 57 1.887 3.329 -11.572 482 H ILE 58 H ILE 58 -1.498 1.424 -6.005 483 HA ILE 58 HA ILE 58 0.962 -0.146 -5.582 484 HB ILE 58 HB ILE 58 -1.359 0.064 -3.576 485 HG12 ILE 58 2HG1 ILE 58 1.645 0.465 -3.162 486 HG13 ILE 58 3HG1 ILE 58 0.458 1.756 -3.297 487 HG21 ILE 58 1HG2 ILE 58 0.853 -2.027 -3.578 488 HG22 ILE 58 2HG2 ILE 58 -0.862 -2.321 -3.873 489 HG23 ILE 58 3HG2 ILE 58 -0.322 -1.781 -2.283 490 HD11 ILE 58 3HD1 ILE 58 1.089 1.408 -1.003 491 HD12 ILE 58 1HD1 ILE 58 0.616 -0.288 -1.082 492 HD13 ILE 58 2HD1 ILE 58 -0.606 0.981 -1.227 493 H ARG 59 H ARG 59 0.734 -1.980 -6.797 494 HA ARG 59 HA ARG 59 -1.967 -3.132 -7.132 495 HB2 ARG 59 2HB ARG 59 -1.705 -3.555 -9.474 496 HB3 ARG 59 3HB ARG 59 -1.351 -1.851 -9.221 497 HG2 ARG 59 2HG ARG 59 1.070 -2.330 -9.398 498 HG3 ARG 59 3HG ARG 59 0.712 -4.041 -9.645 499 HD2 ARG 59 2HD ARG 59 -0.010 -1.731 -11.479 500 HD3 ARG 59 3HD ARG 59 1.149 -3.023 -11.799 501 HE ARG 59 HE ARG 59 -0.737 -4.583 -11.872 502 HH11 ARG 59 1HH1 ARG 59 -1.497 -1.179 -12.261 503 HH12 ARG 59 2HH1 ARG 59 -2.995 -1.474 -13.068 504 HH21 ARG 59 1HH2 ARG 59 -2.749 -4.971 -12.895 505 HH22 ARG 59 2HH2 ARG 59 -3.703 -3.628 -13.429 506 H PHE 60 H PHE 60 -1.929 -5.404 -7.658 507 HA PHE 60 HA PHE 60 0.371 -6.990 -6.901 508 HB2 PHE 60 2HB PHE 60 -0.231 -6.130 -4.685 509 HB3 PHE 60 3HB PHE 60 -1.944 -6.439 -4.976 510 HD1 PHE 60 HD2 PHE 60 1.300 -8.347 -4.832 511 HD2 PHE 60 HD1 PHE 60 -2.899 -8.383 -4.041 512 HE1 PHE 60 HE2 PHE 60 1.496 -10.599 -3.876 513 HE2 PHE 60 HE1 PHE 60 -2.692 -10.642 -3.092 514 HZ PHE 60 HZ PHE 60 -0.498 -11.751 -3.010 515 H GLU 61 H GLU 61 0.013 -9.172 -7.460 516 HA GLU 61 HA GLU 61 -2.107 -9.721 -9.273 517 HB2 GLU 61 2HB GLU 61 -0.051 -11.554 -7.989 518 HB3 GLU 61 3HB GLU 61 -1.246 -12.135 -9.139 519 HG2 GLU 61 2HG GLU 61 0.780 -11.806 -10.342 520 HG3 GLU 61 3HG GLU 61 -0.335 -10.528 -10.829 521 H LYS 62 H LYS 62 -4.094 -10.374 -8.897 522 HA LYS 62 HA LYS 62 -4.837 -11.517 -6.273 523 HB2 LYS 62 2HB LYS 62 -5.796 -9.163 -7.403 524 HB3 LYS 62 3HB LYS 62 -7.011 -10.304 -7.955 525 HG2 LYS 62 2HG LYS 62 -6.207 -9.802 -5.073 526 HG3 LYS 62 3HG LYS 62 -7.654 -9.174 -5.855 527 HD2 LYS 62 2HD LYS 62 -7.151 -12.160 -5.631 528 HD3 LYS 62 3HD LYS 62 -7.855 -11.247 -4.296 529 HE2 LYS 62 2HE LYS 62 -9.617 -12.284 -5.591 530 HE3 LYS 62 3HE LYS 62 -9.712 -10.540 -5.776 531 HZ1 LYS 62 3HZ LYS 62 -8.639 -10.779 -7.959 532 HZ2 LYS 62 1HZ LYS 62 -10.083 -11.654 -7.868 533 HZ3 LYS 62 2HZ LYS 62 -8.603 -12.458 -7.763 534 H LYS 63 H LYS 63 -3.907 -13.442 -7.572 535 HA LYS 63 HA LYS 63 -6.038 -15.256 -8.050 536 HB2 LYS 63 2HB LYS 63 -6.050 -14.102 -10.287 537 HB3 LYS 63 3HB LYS 63 -4.366 -14.548 -10.516 538 HG2 LYS 63 2HG LYS 63 -5.012 -16.945 -10.517 539 HG3 LYS 63 3HG LYS 63 -6.699 -16.484 -10.300 540 HD2 LYS 63 2HD LYS 63 -4.982 -15.759 -12.712 541 HD3 LYS 63 3HD LYS 63 -6.136 -17.089 -12.652 542 HE2 LYS 63 2HE LYS 63 -7.274 -15.349 -13.781 543 HE3 LYS 63 3HE LYS 63 -7.928 -15.308 -12.145 544 HZ1 LYS 63 3HZ LYS 63 -7.370 -13.111 -13.128 545 HZ2 LYS 63 1HZ LYS 63 -5.738 -13.537 -13.089 546 HZ3 LYS 63 2HZ LYS 63 -6.615 -13.402 -11.649 547 H GLY 64 H GLY 64 -5.282 -17.401 -7.919 548 HA2 GLY 64 2HA GLY 64 -3.838 -19.156 -7.534 549 HA3 GLY 64 3HA GLY 64 -2.525 -18.169 -8.162 550 H LEU 65 H LEU 65 -4.309 -16.725 -5.633 551 HA LEU 65 HA LEU 65 -2.082 -16.908 -3.769 552 HB2 LEU 65 2HB LEU 65 -4.772 -15.551 -3.306 553 HB3 LEU 65 3HB LEU 65 -3.253 -15.219 -2.487 554 HG LEU 65 HG LEU 65 -3.917 -14.529 -5.384 555 HD11 LEU 65 1HD1 LEU 65 -3.896 -12.201 -4.632 556 HD12 LEU 65 2HD1 LEU 65 -3.624 -12.724 -2.967 557 HD13 LEU 65 3HD1 LEU 65 -5.131 -13.138 -3.790 558 HD21 LEU 65 3HD2 LEU 65 -1.530 -15.015 -5.184 559 HD22 LEU 65 1HD2 LEU 65 -1.389 -13.918 -3.808 560 HD23 LEU 65 2HD2 LEU 65 -1.783 -13.286 -5.410 561 H ASP 66 H ASP 66 -5.560 -17.162 -3.194 562 HA ASP 66 HA ASP 66 -6.234 -19.560 -2.302 563 HB2 ASP 66 2HB ASP 66 -4.269 -19.712 -0.772 564 HB3 ASP 66 3HB ASP 66 -4.714 -18.194 -0.008 565 H ASP 67 H ASP 67 -8.161 -19.410 -0.741 566 HA ASP 67 HA ASP 67 -9.661 -17.013 -1.280 567 HB2 ASP 67 2HB ASP 67 -11.509 -18.065 -0.070 568 HB3 ASP 67 3HB ASP 67 -10.763 -19.240 -1.145 569 H ASP 68 H ASP 68 -8.037 -18.306 1.639 570 HA ASP 68 HA ASP 68 -8.860 -16.173 3.391 571 HB2 ASP 68 2HB ASP 68 -8.163 -18.396 4.265 572 HB3 ASP 68 3HB ASP 68 -6.530 -18.140 3.666 573 H ALA 69 H ALA 69 -5.861 -16.905 1.597 574 HA ALA 69 HA ALA 69 -4.357 -14.631 2.279 575 HB1 ALA 69 3HB ALA 69 -3.395 -16.633 1.230 576 HB2 ALA 69 1HB ALA 69 -2.959 -15.170 0.348 577 HB3 ALA 69 2HB ALA 69 -4.218 -16.240 -0.283 578 H ARG 70 H ARG 70 -6.839 -15.054 -0.149 579 HA ARG 70 HA ARG 70 -6.537 -12.787 -1.764 580 HB2 ARG 70 2HB ARG 70 -8.037 -14.701 -2.227 581 HB3 ARG 70 3HB ARG 70 -9.059 -14.271 -0.873 582 HG2 ARG 70 2HG ARG 70 -8.687 -12.417 -3.232 583 HG3 ARG 70 3HG ARG 70 -9.843 -13.741 -3.286 584 HD2 ARG 70 2HD ARG 70 -10.882 -12.711 -1.168 585 HD3 ARG 70 3HD ARG 70 -9.880 -11.297 -1.491 586 HE ARG 70 HE ARG 70 -11.060 -11.016 -3.596 587 HH11 ARG 70 1HH1 ARG 70 -12.591 -13.161 -1.273 588 HH12 ARG 70 2HH1 ARG 70 -14.164 -12.982 -1.972 589 HH21 ARG 70 1HH2 ARG 70 -13.132 -10.781 -4.472 590 HH22 ARG 70 2HH2 ARG 70 -14.465 -11.640 -3.773 591 H LYS 71 H LYS 71 -8.408 -13.269 1.210 592 HA LYS 71 HA LYS 71 -9.353 -10.562 1.390 593 HB2 LYS 71 2HB LYS 71 -10.633 -12.545 2.207 594 HB3 LYS 71 3HB LYS 71 -9.429 -12.782 3.472 595 HG2 LYS 71 2HG LYS 71 -10.025 -10.672 4.518 596 HG3 LYS 71 3HG LYS 71 -11.102 -10.264 3.175 597 HD2 LYS 71 2HD LYS 71 -12.539 -12.219 3.761 598 HD3 LYS 71 3HD LYS 71 -11.481 -12.572 5.133 599 HE2 LYS 71 2HE LYS 71 -12.043 -10.389 6.128 600 HE3 LYS 71 3HE LYS 71 -13.072 -10.013 4.743 601 HZ1 LYS 71 3HZ LYS 71 -14.409 -10.797 6.547 602 HZ2 LYS 71 1HZ LYS 71 -13.486 -12.202 6.704 603 HZ3 LYS 71 2HZ LYS 71 -14.429 -11.959 5.326 604 H LYS 72 H LYS 72 -6.680 -12.392 2.783 605 HA LYS 72 HA LYS 72 -5.857 -10.547 4.766 606 HB2 LYS 72 2HB LYS 72 -4.301 -12.661 3.222 607 HB3 LYS 72 3HB LYS 72 -3.558 -11.687 4.488 608 HG2 LYS 72 2HG LYS 72 -5.871 -13.625 4.833 609 HG3 LYS 72 3HG LYS 72 -4.198 -13.874 5.349 610 HD2 LYS 72 2HD LYS 72 -4.451 -11.868 6.879 611 HD3 LYS 72 3HD LYS 72 -6.162 -11.809 6.435 612 HE2 LYS 72 2HE LYS 72 -4.750 -14.112 7.830 613 HE3 LYS 72 3HE LYS 72 -5.858 -12.960 8.576 614 HZ1 LYS 72 3HZ LYS 72 -7.609 -13.783 7.134 615 HZ2 LYS 72 1HZ LYS 72 -6.958 -15.029 8.073 616 HZ3 LYS 72 2HZ LYS 72 -6.545 -14.896 6.442 617 H ALA 73 H ALA 73 -4.905 -10.969 1.377 618 HA ALA 73 HA ALA 73 -2.990 -8.835 1.301 619 HB1 ALA 73 3HB ALA 73 -4.362 -10.316 -0.970 620 HB2 ALA 73 1HB ALA 73 -2.845 -10.780 -0.196 621 HB3 ALA 73 2HB ALA 73 -2.938 -9.279 -1.117 622 H LYS 74 H LYS 74 -6.425 -9.145 0.516 623 HA LYS 74 HA LYS 74 -6.889 -6.644 -0.688 624 HB2 LYS 74 2HB LYS 74 -8.647 -8.320 -0.756 625 HB3 LYS 74 3HB LYS 74 -8.690 -8.434 1.002 626 HG2 LYS 74 2HG LYS 74 -9.572 -6.123 1.137 627 HG3 LYS 74 3HG LYS 74 -9.532 -6.005 -0.624 628 HD2 LYS 74 2HD LYS 74 -11.198 -7.847 -0.764 629 HD3 LYS 74 3HD LYS 74 -11.241 -7.930 1.002 630 HE2 LYS 74 2HE LYS 74 -12.095 -5.623 1.098 631 HE3 LYS 74 3HE LYS 74 -12.011 -5.503 -0.661 632 HZ1 LYS 74 3HZ LYS 74 -13.721 -7.418 0.838 633 HZ2 LYS 74 1HZ LYS 74 -13.664 -7.232 -0.841 634 HZ3 LYS 74 2HZ LYS 74 -14.255 -5.982 0.127 635 H LYS 75 H LYS 75 -7.259 -7.669 2.715 636 HA LYS 75 HA LYS 75 -7.956 -5.131 3.740 637 HB2 LYS 75 2HB LYS 75 -8.526 -7.248 4.916 638 HB3 LYS 75 3HB LYS 75 -6.816 -7.539 5.227 639 HG2 LYS 75 2HG LYS 75 -6.729 -5.456 6.596 640 HG3 LYS 75 3HG LYS 75 -8.457 -5.219 6.319 641 HD2 LYS 75 2HD LYS 75 -8.962 -7.300 7.538 642 HD3 LYS 75 3HD LYS 75 -7.235 -7.627 7.738 643 HE2 LYS 75 2HE LYS 75 -7.017 -5.550 9.086 644 HE3 LYS 75 3HE LYS 75 -8.749 -5.266 8.910 645 HZ1 LYS 75 3HZ LYS 75 -9.160 -7.342 10.091 646 HZ2 LYS 75 1HZ LYS 75 -8.245 -6.279 11.032 647 HZ3 LYS 75 2HZ LYS 75 -7.502 -7.595 10.274 648 H TRP 76 H TRP 76 -4.902 -6.816 3.309 649 HA TRP 76 HA TRP 76 -3.143 -5.240 4.800 650 HB2 TRP 76 2HB TRP 76 -2.562 -7.417 3.709 651 HB3 TRP 76 3HB TRP 76 -2.610 -6.636 2.134 652 HD1 TRP 76 HD1 TRP 76 -0.454 -6.923 5.279 653 HE1 TRP 76 HE1 TRP 76 1.896 -6.044 4.751 654 HE3 TRP 76 HE3 TRP 76 -1.293 -4.976 0.616 655 HZ2 TRP 76 HZ2 TRP 76 3.235 -4.727 2.692 656 HZ3 TRP 76 HZ3 TRP 76 0.591 -3.927 -0.573 657 HH2 TRP 76 HH2 TRP 76 2.821 -3.810 0.452 658 H ALA 77 H ALA 77 -4.036 -4.991 1.355 659 HA ALA 77 HA ALA 77 -2.574 -2.634 0.791 660 HB1 ALA 77 3HB ALA 77 -3.234 -4.254 -0.933 661 HB2 ALA 77 1HB ALA 77 -3.797 -2.629 -1.335 662 HB3 ALA 77 2HB ALA 77 -4.931 -3.826 -0.699 663 H LEU 78 H LEU 78 -5.865 -3.173 1.956 664 HA LEU 78 HA LEU 78 -6.884 -0.524 1.699 665 HB2 LEU 78 2HB LEU 78 -7.614 -2.755 3.642 666 HB3 LEU 78 3HB LEU 78 -8.519 -1.256 3.508 667 HG LEU 78 HG LEU 78 -8.214 -3.293 1.263 668 HD11 LEU 78 1HD1 LEU 78 -9.516 -4.224 3.116 669 HD12 LEU 78 2HD1 LEU 78 -10.538 -3.913 1.715 670 HD13 LEU 78 3HD1 LEU 78 -10.581 -2.816 3.100 671 HD21 LEU 78 3HD2 LEU 78 -10.011 -2.032 0.157 672 HD22 LEU 78 1HD2 LEU 78 -8.583 -1.029 0.413 673 HD23 LEU 78 2HD2 LEU 78 -9.992 -0.841 1.462 674 H GLU 79 H GLU 79 -5.281 -2.252 4.360 675 HA GLU 79 HA GLU 79 -5.399 -0.240 6.327 676 HB2 GLU 79 2HB GLU 79 -3.532 -2.616 6.005 677 HB3 GLU 79 3HB GLU 79 -3.501 -1.567 7.418 678 HG2 GLU 79 2HG GLU 79 -5.970 -3.092 6.548 679 HG3 GLU 79 3HG GLU 79 -4.769 -3.764 7.644 680 H VAL 80 H VAL 80 -2.818 -1.160 4.038 681 HA VAL 80 HA VAL 80 -0.881 0.749 4.740 682 HB VAL 80 HB VAL 80 -1.387 -0.590 2.039 683 HG11 VAL 80 1HG1 VAL 80 1.069 0.962 2.943 684 HG12 VAL 80 2HG1 VAL 80 -0.063 1.441 1.675 685 HG13 VAL 80 3HG1 VAL 80 0.947 0.013 1.457 686 HG21 VAL 80 3HG2 VAL 80 -0.849 -2.180 3.842 687 HG22 VAL 80 1HG2 VAL 80 0.613 -1.271 4.228 688 HG23 VAL 80 2HG2 VAL 80 0.469 -2.094 2.671 689 H ALA 81 H ALA 81 -3.463 0.868 2.273 690 HA ALA 81 HA ALA 81 -3.009 3.381 1.136 691 HB1 ALA 81 3HB ALA 81 -5.359 3.284 0.417 692 HB2 ALA 81 1HB ALA 81 -5.674 1.998 1.593 693 HB3 ALA 81 2HB ALA 81 -4.588 1.707 0.232 694 H ASN 82 H ASN 82 -5.038 2.477 3.893 695 HA ASN 82 HA ASN 82 -5.927 5.114 4.524 696 HB2 ASN 82 2HB ASN 82 -6.189 2.409 5.849 697 HB3 ASN 82 3HB ASN 82 -6.556 3.853 6.795 698 HD21 ASN 82 1HD2 ASN 82 -7.504 2.003 3.937 699 HD22 ASN 82 2HD2 ASN 82 -9.084 2.666 3.816 700 H LYS 83 H LYS 83 -3.144 3.169 5.489 701 HA LYS 83 HA LYS 83 -2.344 4.690 7.750 702 HB2 LYS 83 2HB LYS 83 -0.862 2.804 5.893 703 HB3 LYS 83 3HB LYS 83 0.078 3.797 7.001 704 HG2 LYS 83 2HG LYS 83 -2.105 1.853 7.830 705 HG3 LYS 83 3HG LYS 83 -0.366 1.528 7.901 706 HD2 LYS 83 2HD LYS 83 -0.089 3.402 9.508 707 HD3 LYS 83 3HD LYS 83 -1.818 3.745 9.412 708 HE2 LYS 83 2HE LYS 83 -2.299 1.518 10.381 709 HE3 LYS 83 3HE LYS 83 -0.562 1.207 10.514 710 HZ1 LYS 83 3HZ LYS 83 -1.516 2.030 12.598 711 HZ2 LYS 83 1HZ LYS 83 -2.001 3.454 11.824 712 HZ3 LYS 83 2HZ LYS 83 -0.358 3.099 11.987 713 H ILE 84 H ILE 84 -1.306 4.832 4.356 714 HA ILE 84 HA ILE 84 0.397 7.069 4.483 715 HB ILE 84 HB ILE 84 -1.258 6.130 2.079 716 HG12 ILE 84 2HG1 ILE 84 1.590 5.250 2.758 717 HG13 ILE 84 3HG1 ILE 84 0.176 4.319 3.213 718 HG21 ILE 84 1HG2 ILE 84 0.521 7.106 0.682 719 HG22 ILE 84 2HG2 ILE 84 1.372 7.659 2.127 720 HG23 ILE 84 3HG2 ILE 84 -0.205 8.334 1.721 721 HD11 ILE 84 3HD1 ILE 84 1.172 3.427 1.200 722 HD12 ILE 84 1HD1 ILE 84 1.018 4.986 0.390 723 HD13 ILE 84 2HD1 ILE 84 -0.426 4.074 0.841 724 H ALA 85 H ALA 85 -3.084 6.763 3.967 725 HA ALA 85 HA ALA 85 -3.675 9.494 3.377 726 HB1 ALA 85 3HB ALA 85 -5.504 7.267 4.316 727 HB2 ALA 85 1HB ALA 85 -5.098 7.623 2.636 728 HB3 ALA 85 2HB ALA 85 -6.019 8.792 3.588 729 H ASN 86 H ASN 86 -3.560 7.621 6.385 730 HA ASN 86 HA ASN 86 -4.960 9.566 8.004 731 HB2 ASN 86 2HB ASN 86 -3.569 6.943 8.608 732 HB3 ASN 86 3HB ASN 86 -3.966 8.029 9.933 733 HD21 ASN 86 1HD2 ASN 86 -6.010 7.559 7.039 734 HD22 ASN 86 2HD2 ASN 86 -7.312 6.822 7.898 735 H GLU 87 H GLU 87 -1.553 8.678 7.488 736 HA GLU 87 HA GLU 87 -0.387 10.174 9.570 737 HB2 GLU 87 2HB GLU 87 0.882 9.550 6.865 738 HB3 GLU 87 3HB GLU 87 1.743 10.055 8.316 739 HG2 GLU 87 2HG GLU 87 0.351 7.420 7.803 740 HG3 GLU 87 3HG GLU 87 2.065 7.701 8.057 741 H LEU 88 H LEU 88 -1.515 11.116 6.420 742 HA LEU 88 HA LEU 88 -0.518 13.867 6.665 743 HB2 LEU 88 2HB LEU 88 -2.199 12.619 4.456 744 HB3 LEU 88 3HB LEU 88 -1.330 14.145 4.393 745 HG LEU 88 HG LEU 88 -0.165 11.344 4.356 746 HD11 LEU 88 1HD1 LEU 88 -0.085 13.607 2.343 747 HD12 LEU 88 2HD1 LEU 88 -1.044 12.129 2.233 748 HD13 LEU 88 3HD1 LEU 88 0.711 12.041 2.173 749 HD21 LEU 88 3HD2 LEU 88 1.294 12.675 5.789 750 HD22 LEU 88 1HD2 LEU 88 1.378 13.955 4.575 751 HD23 LEU 88 2HD2 LEU 88 2.078 12.369 4.243 752 H GLY 89 H GLY 89 -3.511 12.000 6.683 753 HA2 GLY 89 2HA GLY 89 -5.661 12.497 7.318 754 HA3 GLY 89 3HA GLY 89 -5.113 14.063 7.900 755 H ALA 90 H ALA 90 -4.912 12.585 4.676 756 HA ALA 90 HA ALA 90 -5.698 15.058 3.409 757 HB1 ALA 90 3HB ALA 90 -3.866 13.696 2.483 758 HB2 ALA 90 1HB ALA 90 -5.160 13.934 1.305 759 HB3 ALA 90 2HB ALA 90 -5.001 12.388 2.146 760 H LYS 91 H LYS 91 -6.841 11.747 2.758 761 HA LYS 91 HA LYS 91 -9.593 12.071 3.165 762 HB2 LYS 91 2HB LYS 91 -10.376 12.214 0.772 763 HB3 LYS 91 3HB LYS 91 -9.574 13.686 1.318 764 HG2 LYS 91 2HG LYS 91 -7.482 12.925 0.192 765 HG3 LYS 91 3HG LYS 91 -8.353 11.517 -0.423 766 HD2 LYS 91 2HD LYS 91 -9.002 14.425 -1.053 767 HD3 LYS 91 3HD LYS 91 -8.126 13.319 -2.111 768 HE2 LYS 91 2HE LYS 91 -10.144 11.890 -2.274 769 HE3 LYS 91 3HE LYS 91 -11.012 13.009 -1.218 770 HZ1 LYS 91 3HZ LYS 91 -9.886 13.669 -3.891 771 HZ2 LYS 91 1HZ LYS 91 -10.675 14.758 -2.869 772 HZ3 LYS 91 2HZ LYS 91 -11.521 13.454 -3.529 773 H GLN 92 H GLN 92 -10.624 10.362 1.204 774 HA GLN 92 HA GLN 92 -9.427 7.840 2.060 775 HB2 GLN 92 2HB GLN 92 -11.935 8.451 2.220 776 HB3 GLN 92 3HB GLN 92 -11.996 8.189 0.483 777 HG2 GLN 92 2HG GLN 92 -12.761 6.191 1.623 778 HG3 GLN 92 3HG GLN 92 -11.230 5.850 0.822 779 HE21 GLN 92 1HE2 GLN 92 -9.358 5.482 2.119 780 HE22 GLN 92 2HE2 GLN 92 -9.477 5.170 3.811 781 H SER 93 H SER 93 -9.154 6.086 0.555 782 HA SER 93 HA SER 93 -7.962 6.903 -2.003 783 HB2 SER 93 2HB SER 93 -6.763 4.635 -1.704 784 HB3 SER 93 3HB SER 93 -6.367 5.888 -0.532 785 HG SER 93 HG SER 93 -8.150 3.712 -0.154 786 H THR 94 H THR 94 -8.441 5.825 -3.907 787 HA THR 94 HA THR 94 -11.012 4.419 -4.063 788 HB THR 94 HB THR 94 -9.235 5.430 -6.349 789 HG1 THR 94 HG1 THR 94 -11.012 6.748 -4.644 790 HG21 THR 94 3HG2 THR 94 -11.337 5.447 -7.643 791 HG22 THR 94 1HG2 THR 94 -12.222 4.839 -6.252 792 HG23 THR 94 2HG2 THR 94 -11.007 3.818 -7.035 793 H THR 95 H THR 95 -10.963 2.244 -4.105 794 HA THR 95 HA THR 95 -8.443 0.810 -4.716 795 HB THR 95 HB THR 95 -9.372 -1.012 -3.275 796 HG1 THR 95 HG1 THR 95 -11.479 0.774 -2.579 797 HG21 THR 95 3HG2 THR 95 -9.432 1.717 -1.936 798 HG22 THR 95 1HG2 THR 95 -7.996 0.714 -2.182 799 HG23 THR 95 2HG2 THR 95 -9.278 0.173 -1.101 800 H THR 96 H THR 96 -8.483 -0.040 -6.759 801 HA THR 96 HA THR 96 -10.831 -1.227 -7.976 802 HB THR 96 HB THR 96 -7.890 -1.609 -8.777 803 HG1 THR 96 HG1 THR 96 -7.967 0.460 -9.218 804 HG21 THR 96 3HG2 THR 96 -10.442 -1.815 -10.427 805 HG22 THR 96 1HG2 THR 96 -9.474 -3.186 -9.873 806 HG23 THR 96 2HG2 THR 96 -8.801 -2.039 -11.034 807 H THR 97 H THR 97 -11.605 -3.096 -7.162 808 HA THR 97 HA THR 97 -9.863 -4.841 -5.545 809 HB THR 97 HB THR 97 -11.758 -3.881 -4.335 810 HG1 THR 97 HG1 THR 97 -12.450 -5.778 -3.438 811 HG21 THR 97 3HG2 THR 97 -13.343 -3.534 -6.204 812 HG22 THR 97 1HG2 THR 97 -14.096 -4.427 -4.880 813 HG23 THR 97 2HG2 THR 97 -13.576 -5.280 -6.335 814 H ASP 98 H ASP 98 -10.029 -7.074 -5.719 815 HA ASP 98 HA ASP 98 -10.064 -9.080 -6.683 816 HB2 ASP 98 2HB ASP 98 -12.644 -8.428 -6.522 817 HB3 ASP 98 3HB ASP 98 -12.546 -8.392 -8.277 818 H GLY 99 H GLY 99 -11.313 -9.383 -9.610 819 HA2 GLY 99 2HA GLY 99 -10.569 -9.368 -11.767 820 HA3 GLY 99 3HA GLY 99 -9.561 -7.981 -11.366 821 H ASP 100 H ASP 100 -8.018 -8.974 -12.792 822 HA ASP 100 HA ASP 100 -6.576 -11.348 -12.011 823 HB2 ASP 100 2HB ASP 100 -5.016 -10.759 -13.817 824 HB3 ASP 100 3HB ASP 100 -6.671 -10.600 -14.390 825 H THR 101 H THR 101 -6.455 -7.953 -11.248 826 HA THR 101 HA THR 101 -4.215 -8.337 -9.392 827 HB THR 101 HB THR 101 -3.288 -6.028 -10.228 828 HG1 THR 101 HG1 THR 101 -4.610 -6.871 -12.613 829 HG21 THR 101 3HG2 THR 101 -1.840 -7.099 -11.928 830 HG22 THR 101 1HG2 THR 101 -2.918 -8.500 -11.967 831 HG23 THR 101 2HG2 THR 101 -2.004 -8.126 -10.502 832 H PHE 102 H PHE 102 -4.773 -7.555 -7.483 833 HA PHE 102 HA PHE 102 -6.862 -5.626 -7.023 834 HB2 PHE 102 2HB PHE 102 -6.121 -7.546 -5.435 835 HB3 PHE 102 3HB PHE 102 -4.748 -6.537 -5.007 836 HD1 PHE 102 HD1 PHE 102 -5.093 -4.450 -3.678 837 HD2 PHE 102 HD2 PHE 102 -8.391 -6.985 -4.692 838 HE1 PHE 102 HE1 PHE 102 -6.503 -3.293 -2.025 839 HE2 PHE 102 HE2 PHE 102 -9.784 -5.821 -3.032 840 HZ PHE 102 HZ PHE 102 -8.845 -3.973 -1.700 841 H GLU 103 H GLU 103 -6.557 -3.449 -7.138 842 HA GLU 103 HA GLU 103 -3.831 -2.291 -7.142 843 HB2 GLU 103 2HB GLU 103 -4.424 -2.794 -9.463 844 HB3 GLU 103 3HB GLU 103 -6.005 -2.040 -9.273 845 HG2 GLU 103 2HG GLU 103 -4.842 0.150 -8.907 846 HG3 GLU 103 3HG GLU 103 -3.316 -0.661 -9.269 847 H VAL 104 H VAL 104 -3.921 -0.840 -5.469 848 HA VAL 104 HA VAL 104 -6.327 0.825 -5.041 849 HB VAL 104 HB VAL 104 -3.888 0.477 -3.235 850 HG11 VAL 104 1HG1 VAL 104 -6.556 1.852 -2.735 851 HG12 VAL 104 2HG1 VAL 104 -4.980 2.636 -2.874 852 HG13 VAL 104 3HG1 VAL 104 -5.318 1.572 -1.508 853 HG21 VAL 104 3HG2 VAL 104 -5.142 -1.629 -3.407 854 HG22 VAL 104 1HG2 VAL 104 -6.646 -0.789 -3.016 855 HG23 VAL 104 2HG2 VAL 104 -5.364 -0.915 -1.807 856 H GLU 105 H GLU 105 -6.320 2.809 -5.929 857 HA GLU 105 HA GLU 105 -3.888 4.455 -6.098 858 HB2 GLU 105 2HB GLU 105 -6.752 4.871 -7.068 859 HB3 GLU 105 3HB GLU 105 -5.566 6.171 -7.087 860 HG2 GLU 105 2HG GLU 105 -5.818 5.116 -9.292 861 HG3 GLU 105 3HG GLU 105 -4.173 4.962 -8.660 862 H VAL 106 H VAL 106 -3.367 5.536 -4.293 863 HA VAL 106 HA VAL 106 -5.434 6.414 -2.409 864 HB VAL 106 HB VAL 106 -2.423 6.729 -2.035 865 HG11 VAL 106 1HG1 VAL 106 -2.969 6.731 0.369 866 HG12 VAL 106 2HG1 VAL 106 -4.682 6.527 -0.014 867 HG13 VAL 106 3HG1 VAL 106 -3.843 8.004 -0.488 868 HG21 VAL 106 3HG2 VAL 106 -2.808 4.346 -2.503 869 HG22 VAL 106 1HG2 VAL 106 -4.056 4.285 -1.252 870 HG23 VAL 106 2HG2 VAL 106 -2.372 4.585 -0.809 871 H ILE 107 H ILE 107 -6.341 8.266 -3.129 872 HA ILE 107 HA ILE 107 -4.774 10.288 -4.568 873 HB ILE 107 HB ILE 107 -7.777 10.143 -4.001 874 HG12 ILE 107 2HG1 ILE 107 -7.048 8.345 -5.533 875 HG13 ILE 107 3HG1 ILE 107 -8.019 9.526 -6.401 876 HG21 ILE 107 1HG2 ILE 107 -7.083 12.475 -4.286 877 HG22 ILE 107 2HG2 ILE 107 -8.028 11.948 -5.680 878 HG23 ILE 107 3HG2 ILE 107 -6.271 12.074 -5.804 879 HD11 ILE 107 3HD1 ILE 107 -6.168 8.793 -7.754 880 HD12 ILE 107 1HD1 ILE 107 -5.010 9.245 -6.505 881 HD13 ILE 107 2HD1 ILE 107 -5.939 10.492 -7.344 882 H LEU 108 H LEU 108 -3.565 11.349 -3.115 883 HA LEU 108 HA LEU 108 -4.738 12.354 -0.597 884 HB2 LEU 108 2HB LEU 108 -1.857 12.217 -1.566 885 HB3 LEU 108 3HB LEU 108 -2.376 12.703 0.047 886 HG LEU 108 HG LEU 108 -2.842 9.941 -1.149 887 HD11 LEU 108 1HD1 LEU 108 -1.097 9.140 0.329 888 HD12 LEU 108 2HD1 LEU 108 -0.769 10.779 0.885 889 HD13 LEU 108 3HD1 LEU 108 -0.456 10.335 -0.794 890 HD21 LEU 108 3HD2 LEU 108 -4.541 10.543 0.497 891 HD22 LEU 108 1HD2 LEU 108 -3.291 10.986 1.667 892 HD23 LEU 108 2HD2 LEU 108 -3.468 9.307 1.148 893 H GLU 109 H GLU 109 -5.777 14.275 -0.993 894 HA GLU 109 HA GLU 109 -4.452 16.367 -2.594 895 HB2 GLU 109 2HB GLU 109 -7.229 16.300 -1.332 896 HB3 GLU 109 3HB GLU 109 -6.588 17.632 -2.299 897 HG2 GLU 109 2HG GLU 109 -6.346 16.079 -4.226 898 HG3 GLU 109 3HG GLU 109 -7.075 14.795 -3.267 899 H LEU 110 H LEU 110 -2.772 17.054 -1.332 900 HA LEU 110 HA LEU 110 -3.267 18.008 1.416 901 HB2 LEU 110 2HB LEU 110 -0.633 17.830 -0.106 902 HB3 LEU 110 3HB LEU 110 -0.812 18.369 1.550 903 HG LEU 110 HG LEU 110 -0.003 16.178 1.747 904 HD11 LEU 110 1HD1 LEU 110 -1.761 14.880 2.798 905 HD12 LEU 110 2HD1 LEU 110 -2.999 15.898 2.063 906 HD13 LEU 110 3HD1 LEU 110 -1.878 16.579 3.249 907 HD21 LEU 110 3HD2 LEU 110 -0.238 15.424 -0.546 908 HD22 LEU 110 1HD2 LEU 110 -1.983 15.246 -0.349 909 HD23 LEU 110 2HD2 LEU 110 -0.878 14.207 0.557 910 H GLU 111 H GLU 111 -4.093 19.279 -1.279 911 HA GLU 111 HA GLU 111 -3.006 21.882 -1.324 912 HB2 GLU 111 2HB GLU 111 -5.765 20.895 -2.191 913 HB3 GLU 111 3HB GLU 111 -5.143 22.503 -2.521 914 HG2 GLU 111 2HG GLU 111 -4.789 21.367 -4.536 915 HG3 GLU 111 3HG GLU 111 -3.210 21.341 -3.764 916 H HIS 112 H HIS 112 -5.375 20.319 0.707 917 HA HIS 112 HA HIS 112 -6.197 20.754 2.740 918 HB2 HIS 112 2HB HIS 112 -4.354 23.188 2.759 919 HB3 HIS 112 3HB HIS 112 -5.244 22.593 4.159 920 HD1 HIS 112 HD1 HIS 112 -1.969 22.580 3.101 921 HD2 HIS 112 HD2 HIS 112 -4.510 19.503 4.255 922 HE1 HIS 112 HE1 HIS 112 -0.472 20.682 3.768 923 HE2 HIS 112 HE2 HIS 112 -2.029 18.844 4.482 924 H HIS 113 H HIS 113 -7.273 22.012 0.200 925 HA HIS 113 HA HIS 113 -9.045 24.095 1.338 926 HB2 HIS 113 2HB HIS 113 -8.404 23.305 -1.540 927 HB3 HIS 113 3HB HIS 113 -9.754 24.364 -1.137 928 HD1 HIS 113 HD1 HIS 113 -8.963 26.586 -1.957 929 HD2 HIS 113 HD2 HIS 113 -6.076 24.654 0.304 930 HE1 HIS 113 HE1 HIS 113 -7.100 28.240 -1.690 931 HE2 HIS 113 HE2 HIS 113 -5.400 27.069 -0.247 932 H HIS 114 H HIS 114 -10.565 23.012 2.454 933 HA HIS 114 HA HIS 114 -11.693 20.483 1.752 934 HB2 HIS 114 2HB HIS 114 -12.543 22.588 3.791 935 HB3 HIS 114 3HB HIS 114 -13.348 21.032 3.622 936 HD1 HIS 114 HD1 HIS 114 -12.520 19.266 5.108 937 HD2 HIS 114 HD2 HIS 114 -9.638 22.200 4.500 938 HE1 HIS 114 HE1 HIS 114 -10.626 18.675 6.639 939 HE2 HIS 114 HE2 HIS 114 -8.872 20.429 6.211 940 H HIS 115 H HIS 115 -13.153 20.164 0.136 941 HA HIS 115 HA HIS 115 -15.255 22.206 -0.290 942 HB2 HIS 115 2HB HIS 115 -13.480 22.392 -2.081 943 HB3 HIS 115 3HB HIS 115 -13.850 20.740 -2.570 944 HD1 HIS 115 HD1 HIS 115 -15.018 24.231 -2.887 945 HD2 HIS 115 HD2 HIS 115 -16.450 20.440 -3.801 946 HE1 HIS 115 HE1 HIS 115 -16.975 24.599 -4.408 947 HE2 HIS 115 HE2 HIS 115 -17.962 22.309 -4.726 948 H HIS 116 H HIS 116 -16.709 20.976 0.866 949 HA HIS 116 HA HIS 116 -17.751 18.560 -0.486 950 HB2 HIS 116 2HB HIS 116 -18.603 19.869 2.153 951 HB3 HIS 116 3HB HIS 116 -19.301 18.400 1.474 952 HD1 HIS 116 HD1 HIS 116 -16.673 19.555 3.698 953 HD2 HIS 116 HD2 HIS 116 -17.345 16.190 1.364 954 HE1 HIS 116 HE1 HIS 116 -15.122 17.798 4.586 955 HE2 HIS 116 HE2 HIS 116 -15.421 15.844 3.040 956 H HIS 117 H HIS 117 -19.656 18.693 -1.637 957 HA HIS 117 HA HIS 117 -21.255 19.560 -2.976 958 HB2 HIS 117 2HB HIS 117 -22.481 20.328 -1.031 959 HB3 HIS 117 3HB HIS 117 -21.410 21.704 -0.821 960 HD1 HIS 117 HD1 HIS 117 -21.799 23.760 -2.320 961 HD2 HIS 117 HD2 HIS 117 -24.515 20.684 -2.969 962 HE1 HIS 117 HE1 HIS 117 -23.652 24.779 -3.668 963 HE2 HIS 117 HE2 HIS 117 -25.327 22.919 -3.968 Start of MODEL 14 1 H1 MET 1 1H MET 1 6.822 -27.761 0.917 2 H2 MET 1 2H MET 1 7.531 -26.592 -0.078 3 H3 MET 1 3H MET 1 6.682 -27.879 -0.765 4 HA MET 1 HA MET 1 4.644 -27.117 0.192 5 HB2 MET 1 2HB MET 1 5.559 -26.007 2.197 6 HB3 MET 1 3HB MET 1 6.347 -24.804 1.196 7 HG2 MET 1 2HG MET 1 4.098 -24.001 0.458 8 HG3 MET 1 3HG MET 1 3.364 -25.136 1.589 9 HE1 MET 1 3HE MET 1 3.728 -24.942 4.297 10 HE2 MET 1 1HE MET 1 4.706 -23.674 5.033 11 HE3 MET 1 2HE MET 1 5.477 -24.925 4.057 12 H ALA 2 H ALA 2 6.715 -24.349 -0.771 13 HA ALA 2 HA ALA 2 6.810 -22.977 -2.549 14 HB1 ALA 2 3HB ALA 2 6.461 -23.867 -4.811 15 HB2 ALA 2 1HB ALA 2 5.643 -25.281 -4.140 16 HB3 ALA 2 2HB ALA 2 7.356 -25.018 -3.815 17 H GLY 3 H GLY 3 5.467 -21.777 -4.255 18 HA2 GLY 3 2HA GLY 3 3.496 -20.791 -5.019 19 HA3 GLY 3 3HA GLY 3 2.561 -21.797 -3.924 20 H LYS 4 H LYS 4 4.024 -21.115 -1.543 21 HA LYS 4 HA LYS 4 2.834 -18.714 -0.658 22 HB2 LYS 4 2HB LYS 4 3.376 -20.643 0.826 23 HB3 LYS 4 3HB LYS 4 5.095 -20.396 0.542 24 HG2 LYS 4 2HG LYS 4 4.834 -18.097 1.622 25 HG3 LYS 4 3HG LYS 4 3.193 -18.582 2.059 26 HD2 LYS 4 2HD LYS 4 4.658 -18.952 3.959 27 HD3 LYS 4 3HD LYS 4 4.136 -20.519 3.336 28 HE2 LYS 4 2HE LYS 4 6.518 -20.555 3.912 29 HE3 LYS 4 3HE LYS 4 6.322 -20.750 2.168 30 HZ1 LYS 4 3HZ LYS 4 7.064 -18.244 3.592 31 HZ2 LYS 4 1HZ LYS 4 6.803 -18.365 1.925 32 HZ3 LYS 4 2HZ LYS 4 8.081 -19.200 2.641 33 H GLU 5 H GLU 5 3.569 -17.212 -2.283 34 HA GLU 5 HA GLU 5 5.820 -15.619 -1.558 35 HB2 GLU 5 2HB GLU 5 7.087 -15.831 -3.743 36 HB3 GLU 5 3HB GLU 5 7.174 -17.266 -2.731 37 HG2 GLU 5 2HG GLU 5 5.570 -18.439 -4.134 38 HG3 GLU 5 3HG GLU 5 5.280 -16.990 -5.094 39 H LEU 6 H LEU 6 3.350 -14.844 -1.533 40 HA LEU 6 HA LEU 6 2.198 -13.867 -3.940 41 HB2 LEU 6 2HB LEU 6 1.784 -13.009 -1.056 42 HB3 LEU 6 3HB LEU 6 0.888 -12.318 -2.397 43 HG LEU 6 HG LEU 6 0.005 -14.654 -2.901 44 HD11 LEU 6 1HD1 LEU 6 1.669 -16.002 -1.720 45 HD12 LEU 6 2HD1 LEU 6 0.040 -16.357 -1.149 46 HD13 LEU 6 3HD1 LEU 6 1.119 -15.355 -0.172 47 HD21 LEU 6 3HD2 LEU 6 -1.735 -14.536 -1.194 48 HD22 LEU 6 1HD2 LEU 6 -1.336 -12.929 -1.797 49 HD23 LEU 6 2HD2 LEU 6 -0.739 -13.453 -0.219 50 H ARG 7 H ARG 7 3.450 -12.587 -5.193 51 HA ARG 7 HA ARG 7 5.354 -10.698 -4.127 52 HB2 ARG 7 2HB ARG 7 5.952 -10.262 -6.466 53 HB3 ARG 7 3HB ARG 7 5.851 -11.995 -6.182 54 HG2 ARG 7 2HG ARG 7 3.623 -12.042 -7.277 55 HG3 ARG 7 3HG ARG 7 3.736 -10.303 -7.557 56 HD2 ARG 7 2HD ARG 7 4.312 -11.427 -9.598 57 HD3 ARG 7 3HD ARG 7 5.788 -10.722 -8.939 58 HE ARG 7 HE ARG 7 6.442 -12.937 -8.192 59 HH11 ARG 7 1HH1 ARG 7 3.831 -12.861 -10.555 60 HH12 ARG 7 2HH1 ARG 7 4.097 -14.494 -11.083 61 HH21 ARG 7 1HH2 ARG 7 6.763 -15.085 -8.874 62 HH22 ARG 7 2HH2 ARG 7 5.761 -15.754 -10.127 63 H VAL 8 H VAL 8 5.098 -8.526 -3.917 64 HA VAL 8 HA VAL 8 2.580 -7.239 -4.813 65 HB VAL 8 HB VAL 8 3.959 -6.472 -2.203 66 HG11 VAL 8 1HG1 VAL 8 1.105 -6.061 -3.163 67 HG12 VAL 8 2HG1 VAL 8 2.387 -4.846 -3.145 68 HG13 VAL 8 3HG1 VAL 8 1.773 -5.499 -1.625 69 HG21 VAL 8 3HG2 VAL 8 3.430 -8.847 -1.933 70 HG22 VAL 8 1HG2 VAL 8 1.754 -8.550 -2.402 71 HG23 VAL 8 2HG2 VAL 8 2.388 -7.856 -0.907 72 H GLU 9 H GLU 9 3.100 -5.638 -6.191 73 HA GLU 9 HA GLU 9 5.754 -4.334 -6.018 74 HB2 GLU 9 2HB GLU 9 3.877 -4.745 -8.384 75 HB3 GLU 9 3HB GLU 9 5.277 -3.680 -8.445 76 HG2 GLU 9 2HG GLU 9 5.860 -5.790 -9.471 77 HG3 GLU 9 3HG GLU 9 6.755 -5.617 -7.966 78 H ILE 10 H ILE 10 5.437 -2.661 -4.686 79 HA ILE 10 HA ILE 10 3.086 -0.927 -4.890 80 HB ILE 10 HB ILE 10 5.441 -0.846 -2.939 81 HG12 ILE 10 2HG1 ILE 10 4.034 -2.887 -2.666 82 HG13 ILE 10 3HG1 ILE 10 3.924 -1.828 -1.266 83 HG21 ILE 10 1HG2 ILE 10 4.451 1.385 -3.167 84 HG22 ILE 10 2HG2 ILE 10 4.054 0.712 -1.587 85 HG23 ILE 10 3HG2 ILE 10 2.838 0.732 -2.865 86 HD11 ILE 10 3HD1 ILE 10 1.737 -1.028 -2.082 87 HD12 ILE 10 1HD1 ILE 10 1.781 -2.769 -1.804 88 HD13 ILE 10 2HD1 ILE 10 1.866 -2.141 -3.448 89 H LYS 11 H LYS 11 3.196 0.708 -6.304 90 HA LYS 11 HA LYS 11 5.751 1.809 -7.244 91 HB2 LYS 11 2HB LYS 11 2.919 2.579 -8.083 92 HB3 LYS 11 3HB LYS 11 4.404 2.967 -8.926 93 HG2 LYS 11 2HG LYS 11 3.828 0.053 -8.611 94 HG3 LYS 11 3HG LYS 11 2.715 0.949 -9.640 95 HD2 LYS 11 2HD LYS 11 4.428 0.026 -11.048 96 HD3 LYS 11 3HD LYS 11 4.692 1.767 -10.965 97 HE2 LYS 11 2HE LYS 11 6.564 1.495 -9.497 98 HE3 LYS 11 3HE LYS 11 6.195 -0.213 -9.233 99 HZ1 LYS 11 3HZ LYS 11 7.096 1.011 -11.787 100 HZ2 LYS 11 1HZ LYS 11 6.659 -0.610 -11.584 101 HZ3 LYS 11 2HZ LYS 11 8.005 0.008 -10.774 102 H ILE 12 H ILE 12 6.572 3.531 -6.114 103 HA ILE 12 HA ILE 12 4.753 5.437 -4.797 104 HB ILE 12 HB ILE 12 7.814 5.398 -4.846 105 HG12 ILE 12 2HG1 ILE 12 6.965 3.437 -3.627 106 HG13 ILE 12 3HG1 ILE 12 7.666 4.581 -2.491 107 HG21 ILE 12 1HG2 ILE 12 6.964 7.667 -4.486 108 HG22 ILE 12 2HG2 ILE 12 7.670 7.045 -2.995 109 HG23 ILE 12 3HG2 ILE 12 5.917 7.099 -3.181 110 HD11 ILE 12 3HD1 ILE 12 5.651 3.600 -1.608 111 HD12 ILE 12 1HD1 ILE 12 4.723 4.153 -3.002 112 HD13 ILE 12 2HD1 ILE 12 5.407 5.326 -1.871 113 H ASP 13 H ASP 13 3.928 6.891 -6.122 114 HA ASP 13 HA ASP 13 5.281 7.652 -8.616 115 HB2 ASP 13 2HB ASP 13 2.896 6.798 -8.607 116 HB3 ASP 13 3HB ASP 13 2.438 8.206 -7.662 117 H CYS 14 H CYS 14 6.702 9.215 -8.154 118 HA CYS 14 HA CYS 14 6.112 11.232 -6.067 119 HB2 CYS 14 2HB CYS 14 7.904 9.769 -5.388 120 HB3 CYS 14 3HB CYS 14 8.710 9.927 -6.950 121 HG CYS 14 HG CYS 14 8.223 12.739 -5.147 122 H GLY 15 H GLY 15 8.094 10.805 -8.991 123 HA2 GLY 15 2HA GLY 15 7.354 12.966 -10.497 124 HA3 GLY 15 3HA GLY 15 8.541 13.611 -9.357 125 H ASN 16 H ASN 16 8.974 13.533 -12.136 126 HA ASN 16 HA ASN 16 10.271 12.851 -13.837 127 HB2 ASN 16 2HB ASN 16 11.974 11.409 -11.741 128 HB3 ASN 16 3HB ASN 16 12.444 11.704 -13.408 129 HD21 ASN 16 1HD2 ASN 16 11.987 13.148 -10.255 130 HD22 ASN 16 2HD2 ASN 16 12.801 14.635 -10.603 131 H ASP 17 H ASP 17 9.075 11.562 -15.098 132 HA ASP 17 HA ASP 17 7.849 9.144 -14.319 133 HB2 ASP 17 2HB ASP 17 6.963 10.666 -16.060 134 HB3 ASP 17 3HB ASP 17 8.309 10.261 -17.115 135 H ASP 18 H ASP 18 10.916 9.850 -15.771 136 HA ASP 18 HA ASP 18 11.765 7.247 -16.544 137 HB2 ASP 18 2HB ASP 18 13.548 9.475 -15.442 138 HB3 ASP 18 3HB ASP 18 14.018 8.169 -16.523 139 H LYS 19 H LYS 19 12.070 9.124 -13.555 140 HA LYS 19 HA LYS 19 13.400 6.977 -12.096 141 HB2 LYS 19 2HB LYS 19 14.225 9.310 -11.909 142 HB3 LYS 19 3HB LYS 19 12.670 9.813 -11.254 143 HG2 LYS 19 2HG LYS 19 13.049 8.308 -9.290 144 HG3 LYS 19 3HG LYS 19 14.648 7.919 -9.936 145 HD2 LYS 19 2HD LYS 19 15.356 10.255 -9.705 146 HD3 LYS 19 3HD LYS 19 13.730 10.731 -9.200 147 HE2 LYS 19 2HE LYS 19 15.607 8.885 -7.686 148 HE3 LYS 19 3HE LYS 19 15.207 10.549 -7.258 149 HZ1 LYS 19 3HZ LYS 19 13.955 8.896 -5.968 150 HZ2 LYS 19 1HZ LYS 19 13.246 8.320 -7.388 151 HZ3 LYS 19 2HZ LYS 19 12.932 9.895 -6.866 152 H GLU 20 H GLU 20 11.413 5.711 -12.469 153 HA GLU 20 HA GLU 20 9.157 6.025 -10.691 154 HB2 GLU 20 2HB GLU 20 8.555 3.720 -11.413 155 HB3 GLU 20 3HB GLU 20 8.861 4.784 -12.782 156 HG2 GLU 20 2HG GLU 20 11.056 3.788 -13.147 157 HG3 GLU 20 3HG GLU 20 10.901 2.820 -11.683 158 H THR 21 H THR 21 8.722 4.636 -8.842 159 HA THR 21 HA THR 21 11.112 3.399 -7.578 160 HB THR 21 HB THR 21 8.957 4.937 -6.041 161 HG1 THR 21 HG1 THR 21 10.177 6.393 -7.319 162 HG21 THR 21 3HG2 THR 21 10.169 3.207 -4.716 163 HG22 THR 21 1HG2 THR 21 10.569 4.840 -4.165 164 HG23 THR 21 2HG2 THR 21 11.706 3.945 -5.172 165 H THR 22 H THR 22 10.717 1.362 -6.780 166 HA THR 22 HA THR 22 7.930 0.412 -6.544 167 HB THR 22 HB THR 22 10.072 -1.379 -7.772 168 HG1 THR 22 HG1 THR 22 9.923 0.365 -9.184 169 HG21 THR 22 3HG2 THR 22 7.984 -2.445 -6.901 170 HG22 THR 22 1HG2 THR 22 8.123 -2.597 -8.660 171 HG23 THR 22 2HG2 THR 22 7.034 -1.400 -7.962 172 H TYR 23 H TYR 23 7.591 -1.013 -4.874 173 HA TYR 23 HA TYR 23 9.924 -2.020 -3.358 174 HB2 TYR 23 2HB TYR 23 7.107 -1.298 -2.420 175 HB3 TYR 23 3HB TYR 23 8.232 -2.238 -1.437 176 HD1 TYR 23 HD2 TYR 23 10.668 -1.161 -1.271 177 HD2 TYR 23 HD1 TYR 23 7.095 1.066 -2.001 178 HE1 TYR 23 HE2 TYR 23 11.781 0.869 -0.483 179 HE2 TYR 23 HE1 TYR 23 8.221 3.109 -1.211 180 HH TYR 23 HH TYR 23 11.630 3.218 -0.663 181 H ASP 24 H ASP 24 10.237 -4.116 -3.462 182 HA ASP 24 HA ASP 24 8.108 -5.943 -4.403 183 HB2 ASP 24 2HB ASP 24 11.120 -6.416 -4.215 184 HB3 ASP 24 3HB ASP 24 9.931 -7.524 -4.903 185 H LEU 25 H LEU 25 7.060 -6.792 -2.762 186 HA LEU 25 HA LEU 25 8.524 -7.951 -0.466 187 HB2 LEU 25 2HB LEU 25 6.700 -7.181 1.050 188 HB3 LEU 25 3HB LEU 25 7.690 -5.878 0.430 189 HG LEU 25 HG LEU 25 5.025 -6.497 -0.887 190 HD11 LEU 25 1HD1 LEU 25 4.510 -6.264 1.498 191 HD12 LEU 25 2HD1 LEU 25 3.888 -4.902 0.571 192 HD13 LEU 25 3HD1 LEU 25 5.353 -4.713 1.540 193 HD21 LEU 25 3HD2 LEU 25 6.530 -4.918 -2.040 194 HD22 LEU 25 1HD2 LEU 25 6.566 -3.893 -0.603 195 HD23 LEU 25 2HD2 LEU 25 5.057 -4.127 -1.489 196 H TYR 26 H TYR 26 7.257 -9.609 0.623 197 HA TYR 26 HA TYR 26 5.296 -10.957 -1.131 198 HB2 TYR 26 2HB TYR 26 7.646 -12.233 0.329 199 HB3 TYR 26 3HB TYR 26 6.374 -13.143 -0.474 200 HD1 TYR 26 HD2 TYR 26 9.373 -11.015 -1.002 201 HD2 TYR 26 HD1 TYR 26 6.316 -13.300 -2.916 202 HE1 TYR 26 HE2 TYR 26 10.642 -10.961 -3.114 203 HE2 TYR 26 HE1 TYR 26 7.584 -13.245 -5.008 204 HH TYR 26 HH TYR 26 10.829 -12.274 -5.184 205 H PHE 27 H PHE 27 3.513 -11.630 -0.097 206 HA PHE 27 HA PHE 27 3.298 -11.619 2.792 207 HB2 PHE 27 2HB PHE 27 1.318 -12.692 0.742 208 HB3 PHE 27 3HB PHE 27 0.995 -12.402 2.445 209 HD1 PHE 27 HD1 PHE 27 2.254 -9.681 2.769 210 HD2 PHE 27 HD2 PHE 27 -0.253 -11.257 -0.326 211 HE1 PHE 27 HE1 PHE 27 1.429 -7.421 2.267 212 HE2 PHE 27 HE2 PHE 27 -1.059 -8.989 -0.818 213 HZ PHE 27 HZ PHE 27 -0.218 -7.079 0.473 214 H SER 28 H SER 28 5.165 -13.048 2.984 215 HA SER 28 HA SER 28 5.093 -15.815 2.353 216 HB2 SER 28 2HB SER 28 7.185 -14.614 2.972 217 HB3 SER 28 3HB SER 28 6.570 -14.376 4.608 218 HG SER 28 HG SER 28 7.865 -16.152 4.662 219 H LYS 29 H LYS 29 4.181 -13.936 5.215 220 HA LYS 29 HA LYS 29 2.058 -15.871 5.807 221 HB2 LYS 29 2HB LYS 29 3.865 -14.710 7.986 222 HB3 LYS 29 3HB LYS 29 2.446 -15.717 8.248 223 HG2 LYS 29 2HG LYS 29 3.648 -17.577 7.007 224 HG3 LYS 29 3HG LYS 29 5.088 -16.552 7.021 225 HD2 LYS 29 2HD LYS 29 4.914 -16.488 9.555 226 HD3 LYS 29 3HD LYS 29 3.611 -17.677 9.434 227 HE2 LYS 29 2HE LYS 29 6.494 -18.058 8.558 228 HE3 LYS 29 3HE LYS 29 5.707 -18.804 9.946 229 HZ1 LYS 29 3HZ LYS 29 5.041 -19.292 7.095 230 HZ2 LYS 29 1HZ LYS 29 4.237 -19.982 8.414 231 HZ3 LYS 29 2HZ LYS 29 5.859 -20.347 8.129 232 H ALA 30 H ALA 30 0.428 -14.879 7.302 233 HA ALA 30 HA ALA 30 -0.291 -12.188 6.680 234 HB1 ALA 30 3HB ALA 30 -2.118 -12.517 8.256 235 HB2 ALA 30 1HB ALA 30 -1.339 -13.961 8.920 236 HB3 ALA 30 2HB ALA 30 -1.935 -13.959 7.262 237 H GLU 31 H GLU 31 1.254 -13.808 9.401 238 HA GLU 31 HA GLU 31 1.708 -11.784 11.229 239 HB2 GLU 31 2HB GLU 31 2.284 -14.098 11.701 240 HB3 GLU 31 3HB GLU 31 3.460 -14.141 10.389 241 HG2 GLU 31 2HG GLU 31 4.868 -12.510 11.600 242 HG3 GLU 31 3HG GLU 31 3.689 -12.463 12.911 243 H GLU 32 H GLU 32 3.750 -12.760 8.476 244 HA GLU 32 HA GLU 32 5.672 -10.739 8.563 245 HB2 GLU 32 2HB GLU 32 4.573 -12.188 6.118 246 HB3 GLU 32 3HB GLU 32 6.077 -11.279 6.169 247 HG2 GLU 32 2HG GLU 32 5.498 -13.754 7.812 248 HG3 GLU 32 3HG GLU 32 6.392 -13.737 6.297 249 H ALA 33 H ALA 33 2.568 -10.890 6.807 250 HA ALA 33 HA ALA 33 2.750 -8.576 5.277 251 HB1 ALA 33 3HB ALA 33 0.226 -9.865 6.382 252 HB2 ALA 33 1HB ALA 33 1.067 -10.335 4.904 253 HB3 ALA 33 2HB ALA 33 0.311 -8.745 5.018 254 H LYS 34 H LYS 34 1.903 -8.900 8.681 255 HA LYS 34 HA LYS 34 0.631 -6.370 9.023 256 HB2 LYS 34 2HB LYS 34 0.438 -8.271 10.656 257 HB3 LYS 34 3HB LYS 34 2.134 -8.078 11.078 258 HG2 LYS 34 2HG LYS 34 1.504 -5.676 11.794 259 HG3 LYS 34 3HG LYS 34 -0.172 -6.197 11.682 260 HD2 LYS 34 2HD LYS 34 1.927 -7.487 13.470 261 HD3 LYS 34 3HD LYS 34 0.787 -6.258 14.003 262 HE2 LYS 34 2HE LYS 34 -0.144 -8.295 14.740 263 HE3 LYS 34 3HE LYS 34 -1.067 -7.905 13.292 264 HZ1 LYS 34 3HZ LYS 34 1.210 -9.806 13.412 265 HZ2 LYS 34 1HZ LYS 34 0.261 -9.481 12.058 266 HZ3 LYS 34 2HZ LYS 34 -0.418 -10.242 13.401 267 H GLU 35 H GLU 35 3.976 -7.479 9.346 268 HA GLU 35 HA GLU 35 5.085 -4.963 10.146 269 HB2 GLU 35 2HB GLU 35 6.253 -7.584 9.201 270 HB3 GLU 35 3HB GLU 35 7.288 -6.162 9.286 271 HG2 GLU 35 2HG GLU 35 7.476 -7.549 11.310 272 HG3 GLU 35 3HG GLU 35 6.870 -5.934 11.672 273 H LEU 36 H LEU 36 4.765 -6.663 7.032 274 HA LEU 36 HA LEU 36 6.135 -4.792 5.424 275 HB2 LEU 36 2HB LEU 36 4.150 -6.997 4.853 276 HB3 LEU 36 3HB LEU 36 4.531 -5.864 3.567 277 HG LEU 36 HG LEU 36 5.944 -7.764 3.238 278 HD11 LEU 36 1HD1 LEU 36 8.199 -6.824 3.367 279 HD12 LEU 36 2HD1 LEU 36 7.664 -5.601 4.522 280 HD13 LEU 36 3HD1 LEU 36 7.046 -5.589 2.867 281 HD21 LEU 36 3HD2 LEU 36 6.839 -7.557 6.131 282 HD22 LEU 36 1HD2 LEU 36 7.496 -8.666 4.921 283 HD23 LEU 36 2HD2 LEU 36 5.816 -8.811 5.429 284 H LEU 37 H LEU 37 2.836 -4.901 6.548 285 HA LEU 37 HA LEU 37 1.653 -2.843 5.078 286 HB2 LEU 37 2HB LEU 37 0.330 -4.263 6.465 287 HB3 LEU 37 3HB LEU 37 1.236 -3.880 7.905 288 HG LEU 37 HG LEU 37 -0.388 -1.669 6.598 289 HD11 LEU 37 1HD1 LEU 37 -1.961 -3.556 6.680 290 HD12 LEU 37 2HD1 LEU 37 -2.398 -2.322 7.858 291 HD13 LEU 37 3HD1 LEU 37 -1.601 -3.806 8.391 292 HD21 LEU 37 3HD2 LEU 37 0.238 -2.314 9.511 293 HD22 LEU 37 1HD2 LEU 37 -0.638 -0.887 8.932 294 HD23 LEU 37 2HD2 LEU 37 1.062 -1.108 8.524 295 H LYS 38 H LYS 38 3.519 -2.757 8.101 296 HA LYS 38 HA LYS 38 3.337 0.067 8.443 297 HB2 LYS 38 2HB LYS 38 3.730 -1.705 10.270 298 HB3 LYS 38 3HB LYS 38 5.407 -1.751 9.734 299 HG2 LYS 38 2HG LYS 38 5.518 0.752 10.197 300 HG3 LYS 38 3HG LYS 38 3.914 0.614 10.921 301 HD2 LYS 38 2HD LYS 38 4.921 -1.145 12.501 302 HD3 LYS 38 3HD LYS 38 6.499 -0.672 11.867 303 HE2 LYS 38 2HE LYS 38 4.552 1.050 13.426 304 HE3 LYS 38 3HE LYS 38 6.154 0.514 13.927 305 HZ1 LYS 38 3HZ LYS 38 7.093 1.889 12.151 306 HZ2 LYS 38 1HZ LYS 38 6.198 2.810 13.243 307 HZ3 LYS 38 2HZ LYS 38 5.548 2.425 11.732 308 H LYS 39 H LYS 39 5.718 -2.114 6.942 309 HA LYS 39 HA LYS 39 7.880 -0.308 6.729 310 HB2 LYS 39 2HB LYS 39 7.192 -2.686 4.939 311 HB3 LYS 39 3HB LYS 39 8.728 -1.827 4.900 312 HG2 LYS 39 2HG LYS 39 7.624 -3.419 7.228 313 HG3 LYS 39 3HG LYS 39 8.931 -3.912 6.152 314 HD2 LYS 39 2HD LYS 39 10.325 -2.031 6.988 315 HD3 LYS 39 3HD LYS 39 9.009 -1.527 8.052 316 HE2 LYS 39 2HE LYS 39 9.172 -3.660 9.280 317 HE3 LYS 39 3HE LYS 39 10.466 -4.192 8.200 318 HZ1 LYS 39 3HZ LYS 39 10.602 -1.785 9.935 319 HZ2 LYS 39 1HZ LYS 39 11.856 -2.414 8.991 320 HZ3 LYS 39 2HZ LYS 39 11.278 -3.283 10.320 321 H VAL 40 H VAL 40 5.386 -1.207 4.314 322 HA VAL 40 HA VAL 40 6.071 0.651 2.313 323 HB VAL 40 HB VAL 40 3.336 -0.562 2.965 324 HG11 VAL 40 1HG1 VAL 40 4.193 0.856 0.410 325 HG12 VAL 40 2HG1 VAL 40 3.031 1.463 1.590 326 HG13 VAL 40 3HG1 VAL 40 2.661 0.013 0.655 327 HG21 VAL 40 3HG2 VAL 40 5.053 -2.255 2.430 328 HG22 VAL 40 1HG2 VAL 40 5.419 -1.424 0.916 329 HG23 VAL 40 2HG2 VAL 40 3.837 -2.171 1.153 330 H ALA 41 H ALA 41 3.905 0.898 5.136 331 HA ALA 41 HA ALA 41 2.858 3.459 4.651 332 HB1 ALA 41 3HB ALA 41 2.150 3.427 6.993 333 HB2 ALA 41 1HB ALA 41 3.246 2.076 7.324 334 HB3 ALA 41 2HB ALA 41 1.873 1.858 6.240 335 H GLU 42 H GLU 42 5.902 2.523 6.290 336 HA GLU 42 HA GLU 42 6.445 5.137 7.383 337 HB2 GLU 42 2HB GLU 42 8.360 2.799 6.922 338 HB3 GLU 42 3HB GLU 42 8.742 4.246 7.843 339 HG2 GLU 42 2HG GLU 42 6.742 2.100 8.570 340 HG3 GLU 42 3HG GLU 42 8.287 2.415 9.343 341 H LYS 43 H LYS 43 7.765 3.274 4.640 342 HA LYS 43 HA LYS 43 9.709 5.225 3.896 343 HB2 LYS 43 2HB LYS 43 8.658 2.791 2.400 344 HB3 LYS 43 3HB LYS 43 10.062 3.732 1.902 345 HG2 LYS 43 2HG LYS 43 11.261 3.111 3.951 346 HG3 LYS 43 3HG LYS 43 9.841 2.259 4.559 347 HD2 LYS 43 2HD LYS 43 11.374 1.487 2.036 348 HD3 LYS 43 3HD LYS 43 11.587 0.719 3.609 349 HE2 LYS 43 2HE LYS 43 9.198 0.008 3.553 350 HE3 LYS 43 3HE LYS 43 9.038 0.731 1.950 351 HZ1 LYS 43 3HZ LYS 43 9.410 -1.636 1.775 352 HZ2 LYS 43 1HZ LYS 43 10.825 -1.526 2.688 353 HZ3 LYS 43 2HZ LYS 43 10.755 -0.818 1.161 354 H ALA 44 H ALA 44 6.445 4.433 2.688 355 HA ALA 44 HA ALA 44 6.463 6.142 0.399 356 HB1 ALA 44 3HB ALA 44 4.013 5.871 0.399 357 HB2 ALA 44 1HB ALA 44 4.083 5.143 2.012 358 HB3 ALA 44 2HB ALA 44 4.822 4.323 0.637 359 H ALA 45 H ALA 45 5.267 6.547 3.746 360 HA ALA 45 HA ALA 45 4.239 9.154 3.520 361 HB1 ALA 45 3HB ALA 45 3.700 7.677 5.406 362 HB2 ALA 45 1HB ALA 45 4.314 9.230 5.975 363 HB3 ALA 45 2HB ALA 45 5.358 7.805 5.995 364 H ASP 46 H ASP 46 7.518 7.985 4.047 365 HA ASP 46 HA ASP 46 8.744 10.454 4.794 366 HB2 ASP 46 2HB ASP 46 9.739 8.186 5.224 367 HB3 ASP 46 3HB ASP 46 10.048 8.016 3.503 368 H LYS 47 H LYS 47 8.157 8.830 1.685 369 HA LYS 47 HA LYS 47 9.559 10.692 0.044 370 HB2 LYS 47 2HB LYS 47 7.902 8.323 -0.430 371 HB3 LYS 47 3HB LYS 47 7.417 9.597 -1.534 372 HG2 LYS 47 2HG LYS 47 9.065 8.356 -2.697 373 HG3 LYS 47 3HG LYS 47 9.882 9.827 -2.164 374 HD2 LYS 47 2HD LYS 47 11.380 7.986 -1.761 375 HD3 LYS 47 3HD LYS 47 10.773 8.508 -0.187 376 HE2 LYS 47 2HE LYS 47 9.008 6.644 -0.424 377 HE3 LYS 47 3HE LYS 47 9.976 6.054 -1.784 378 HZ1 LYS 47 3HZ LYS 47 10.560 4.946 0.259 379 HZ2 LYS 47 1HZ LYS 47 10.917 6.412 1.003 380 HZ3 LYS 47 2HZ LYS 47 11.864 5.867 -0.287 381 H ILE 48 H ILE 48 6.323 10.619 1.413 382 HA ILE 48 HA ILE 48 5.206 12.773 -0.067 383 HB ILE 48 HB ILE 48 4.513 12.060 2.825 384 HG12 ILE 48 2HG1 ILE 48 4.402 10.002 1.486 385 HG13 ILE 48 3HG1 ILE 48 2.791 10.512 1.950 386 HG21 ILE 48 1HG2 ILE 48 2.841 13.387 0.656 387 HG22 ILE 48 2HG2 ILE 48 3.543 14.184 2.064 388 HG23 ILE 48 3HG2 ILE 48 2.280 12.974 2.276 389 HD11 ILE 48 3HD1 ILE 48 2.827 9.659 -0.291 390 HD12 ILE 48 1HD1 ILE 48 4.053 10.833 -0.760 391 HD13 ILE 48 2HD1 ILE 48 2.433 11.377 -0.313 392 H LYS 49 H LYS 49 7.081 12.514 2.899 393 HA LYS 49 HA LYS 49 6.807 15.140 3.874 394 HB2 LYS 49 2HB LYS 49 7.534 13.025 5.124 395 HB3 LYS 49 3HB LYS 49 9.122 13.219 4.407 396 HG2 LYS 49 2HG LYS 49 7.867 15.387 6.115 397 HG3 LYS 49 3HG LYS 49 8.764 14.046 6.826 398 HD2 LYS 49 2HD LYS 49 10.770 14.721 5.492 399 HD3 LYS 49 3HD LYS 49 9.860 16.095 4.859 400 HE2 LYS 49 2HE LYS 49 11.287 16.854 6.662 401 HE3 LYS 49 3HE LYS 49 9.609 16.936 7.210 402 HZ1 LYS 49 3HZ LYS 49 11.524 14.751 7.839 403 HZ2 LYS 49 1HZ LYS 49 9.930 14.859 8.396 404 HZ3 LYS 49 2HZ LYS 49 11.078 15.997 8.888 405 H LYS 50 H LYS 50 9.372 13.619 1.882 406 HA LYS 50 HA LYS 50 10.916 16.079 1.662 407 HB2 LYS 50 2HB LYS 50 11.261 13.272 0.546 408 HB3 LYS 50 3HB LYS 50 12.239 14.589 -0.079 409 HG2 LYS 50 2HG LYS 50 13.512 13.372 1.551 410 HG3 LYS 50 3HG LYS 50 13.143 14.970 2.207 411 HD2 LYS 50 2HD LYS 50 11.456 14.053 3.677 412 HD3 LYS 50 3HD LYS 50 11.534 12.481 2.877 413 HE2 LYS 50 2HE LYS 50 13.831 13.722 4.425 414 HE3 LYS 50 3HE LYS 50 12.699 12.537 5.078 415 HZ1 LYS 50 3HZ LYS 50 14.522 12.104 2.780 416 HZ2 LYS 50 1HZ LYS 50 13.401 10.985 3.361 417 HZ3 LYS 50 2HZ LYS 50 14.702 11.458 4.332 418 H GLN 51 H GLN 51 8.875 14.107 -0.525 419 HA GLN 51 HA GLN 51 9.479 15.996 -2.747 420 HB2 GLN 51 2HB GLN 51 9.294 12.953 -2.824 421 HB3 GLN 51 3HB GLN 51 9.439 13.969 -4.252 422 HG2 GLN 51 2HG GLN 51 11.499 13.739 -2.043 423 HG3 GLN 51 3HG GLN 51 11.584 12.951 -3.618 424 HE21 GLN 51 1HE2 GLN 51 12.023 14.234 -5.459 425 HE22 GLN 51 2HE2 GLN 51 12.700 15.817 -5.331 426 H GLY 52 H GLY 52 6.930 15.240 -0.886 427 HA2 GLY 52 2HA GLY 52 4.715 15.835 -1.210 428 HA3 GLY 52 3HA GLY 52 5.029 16.072 -2.921 429 H CYS 53 H CYS 53 5.370 14.022 -4.200 430 HA CYS 53 HA CYS 53 4.697 12.059 -5.064 431 HB2 CYS 53 2HB CYS 53 4.882 11.099 -2.183 432 HB3 CYS 53 3HB CYS 53 4.963 10.086 -3.626 433 HG CYS 53 HG CYS 53 7.241 12.454 -2.698 434 H LYS 54 H LYS 54 2.631 13.205 -5.461 435 HA LYS 54 HA LYS 54 0.488 13.110 -3.595 436 HB2 LYS 54 2HB LYS 54 0.517 13.994 -6.505 437 HB3 LYS 54 3HB LYS 54 -0.817 14.259 -5.382 438 HG2 LYS 54 2HG LYS 54 0.714 15.618 -3.926 439 HG3 LYS 54 3HG LYS 54 1.993 15.400 -5.123 440 HD2 LYS 54 2HD LYS 54 0.979 17.587 -5.450 441 HD3 LYS 54 3HD LYS 54 0.556 16.559 -6.822 442 HE2 LYS 54 2HE LYS 54 -1.672 16.149 -5.815 443 HE3 LYS 54 3HE LYS 54 -1.236 17.181 -4.448 444 HZ1 LYS 54 3HZ LYS 54 -1.287 18.117 -7.265 445 HZ2 LYS 54 1HZ LYS 54 -1.100 19.058 -5.877 446 HZ3 LYS 54 2HZ LYS 54 -2.575 18.297 -6.190 447 H ARG 55 H ARG 55 1.487 10.832 -5.922 448 HA ARG 55 HA ARG 55 -1.029 9.319 -5.500 449 HB2 ARG 55 2HB ARG 55 0.784 9.025 -7.951 450 HB3 ARG 55 3HB ARG 55 -0.701 8.145 -7.637 451 HG2 ARG 55 2HG ARG 55 -1.334 9.707 -9.255 452 HG3 ARG 55 3HG ARG 55 -1.871 10.459 -7.751 453 HD2 ARG 55 2HD ARG 55 0.061 11.947 -7.747 454 HD3 ARG 55 3HD ARG 55 0.763 11.102 -9.130 455 HE ARG 55 HE ARG 55 -1.845 12.245 -9.641 456 HH11 ARG 55 1HH1 ARG 55 1.628 12.863 -9.687 457 HH12 ARG 55 2HH1 ARG 55 1.507 14.155 -10.838 458 HH21 ARG 55 1HH2 ARG 55 -1.986 13.949 -11.143 459 HH22 ARG 55 2HH2 ARG 55 -0.547 14.770 -11.665 460 H VAL 56 H VAL 56 -0.715 7.352 -4.551 461 HA VAL 56 HA VAL 56 1.929 6.040 -4.757 462 HB VAL 56 HB VAL 56 0.081 6.021 -2.308 463 HG11 VAL 56 1HG1 VAL 56 2.732 4.584 -2.684 464 HG12 VAL 56 2HG1 VAL 56 1.137 3.831 -2.615 465 HG13 VAL 56 3HG1 VAL 56 1.790 4.643 -1.192 466 HG21 VAL 56 3HG2 VAL 56 1.896 7.163 -1.085 467 HG22 VAL 56 1HG2 VAL 56 1.339 8.134 -2.451 468 HG23 VAL 56 2HG2 VAL 56 2.858 7.243 -2.562 469 H LYS 57 H LYS 57 1.599 4.295 -5.993 470 HA LYS 57 HA LYS 57 -1.113 3.221 -6.350 471 HB2 LYS 57 2HB LYS 57 1.433 2.871 -7.991 472 HB3 LYS 57 3HB LYS 57 -0.109 2.122 -8.391 473 HG2 LYS 57 2HG LYS 57 -1.127 4.273 -8.794 474 HG3 LYS 57 3HG LYS 57 0.296 5.121 -8.184 475 HD2 LYS 57 2HD LYS 57 1.627 4.379 -10.085 476 HD3 LYS 57 3HD LYS 57 0.315 3.343 -10.659 477 HE2 LYS 57 2HE LYS 57 0.542 5.509 -11.925 478 HE3 LYS 57 3HE LYS 57 -1.050 5.275 -11.202 479 HZ1 LYS 57 3HZ LYS 57 -0.190 7.527 -10.904 480 HZ2 LYS 57 1HZ LYS 57 1.122 6.931 -10.025 481 HZ3 LYS 57 2HZ LYS 57 -0.457 6.764 -9.421 482 H ILE 58 H ILE 58 -1.631 1.405 -5.376 483 HA ILE 58 HA ILE 58 0.428 -0.606 -4.648 484 HB ILE 58 HB ILE 58 -2.522 -0.375 -3.843 485 HG12 ILE 58 2HG1 ILE 58 -0.006 0.037 -2.152 486 HG13 ILE 58 3HG1 ILE 58 -1.031 1.327 -2.765 487 HG21 ILE 58 1HG2 ILE 58 -2.112 -2.274 -2.311 488 HG22 ILE 58 2HG2 ILE 58 -0.478 -2.440 -2.950 489 HG23 ILE 58 3HG2 ILE 58 -1.866 -2.739 -3.997 490 HD11 ILE 58 3HD1 ILE 58 -1.464 0.927 -0.437 491 HD12 ILE 58 1HD1 ILE 58 -1.833 -0.770 -0.748 492 HD13 ILE 58 2HD1 ILE 58 -2.883 0.498 -1.388 493 H ARG 59 H ARG 59 0.772 -1.984 -6.323 494 HA ARG 59 HA ARG 59 -1.568 -2.993 -7.841 495 HB2 ARG 59 2HB ARG 59 -0.051 -1.659 -9.287 496 HB3 ARG 59 3HB ARG 59 1.293 -2.720 -8.868 497 HG2 ARG 59 2HG ARG 59 0.190 -4.620 -9.951 498 HG3 ARG 59 3HG ARG 59 -1.253 -3.651 -10.252 499 HD2 ARG 59 2HD ARG 59 1.480 -3.077 -11.436 500 HD3 ARG 59 3HD ARG 59 0.194 -3.962 -12.266 501 HE ARG 59 HE ARG 59 -1.058 -1.695 -11.606 502 HH11 ARG 59 1HH1 ARG 59 2.054 -2.151 -13.163 503 HH12 ARG 59 2HH1 ARG 59 1.949 -0.673 -14.062 504 HH21 ARG 59 1HH2 ARG 59 -1.207 0.203 -12.799 505 HH22 ARG 59 2HH2 ARG 59 0.092 0.665 -13.851 506 H PHE 60 H PHE 60 -1.797 -5.119 -7.981 507 HA PHE 60 HA PHE 60 0.074 -7.068 -6.968 508 HB2 PHE 60 2HB PHE 60 -0.784 -5.968 -4.884 509 HB3 PHE 60 3HB PHE 60 -2.441 -6.275 -5.392 510 HD1 PHE 60 HD2 PHE 60 0.747 -8.154 -4.767 511 HD2 PHE 60 HD1 PHE 60 -3.515 -8.135 -4.447 512 HE1 PHE 60 HE2 PHE 60 0.824 -10.310 -3.588 513 HE2 PHE 60 HE1 PHE 60 -3.425 -10.280 -3.269 514 HZ PHE 60 HZ PHE 60 -1.262 -11.375 -2.837 515 H GLU 61 H GLU 61 -0.542 -9.074 -7.814 516 HA GLU 61 HA GLU 61 -3.046 -9.184 -9.400 517 HB2 GLU 61 2HB GLU 61 -0.412 -10.700 -9.626 518 HB3 GLU 61 3HB GLU 61 -1.874 -11.278 -10.417 519 HG2 GLU 61 2HG GLU 61 -0.665 -10.101 -12.074 520 HG3 GLU 61 3HG GLU 61 -2.003 -9.054 -11.614 521 H LYS 62 H LYS 62 -4.366 -11.014 -9.301 522 HA LYS 62 HA LYS 62 -3.991 -12.916 -7.054 523 HB2 LYS 62 2HB LYS 62 -6.658 -11.800 -7.995 524 HB3 LYS 62 3HB LYS 62 -6.393 -12.907 -6.657 525 HG2 LYS 62 2HG LYS 62 -5.217 -11.102 -5.423 526 HG3 LYS 62 3HG LYS 62 -5.547 -9.995 -6.761 527 HD2 LYS 62 2HD LYS 62 -7.724 -11.483 -5.255 528 HD3 LYS 62 3HD LYS 62 -7.169 -9.871 -4.795 529 HE2 LYS 62 2HE LYS 62 -9.144 -9.554 -6.121 530 HE3 LYS 62 3HE LYS 62 -7.789 -9.095 -7.144 531 HZ1 LYS 62 3HZ LYS 62 -7.988 -11.110 -8.355 532 HZ2 LYS 62 1HZ LYS 62 -9.525 -10.424 -8.255 533 HZ3 LYS 62 2HZ LYS 62 -9.128 -11.740 -7.277 534 H LYS 63 H LYS 63 -6.586 -14.225 -7.968 535 HA LYS 63 HA LYS 63 -7.248 -15.945 -9.197 536 HB2 LYS 63 2HB LYS 63 -5.981 -14.173 -11.254 537 HB3 LYS 63 3HB LYS 63 -6.177 -15.851 -11.753 538 HG2 LYS 63 2HG LYS 63 -8.389 -14.000 -10.821 539 HG3 LYS 63 3HG LYS 63 -8.049 -14.474 -12.486 540 HD2 LYS 63 2HD LYS 63 -8.471 -16.890 -11.785 541 HD3 LYS 63 3HD LYS 63 -9.029 -16.261 -10.230 542 HE2 LYS 63 2HE LYS 63 -10.945 -16.683 -11.657 543 HE3 LYS 63 3HE LYS 63 -10.779 -14.942 -11.437 544 HZ1 LYS 63 3HZ LYS 63 -9.715 -14.810 -13.606 545 HZ2 LYS 63 1HZ LYS 63 -11.251 -15.504 -13.735 546 HZ3 LYS 63 2HZ LYS 63 -9.873 -16.479 -13.816 547 H GLY 64 H GLY 64 -4.841 -16.036 -7.580 548 HA2 GLY 64 2HA GLY 64 -4.039 -18.675 -7.981 549 HA3 GLY 64 3HA GLY 64 -2.831 -17.648 -8.743 550 H LEU 65 H LEU 65 -4.407 -16.314 -5.907 551 HA LEU 65 HA LEU 65 -1.917 -16.347 -4.438 552 HB2 LEU 65 2HB LEU 65 -4.667 -15.516 -3.427 553 HB3 LEU 65 3HB LEU 65 -3.121 -15.130 -2.685 554 HG LEU 65 HG LEU 65 -4.163 -14.064 -5.335 555 HD11 LEU 65 1HD1 LEU 65 -4.218 -11.906 -4.179 556 HD12 LEU 65 2HD1 LEU 65 -3.704 -12.679 -2.678 557 HD13 LEU 65 3HD1 LEU 65 -5.265 -13.088 -3.397 558 HD21 LEU 65 3HD2 LEU 65 -1.499 -13.485 -3.987 559 HD22 LEU 65 1HD2 LEU 65 -2.146 -12.645 -5.398 560 HD23 LEU 65 2HD2 LEU 65 -1.739 -14.354 -5.505 561 H ASP 66 H ASP 66 -5.121 -17.336 -3.368 562 HA ASP 66 HA ASP 66 -5.168 -19.835 -2.502 563 HB2 ASP 66 2HB ASP 66 -3.025 -19.672 -1.274 564 HB3 ASP 66 3HB ASP 66 -3.567 -18.236 -0.429 565 H ASP 67 H ASP 67 -7.023 -20.094 -1.088 566 HA ASP 67 HA ASP 67 -8.998 -18.140 -1.414 567 HB2 ASP 67 2HB ASP 67 -9.492 -20.533 -1.085 568 HB3 ASP 67 3HB ASP 67 -8.909 -20.456 0.571 569 H ASP 68 H ASP 68 -7.073 -18.907 1.440 570 HA ASP 68 HA ASP 68 -8.271 -16.924 3.168 571 HB2 ASP 68 2HB ASP 68 -7.575 -18.923 4.245 572 HB3 ASP 68 3HB ASP 68 -6.020 -18.944 3.428 573 H ALA 69 H ALA 69 -5.278 -17.245 1.280 574 HA ALA 69 HA ALA 69 -3.920 -14.964 2.267 575 HB1 ALA 69 3HB ALA 69 -2.813 -16.806 1.053 576 HB2 ALA 69 1HB ALA 69 -2.428 -15.227 0.376 577 HB3 ALA 69 2HB ALA 69 -3.594 -16.275 -0.438 578 H ARG 70 H ARG 70 -6.340 -15.359 -0.213 579 HA ARG 70 HA ARG 70 -6.122 -12.925 -1.603 580 HB2 ARG 70 2HB ARG 70 -7.436 -14.750 -2.521 581 HB3 ARG 70 3HB ARG 70 -8.481 -14.790 -1.105 582 HG2 ARG 70 2HG ARG 70 -9.236 -12.423 -1.765 583 HG3 ARG 70 3HG ARG 70 -8.397 -12.685 -3.294 584 HD2 ARG 70 2HD ARG 70 -9.857 -14.513 -3.866 585 HD3 ARG 70 3HD ARG 70 -10.552 -14.542 -2.243 586 HE ARG 70 HE ARG 70 -10.929 -12.057 -3.681 587 HH11 ARG 70 1HH1 ARG 70 -12.308 -15.228 -2.996 588 HH12 ARG 70 2HH1 ARG 70 -13.927 -14.743 -3.400 589 HH21 ARG 70 1HH2 ARG 70 -13.057 -11.452 -4.211 590 HH22 ARG 70 2HH2 ARG 70 -14.346 -12.604 -4.085 591 H LYS 71 H LYS 71 -8.014 -13.866 1.269 592 HA LYS 71 HA LYS 71 -9.557 -11.491 1.451 593 HB2 LYS 71 2HB LYS 71 -10.370 -13.531 2.494 594 HB3 LYS 71 3HB LYS 71 -8.945 -13.634 3.527 595 HG2 LYS 71 2HG LYS 71 -9.618 -11.639 4.758 596 HG3 LYS 71 3HG LYS 71 -10.965 -11.361 3.654 597 HD2 LYS 71 2HD LYS 71 -12.071 -13.411 4.455 598 HD3 LYS 71 3HD LYS 71 -10.697 -13.760 5.512 599 HE2 LYS 71 2HE LYS 71 -11.142 -11.734 6.809 600 HE3 LYS 71 3HE LYS 71 -12.454 -11.291 5.715 601 HZ1 LYS 71 3HZ LYS 71 -13.612 -13.325 6.393 602 HZ2 LYS 71 1HZ LYS 71 -13.328 -12.290 7.697 603 HZ3 LYS 71 2HZ LYS 71 -12.376 -13.667 7.494 604 H LYS 72 H LYS 72 -6.568 -12.547 3.049 605 HA LYS 72 HA LYS 72 -6.405 -10.272 4.797 606 HB2 LYS 72 2HB LYS 72 -4.198 -11.154 5.436 607 HB3 LYS 72 3HB LYS 72 -5.435 -12.404 5.445 608 HG2 LYS 72 2HG LYS 72 -4.606 -13.163 3.191 609 HG3 LYS 72 3HG LYS 72 -3.279 -12.008 3.349 610 HD2 LYS 72 2HD LYS 72 -2.617 -14.321 3.986 611 HD3 LYS 72 3HD LYS 72 -2.441 -13.184 5.325 612 HE2 LYS 72 2HE LYS 72 -4.506 -13.986 6.337 613 HE3 LYS 72 3HE LYS 72 -4.834 -15.021 4.944 614 HZ1 LYS 72 3HZ LYS 72 -3.024 -16.398 5.487 615 HZ2 LYS 72 1HZ LYS 72 -3.881 -16.156 6.920 616 HZ3 LYS 72 2HZ LYS 72 -2.431 -15.326 6.653 617 H ALA 73 H ALA 73 -5.093 -11.041 1.601 618 HA ALA 73 HA ALA 73 -3.313 -8.805 1.348 619 HB1 ALA 73 3HB ALA 73 -3.156 -10.805 -0.093 620 HB2 ALA 73 1HB ALA 73 -3.355 -9.341 -1.057 621 HB3 ALA 73 2HB ALA 73 -4.725 -10.428 -0.806 622 H LYS 74 H LYS 74 -6.693 -9.402 0.536 623 HA LYS 74 HA LYS 74 -7.403 -6.982 -0.706 624 HB2 LYS 74 2HB LYS 74 -8.864 -8.881 -0.898 625 HB3 LYS 74 3HB LYS 74 -8.984 -9.083 0.837 626 HG2 LYS 74 2HG LYS 74 -10.093 -6.548 -0.342 627 HG3 LYS 74 3HG LYS 74 -10.979 -8.045 -0.639 628 HD2 LYS 74 2HD LYS 74 -11.046 -8.428 1.864 629 HD3 LYS 74 3HD LYS 74 -10.295 -6.844 2.082 630 HE2 LYS 74 2HE LYS 74 -12.235 -5.788 0.973 631 HE3 LYS 74 3HE LYS 74 -12.973 -7.377 0.764 632 HZ1 LYS 74 3HZ LYS 74 -12.338 -6.101 3.363 633 HZ2 LYS 74 1HZ LYS 74 -13.052 -7.617 3.158 634 HZ3 LYS 74 2HZ LYS 74 -13.873 -6.219 2.672 635 H LYS 75 H LYS 75 -7.700 -8.029 2.649 636 HA LYS 75 HA LYS 75 -8.666 -5.714 3.877 637 HB2 LYS 75 2HB LYS 75 -8.782 -7.853 4.985 638 HB3 LYS 75 3HB LYS 75 -7.047 -8.104 4.853 639 HG2 LYS 75 2HG LYS 75 -6.682 -6.278 6.504 640 HG3 LYS 75 3HG LYS 75 -8.433 -6.102 6.665 641 HD2 LYS 75 2HD LYS 75 -8.639 -8.362 7.565 642 HD3 LYS 75 3HD LYS 75 -6.943 -8.703 7.224 643 HE2 LYS 75 2HE LYS 75 -7.916 -6.621 9.214 644 HE3 LYS 75 3HE LYS 75 -7.379 -8.249 9.633 645 HZ1 LYS 75 3HZ LYS 75 -5.210 -7.719 8.709 646 HZ2 LYS 75 1HZ LYS 75 -5.617 -6.630 9.938 647 HZ3 LYS 75 2HZ LYS 75 -5.730 -6.166 8.319 648 H TRP 76 H TRP 76 -5.394 -6.830 3.204 649 HA TRP 76 HA TRP 76 -3.884 -5.208 4.891 650 HB2 TRP 76 2HB TRP 76 -3.066 -7.262 3.753 651 HB3 TRP 76 3HB TRP 76 -3.113 -6.436 2.201 652 HD1 TRP 76 HD1 TRP 76 -1.125 -6.502 5.499 653 HE1 TRP 76 HE1 TRP 76 1.175 -5.478 5.062 654 HE3 TRP 76 HE3 TRP 76 -1.795 -4.832 0.700 655 HZ2 TRP 76 HZ2 TRP 76 2.534 -4.172 3.071 656 HZ3 TRP 76 HZ3 TRP 76 0.079 -3.694 -0.415 657 HH2 TRP 76 HH2 TRP 76 2.220 -3.362 0.745 658 H ALA 77 H ALA 77 -4.485 -4.788 1.366 659 HA ALA 77 HA ALA 77 -2.898 -2.455 1.117 660 HB1 ALA 77 3HB ALA 77 -5.053 -3.457 -0.757 661 HB2 ALA 77 1HB ALA 77 -3.361 -3.955 -0.768 662 HB3 ALA 77 2HB ALA 77 -3.789 -2.285 -1.150 663 H LEU 78 H LEU 78 -6.297 -2.928 1.807 664 HA LEU 78 HA LEU 78 -7.233 -0.280 1.454 665 HB2 LEU 78 2HB LEU 78 -8.213 -2.431 3.378 666 HB3 LEU 78 3HB LEU 78 -9.108 -0.977 2.949 667 HG LEU 78 HG LEU 78 -8.369 -3.218 1.033 668 HD11 LEU 78 1HD1 LEU 78 -10.089 -3.947 2.593 669 HD12 LEU 78 2HD1 LEU 78 -10.770 -3.740 0.981 670 HD13 LEU 78 3HD1 LEU 78 -11.068 -2.522 2.227 671 HD21 LEU 78 3HD2 LEU 78 -8.405 -1.090 -0.122 672 HD22 LEU 78 1HD2 LEU 78 -9.997 -0.715 0.544 673 HD23 LEU 78 2HD2 LEU 78 -9.801 -2.053 -0.588 674 H GLU 79 H GLU 79 -5.937 -2.032 4.261 675 HA GLU 79 HA GLU 79 -6.206 0.017 6.197 676 HB2 GLU 79 2HB GLU 79 -4.267 -2.331 6.136 677 HB3 GLU 79 3HB GLU 79 -4.568 -1.307 7.542 678 HG2 GLU 79 2HG GLU 79 -6.882 -2.055 7.667 679 HG3 GLU 79 3HG GLU 79 -6.707 -2.965 6.168 680 H VAL 80 H VAL 80 -3.422 -1.018 4.220 681 HA VAL 80 HA VAL 80 -1.483 0.809 5.083 682 HB VAL 80 HB VAL 80 -1.835 -0.453 2.311 683 HG11 VAL 80 1HG1 VAL 80 0.588 -0.078 1.977 684 HG12 VAL 80 2HG1 VAL 80 0.674 0.796 3.507 685 HG13 VAL 80 3HG1 VAL 80 -0.279 1.448 2.172 686 HG21 VAL 80 3HG2 VAL 80 -0.256 -2.173 3.074 687 HG22 VAL 80 1HG2 VAL 80 -1.676 -2.125 4.119 688 HG23 VAL 80 2HG2 VAL 80 -0.158 -1.408 4.662 689 H ALA 81 H ALA 81 -3.830 1.064 2.413 690 HA ALA 81 HA ALA 81 -3.056 3.470 1.243 691 HB1 ALA 81 3HB ALA 81 -4.657 1.875 0.249 692 HB2 ALA 81 1HB ALA 81 -5.314 3.510 0.280 693 HB3 ALA 81 2HB ALA 81 -5.858 2.319 1.464 694 H ASN 82 H ASN 82 -5.524 2.895 3.726 695 HA ASN 82 HA ASN 82 -6.108 5.671 4.172 696 HB2 ASN 82 2HB ASN 82 -6.993 3.113 5.551 697 HB3 ASN 82 3HB ASN 82 -7.481 4.695 6.141 698 HD21 ASN 82 1HD2 ASN 82 -8.070 2.271 3.773 699 HD22 ASN 82 2HD2 ASN 82 -9.353 3.068 2.946 700 H LYS 83 H LYS 83 -3.827 3.404 5.518 701 HA LYS 83 HA LYS 83 -3.441 4.544 8.093 702 HB2 LYS 83 2HB LYS 83 -2.592 2.215 6.996 703 HB3 LYS 83 3HB LYS 83 -1.133 3.133 6.692 704 HG2 LYS 83 2HG LYS 83 -2.393 2.738 9.427 705 HG3 LYS 83 3HG LYS 83 -1.092 1.744 8.778 706 HD2 LYS 83 2HD LYS 83 0.376 3.755 8.684 707 HD3 LYS 83 3HD LYS 83 -0.934 4.729 9.360 708 HE2 LYS 83 2HE LYS 83 -0.889 3.362 11.416 709 HE3 LYS 83 3HE LYS 83 0.416 2.382 10.743 710 HZ1 LYS 83 3HZ LYS 83 1.320 4.015 12.212 711 HZ2 LYS 83 1HZ LYS 83 0.525 5.268 11.406 712 HZ3 LYS 83 2HZ LYS 83 1.767 4.425 10.634 713 H ILE 84 H ILE 84 -1.647 4.841 5.025 714 HA ILE 84 HA ILE 84 0.221 6.810 5.816 715 HB ILE 84 HB ILE 84 -0.839 6.231 2.999 716 HG12 ILE 84 2HG1 ILE 84 1.682 5.092 4.308 717 HG13 ILE 84 3HG1 ILE 84 0.160 4.228 4.226 718 HG21 ILE 84 1HG2 ILE 84 1.749 7.601 3.842 719 HG22 ILE 84 2HG2 ILE 84 0.351 8.387 3.105 720 HG23 ILE 84 3HG2 ILE 84 1.286 7.209 2.183 721 HD11 ILE 84 3HD1 ILE 84 1.808 5.103 1.857 722 HD12 ILE 84 1HD1 ILE 84 0.271 4.235 1.785 723 HD13 ILE 84 2HD1 ILE 84 1.683 3.471 2.512 724 H ALA 85 H ALA 85 -2.980 7.027 4.222 725 HA ALA 85 HA ALA 85 -3.121 9.803 3.816 726 HB1 ALA 85 3HB ALA 85 -4.688 8.223 2.773 727 HB2 ALA 85 1HB ALA 85 -5.566 9.483 3.644 728 HB3 ALA 85 2HB ALA 85 -5.403 7.869 4.347 729 H ASN 86 H ASN 86 -3.776 7.869 6.679 730 HA ASN 86 HA ASN 86 -5.076 9.964 8.183 731 HB2 ASN 86 2HB ASN 86 -5.626 7.549 8.518 732 HB3 ASN 86 3HB ASN 86 -4.014 7.274 9.153 733 HD21 ASN 86 1HD2 ASN 86 -7.026 9.034 9.746 734 HD22 ASN 86 2HD2 ASN 86 -6.821 9.154 11.458 735 H GLU 87 H GLU 87 -1.832 8.519 8.038 736 HA GLU 87 HA GLU 87 -0.617 9.774 10.228 737 HB2 GLU 87 2HB GLU 87 0.568 8.913 7.550 738 HB3 GLU 87 3HB GLU 87 1.555 9.519 8.875 739 HG2 GLU 87 2HG GLU 87 -0.104 6.991 8.838 740 HG3 GLU 87 3HG GLU 87 1.653 7.117 8.867 741 H LEU 88 H LEU 88 -1.121 10.871 6.936 742 HA LEU 88 HA LEU 88 0.412 13.329 7.278 743 HB2 LEU 88 2HB LEU 88 -1.186 12.346 4.881 744 HB3 LEU 88 3HB LEU 88 0.064 13.585 4.877 745 HG LEU 88 HG LEU 88 0.588 10.666 5.554 746 HD11 LEU 88 1HD1 LEU 88 0.974 12.057 2.902 747 HD12 LEU 88 2HD1 LEU 88 -0.194 10.786 3.281 748 HD13 LEU 88 3HD1 LEU 88 1.530 10.431 3.310 749 HD21 LEU 88 3HD2 LEU 88 2.546 12.899 4.935 750 HD22 LEU 88 1HD2 LEU 88 2.955 11.203 5.205 751 HD23 LEU 88 2HD2 LEU 88 2.259 12.157 6.512 752 H GLY 89 H GLY 89 -2.947 12.275 7.177 753 HA2 GLY 89 2HA GLY 89 -4.945 13.401 7.439 754 HA3 GLY 89 3HA GLY 89 -4.036 14.860 7.835 755 H ALA 90 H ALA 90 -4.377 12.727 4.993 756 HA ALA 90 HA ALA 90 -4.476 15.101 3.208 757 HB1 ALA 90 3HB ALA 90 -2.299 13.950 3.106 758 HB2 ALA 90 1HB ALA 90 -3.169 13.790 1.580 759 HB3 ALA 90 2HB ALA 90 -3.102 12.431 2.706 760 H LYS 91 H LYS 91 -5.172 14.308 0.912 761 HA LYS 91 HA LYS 91 -7.857 13.549 0.835 762 HB2 LYS 91 2HB LYS 91 -6.671 14.832 -0.931 763 HB3 LYS 91 3HB LYS 91 -5.717 13.414 -1.339 764 HG2 LYS 91 2HG LYS 91 -7.393 13.698 -3.028 765 HG3 LYS 91 3HG LYS 91 -7.842 12.279 -2.077 766 HD2 LYS 91 2HD LYS 91 -9.541 13.566 -0.880 767 HD3 LYS 91 3HD LYS 91 -9.024 15.060 -1.667 768 HE2 LYS 91 2HE LYS 91 -10.207 12.661 -3.111 769 HE3 LYS 91 3HE LYS 91 -11.101 14.107 -2.652 770 HZ1 LYS 91 3HZ LYS 91 -8.760 14.078 -4.479 771 HZ2 LYS 91 1HZ LYS 91 -9.723 15.418 -4.103 772 HZ3 LYS 91 2HZ LYS 91 -10.374 14.122 -4.978 773 H GLN 92 H GLN 92 -8.855 11.577 -0.007 774 HA GLN 92 HA GLN 92 -7.638 9.267 1.279 775 HB2 GLN 92 2HB GLN 92 -10.421 9.609 0.100 776 HB3 GLN 92 3HB GLN 92 -9.876 8.209 1.018 777 HG2 GLN 92 2HG GLN 92 -10.131 11.043 2.070 778 HG3 GLN 92 3HG GLN 92 -11.222 9.699 2.410 779 HE21 GLN 92 1HE2 GLN 92 -8.077 11.078 3.060 780 HE22 GLN 92 2HE2 GLN 92 -7.695 10.086 4.422 781 H SER 93 H SER 93 -8.249 7.108 0.271 782 HA SER 93 HA SER 93 -6.896 6.929 -2.320 783 HB2 SER 93 2HB SER 93 -7.602 4.707 -0.346 784 HB3 SER 93 3HB SER 93 -6.435 4.638 -1.672 785 HG SER 93 HG SER 93 -5.655 6.647 -0.250 786 H THR 94 H THR 94 -7.819 5.917 -4.076 787 HA THR 94 HA THR 94 -10.556 4.830 -3.904 788 HB THR 94 HB THR 94 -10.194 6.411 -5.756 789 HG1 THR 94 HG1 THR 94 -10.287 3.870 -7.001 790 HG21 THR 94 3HG2 THR 94 -7.770 6.130 -6.121 791 HG22 THR 94 1HG2 THR 94 -8.666 5.919 -7.630 792 HG23 THR 94 2HG2 THR 94 -8.046 4.511 -6.767 793 H THR 95 H THR 95 -10.922 2.636 -4.439 794 HA THR 95 HA THR 95 -8.576 0.864 -4.655 795 HB THR 95 HB THR 95 -9.111 0.861 -2.296 796 HG1 THR 95 HG1 THR 95 -10.257 -1.541 -2.669 797 HG21 THR 95 3HG2 THR 95 -11.964 0.066 -3.019 798 HG22 THR 95 1HG2 THR 95 -11.475 1.642 -2.386 799 HG23 THR 95 2HG2 THR 95 -11.300 0.197 -1.391 800 H THR 96 H THR 96 -8.854 -0.929 -5.860 801 HA THR 96 HA THR 96 -11.476 -1.550 -7.039 802 HB THR 96 HB THR 96 -8.883 -1.237 -8.628 803 HG1 THR 96 HG1 THR 96 -9.802 0.773 -8.106 804 HG21 THR 96 3HG2 THR 96 -10.346 -3.024 -9.560 805 HG22 THR 96 1HG2 THR 96 -10.280 -1.620 -10.632 806 HG23 THR 96 2HG2 THR 96 -11.695 -1.888 -9.615 807 H THR 97 H THR 97 -11.781 -3.597 -6.234 808 HA THR 97 HA THR 97 -9.626 -5.579 -6.576 809 HB THR 97 HB THR 97 -10.667 -5.798 -4.429 810 HG1 THR 97 HG1 THR 97 -11.769 -7.849 -6.068 811 HG21 THR 97 3HG2 THR 97 -13.052 -6.214 -4.037 812 HG22 THR 97 1HG2 THR 97 -13.389 -6.042 -5.763 813 HG23 THR 97 2HG2 THR 97 -12.822 -4.655 -4.831 814 H ASP 98 H ASP 98 -9.481 -6.093 -8.646 815 HA ASP 98 HA ASP 98 -11.813 -6.496 -10.379 816 HB2 ASP 98 2HB ASP 98 -9.959 -5.277 -11.361 817 HB3 ASP 98 3HB ASP 98 -8.804 -6.516 -10.890 818 H GLY 99 H GLY 99 -12.002 -8.538 -11.646 819 HA2 GLY 99 2HA GLY 99 -12.148 -10.850 -10.103 820 HA3 GLY 99 3HA GLY 99 -12.116 -10.826 -11.862 821 H ASP 100 H ASP 100 -9.599 -9.901 -12.388 822 HA ASP 100 HA ASP 100 -7.865 -12.102 -11.531 823 HB2 ASP 100 2HB ASP 100 -7.997 -11.653 -13.943 824 HB3 ASP 100 3HB ASP 100 -7.495 -9.987 -13.696 825 H THR 101 H THR 101 -7.435 -8.570 -12.020 826 HA THR 101 HA THR 101 -5.036 -8.577 -10.363 827 HB THR 101 HB THR 101 -6.249 -6.131 -11.749 828 HG1 THR 101 HG1 THR 101 -5.339 -8.446 -12.891 829 HG21 THR 101 3HG2 THR 101 -3.348 -6.931 -11.255 830 HG22 THR 101 1HG2 THR 101 -4.248 -5.740 -10.307 831 HG23 THR 101 2HG2 THR 101 -3.903 -5.436 -12.009 832 H PHE 102 H PHE 102 -4.731 -6.714 -8.819 833 HA PHE 102 HA PHE 102 -7.104 -5.697 -7.423 834 HB2 PHE 102 2HB PHE 102 -6.423 -7.792 -6.236 835 HB3 PHE 102 3HB PHE 102 -4.791 -7.158 -6.045 836 HD1 PHE 102 HD2 PHE 102 -8.311 -5.988 -5.372 837 HD2 PHE 102 HD1 PHE 102 -4.318 -6.372 -3.878 838 HE1 PHE 102 HE2 PHE 102 -8.998 -4.946 -3.251 839 HE2 PHE 102 HE1 PHE 102 -5.019 -5.336 -1.766 840 HZ PHE 102 HZ PHE 102 -7.352 -4.615 -1.447 841 H GLU 103 H GLU 103 -6.767 -3.533 -7.644 842 HA GLU 103 HA GLU 103 -4.093 -2.380 -7.107 843 HB2 GLU 103 2HB GLU 103 -5.928 -1.704 -9.445 844 HB3 GLU 103 3HB GLU 103 -4.606 -0.658 -8.934 845 HG2 GLU 103 2HG GLU 103 -2.994 -2.513 -9.357 846 HG3 GLU 103 3HG GLU 103 -4.330 -3.510 -9.935 847 H VAL 104 H VAL 104 -4.066 -0.614 -5.865 848 HA VAL 104 HA VAL 104 -6.556 0.755 -5.090 849 HB VAL 104 HB VAL 104 -4.384 -0.207 -3.127 850 HG11 VAL 104 1HG1 VAL 104 -5.322 1.965 -2.461 851 HG12 VAL 104 2HG1 VAL 104 -5.854 0.706 -1.346 852 HG13 VAL 104 3HG1 VAL 104 -6.962 1.321 -2.575 853 HG21 VAL 104 3HG2 VAL 104 -5.804 -2.097 -3.829 854 HG22 VAL 104 1HG2 VAL 104 -7.252 -1.193 -3.386 855 HG23 VAL 104 2HG2 VAL 104 -6.104 -1.687 -2.139 856 H GLU 105 H GLU 105 -6.122 2.731 -5.921 857 HA GLU 105 HA GLU 105 -3.384 3.805 -5.923 858 HB2 GLU 105 2HB GLU 105 -4.449 4.024 -8.056 859 HB3 GLU 105 3HB GLU 105 -5.951 4.602 -7.343 860 HG2 GLU 105 2HG GLU 105 -4.971 6.510 -8.311 861 HG3 GLU 105 3HG GLU 105 -4.646 6.659 -6.596 862 H VAL 106 H VAL 106 -2.822 5.190 -4.416 863 HA VAL 106 HA VAL 106 -4.787 6.255 -2.497 864 HB VAL 106 HB VAL 106 -1.739 6.112 -2.241 865 HG11 VAL 106 1HG1 VAL 106 -2.106 6.428 0.174 866 HG12 VAL 106 2HG1 VAL 106 -3.845 6.548 -0.094 867 HG13 VAL 106 3HG1 VAL 106 -2.767 7.777 -0.755 868 HG21 VAL 106 3HG2 VAL 106 -2.024 4.102 -0.837 869 HG22 VAL 106 1HG2 VAL 106 -2.613 3.829 -2.479 870 HG23 VAL 106 2HG2 VAL 106 -3.758 4.109 -1.166 871 H ILE 107 H ILE 107 -5.480 8.176 -3.294 872 HA ILE 107 HA ILE 107 -3.678 9.989 -4.722 873 HB ILE 107 HB ILE 107 -6.667 10.253 -4.086 874 HG12 ILE 107 2HG1 ILE 107 -5.322 9.409 -6.704 875 HG13 ILE 107 3HG1 ILE 107 -6.179 8.333 -5.610 876 HG21 ILE 107 1HG2 ILE 107 -5.611 12.459 -4.425 877 HG22 ILE 107 2HG2 ILE 107 -6.709 12.075 -5.748 878 HG23 ILE 107 3HG2 ILE 107 -4.969 11.921 -5.979 879 HD11 ILE 107 3HD1 ILE 107 -8.266 9.536 -6.063 880 HD12 ILE 107 1HD1 ILE 107 -7.538 8.876 -7.526 881 HD13 ILE 107 2HD1 ILE 107 -7.409 10.600 -7.183 882 H LEU 108 H LEU 108 -2.286 10.743 -3.122 883 HA LEU 108 HA LEU 108 -3.430 12.049 -0.725 884 HB2 LEU 108 2HB LEU 108 -0.563 11.383 -1.505 885 HB3 LEU 108 3HB LEU 108 -1.028 12.170 -0.002 886 HG LEU 108 HG LEU 108 -1.898 9.372 -0.819 887 HD11 LEU 108 1HD1 LEU 108 0.489 9.428 -0.435 888 HD12 LEU 108 2HD1 LEU 108 -0.318 8.582 0.883 889 HD13 LEU 108 3HD1 LEU 108 0.254 10.238 1.116 890 HD21 LEU 108 3HD2 LEU 108 -3.519 10.433 0.673 891 HD22 LEU 108 1HD2 LEU 108 -2.237 10.846 1.818 892 HD23 LEU 108 2HD2 LEU 108 -2.651 9.155 1.517 893 H GLU 109 H GLU 109 -4.194 13.984 -1.468 894 HA GLU 109 HA GLU 109 -2.382 15.831 -2.900 895 HB2 GLU 109 2HB GLU 109 -5.363 15.998 -2.280 896 HB3 GLU 109 3HB GLU 109 -4.447 17.252 -3.117 897 HG2 GLU 109 2HG GLU 109 -3.956 15.699 -4.964 898 HG3 GLU 109 3HG GLU 109 -4.786 14.400 -4.106 899 H LEU 110 H LEU 110 -1.069 16.840 -1.506 900 HA LEU 110 HA LEU 110 -2.242 18.160 0.884 901 HB2 LEU 110 2HB LEU 110 0.696 17.458 0.404 902 HB3 LEU 110 3HB LEU 110 0.029 18.225 1.829 903 HG LEU 110 HG LEU 110 -1.367 15.988 2.084 904 HD11 LEU 110 1HD1 LEU 110 -0.787 15.013 -0.085 905 HD12 LEU 110 2HD1 LEU 110 -0.276 13.972 1.240 906 HD13 LEU 110 3HD1 LEU 110 0.915 14.951 0.376 907 HD21 LEU 110 3HD2 LEU 110 0.388 15.002 3.475 908 HD22 LEU 110 1HD2 LEU 110 0.320 16.752 3.688 909 HD23 LEU 110 2HD2 LEU 110 1.600 16.032 2.709 910 H GLU 111 H GLU 111 -2.878 20.106 -0.043 911 HA GLU 111 HA GLU 111 -1.153 21.715 -1.703 912 HB2 GLU 111 2HB GLU 111 -3.744 21.854 -1.600 913 HB3 GLU 111 3HB GLU 111 -3.565 22.718 -0.086 914 HG2 GLU 111 2HG GLU 111 -2.470 23.658 -2.765 915 HG3 GLU 111 3HG GLU 111 -3.994 24.192 -2.069 916 H HIS 112 H HIS 112 0.762 21.911 -0.649 917 HA HIS 112 HA HIS 112 2.370 22.134 0.811 918 HB2 HIS 112 2HB HIS 112 2.664 24.155 2.009 919 HB3 HIS 112 3HB HIS 112 1.781 24.555 0.551 920 HD1 HIS 112 HD1 HIS 112 -0.645 25.462 0.850 921 HD2 HIS 112 HD2 HIS 112 1.322 24.727 4.442 922 HE1 HIS 112 HE1 HIS 112 -2.021 26.578 2.620 923 HE2 HIS 112 HE2 HIS 112 -0.712 26.283 4.736 924 H HIS 113 H HIS 113 -0.514 22.630 2.875 925 HA HIS 113 HA HIS 113 -1.339 21.660 4.677 926 HB2 HIS 113 2HB HIS 113 -1.311 19.581 3.324 927 HB3 HIS 113 3HB HIS 113 0.342 19.254 3.826 928 HD1 HIS 113 HD1 HIS 113 -3.197 19.127 5.027 929 HD2 HIS 113 HD2 HIS 113 0.593 18.148 6.418 930 HE1 HIS 113 HE1 HIS 113 -3.565 17.799 7.115 931 HE2 HIS 113 HE2 HIS 113 -1.268 17.127 7.870 932 H HIS 114 H HIS 114 1.726 19.968 4.978 933 HA HIS 114 HA HIS 114 3.263 21.722 6.410 934 HB2 HIS 114 2HB HIS 114 1.441 21.559 8.185 935 HB3 HIS 114 3HB HIS 114 1.783 19.839 8.329 936 HD1 HIS 114 HD1 HIS 114 3.297 23.230 9.005 937 HD2 HIS 114 HD2 HIS 114 4.010 19.242 9.924 938 HE1 HIS 114 HE1 HIS 114 5.130 23.245 10.722 939 HE2 HIS 114 HE2 HIS 114 5.426 20.834 11.356 940 H HIS 115 H HIS 115 5.165 20.834 5.863 941 HA HIS 115 HA HIS 115 5.594 18.054 5.339 942 HB2 HIS 115 2HB HIS 115 7.565 20.343 5.771 943 HB3 HIS 115 3HB HIS 115 8.069 18.716 5.328 944 HD1 HIS 115 HD1 HIS 115 8.575 18.578 2.913 945 HD2 HIS 115 HD2 HIS 115 5.501 21.275 3.641 946 HE1 HIS 115 HE1 HIS 115 7.947 19.511 0.667 947 HE2 HIS 115 HE2 HIS 115 6.029 21.061 1.133 948 H HIS 116 H HIS 116 5.578 16.533 6.906 949 HA HIS 116 HA HIS 116 5.455 17.112 9.665 950 HB2 HIS 116 2HB HIS 116 4.301 15.160 8.863 951 HB3 HIS 116 3HB HIS 116 5.770 14.475 8.181 952 HD1 HIS 116 HD1 HIS 116 6.959 12.813 9.610 953 HD2 HIS 116 HD2 HIS 116 4.426 15.218 11.860 954 HE1 HIS 116 HE1 HIS 116 7.053 11.897 11.941 955 HE2 HIS 116 HE2 HIS 116 5.393 13.266 13.234 956 H HIS 117 H HIS 117 7.265 18.164 10.388 957 HA HIS 117 HA HIS 117 9.953 17.217 10.097 958 HB2 HIS 117 2HB HIS 117 9.379 19.615 10.495 959 HB3 HIS 117 3HB HIS 117 8.781 19.206 12.097 960 HD1 HIS 117 HD1 HIS 117 10.429 19.805 13.841 961 HD2 HIS 117 HD2 HIS 117 12.308 18.681 10.315 962 HE1 HIS 117 HE1 HIS 117 12.883 20.085 14.265 963 HE2 HIS 117 HE2 HIS 117 13.990 19.214 12.187 Start of MODEL 15 1 H1 MET 1 1H MET 1 13.021 -17.878 -9.078 2 H2 MET 1 2H MET 1 14.052 -17.082 -8.003 3 H3 MET 1 3H MET 1 14.649 -17.665 -9.468 4 HA MET 1 HA MET 1 14.352 -15.278 -9.502 5 HB2 MET 1 2HB MET 1 12.452 -16.829 -11.318 6 HB3 MET 1 3HB MET 1 12.989 -15.179 -11.616 7 HG2 MET 1 2HG MET 1 14.775 -17.621 -11.522 8 HG3 MET 1 3HG MET 1 14.221 -16.795 -12.982 9 HE1 MET 1 3HE MET 1 18.062 -15.891 -12.775 10 HE2 MET 1 1HE MET 1 16.812 -16.683 -13.731 11 HE3 MET 1 2HE MET 1 17.350 -17.402 -12.211 12 H ALA 2 H ALA 2 11.066 -16.634 -9.884 13 HA ALA 2 HA ALA 2 9.762 -14.318 -8.819 14 HB1 ALA 2 3HB ALA 2 8.676 -17.085 -9.459 15 HB2 ALA 2 1HB ALA 2 8.748 -15.712 -10.567 16 HB3 ALA 2 2HB ALA 2 7.702 -15.644 -9.149 17 H GLY 3 H GLY 3 11.073 -17.161 -7.399 18 HA2 GLY 3 2HA GLY 3 11.380 -17.623 -5.147 19 HA3 GLY 3 3HA GLY 3 10.148 -16.438 -4.728 20 H LYS 4 H LYS 4 8.265 -17.242 -4.060 21 HA LYS 4 HA LYS 4 6.926 -19.480 -5.296 22 HB2 LYS 4 2HB LYS 4 6.762 -20.892 -3.256 23 HB3 LYS 4 3HB LYS 4 8.432 -20.731 -3.789 24 HG2 LYS 4 2HG LYS 4 8.897 -19.100 -2.030 25 HG3 LYS 4 3HG LYS 4 7.202 -19.099 -1.539 26 HD2 LYS 4 2HD LYS 4 7.406 -21.482 -0.862 27 HD3 LYS 4 3HD LYS 4 9.109 -21.467 -1.335 28 HE2 LYS 4 2HE LYS 4 9.547 -19.713 0.367 29 HE3 LYS 4 3HE LYS 4 7.849 -19.762 0.846 30 HZ1 LYS 4 3HZ LYS 4 9.230 -21.067 2.317 31 HZ2 LYS 4 1HZ LYS 4 9.755 -22.028 1.029 32 HZ3 LYS 4 2HZ LYS 4 8.133 -22.058 1.505 33 H GLU 5 H GLU 5 6.789 -16.536 -4.067 34 HA GLU 5 HA GLU 5 4.445 -16.866 -2.275 35 HB2 GLU 5 2HB GLU 5 6.679 -14.796 -2.177 36 HB3 GLU 5 3HB GLU 5 5.308 -14.860 -1.079 37 HG2 GLU 5 2HG GLU 5 6.086 -16.892 -0.072 38 HG3 GLU 5 3HG GLU 5 7.295 -17.134 -1.329 39 H LEU 6 H LEU 6 3.847 -14.175 -1.988 40 HA LEU 6 HA LEU 6 2.058 -13.885 -4.216 41 HB2 LEU 6 2HB LEU 6 2.462 -12.164 -1.720 42 HB3 LEU 6 3HB LEU 6 1.188 -11.918 -2.901 43 HG LEU 6 HG LEU 6 0.272 -14.211 -2.314 44 HD11 LEU 6 1HD1 LEU 6 2.258 -15.252 -1.386 45 HD12 LEU 6 2HD1 LEU 6 0.951 -15.271 -0.204 46 HD13 LEU 6 3HD1 LEU 6 2.269 -14.105 -0.047 47 HD21 LEU 6 3HD2 LEU 6 -0.802 -13.507 -0.224 48 HD22 LEU 6 1HD2 LEU 6 -0.724 -12.181 -1.381 49 HD23 LEU 6 2HD2 LEU 6 0.401 -12.229 -0.026 50 H ARG 7 H ARG 7 2.482 -12.736 -6.009 51 HA ARG 7 HA ARG 7 4.796 -11.025 -6.268 52 HB2 ARG 7 2HB ARG 7 2.556 -11.722 -8.217 53 HB3 ARG 7 3HB ARG 7 3.822 -10.568 -8.611 54 HG2 ARG 7 2HG ARG 7 4.409 -12.642 -9.631 55 HG3 ARG 7 3HG ARG 7 5.510 -12.395 -8.280 56 HD2 ARG 7 2HD ARG 7 4.385 -14.058 -6.953 57 HD3 ARG 7 3HD ARG 7 3.046 -14.168 -8.105 58 HE ARG 7 HE ARG 7 5.215 -14.830 -9.602 59 HH11 ARG 7 1HH1 ARG 7 3.958 -16.106 -6.574 60 HH12 ARG 7 2HH1 ARG 7 4.566 -17.699 -6.857 61 HH21 ARG 7 1HH2 ARG 7 5.966 -16.926 -9.978 62 HH22 ARG 7 2HH2 ARG 7 5.710 -18.177 -8.797 63 H VAL 8 H VAL 8 4.731 -9.034 -5.365 64 HA VAL 8 HA VAL 8 2.251 -7.418 -5.600 65 HB VAL 8 HB VAL 8 2.430 -6.588 -3.427 66 HG11 VAL 8 1HG1 VAL 8 1.929 -8.974 -3.233 67 HG12 VAL 8 2HG1 VAL 8 2.861 -8.442 -1.835 68 HG13 VAL 8 3HG1 VAL 8 3.647 -9.361 -3.121 69 HG21 VAL 8 3HG2 VAL 8 4.464 -6.587 -1.994 70 HG22 VAL 8 1HG2 VAL 8 4.694 -5.693 -3.499 71 HG23 VAL 8 2HG2 VAL 8 5.379 -7.308 -3.321 72 H GLU 9 H GLU 9 2.502 -5.425 -6.496 73 HA GLU 9 HA GLU 9 5.218 -4.231 -6.687 74 HB2 GLU 9 2HB GLU 9 2.801 -3.747 -8.492 75 HB3 GLU 9 3HB GLU 9 4.358 -2.938 -8.634 76 HG2 GLU 9 2HG GLU 9 5.436 -5.035 -9.270 77 HG3 GLU 9 3HG GLU 9 3.935 -5.923 -9.001 78 H ILE 10 H ILE 10 5.094 -3.130 -4.662 79 HA ILE 10 HA ILE 10 2.846 -1.257 -4.285 80 HB ILE 10 HB ILE 10 5.297 -1.651 -2.487 81 HG12 ILE 10 2HG1 ILE 10 3.935 -3.724 -2.526 82 HG13 ILE 10 3HG1 ILE 10 3.780 -2.925 -0.968 83 HG21 ILE 10 1HG2 ILE 10 4.280 0.582 -2.253 84 HG22 ILE 10 2HG2 ILE 10 3.972 -0.384 -0.812 85 HG23 ILE 10 3HG2 ILE 10 2.689 -0.147 -1.997 86 HD11 ILE 10 3HD1 ILE 10 1.582 -2.054 -1.655 87 HD12 ILE 10 1HD1 ILE 10 1.661 -3.814 -1.702 88 HD13 ILE 10 2HD1 ILE 10 1.748 -2.892 -3.201 89 H LYS 11 H LYS 11 3.045 0.760 -5.128 90 HA LYS 11 HA LYS 11 5.658 1.531 -6.279 91 HB2 LYS 11 2HB LYS 11 3.771 0.369 -7.771 92 HB3 LYS 11 3HB LYS 11 3.048 1.966 -7.782 93 HG2 LYS 11 2HG LYS 11 5.907 1.464 -8.645 94 HG3 LYS 11 3HG LYS 11 4.550 1.329 -9.762 95 HD2 LYS 11 2HD LYS 11 4.001 3.697 -9.428 96 HD3 LYS 11 3HD LYS 11 5.265 3.846 -8.205 97 HE2 LYS 11 2HE LYS 11 6.976 3.384 -9.896 98 HE3 LYS 11 3HE LYS 11 5.734 3.175 -11.129 99 HZ1 LYS 11 3HZ LYS 11 6.250 5.694 -9.638 100 HZ2 LYS 11 1HZ LYS 11 5.107 5.471 -10.867 101 HZ3 LYS 11 2HZ LYS 11 6.754 5.365 -11.221 102 H ILE 12 H ILE 12 6.144 3.689 -6.266 103 HA ILE 12 HA ILE 12 4.253 5.586 -4.995 104 HB ILE 12 HB ILE 12 7.315 5.660 -5.016 105 HG12 ILE 12 2HG1 ILE 12 6.388 3.905 -3.489 106 HG13 ILE 12 3HG1 ILE 12 7.218 5.182 -2.608 107 HG21 ILE 12 1HG2 ILE 12 5.351 7.548 -3.657 108 HG22 ILE 12 2HG2 ILE 12 6.402 7.939 -5.020 109 HG23 ILE 12 3HG2 ILE 12 7.104 7.574 -3.444 110 HD11 ILE 12 3HD1 ILE 12 5.045 6.178 -2.027 111 HD12 ILE 12 1HD1 ILE 12 5.195 4.511 -1.466 112 HD13 ILE 12 2HD1 ILE 12 4.228 4.873 -2.895 113 H ASP 13 H ASP 13 3.613 7.266 -6.222 114 HA ASP 13 HA ASP 13 5.317 8.214 -8.441 115 HB2 ASP 13 2HB ASP 13 2.370 7.618 -8.449 116 HB3 ASP 13 3HB ASP 13 2.886 9.045 -9.335 117 H CYS 14 H CYS 14 6.197 10.039 -7.805 118 HA CYS 14 HA CYS 14 4.967 11.655 -5.703 119 HB2 CYS 14 2HB CYS 14 7.756 11.781 -6.886 120 HB3 CYS 14 3HB CYS 14 7.195 12.645 -5.457 121 HG CYS 14 HG CYS 14 8.478 9.657 -5.688 122 H GLY 15 H GLY 15 5.022 11.767 -9.074 123 HA2 GLY 15 2HA GLY 15 3.526 13.894 -9.598 124 HA3 GLY 15 3HA GLY 15 5.072 14.694 -9.334 125 H ASN 16 H ASN 16 6.693 14.512 -10.873 126 HA ASN 16 HA ASN 16 6.260 12.888 -13.297 127 HB2 ASN 16 2HB ASN 16 5.328 15.202 -13.742 128 HB3 ASN 16 3HB ASN 16 6.915 15.874 -13.397 129 HD21 ASN 16 1HD2 ASN 16 6.359 12.866 -15.246 130 HD22 ASN 16 2HD2 ASN 16 6.922 13.497 -16.752 131 H ASP 17 H ASP 17 7.823 12.328 -11.206 132 HA ASP 17 HA ASP 17 10.546 13.247 -11.441 133 HB2 ASP 17 2HB ASP 17 9.356 10.911 -9.855 134 HB3 ASP 17 3HB ASP 17 10.971 11.567 -9.646 135 H ASP 18 H ASP 18 8.621 10.614 -12.665 136 HA ASP 18 HA ASP 18 8.921 8.776 -13.920 137 HB2 ASP 18 2HB ASP 18 11.562 10.039 -14.760 138 HB3 ASP 18 3HB ASP 18 10.787 8.672 -15.562 139 H LYS 19 H LYS 19 10.316 9.163 -11.173 140 HA LYS 19 HA LYS 19 12.240 6.988 -11.184 141 HB2 LYS 19 2HB LYS 19 11.210 8.789 -8.950 142 HB3 LYS 19 3HB LYS 19 12.415 7.532 -8.716 143 HG2 LYS 19 2HG LYS 19 12.889 9.748 -10.724 144 HG3 LYS 19 3HG LYS 19 13.188 10.015 -9.009 145 HD2 LYS 19 2HD LYS 19 15.293 9.425 -9.971 146 HD3 LYS 19 3HD LYS 19 14.763 8.015 -9.064 147 HE2 LYS 19 2HE LYS 19 14.035 6.962 -11.202 148 HE3 LYS 19 3HE LYS 19 14.629 8.374 -12.077 149 HZ1 LYS 19 3HZ LYS 19 16.294 6.599 -10.378 150 HZ2 LYS 19 1HZ LYS 19 16.842 7.907 -11.298 151 HZ3 LYS 19 2HZ LYS 19 16.221 6.536 -12.067 152 H GLU 20 H GLU 20 10.956 5.279 -11.812 153 HA GLU 20 HA GLU 20 8.574 4.454 -10.522 154 HB2 GLU 20 2HB GLU 20 10.642 2.709 -11.937 155 HB3 GLU 20 3HB GLU 20 8.959 2.294 -11.646 156 HG2 GLU 20 2HG GLU 20 9.950 4.509 -13.462 157 HG3 GLU 20 3HG GLU 20 9.385 2.930 -13.995 158 H THR 21 H THR 21 8.472 3.929 -8.413 159 HA THR 21 HA THR 21 10.782 2.621 -7.085 160 HB THR 21 HB THR 21 8.721 4.514 -5.840 161 HG1 THR 21 HG1 THR 21 11.397 4.926 -6.690 162 HG21 THR 21 3HG2 THR 21 10.234 4.535 -3.885 163 HG22 THR 21 1HG2 THR 21 11.283 3.353 -4.671 164 HG23 THR 21 2HG2 THR 21 9.641 2.903 -4.199 165 H THR 22 H THR 22 10.122 0.520 -7.211 166 HA THR 22 HA THR 22 7.553 -0.207 -5.939 167 HB THR 22 HB THR 22 8.087 -2.533 -6.953 168 HG1 THR 22 HG1 THR 22 9.434 -1.915 -9.040 169 HG21 THR 22 3HG2 THR 22 7.523 -0.254 -8.897 170 HG22 THR 22 1HG2 THR 22 6.317 -1.074 -7.898 171 HG23 THR 22 2HG2 THR 22 7.162 -1.960 -9.169 172 H TYR 23 H TYR 23 7.592 -1.634 -4.207 173 HA TYR 23 HA TYR 23 10.185 -1.933 -2.818 174 HB2 TYR 23 2HB TYR 23 7.341 -2.200 -1.725 175 HB3 TYR 23 3HB TYR 23 8.814 -2.367 -0.784 176 HD1 TYR 23 HD1 TYR 23 6.652 0.066 -2.575 177 HD2 TYR 23 HD2 TYR 23 9.974 -0.396 0.074 178 HE1 TYR 23 HE1 TYR 23 6.497 2.438 -1.977 179 HE2 TYR 23 HE2 TYR 23 9.821 1.994 0.671 180 HH TYR 23 HH TYR 23 7.114 3.914 -0.124 181 H ASP 24 H ASP 24 10.997 -3.960 -2.518 182 HA ASP 24 HA ASP 24 9.585 -6.261 -3.658 183 HB2 ASP 24 2HB ASP 24 12.407 -6.071 -2.505 184 HB3 ASP 24 3HB ASP 24 11.716 -7.492 -3.284 185 H LEU 25 H LEU 25 8.030 -6.872 -2.256 186 HA LEU 25 HA LEU 25 8.906 -8.144 0.220 187 HB2 LEU 25 2HB LEU 25 7.066 -7.263 1.568 188 HB3 LEU 25 3HB LEU 25 8.113 -5.967 1.036 189 HG LEU 25 HG LEU 25 5.436 -6.558 -0.327 190 HD11 LEU 25 1HD1 LEU 25 5.003 -6.034 2.027 191 HD12 LEU 25 2HD1 LEU 25 4.473 -4.724 0.979 192 HD13 LEU 25 3HD1 LEU 25 5.974 -4.563 1.900 193 HD21 LEU 25 3HD2 LEU 25 7.013 -5.209 -1.653 194 HD22 LEU 25 1HD2 LEU 25 7.161 -4.057 -0.324 195 HD23 LEU 25 2HD2 LEU 25 5.615 -4.265 -1.152 196 H TYR 26 H TYR 26 7.448 -9.714 0.960 197 HA TYR 26 HA TYR 26 5.434 -10.722 -0.952 198 HB2 TYR 26 2HB TYR 26 7.711 -12.307 0.341 199 HB3 TYR 26 3HB TYR 26 6.373 -13.030 -0.538 200 HD1 TYR 26 HD1 TYR 26 6.239 -12.833 -3.010 201 HD2 TYR 26 HD2 TYR 26 9.565 -11.191 -0.880 202 HE1 TYR 26 HE1 TYR 26 7.492 -12.649 -5.111 203 HE2 TYR 26 HE2 TYR 26 10.820 -11.010 -2.993 204 HH TYR 26 HH TYR 26 9.335 -11.449 -6.064 205 H PHE 27 H PHE 27 3.560 -11.122 0.169 206 HA PHE 27 HA PHE 27 3.549 -10.486 2.976 207 HB2 PHE 27 2HB PHE 27 1.171 -11.472 1.356 208 HB3 PHE 27 3HB PHE 27 1.132 -10.587 2.877 209 HD1 PHE 27 HD2 PHE 27 3.322 -8.497 1.997 210 HD2 PHE 27 HD1 PHE 27 -0.268 -9.935 0.165 211 HE1 PHE 27 HE2 PHE 27 3.083 -6.388 0.770 212 HE2 PHE 27 HE1 PHE 27 -0.488 -7.811 -1.047 213 HZ PHE 27 HZ PHE 27 1.183 -6.036 -0.745 214 H SER 28 H SER 28 4.104 -11.991 4.442 215 HA SER 28 HA SER 28 3.277 -14.747 4.332 216 HB2 SER 28 2HB SER 28 4.061 -13.078 6.756 217 HB3 SER 28 3HB SER 28 4.057 -14.840 6.645 218 HG SER 28 HG SER 28 5.622 -14.410 4.816 219 H LYS 29 H LYS 29 1.873 -15.379 6.455 220 HA LYS 29 HA LYS 29 -0.767 -14.900 5.721 221 HB2 LYS 29 2HB LYS 29 0.040 -16.940 6.802 222 HB3 LYS 29 3HB LYS 29 0.378 -16.054 8.282 223 HG2 LYS 29 2HG LYS 29 -2.007 -15.715 8.682 224 HG3 LYS 29 3HG LYS 29 -2.402 -16.444 7.120 225 HD2 LYS 29 2HD LYS 29 -2.743 -18.036 9.001 226 HD3 LYS 29 3HD LYS 29 -1.530 -18.604 7.852 227 HE2 LYS 29 2HE LYS 29 0.263 -17.829 9.392 228 HE3 LYS 29 3HE LYS 29 -0.963 -17.312 10.547 229 HZ1 LYS 29 3HZ LYS 29 -0.491 -20.095 9.626 230 HZ2 LYS 29 1HZ LYS 29 -1.722 -19.615 10.679 231 HZ3 LYS 29 2HZ LYS 29 -0.109 -19.457 11.146 232 H ALA 30 H ALA 30 -1.019 -12.575 5.738 233 HA ALA 30 HA ALA 30 -2.016 -10.674 6.381 234 HB1 ALA 30 3HB ALA 30 -3.847 -12.263 6.664 235 HB2 ALA 30 1HB ALA 30 -4.003 -10.904 7.777 236 HB3 ALA 30 2HB ALA 30 -3.427 -12.469 8.361 237 H GLU 31 H GLU 31 -1.893 -12.057 9.692 238 HA GLU 31 HA GLU 31 -1.095 -9.606 10.904 239 HB2 GLU 31 2HB GLU 31 -2.381 -11.394 12.106 240 HB3 GLU 31 3HB GLU 31 -0.936 -12.403 12.122 241 HG2 GLU 31 2HG GLU 31 0.226 -10.858 13.571 242 HG3 GLU 31 3HG GLU 31 -1.024 -9.632 13.373 243 H GLU 32 H GLU 32 0.641 -12.369 9.687 244 HA GLU 32 HA GLU 32 3.245 -11.660 10.639 245 HB2 GLU 32 2HB GLU 32 2.466 -13.375 8.240 246 HB3 GLU 32 3HB GLU 32 4.016 -13.391 9.073 247 HG2 GLU 32 2HG GLU 32 1.363 -14.300 10.228 248 HG3 GLU 32 3HG GLU 32 2.657 -15.347 9.655 249 H ALA 33 H ALA 33 1.308 -10.839 7.823 250 HA ALA 33 HA ALA 33 3.343 -9.540 6.282 251 HB1 ALA 33 3HB ALA 33 0.322 -9.303 6.107 252 HB2 ALA 33 1HB ALA 33 1.336 -10.441 5.221 253 HB3 ALA 33 2HB ALA 33 1.474 -8.710 4.905 254 H LYS 34 H LYS 34 1.406 -8.548 8.999 255 HA LYS 34 HA LYS 34 1.102 -5.811 8.679 256 HB2 LYS 34 2HB LYS 34 1.563 -7.403 11.218 257 HB3 LYS 34 3HB LYS 34 1.070 -5.713 11.219 258 HG2 LYS 34 2HG LYS 34 -0.512 -7.949 9.921 259 HG3 LYS 34 3HG LYS 34 -0.798 -7.354 11.552 260 HD2 LYS 34 2HD LYS 34 -1.022 -5.662 9.029 261 HD3 LYS 34 3HD LYS 34 -2.377 -6.417 9.870 262 HE2 LYS 34 2HE LYS 34 -1.714 -5.109 11.935 263 HE3 LYS 34 3HE LYS 34 -0.556 -4.235 10.924 264 HZ1 LYS 34 3HZ LYS 34 -2.613 -3.026 11.120 265 HZ2 LYS 34 1HZ LYS 34 -3.494 -4.342 10.527 266 HZ3 LYS 34 2HZ LYS 34 -2.405 -3.537 9.523 267 H GLU 35 H GLU 35 4.050 -7.499 9.608 268 HA GLU 35 HA GLU 35 5.593 -5.337 10.543 269 HB2 GLU 35 2HB GLU 35 6.073 -7.899 10.541 270 HB3 GLU 35 3HB GLU 35 6.711 -7.666 8.924 271 HG2 GLU 35 2HG GLU 35 7.732 -6.242 11.397 272 HG3 GLU 35 3HG GLU 35 8.435 -7.725 10.759 273 H LEU 36 H LEU 36 5.215 -6.708 7.292 274 HA LEU 36 HA LEU 36 6.824 -4.883 5.841 275 HB2 LEU 36 2HB LEU 36 4.538 -6.681 4.927 276 HB3 LEU 36 3HB LEU 36 5.526 -5.738 3.832 277 HG LEU 36 HG LEU 36 6.369 -7.932 3.691 278 HD11 LEU 36 1HD1 LEU 36 8.275 -6.461 5.536 279 HD12 LEU 36 2HD1 LEU 36 8.130 -6.241 3.790 280 HD13 LEU 36 3HD1 LEU 36 8.682 -7.781 4.436 281 HD21 LEU 36 3HD2 LEU 36 7.034 -9.362 5.581 282 HD22 LEU 36 1HD2 LEU 36 5.328 -8.929 5.678 283 HD23 LEU 36 2HD2 LEU 36 6.500 -8.127 6.725 284 H LEU 37 H LEU 37 3.450 -4.937 6.752 285 HA LEU 37 HA LEU 37 2.368 -2.857 5.248 286 HB2 LEU 37 2HB LEU 37 0.970 -4.355 6.439 287 HB3 LEU 37 3HB LEU 37 1.741 -4.025 7.965 288 HG LEU 37 HG LEU 37 0.235 -1.741 6.702 289 HD11 LEU 37 1HD1 LEU 37 -1.168 -4.111 7.976 290 HD12 LEU 37 2HD1 LEU 37 -1.314 -3.568 6.301 291 HD13 LEU 37 3HD1 LEU 37 -1.909 -2.554 7.607 292 HD21 LEU 37 3HD2 LEU 37 -0.368 -1.249 9.056 293 HD22 LEU 37 1HD2 LEU 37 1.379 -1.409 8.872 294 HD23 LEU 37 2HD2 LEU 37 0.445 -2.726 9.583 295 H LYS 38 H LYS 38 3.909 -2.794 8.436 296 HA LYS 38 HA LYS 38 3.713 -0.034 8.928 297 HB2 LYS 38 2HB LYS 38 4.215 -1.651 10.708 298 HB3 LYS 38 3HB LYS 38 5.745 -2.070 9.934 299 HG2 LYS 38 2HG LYS 38 6.544 0.255 10.291 300 HG3 LYS 38 3HG LYS 38 5.023 0.643 11.097 301 HD2 LYS 38 2HD LYS 38 5.546 -0.991 12.880 302 HD3 LYS 38 3HD LYS 38 7.050 -1.418 12.053 303 HE2 LYS 38 2HE LYS 38 7.870 0.890 12.348 304 HE3 LYS 38 3HE LYS 38 6.368 1.324 13.170 305 HZ1 LYS 38 3HZ LYS 38 8.381 -0.647 14.098 306 HZ2 LYS 38 1HZ LYS 38 6.902 -0.350 14.858 307 HZ3 LYS 38 2HZ LYS 38 8.064 0.871 14.768 308 H LYS 39 H LYS 39 6.367 -2.012 7.570 309 HA LYS 39 HA LYS 39 8.293 -0.027 7.259 310 HB2 LYS 39 2HB LYS 39 7.854 -2.647 5.776 311 HB3 LYS 39 3HB LYS 39 9.256 -1.628 5.468 312 HG2 LYS 39 2HG LYS 39 8.552 -2.811 8.178 313 HG3 LYS 39 3HG LYS 39 9.729 -3.489 7.047 314 HD2 LYS 39 2HD LYS 39 11.123 -1.478 7.219 315 HD3 LYS 39 3HD LYS 39 9.925 -0.696 8.255 316 HE2 LYS 39 2HE LYS 39 11.856 -1.578 9.537 317 HE3 LYS 39 3HE LYS 39 10.339 -2.340 10.020 318 HZ1 LYS 39 3HZ LYS 39 12.169 -3.915 9.781 319 HZ2 LYS 39 1HZ LYS 39 12.305 -3.534 8.142 320 HZ3 LYS 39 2HZ LYS 39 10.896 -4.266 8.730 321 H VAL 40 H VAL 40 5.808 -1.073 4.914 322 HA VAL 40 HA VAL 40 6.592 0.620 2.783 323 HB VAL 40 HB VAL 40 3.877 -0.624 3.428 324 HG11 VAL 40 1HG1 VAL 40 4.717 0.813 0.879 325 HG12 VAL 40 2HG1 VAL 40 3.508 1.372 2.038 326 HG13 VAL 40 3HG1 VAL 40 3.215 -0.091 1.098 327 HG21 VAL 40 3HG2 VAL 40 5.669 -2.253 2.913 328 HG22 VAL 40 1HG2 VAL 40 6.003 -1.420 1.393 329 HG23 VAL 40 2HG2 VAL 40 4.454 -2.233 1.634 330 H ALA 41 H ALA 41 4.141 1.041 5.366 331 HA ALA 41 HA ALA 41 3.207 3.574 4.471 332 HB1 ALA 41 3HB ALA 41 1.845 2.039 5.820 333 HB2 ALA 41 1HB ALA 41 1.945 3.633 6.567 334 HB3 ALA 41 2HB ALA 41 2.906 2.296 7.210 335 H GLU 42 H GLU 42 5.808 2.693 6.673 336 HA GLU 42 HA GLU 42 6.249 5.252 7.874 337 HB2 GLU 42 2HB GLU 42 8.057 2.820 7.523 338 HB3 GLU 42 3HB GLU 42 8.560 4.251 8.407 339 HG2 GLU 42 2HG GLU 42 6.146 2.584 9.156 340 HG3 GLU 42 3HG GLU 42 7.755 2.316 9.813 341 H LYS 43 H LYS 43 7.818 3.483 5.215 342 HA LYS 43 HA LYS 43 9.774 5.486 4.666 343 HB2 LYS 43 2HB LYS 43 8.904 3.023 3.084 344 HB3 LYS 43 3HB LYS 43 10.309 4.013 2.685 345 HG2 LYS 43 2HG LYS 43 11.335 3.486 4.852 346 HG3 LYS 43 3HG LYS 43 9.916 2.542 5.316 347 HD2 LYS 43 2HD LYS 43 10.391 0.950 3.460 348 HD3 LYS 43 3HD LYS 43 11.825 1.892 3.031 349 HE2 LYS 43 2HE LYS 43 12.712 1.468 5.344 350 HE3 LYS 43 3HE LYS 43 11.331 0.409 5.632 351 HZ1 LYS 43 3HZ LYS 43 13.349 -0.772 4.987 352 HZ2 LYS 43 1HZ LYS 43 13.352 0.022 3.496 353 HZ3 LYS 43 2HZ LYS 43 12.090 -1.033 3.887 354 H ALA 44 H ALA 44 6.762 4.478 3.048 355 HA ALA 44 HA ALA 44 6.830 6.146 0.802 356 HB1 ALA 44 3HB ALA 44 4.377 5.170 2.304 357 HB2 ALA 44 1HB ALA 44 5.232 4.295 1.035 358 HB3 ALA 44 2HB ALA 44 4.396 5.803 0.655 359 H ALA 45 H ALA 45 5.762 6.768 4.102 360 HA ALA 45 HA ALA 45 4.481 9.223 3.818 361 HB1 ALA 45 3HB ALA 45 4.891 9.524 6.219 362 HB2 ALA 45 1HB ALA 45 6.116 8.244 6.181 363 HB3 ALA 45 2HB ALA 45 4.424 7.860 5.867 364 H ASP 46 H ASP 46 7.937 8.490 4.028 365 HA ASP 46 HA ASP 46 8.812 11.209 4.296 366 HB2 ASP 46 2HB ASP 46 10.328 8.679 3.547 367 HB3 ASP 46 3HB ASP 46 11.108 10.255 3.670 368 H LYS 47 H LYS 47 8.271 9.066 1.472 369 HA LYS 47 HA LYS 47 9.547 10.749 -0.463 370 HB2 LYS 47 2HB LYS 47 7.345 8.669 -0.848 371 HB3 LYS 47 3HB LYS 47 8.054 9.560 -2.184 372 HG2 LYS 47 2HG LYS 47 9.192 7.519 -2.253 373 HG3 LYS 47 3HG LYS 47 10.330 8.559 -1.392 374 HD2 LYS 47 2HD LYS 47 9.619 7.604 0.749 375 HD3 LYS 47 3HD LYS 47 8.379 6.648 -0.064 376 HE2 LYS 47 2HE LYS 47 10.197 5.176 0.436 377 HE3 LYS 47 3HE LYS 47 10.228 5.453 -1.304 378 HZ1 LYS 47 3HZ LYS 47 11.924 6.937 0.618 379 HZ2 LYS 47 1HZ LYS 47 12.062 6.907 -1.064 380 HZ3 LYS 47 2HZ LYS 47 12.420 5.525 -0.161 381 H ILE 48 H ILE 48 6.268 10.559 0.791 382 HA ILE 48 HA ILE 48 5.024 12.478 -0.931 383 HB ILE 48 HB ILE 48 4.129 11.501 1.823 384 HG12 ILE 48 2HG1 ILE 48 3.503 10.352 -0.930 385 HG13 ILE 48 3HG1 ILE 48 4.537 9.615 0.279 386 HG21 ILE 48 1HG2 ILE 48 2.892 13.514 1.102 387 HG22 ILE 48 2HG2 ILE 48 1.837 12.101 1.106 388 HG23 ILE 48 3HG2 ILE 48 2.471 12.722 -0.420 389 HD11 ILE 48 3HD1 ILE 48 2.604 9.379 1.753 390 HD12 ILE 48 1HD1 ILE 48 2.423 8.523 0.224 391 HD13 ILE 48 2HD1 ILE 48 1.578 10.047 0.480 392 H LYS 49 H LYS 49 6.751 12.608 2.093 393 HA LYS 49 HA LYS 49 5.952 15.055 3.167 394 HB2 LYS 49 2HB LYS 49 7.225 13.213 4.302 395 HB3 LYS 49 3HB LYS 49 8.673 13.719 3.440 396 HG2 LYS 49 2HG LYS 49 8.596 15.903 4.589 397 HG3 LYS 49 3HG LYS 49 7.121 15.419 5.429 398 HD2 LYS 49 2HD LYS 49 9.848 14.100 5.702 399 HD3 LYS 49 3HD LYS 49 9.089 15.157 6.890 400 HE2 LYS 49 2HE LYS 49 7.310 13.504 7.266 401 HE3 LYS 49 3HE LYS 49 7.977 12.466 6.001 402 HZ1 LYS 49 3HZ LYS 49 9.967 12.183 7.317 403 HZ2 LYS 49 1HZ LYS 49 8.610 11.737 8.218 404 HZ3 LYS 49 2HZ LYS 49 9.369 13.216 8.516 405 H LYS 50 H LYS 50 8.244 14.398 0.574 406 HA LYS 50 HA LYS 50 9.661 16.874 0.587 407 HB2 LYS 50 2HB LYS 50 9.271 14.706 -1.489 408 HB3 LYS 50 3HB LYS 50 10.012 16.227 -1.975 409 HG2 LYS 50 2HG LYS 50 11.712 14.558 -1.478 410 HG3 LYS 50 3HG LYS 50 11.815 15.899 -0.333 411 HD2 LYS 50 2HD LYS 50 10.580 14.521 1.340 412 HD3 LYS 50 3HD LYS 50 10.541 13.184 0.187 413 HE2 LYS 50 2HE LYS 50 12.980 13.023 0.252 414 HE3 LYS 50 3HE LYS 50 13.069 14.427 1.322 415 HZ1 LYS 50 3HZ LYS 50 13.230 12.310 2.509 416 HZ2 LYS 50 1HZ LYS 50 11.685 11.884 1.980 417 HZ3 LYS 50 2HZ LYS 50 11.896 13.212 3.009 418 H GLN 51 H GLN 51 6.517 16.002 -0.650 419 HA GLN 51 HA GLN 51 5.869 18.734 -1.334 420 HB2 GLN 51 2HB GLN 51 6.987 18.048 -3.420 421 HB3 GLN 51 3HB GLN 51 5.980 16.610 -3.529 422 HG2 GLN 51 2HG GLN 51 3.990 18.016 -3.895 423 HG3 GLN 51 3HG GLN 51 4.980 19.470 -3.739 424 HE21 GLN 51 1HE2 GLN 51 6.377 20.022 -5.423 425 HE22 GLN 51 2HE2 GLN 51 6.263 19.321 -6.994 426 H GLY 52 H GLY 52 4.625 15.552 -2.401 427 HA2 GLY 52 2HA GLY 52 2.600 14.926 -0.772 428 HA3 GLY 52 3HA GLY 52 1.902 16.290 -1.650 429 H CYS 53 H CYS 53 3.309 13.068 -1.988 430 HA CYS 53 HA CYS 53 2.863 12.658 -4.736 431 HB2 CYS 53 2HB CYS 53 2.880 10.525 -2.554 432 HB3 CYS 53 3HB CYS 53 3.207 10.283 -4.269 433 HG CYS 53 HG CYS 53 5.712 10.203 -3.640 434 H LYS 54 H LYS 54 0.939 13.022 -5.576 435 HA LYS 54 HA LYS 54 -1.552 12.865 -4.248 436 HB2 LYS 54 2HB LYS 54 -1.129 14.439 -6.094 437 HB3 LYS 54 3HB LYS 54 -0.943 13.101 -7.220 438 HG2 LYS 54 2HG LYS 54 -3.309 12.478 -6.905 439 HG3 LYS 54 3HG LYS 54 -3.512 13.777 -5.728 440 HD2 LYS 54 2HD LYS 54 -2.860 14.120 -8.685 441 HD3 LYS 54 3HD LYS 54 -4.421 14.426 -7.923 442 HE2 LYS 54 2HE LYS 54 -3.416 16.244 -6.581 443 HE3 LYS 54 3HE LYS 54 -1.847 15.926 -7.326 444 HZ1 LYS 54 3HZ LYS 54 -4.291 16.832 -8.743 445 HZ2 LYS 54 1HZ LYS 54 -2.802 16.508 -9.472 446 HZ3 LYS 54 2HZ LYS 54 -2.946 17.784 -8.370 447 H ARG 55 H ARG 55 0.218 10.649 -6.320 448 HA ARG 55 HA ARG 55 -1.895 8.611 -5.919 449 HB2 ARG 55 2HB ARG 55 -0.098 8.995 -8.361 450 HB3 ARG 55 3HB ARG 55 -1.241 7.671 -8.137 451 HG2 ARG 55 2HG ARG 55 -3.131 9.145 -8.262 452 HG3 ARG 55 3HG ARG 55 -2.109 10.578 -8.138 453 HD2 ARG 55 2HD ARG 55 -1.123 10.008 -10.368 454 HD3 ARG 55 3HD ARG 55 -2.265 8.665 -10.488 455 HE ARG 55 HE ARG 55 -4.000 10.155 -10.864 456 HH11 ARG 55 1HH1 ARG 55 -1.086 11.969 -10.115 457 HH12 ARG 55 2HH1 ARG 55 -1.755 13.483 -10.624 458 HH21 ARG 55 1HH2 ARG 55 -4.892 12.162 -11.465 459 HH22 ARG 55 2HH2 ARG 55 -3.911 13.596 -11.390 460 H VAL 56 H VAL 56 -1.110 7.348 -4.405 461 HA VAL 56 HA VAL 56 1.578 6.123 -4.691 462 HB VAL 56 HB VAL 56 -0.384 6.164 -2.316 463 HG11 VAL 56 1HG1 VAL 56 1.360 4.989 -1.010 464 HG12 VAL 56 2HG1 VAL 56 2.349 4.842 -2.466 465 HG13 VAL 56 3HG1 VAL 56 0.794 4.015 -2.371 466 HG21 VAL 56 3HG2 VAL 56 2.332 7.503 -2.589 467 HG22 VAL 56 1HG2 VAL 56 1.317 7.512 -1.143 468 HG23 VAL 56 2HG2 VAL 56 0.767 8.319 -2.615 469 H LYS 57 H LYS 57 1.425 4.114 -5.653 470 HA LYS 57 HA LYS 57 -1.307 3.091 -6.170 471 HB2 LYS 57 2HB LYS 57 1.228 3.172 -7.856 472 HB3 LYS 57 3HB LYS 57 -0.180 2.210 -8.310 473 HG2 LYS 57 2HG LYS 57 -1.509 4.081 -8.773 474 HG3 LYS 57 3HG LYS 57 -0.604 5.131 -7.681 475 HD2 LYS 57 2HD LYS 57 -0.266 5.738 -10.054 476 HD3 LYS 57 3HD LYS 57 1.237 5.274 -9.257 477 HE2 LYS 57 2HE LYS 57 1.102 3.044 -10.328 478 HE3 LYS 57 3HE LYS 57 -0.396 3.524 -11.127 479 HZ1 LYS 57 3HZ LYS 57 1.565 3.737 -12.555 480 HZ2 LYS 57 1HZ LYS 57 2.219 4.879 -11.493 481 HZ3 LYS 57 2HZ LYS 57 0.782 5.222 -12.319 482 H ILE 58 H ILE 58 -1.725 1.365 -5.007 483 HA ILE 58 HA ILE 58 0.333 -0.638 -4.365 484 HB ILE 58 HB ILE 58 -2.565 -0.312 -3.413 485 HG12 ILE 58 2HG1 ILE 58 0.052 0.135 -1.895 486 HG13 ILE 58 3HG1 ILE 58 -1.012 1.407 -2.479 487 HG21 ILE 58 1HG2 ILE 58 -0.523 -2.384 -2.538 488 HG22 ILE 58 2HG2 ILE 58 -1.985 -2.697 -3.473 489 HG23 ILE 58 3HG2 ILE 58 -2.107 -2.143 -1.803 490 HD11 ILE 58 3HD1 ILE 58 -1.286 1.091 -0.107 491 HD12 ILE 58 1HD1 ILE 58 -1.666 -0.616 -0.333 492 HD13 ILE 58 2HD1 ILE 58 -2.765 0.624 -0.942 493 H ARG 59 H ARG 59 0.574 -2.060 -5.937 494 HA ARG 59 HA ARG 59 -1.731 -3.119 -7.468 495 HB2 ARG 59 2HB ARG 59 1.170 -3.270 -8.398 496 HB3 ARG 59 3HB ARG 59 -0.297 -3.460 -9.349 497 HG2 ARG 59 2HG ARG 59 -0.715 -0.949 -8.899 498 HG3 ARG 59 3HG ARG 59 0.951 -0.900 -8.311 499 HD2 ARG 59 2HD ARG 59 0.940 -0.212 -10.634 500 HD3 ARG 59 3HD ARG 59 1.700 -1.807 -10.534 501 HE ARG 59 HE ARG 59 -1.170 -1.576 -11.192 502 HH11 ARG 59 1HH1 ARG 59 2.053 -2.566 -12.237 503 HH12 ARG 59 2HH1 ARG 59 1.459 -3.404 -13.640 504 HH21 ARG 59 1HH2 ARG 59 -1.916 -2.686 -12.985 505 HH22 ARG 59 2HH2 ARG 59 -0.805 -3.469 -14.060 506 H PHE 60 H PHE 60 -1.814 -5.360 -7.645 507 HA PHE 60 HA PHE 60 0.074 -7.073 -6.239 508 HB2 PHE 60 2HB PHE 60 -1.270 -6.190 -4.377 509 HB3 PHE 60 3HB PHE 60 -2.773 -6.561 -5.221 510 HD1 PHE 60 HD2 PHE 60 0.317 -8.244 -3.934 511 HD2 PHE 60 HD1 PHE 60 -3.888 -8.583 -4.674 512 HE1 PHE 60 HE2 PHE 60 0.291 -10.445 -2.865 513 HE2 PHE 60 HE1 PHE 60 -3.897 -10.796 -3.593 514 HZ PHE 60 HZ PHE 60 -1.799 -11.717 -2.687 515 H GLU 61 H GLU 61 -0.061 -9.158 -7.010 516 HA GLU 61 HA GLU 61 -1.705 -9.641 -9.366 517 HB2 GLU 61 2HB GLU 61 0.712 -10.294 -9.275 518 HB3 GLU 61 3HB GLU 61 0.351 -11.424 -7.974 519 HG2 GLU 61 2HG GLU 61 -1.174 -12.655 -9.540 520 HG3 GLU 61 3HG GLU 61 -0.650 -11.587 -10.839 521 H LYS 62 H LYS 62 -3.302 -11.246 -9.535 522 HA LYS 62 HA LYS 62 -4.251 -12.535 -7.023 523 HB2 LYS 62 2HB LYS 62 -5.581 -10.521 -8.338 524 HB3 LYS 62 3HB LYS 62 -6.247 -11.894 -9.200 525 HG2 LYS 62 2HG LYS 62 -6.350 -11.537 -6.181 526 HG3 LYS 62 3HG LYS 62 -7.642 -11.059 -7.275 527 HD2 LYS 62 2HD LYS 62 -6.617 -13.899 -6.912 528 HD3 LYS 62 3HD LYS 62 -8.075 -13.246 -6.167 529 HE2 LYS 62 2HE LYS 62 -9.171 -13.014 -8.302 530 HE3 LYS 62 3HE LYS 62 -7.668 -13.324 -9.175 531 HZ1 LYS 62 3HZ LYS 62 -7.685 -15.581 -8.310 532 HZ2 LYS 62 1HZ LYS 62 -9.084 -15.254 -9.200 533 HZ3 LYS 62 2HZ LYS 62 -9.143 -15.286 -7.512 534 H LYS 63 H LYS 63 -2.447 -13.414 -9.374 535 HA LYS 63 HA LYS 63 -4.063 -15.540 -10.619 536 HB2 LYS 63 2HB LYS 63 -1.318 -14.476 -11.385 537 HB3 LYS 63 3HB LYS 63 -2.220 -15.700 -12.267 538 HG2 LYS 63 2HG LYS 63 -3.369 -12.935 -11.841 539 HG3 LYS 63 3HG LYS 63 -2.223 -13.251 -13.137 540 HD2 LYS 63 2HD LYS 63 -4.432 -13.363 -14.077 541 HD3 LYS 63 3HD LYS 63 -3.803 -15.007 -14.029 542 HE2 LYS 63 2HE LYS 63 -5.187 -15.512 -12.089 543 HE3 LYS 63 3HE LYS 63 -5.716 -13.834 -11.984 544 HZ1 LYS 63 3HZ LYS 63 -7.397 -15.170 -13.022 545 HZ2 LYS 63 1HZ LYS 63 -6.306 -15.726 -14.191 546 HZ3 LYS 63 2HZ LYS 63 -6.761 -14.101 -14.159 547 H GLY 64 H GLY 64 -0.750 -15.228 -9.260 548 HA2 GLY 64 2HA GLY 64 -0.512 -18.142 -9.022 549 HA3 GLY 64 3HA GLY 64 0.746 -16.946 -8.749 550 H LEU 65 H LEU 65 -2.487 -17.457 -7.328 551 HA LEU 65 HA LEU 65 -1.691 -18.355 -4.778 552 HB2 LEU 65 2HB LEU 65 -2.324 -16.250 -3.478 553 HB3 LEU 65 3HB LEU 65 -0.797 -16.196 -4.334 554 HG LEU 65 HG LEU 65 -2.262 -14.970 -6.233 555 HD11 LEU 65 1HD1 LEU 65 -3.865 -14.271 -3.752 556 HD12 LEU 65 2HD1 LEU 65 -4.448 -15.168 -5.156 557 HD13 LEU 65 3HD1 LEU 65 -3.989 -13.476 -5.325 558 HD21 LEU 65 3HD2 LEU 65 -1.266 -13.557 -3.742 559 HD22 LEU 65 1HD2 LEU 65 -1.587 -12.796 -5.302 560 HD23 LEU 65 2HD2 LEU 65 -0.305 -13.993 -5.158 561 H ASP 66 H ASP 66 -3.746 -17.585 -3.191 562 HA ASP 66 HA ASP 66 -6.149 -18.604 -4.603 563 HB2 ASP 66 2HB ASP 66 -5.111 -20.118 -2.875 564 HB3 ASP 66 3HB ASP 66 -5.382 -18.881 -1.655 565 H ASP 67 H ASP 67 -8.234 -17.867 -3.718 566 HA ASP 67 HA ASP 67 -8.596 -15.095 -3.605 567 HB2 ASP 67 2HB ASP 67 -10.341 -16.676 -4.339 568 HB3 ASP 67 3HB ASP 67 -10.473 -17.332 -2.713 569 H ASP 68 H ASP 68 -8.036 -17.371 -1.020 570 HA ASP 68 HA ASP 68 -8.769 -15.799 1.222 571 HB2 ASP 68 2HB ASP 68 -8.425 -18.207 1.419 572 HB3 ASP 68 3HB ASP 68 -6.751 -18.065 0.903 573 H ALA 69 H ALA 69 -5.703 -16.216 -0.538 574 HA ALA 69 HA ALA 69 -4.117 -14.394 0.961 575 HB1 ALA 69 3HB ALA 69 -2.520 -14.543 -0.901 576 HB2 ALA 69 1HB ALA 69 -3.746 -15.327 -1.909 577 HB3 ALA 69 2HB ALA 69 -3.133 -16.139 -0.468 578 H ARG 70 H ARG 70 -6.237 -14.020 -1.821 579 HA ARG 70 HA ARG 70 -5.698 -11.395 -2.632 580 HB2 ARG 70 2HB ARG 70 -7.105 -12.790 -3.989 581 HB3 ARG 70 3HB ARG 70 -8.197 -13.118 -2.655 582 HG2 ARG 70 2HG ARG 70 -8.877 -10.644 -2.773 583 HG3 ARG 70 3HG ARG 70 -7.991 -10.574 -4.298 584 HD2 ARG 70 2HD ARG 70 -9.438 -12.366 -5.218 585 HD3 ARG 70 3HD ARG 70 -10.303 -12.455 -3.681 586 HE ARG 70 HE ARG 70 -10.375 -9.830 -4.797 587 HH11 ARG 70 1HH1 ARG 70 -11.949 -12.975 -5.021 588 HH12 ARG 70 2HH1 ARG 70 -13.421 -12.323 -5.665 589 HH21 ARG 70 1HH2 ARG 70 -12.292 -9.012 -5.657 590 HH22 ARG 70 2HH2 ARG 70 -13.613 -10.074 -6.022 591 H LYS 71 H LYS 71 -8.009 -12.606 -0.164 592 HA LYS 71 HA LYS 71 -9.070 -10.030 0.495 593 HB2 LYS 71 2HB LYS 71 -10.395 -12.093 0.777 594 HB3 LYS 71 3HB LYS 71 -9.280 -12.664 2.017 595 HG2 LYS 71 2HG LYS 71 -9.908 -10.733 3.457 596 HG3 LYS 71 3HG LYS 71 -11.033 -10.178 2.215 597 HD2 LYS 71 2HD LYS 71 -12.389 -12.215 2.500 598 HD3 LYS 71 3HD LYS 71 -11.231 -12.844 3.676 599 HE2 LYS 71 2HE LYS 71 -11.739 -10.905 5.164 600 HE3 LYS 71 3HE LYS 71 -12.948 -10.358 4.002 601 HZ1 LYS 71 3HZ LYS 71 -13.931 -11.597 5.825 602 HZ2 LYS 71 1HZ LYS 71 -13.000 -12.952 5.449 603 HZ3 LYS 71 2HZ LYS 71 -14.172 -12.403 4.361 604 H LYS 72 H LYS 72 -6.629 -12.132 1.999 605 HA LYS 72 HA LYS 72 -6.149 -10.616 4.334 606 HB2 LYS 72 2HB LYS 72 -4.420 -12.574 2.777 607 HB3 LYS 72 3HB LYS 72 -3.831 -11.792 4.241 608 HG2 LYS 72 2HG LYS 72 -5.704 -12.779 5.522 609 HG3 LYS 72 3HG LYS 72 -6.276 -13.590 4.060 610 HD2 LYS 72 2HD LYS 72 -4.350 -15.014 3.979 611 HD3 LYS 72 3HD LYS 72 -3.477 -14.037 5.165 612 HE2 LYS 72 2HE LYS 72 -4.310 -16.164 6.125 613 HE3 LYS 72 3HE LYS 72 -4.993 -14.755 6.934 614 HZ1 LYS 72 3HZ LYS 72 -6.363 -16.404 4.882 615 HZ2 LYS 72 1HZ LYS 72 -7.018 -15.058 5.656 616 HZ3 LYS 72 2HZ LYS 72 -6.659 -16.447 6.546 617 H ALA 73 H ALA 73 -4.672 -10.516 1.112 618 HA ALA 73 HA ALA 73 -2.814 -8.400 1.653 619 HB1 ALA 73 3HB ALA 73 -2.437 -10.058 -0.104 620 HB2 ALA 73 1HB ALA 73 -2.438 -8.427 -0.771 621 HB3 ALA 73 2HB ALA 73 -3.846 -9.474 -0.989 622 H LYS 74 H LYS 74 -6.136 -8.558 0.530 623 HA LYS 74 HA LYS 74 -6.442 -5.941 -0.471 624 HB2 LYS 74 2HB LYS 74 -8.166 -7.587 -0.934 625 HB3 LYS 74 3HB LYS 74 -8.450 -7.860 0.784 626 HG2 LYS 74 2HG LYS 74 -9.323 -5.544 1.000 627 HG3 LYS 74 3HG LYS 74 -9.076 -5.295 -0.733 628 HD2 LYS 74 2HD LYS 74 -10.740 -7.019 -1.251 629 HD3 LYS 74 3HD LYS 74 -10.904 -7.417 0.463 630 HE2 LYS 74 2HE LYS 74 -11.793 -5.159 0.907 631 HE3 LYS 74 3HE LYS 74 -11.631 -4.754 -0.806 632 HZ1 LYS 74 3HZ LYS 74 -13.877 -5.370 -0.311 633 HZ2 LYS 74 1HZ LYS 74 -13.385 -6.847 0.347 634 HZ3 LYS 74 2HZ LYS 74 -13.188 -6.548 -1.302 635 H LYS 75 H LYS 75 -7.160 -7.330 2.738 636 HA LYS 75 HA LYS 75 -7.948 -4.913 3.971 637 HB2 LYS 75 2HB LYS 75 -8.617 -7.144 4.845 638 HB3 LYS 75 3HB LYS 75 -6.944 -7.483 5.288 639 HG2 LYS 75 2HG LYS 75 -8.225 -6.798 7.263 640 HG3 LYS 75 3HG LYS 75 -6.988 -5.591 6.894 641 HD2 LYS 75 2HD LYS 75 -8.852 -4.298 5.644 642 HD3 LYS 75 3HD LYS 75 -9.990 -5.403 6.416 643 HE2 LYS 75 2HE LYS 75 -8.074 -3.519 7.829 644 HE3 LYS 75 3HE LYS 75 -9.818 -3.315 7.678 645 HZ1 LYS 75 3HZ LYS 75 -8.477 -5.547 9.097 646 HZ2 LYS 75 1HZ LYS 75 -10.142 -5.283 9.003 647 HZ3 LYS 75 2HZ LYS 75 -9.157 -4.190 9.837 648 H TRP 76 H TRP 76 -4.866 -6.648 3.796 649 HA TRP 76 HA TRP 76 -3.193 -5.078 5.363 650 HB2 TRP 76 2HB TRP 76 -2.542 -7.212 4.222 651 HB3 TRP 76 3HB TRP 76 -2.576 -6.390 2.669 652 HD1 TRP 76 HD1 TRP 76 -0.380 -6.895 5.746 653 HE1 TRP 76 HE1 TRP 76 1.951 -5.936 5.279 654 HE3 TRP 76 HE3 TRP 76 -1.306 -4.471 1.316 655 HZ2 TRP 76 HZ2 TRP 76 3.235 -4.375 3.356 656 HZ3 TRP 76 HZ3 TRP 76 0.548 -3.260 0.233 657 HH2 TRP 76 HH2 TRP 76 2.782 -3.223 1.240 658 H ALA 77 H ALA 77 -4.030 -4.695 1.912 659 HA ALA 77 HA ALA 77 -2.485 -2.403 1.346 660 HB1 ALA 77 3HB ALA 77 -4.968 -3.430 -0.070 661 HB2 ALA 77 1HB ALA 77 -3.309 -3.948 -0.379 662 HB3 ALA 77 2HB ALA 77 -3.793 -2.288 -0.734 663 H LEU 78 H LEU 78 -5.799 -2.794 2.464 664 HA LEU 78 HA LEU 78 -6.725 -0.133 2.248 665 HB2 LEU 78 2HB LEU 78 -7.488 -2.397 4.146 666 HB3 LEU 78 3HB LEU 78 -8.346 -0.864 4.110 667 HG LEU 78 HG LEU 78 -8.130 -2.724 1.707 668 HD11 LEU 78 1HD1 LEU 78 -10.432 -3.413 2.154 669 HD12 LEU 78 2HD1 LEU 78 -10.463 -2.440 3.627 670 HD13 LEU 78 3HD1 LEU 78 -9.387 -3.833 3.511 671 HD21 LEU 78 3HD2 LEU 78 -8.496 -0.397 1.094 672 HD22 LEU 78 1HD2 LEU 78 -9.860 -0.283 2.211 673 HD23 LEU 78 2HD2 LEU 78 -9.956 -1.334 0.796 674 H GLU 79 H GLU 79 -5.223 -1.933 4.908 675 HA GLU 79 HA GLU 79 -5.326 0.137 6.835 676 HB2 GLU 79 2HB GLU 79 -3.579 -2.347 6.713 677 HB3 GLU 79 3HB GLU 79 -3.744 -1.310 8.126 678 HG2 GLU 79 2HG GLU 79 -6.128 -1.878 8.300 679 HG3 GLU 79 3HG GLU 79 -6.015 -2.863 6.845 680 H VAL 80 H VAL 80 -2.768 -0.879 4.552 681 HA VAL 80 HA VAL 80 -0.703 0.845 5.424 682 HB VAL 80 HB VAL 80 -1.278 -0.301 2.641 683 HG11 VAL 80 1HG1 VAL 80 1.266 1.075 3.592 684 HG12 VAL 80 2HG1 VAL 80 0.138 1.695 2.384 685 HG13 VAL 80 3HG1 VAL 80 1.066 0.233 2.053 686 HG21 VAL 80 3HG2 VAL 80 -0.809 -2.011 4.349 687 HG22 VAL 80 1HG2 VAL 80 0.692 -1.192 4.783 688 HG23 VAL 80 2HG2 VAL 80 0.512 -1.920 3.186 689 H ALA 81 H ALA 81 -3.191 1.262 2.897 690 HA ALA 81 HA ALA 81 -2.507 3.800 1.956 691 HB1 ALA 81 3HB ALA 81 -5.255 2.516 2.083 692 HB2 ALA 81 1HB ALA 81 -4.058 2.276 0.811 693 HB3 ALA 81 2HB ALA 81 -4.795 3.865 1.039 694 H ASN 82 H ASN 82 -4.744 2.882 4.562 695 HA ASN 82 HA ASN 82 -5.498 5.573 5.243 696 HB2 ASN 82 2HB ASN 82 -5.977 2.905 6.640 697 HB3 ASN 82 3HB ASN 82 -6.524 4.428 7.324 698 HD21 ASN 82 1HD2 ASN 82 -7.244 1.949 5.082 699 HD22 ASN 82 2HD2 ASN 82 -8.672 2.645 4.417 700 H LYS 83 H LYS 83 -2.928 3.394 6.232 701 HA LYS 83 HA LYS 83 -2.345 4.635 8.755 702 HB2 LYS 83 2HB LYS 83 -1.692 2.270 8.182 703 HB3 LYS 83 3HB LYS 83 -0.481 2.898 7.068 704 HG2 LYS 83 2HG LYS 83 0.519 2.228 9.212 705 HG3 LYS 83 3HG LYS 83 0.713 3.962 8.936 706 HD2 LYS 83 2HD LYS 83 -1.207 4.403 10.456 707 HD3 LYS 83 3HD LYS 83 -1.382 2.666 10.730 708 HE2 LYS 83 2HE LYS 83 -0.183 3.754 12.582 709 HE3 LYS 83 3HE LYS 83 0.852 2.594 11.757 710 HZ1 LYS 83 3HZ LYS 83 1.923 4.741 12.308 711 HZ2 LYS 83 1HZ LYS 83 0.888 5.511 11.224 712 HZ3 LYS 83 2HZ LYS 83 1.991 4.358 10.666 713 H ILE 84 H ILE 84 -1.032 4.931 5.479 714 HA ILE 84 HA ILE 84 0.963 6.882 5.942 715 HB ILE 84 HB ILE 84 -0.726 6.444 3.422 716 HG12 ILE 84 2HG1 ILE 84 2.047 5.323 4.078 717 HG13 ILE 84 3HG1 ILE 84 0.556 4.398 4.161 718 HG21 ILE 84 1HG2 ILE 84 1.117 7.571 2.207 719 HG22 ILE 84 2HG2 ILE 84 1.929 7.895 3.739 720 HG23 ILE 84 3HG2 ILE 84 0.369 8.644 3.393 721 HD11 ILE 84 3HD1 ILE 84 1.762 5.600 1.669 722 HD12 ILE 84 1HD1 ILE 84 0.245 4.697 1.746 723 HD13 ILE 84 2HD1 ILE 84 1.767 3.900 2.137 724 H ALA 85 H ALA 85 -2.507 7.093 5.208 725 HA ALA 85 HA ALA 85 -2.814 9.876 5.040 726 HB1 ALA 85 3HB ALA 85 -4.847 7.816 5.950 727 HB2 ALA 85 1HB ALA 85 -4.523 8.282 4.280 728 HB3 ALA 85 2HB ALA 85 -5.211 9.457 5.405 729 H ASN 86 H ASN 86 -2.575 7.758 7.835 730 HA ASN 86 HA ASN 86 -3.522 9.584 9.823 731 HB2 ASN 86 2HB ASN 86 -3.377 7.094 10.142 732 HB3 ASN 86 3HB ASN 86 -1.621 7.213 10.169 733 HD21 ASN 86 1HD2 ASN 86 -0.618 8.172 12.002 734 HD22 ASN 86 2HD2 ASN 86 -1.460 8.381 13.498 735 H GLU 87 H GLU 87 -0.417 9.010 8.299 736 HA GLU 87 HA GLU 87 1.188 10.352 10.264 737 HB2 GLU 87 2HB GLU 87 1.983 9.634 7.409 738 HB3 GLU 87 3HB GLU 87 3.060 9.952 8.762 739 HG2 GLU 87 2HG GLU 87 1.263 7.555 8.368 740 HG3 GLU 87 3HG GLU 87 3.020 7.583 8.346 741 H LEU 88 H LEU 88 -0.171 11.271 7.096 742 HA LEU 88 HA LEU 88 0.912 14.019 7.391 743 HB2 LEU 88 2HB LEU 88 1.428 13.847 4.839 744 HB3 LEU 88 3HB LEU 88 2.515 13.087 5.979 745 HG LEU 88 HG LEU 88 1.100 10.897 5.471 746 HD11 LEU 88 1HD1 LEU 88 0.248 10.728 3.202 747 HD12 LEU 88 2HD1 LEU 88 0.579 12.440 2.920 748 HD13 LEU 88 3HD1 LEU 88 -0.632 11.956 4.109 749 HD21 LEU 88 3HD2 LEU 88 2.664 10.285 3.706 750 HD22 LEU 88 1HD2 LEU 88 3.473 11.154 5.009 751 HD23 LEU 88 2HD2 LEU 88 3.112 11.982 3.494 752 H GLY 89 H GLY 89 -1.833 12.666 7.594 753 HA2 GLY 89 2HA GLY 89 -3.927 13.638 7.495 754 HA3 GLY 89 3HA GLY 89 -3.278 14.935 6.507 755 H ALA 90 H ALA 90 -2.800 14.387 4.217 756 HA ALA 90 HA ALA 90 -3.116 13.493 2.156 757 HB1 ALA 90 3HB ALA 90 -2.130 11.545 3.335 758 HB2 ALA 90 1HB ALA 90 -3.190 11.077 2.012 759 HB3 ALA 90 2HB ALA 90 -3.749 10.952 3.678 760 H LYS 91 H LYS 91 -5.057 11.306 1.451 761 HA LYS 91 HA LYS 91 -7.689 12.387 2.180 762 HB2 LYS 91 2HB LYS 91 -7.138 13.382 -0.024 763 HB3 LYS 91 3HB LYS 91 -6.842 11.777 -0.679 764 HG2 LYS 91 2HG LYS 91 -9.248 11.202 -0.227 765 HG3 LYS 91 3HG LYS 91 -9.509 12.877 0.277 766 HD2 LYS 91 2HD LYS 91 -8.849 13.651 -1.991 767 HD3 LYS 91 3HD LYS 91 -8.591 11.974 -2.483 768 HE2 LYS 91 2HE LYS 91 -10.968 11.480 -2.127 769 HE3 LYS 91 3HE LYS 91 -11.245 13.132 -1.564 770 HZ1 LYS 91 3HZ LYS 91 -10.485 13.878 -3.796 771 HZ2 LYS 91 1HZ LYS 91 -11.922 12.990 -3.812 772 HZ3 LYS 91 2HZ LYS 91 -10.474 12.264 -4.287 773 H GLN 92 H GLN 92 -7.096 9.801 -0.272 774 HA GLN 92 HA GLN 92 -7.747 7.642 1.493 775 HB2 GLN 92 2HB GLN 92 -9.930 9.148 1.327 776 HB3 GLN 92 3HB GLN 92 -10.106 8.444 -0.271 777 HG2 GLN 92 2HG GLN 92 -11.481 7.299 1.454 778 HG3 GLN 92 3HG GLN 92 -10.323 6.216 0.677 779 HE21 GLN 92 1HE2 GLN 92 -8.532 5.472 1.877 780 HE22 GLN 92 2HE2 GLN 92 -8.465 5.590 3.597 781 H SER 93 H SER 93 -9.118 5.923 -0.360 782 HA SER 93 HA SER 93 -7.302 5.734 -2.672 783 HB2 SER 93 2HB SER 93 -6.887 3.314 -2.047 784 HB3 SER 93 3HB SER 93 -6.188 4.471 -0.918 785 HG SER 93 HG SER 93 -8.556 2.938 -0.576 786 H THR 94 H THR 94 -8.234 4.806 -4.461 787 HA THR 94 HA THR 94 -10.971 3.748 -4.321 788 HB THR 94 HB THR 94 -10.478 5.424 -6.098 789 HG1 THR 94 HG1 THR 94 -11.307 4.160 -7.860 790 HG21 THR 94 3HG2 THR 94 -8.112 4.883 -6.598 791 HG22 THR 94 1HG2 THR 94 -9.108 4.900 -8.058 792 HG23 THR 94 2HG2 THR 94 -8.619 3.365 -7.339 793 H THR 95 H THR 95 -11.258 1.629 -4.107 794 HA THR 95 HA THR 95 -8.997 -0.226 -4.548 795 HB THR 95 HB THR 95 -10.177 -1.693 -2.885 796 HG1 THR 95 HG1 THR 95 -12.222 -1.220 -2.580 797 HG21 THR 95 3HG2 THR 95 -9.603 1.131 -1.907 798 HG22 THR 95 1HG2 THR 95 -8.430 -0.182 -2.054 799 HG23 THR 95 2HG2 THR 95 -9.738 -0.293 -0.878 800 H THR 96 H THR 96 -9.184 -1.195 -6.475 801 HA THR 96 HA THR 96 -11.814 -2.234 -7.372 802 HB THR 96 HB THR 96 -9.418 -1.366 -9.071 803 HG1 THR 96 HG1 THR 96 -11.178 0.146 -7.928 804 HG21 THR 96 3HG2 THR 96 -10.690 -3.189 -10.162 805 HG22 THR 96 1HG2 THR 96 -10.947 -1.659 -11.005 806 HG23 THR 96 2HG2 THR 96 -12.192 -2.292 -9.929 807 H THR 97 H THR 97 -11.849 -4.383 -6.952 808 HA THR 97 HA THR 97 -9.358 -5.955 -6.983 809 HB THR 97 HB THR 97 -10.547 -6.157 -4.904 810 HG1 THR 97 HG1 THR 97 -9.812 -8.142 -6.326 811 HG21 THR 97 3HG2 THR 97 -12.840 -5.546 -5.592 812 HG22 THR 97 1HG2 THR 97 -12.831 -7.058 -4.682 813 HG23 THR 97 2HG2 THR 97 -13.007 -7.087 -6.436 814 H ASP 98 H ASP 98 -8.915 -6.747 -8.926 815 HA ASP 98 HA ASP 98 -11.068 -7.802 -10.676 816 HB2 ASP 98 2HB ASP 98 -9.660 -5.871 -11.536 817 HB3 ASP 98 3HB ASP 98 -8.255 -6.923 -11.470 818 H GLY 99 H GLY 99 -10.687 -9.783 -11.756 819 HA2 GLY 99 2HA GLY 99 -9.679 -11.853 -10.118 820 HA3 GLY 99 3HA GLY 99 -10.263 -12.029 -11.764 821 H ASP 100 H ASP 100 -8.156 -9.999 -12.633 822 HA ASP 100 HA ASP 100 -5.968 -11.913 -13.024 823 HB2 ASP 100 2HB ASP 100 -6.899 -10.689 -14.995 824 HB3 ASP 100 3HB ASP 100 -6.428 -9.157 -14.271 825 H THR 101 H THR 101 -6.294 -8.446 -12.153 826 HA THR 101 HA THR 101 -3.977 -8.636 -10.320 827 HB THR 101 HB THR 101 -4.418 -6.419 -12.395 828 HG1 THR 101 HG1 THR 101 -3.431 -8.535 -13.012 829 HG21 THR 101 3HG2 THR 101 -2.197 -6.675 -10.318 830 HG22 THR 101 1HG2 THR 101 -3.471 -5.452 -10.310 831 HG23 THR 101 2HG2 THR 101 -2.267 -5.464 -11.600 832 H PHE 102 H PHE 102 -4.543 -7.950 -8.363 833 HA PHE 102 HA PHE 102 -6.880 -6.390 -7.753 834 HB2 PHE 102 2HB PHE 102 -6.010 -8.114 -6.217 835 HB3 PHE 102 3HB PHE 102 -4.482 -7.256 -6.072 836 HD1 PHE 102 HD2 PHE 102 -8.156 -6.709 -5.536 837 HD2 PHE 102 HD1 PHE 102 -4.189 -5.856 -4.181 838 HE1 PHE 102 HE2 PHE 102 -9.070 -5.475 -3.618 839 HE2 PHE 102 HE1 PHE 102 -5.116 -4.625 -2.263 840 HZ PHE 102 HZ PHE 102 -7.556 -4.434 -1.985 841 H GLU 103 H GLU 103 -6.945 -4.252 -8.191 842 HA GLU 103 HA GLU 103 -4.442 -2.672 -8.389 843 HB2 GLU 103 2HB GLU 103 -5.706 -3.277 -10.550 844 HB3 GLU 103 3HB GLU 103 -7.014 -2.252 -9.976 845 HG2 GLU 103 2HG GLU 103 -5.736 -0.956 -11.517 846 HG3 GLU 103 3HG GLU 103 -5.373 -0.333 -9.908 847 H VAL 104 H VAL 104 -4.355 -1.226 -6.754 848 HA VAL 104 HA VAL 104 -6.780 0.288 -5.937 849 HB VAL 104 HB VAL 104 -4.649 -0.870 -4.051 850 HG11 VAL 104 1HG1 VAL 104 -5.271 1.382 -3.277 851 HG12 VAL 104 2HG1 VAL 104 -5.941 0.168 -2.187 852 HG13 VAL 104 3HG1 VAL 104 -6.986 0.969 -3.363 853 HG21 VAL 104 3HG2 VAL 104 -6.523 -2.120 -3.029 854 HG22 VAL 104 1HG2 VAL 104 -6.306 -2.541 -4.730 855 HG23 VAL 104 2HG2 VAL 104 -7.621 -1.467 -4.247 856 H GLU 105 H GLU 105 -6.288 2.264 -6.796 857 HA GLU 105 HA GLU 105 -3.584 3.387 -6.427 858 HB2 GLU 105 2HB GLU 105 -4.654 3.681 -8.671 859 HB3 GLU 105 3HB GLU 105 -5.982 4.564 -7.919 860 HG2 GLU 105 2HG GLU 105 -4.467 6.351 -7.221 861 HG3 GLU 105 3HG GLU 105 -3.071 5.453 -7.810 862 H VAL 106 H VAL 106 -3.223 4.698 -4.767 863 HA VAL 106 HA VAL 106 -5.436 5.501 -2.997 864 HB VAL 106 HB VAL 106 -2.427 5.520 -2.414 865 HG11 VAL 106 1HG1 VAL 106 -3.770 6.952 -0.936 866 HG12 VAL 106 2HG1 VAL 106 -3.097 5.584 -0.053 867 HG13 VAL 106 3HG1 VAL 106 -4.798 5.581 -0.522 868 HG21 VAL 106 3HG2 VAL 106 -2.721 3.381 -1.211 869 HG22 VAL 106 1HG2 VAL 106 -3.104 3.203 -2.927 870 HG23 VAL 106 2HG2 VAL 106 -4.404 3.306 -1.736 871 H ILE 107 H ILE 107 -6.182 7.480 -3.541 872 HA ILE 107 HA ILE 107 -4.433 9.493 -4.759 873 HB ILE 107 HB ILE 107 -7.470 9.554 -4.377 874 HG12 ILE 107 2HG1 ILE 107 -7.419 9.417 -6.995 875 HG13 ILE 107 3HG1 ILE 107 -5.768 8.847 -6.808 876 HG21 ILE 107 1HG2 ILE 107 -7.448 11.554 -5.857 877 HG22 ILE 107 2HG2 ILE 107 -5.685 11.521 -5.869 878 HG23 ILE 107 3HG2 ILE 107 -6.550 11.833 -4.362 879 HD11 ILE 107 3HD1 ILE 107 -8.230 7.515 -5.695 880 HD12 ILE 107 1HD1 ILE 107 -6.573 6.924 -5.549 881 HD13 ILE 107 2HD1 ILE 107 -7.338 7.024 -7.135 882 H LEU 108 H LEU 108 -3.253 10.352 -3.146 883 HA LEU 108 HA LEU 108 -4.563 11.367 -0.702 884 HB2 LEU 108 2HB LEU 108 -1.600 10.994 -1.317 885 HB3 LEU 108 3HB LEU 108 -2.290 11.462 0.232 886 HG LEU 108 HG LEU 108 -2.569 8.763 -1.140 887 HD11 LEU 108 1HD1 LEU 108 -0.400 9.092 -0.090 888 HD12 LEU 108 2HD1 LEU 108 -1.339 7.888 0.788 889 HD13 LEU 108 3HD1 LEU 108 -1.172 9.521 1.440 890 HD21 LEU 108 3HD2 LEU 108 -3.920 9.725 1.408 891 HD22 LEU 108 1HD2 LEU 108 -3.827 8.037 0.903 892 HD23 LEU 108 2HD2 LEU 108 -4.695 9.204 -0.084 893 H GLU 109 H GLU 109 -5.352 13.330 -1.235 894 HA GLU 109 HA GLU 109 -3.840 15.201 -2.891 895 HB2 GLU 109 2HB GLU 109 -6.643 15.349 -1.713 896 HB3 GLU 109 3HB GLU 109 -5.912 16.616 -2.695 897 HG2 GLU 109 2HG GLU 109 -5.648 14.924 -4.558 898 HG3 GLU 109 3HG GLU 109 -6.560 13.785 -3.571 899 H LEU 110 H LEU 110 -2.173 15.945 -1.676 900 HA LEU 110 HA LEU 110 -2.757 17.407 0.840 901 HB2 LEU 110 2HB LEU 110 -0.061 16.613 -0.367 902 HB3 LEU 110 3HB LEU 110 -0.287 17.522 1.117 903 HG LEU 110 HG LEU 110 -1.577 15.416 1.985 904 HD11 LEU 110 1HD1 LEU 110 -0.915 13.266 1.040 905 HD12 LEU 110 2HD1 LEU 110 -0.039 14.082 -0.259 906 HD13 LEU 110 3HD1 LEU 110 -1.794 14.231 -0.146 907 HD21 LEU 110 3HD2 LEU 110 1.413 15.272 1.576 908 HD22 LEU 110 1HD2 LEU 110 0.479 14.405 2.798 909 HD23 LEU 110 2HD2 LEU 110 0.578 16.163 2.852 910 H GLU 111 H GLU 111 -3.387 19.437 0.312 911 HA GLU 111 HA GLU 111 -2.273 20.999 -1.822 912 HB2 GLU 111 2HB GLU 111 -3.771 21.905 0.688 913 HB3 GLU 111 3HB GLU 111 -3.385 22.934 -0.689 914 HG2 GLU 111 2HG GLU 111 -4.831 21.538 -2.139 915 HG3 GLU 111 3HG GLU 111 -5.214 20.511 -0.760 916 H HIS 112 H HIS 112 -2.041 21.393 1.732 917 HA HIS 112 HA HIS 112 0.781 21.003 1.828 918 HB2 HIS 112 2HB HIS 112 -0.251 23.842 2.078 919 HB3 HIS 112 3HB HIS 112 1.059 23.351 3.145 920 HD1 HIS 112 HD1 HIS 112 0.857 25.303 0.397 921 HD2 HIS 112 HD2 HIS 112 3.035 21.846 1.109 922 HE1 HIS 112 HE1 HIS 112 2.772 25.362 -1.213 923 HE2 HIS 112 HE2 HIS 112 4.006 23.212 -0.839 924 H HIS 113 H HIS 113 -1.409 22.941 3.934 925 HA HIS 113 HA HIS 113 -0.457 21.501 6.246 926 HB2 HIS 113 2HB HIS 113 -1.881 23.032 7.557 927 HB3 HIS 113 3HB HIS 113 -0.867 23.908 6.426 928 HD1 HIS 113 HD1 HIS 113 -2.051 25.663 5.081 929 HD2 HIS 113 HD2 HIS 113 -4.697 22.817 6.550 930 HE1 HIS 113 HE1 HIS 113 -4.348 26.469 4.460 931 HE2 HIS 113 HE2 HIS 113 -5.919 24.773 5.424 932 H HIS 114 H HIS 114 -1.629 20.233 7.666 933 HA HIS 114 HA HIS 114 -4.455 19.642 7.118 934 HB2 HIS 114 2HB HIS 114 -2.249 17.561 7.405 935 HB3 HIS 114 3HB HIS 114 -3.914 17.176 7.837 936 HD1 HIS 114 HD1 HIS 114 -1.661 17.059 5.032 937 HD2 HIS 114 HD2 HIS 114 -5.744 17.665 5.517 938 HE1 HIS 114 HE1 HIS 114 -2.695 16.580 2.793 939 HE2 HIS 114 HE2 HIS 114 -5.156 16.980 3.114 940 H HIS 115 H HIS 115 -5.676 19.371 8.924 941 HA HIS 115 HA HIS 115 -4.642 20.239 11.458 942 HB2 HIS 115 2HB HIS 115 -7.396 19.203 10.658 943 HB3 HIS 115 3HB HIS 115 -7.006 19.825 12.260 944 HD1 HIS 115 HD1 HIS 115 -8.993 21.014 9.885 945 HD2 HIS 115 HD2 HIS 115 -5.425 22.582 11.314 946 HE1 HIS 115 HE1 HIS 115 -9.085 23.470 9.373 947 HE2 HIS 115 HE2 HIS 115 -6.979 24.407 10.373 948 H HIS 116 H HIS 116 -3.036 18.653 11.784 949 HA HIS 116 HA HIS 116 -3.718 15.887 12.254 950 HB2 HIS 116 2HB HIS 116 -1.378 15.552 12.809 951 HB3 HIS 116 3HB HIS 116 -1.452 16.587 11.388 952 HD1 HIS 116 HD1 HIS 116 -0.680 16.710 15.093 953 HD2 HIS 116 HD2 HIS 116 -0.232 19.076 11.693 954 HE1 HIS 116 HE1 HIS 116 0.782 18.630 15.788 955 HE2 HIS 116 HE2 HIS 116 0.874 20.135 13.778 956 H HIS 117 H HIS 117 -4.014 14.908 14.219 957 HA HIS 117 HA HIS 117 -4.209 16.600 16.630 958 HB2 HIS 117 2HB HIS 117 -5.158 13.753 16.047 959 HB3 HIS 117 3HB HIS 117 -5.261 14.506 17.637 960 HD1 HIS 117 HD1 HIS 117 -6.907 14.427 14.305 961 HD2 HIS 117 HD2 HIS 117 -7.189 16.630 17.820 962 HE1 HIS 117 HE1 HIS 117 -9.069 15.691 14.139 963 HE2 HIS 117 HE2 HIS 117 -9.317 16.805 16.377 Start of MODEL 16 1 H1 MET 1 1H MET 1 12.064 -15.623 0.722 2 H2 MET 1 2H MET 1 10.409 -15.944 0.632 3 H3 MET 1 3H MET 1 11.492 -17.195 0.971 4 HA MET 1 HA MET 1 12.078 -16.218 3.050 5 HB2 MET 1 2HB MET 1 10.045 -14.074 2.297 6 HB3 MET 1 3HB MET 1 10.781 -14.223 3.890 7 HG2 MET 1 2HG MET 1 13.006 -13.844 2.864 8 HG3 MET 1 3HG MET 1 12.228 -13.627 1.298 9 HE1 MET 1 3HE MET 1 10.168 -10.299 1.926 10 HE2 MET 1 1HE MET 1 9.558 -11.939 2.140 11 HE3 MET 1 2HE MET 1 10.562 -11.544 0.742 12 H ALA 2 H ALA 2 8.643 -15.750 2.066 13 HA ALA 2 HA ALA 2 7.781 -18.207 3.352 14 HB1 ALA 2 3HB ALA 2 7.942 -16.644 5.278 15 HB2 ALA 2 1HB ALA 2 6.277 -17.152 4.985 16 HB3 ALA 2 2HB ALA 2 6.815 -15.548 4.478 17 H GLY 3 H GLY 3 7.402 -15.825 0.984 18 HA2 GLY 3 2HA GLY 3 4.938 -16.994 -0.019 19 HA3 GLY 3 3HA GLY 3 4.785 -15.331 0.531 20 H LYS 4 H LYS 4 7.072 -17.256 -1.412 21 HA LYS 4 HA LYS 4 7.879 -15.063 -3.069 22 HB2 LYS 4 2HB LYS 4 9.097 -16.809 -4.382 23 HB3 LYS 4 3HB LYS 4 9.420 -16.869 -2.656 24 HG2 LYS 4 2HG LYS 4 7.783 -18.763 -2.453 25 HG3 LYS 4 3HG LYS 4 7.614 -18.760 -4.210 26 HD2 LYS 4 2HD LYS 4 9.980 -19.352 -4.478 27 HD3 LYS 4 3HD LYS 4 10.247 -19.216 -2.736 28 HE2 LYS 4 2HE LYS 4 8.697 -21.107 -2.359 29 HE3 LYS 4 3HE LYS 4 8.447 -21.252 -4.101 30 HZ1 LYS 4 3HZ LYS 4 10.073 -22.836 -3.308 31 HZ2 LYS 4 1HZ LYS 4 11.037 -21.593 -2.690 32 HZ3 LYS 4 2HZ LYS 4 10.800 -21.730 -4.356 33 H GLU 5 H GLU 5 5.421 -17.500 -3.323 34 HA GLU 5 HA GLU 5 4.743 -16.915 -6.087 35 HB2 GLU 5 2HB GLU 5 2.882 -18.516 -5.801 36 HB3 GLU 5 3HB GLU 5 4.421 -19.221 -5.351 37 HG2 GLU 5 2HG GLU 5 2.486 -18.122 -3.304 38 HG3 GLU 5 3HG GLU 5 2.397 -19.779 -3.889 39 H LEU 6 H LEU 6 4.341 -15.159 -3.354 40 HA LEU 6 HA LEU 6 2.088 -13.694 -4.619 41 HB2 LEU 6 2HB LEU 6 2.915 -13.616 -1.676 42 HB3 LEU 6 3HB LEU 6 1.635 -12.671 -2.413 43 HG LEU 6 HG LEU 6 0.557 -15.027 -2.981 44 HD11 LEU 6 1HD1 LEU 6 2.347 -15.829 -0.667 45 HD12 LEU 6 2HD1 LEU 6 2.452 -16.424 -2.324 46 HD13 LEU 6 3HD1 LEU 6 1.034 -16.795 -1.349 47 HD21 LEU 6 3HD2 LEU 6 -0.652 -15.042 -0.850 48 HD22 LEU 6 1HD2 LEU 6 -0.479 -13.410 -1.495 49 HD23 LEU 6 2HD2 LEU 6 0.546 -13.943 -0.160 50 H ARG 7 H ARG 7 3.274 -12.428 -5.951 51 HA ARG 7 HA ARG 7 5.702 -11.055 -4.994 52 HB2 ARG 7 2HB ARG 7 4.591 -11.385 -7.819 53 HB3 ARG 7 3HB ARG 7 6.126 -10.619 -7.411 54 HG2 ARG 7 2HG ARG 7 7.046 -12.733 -6.644 55 HG3 ARG 7 3HG ARG 7 5.480 -13.528 -6.811 56 HD2 ARG 7 2HD ARG 7 7.018 -12.339 -9.146 57 HD3 ARG 7 3HD ARG 7 7.124 -14.031 -8.648 58 HE ARG 7 HE ARG 7 4.454 -12.992 -9.228 59 HH11 ARG 7 1HH1 ARG 7 7.200 -14.856 -10.419 60 HH12 ARG 7 2HH1 ARG 7 6.283 -15.632 -11.669 61 HH21 ARG 7 1HH2 ARG 7 3.270 -14.068 -10.852 62 HH22 ARG 7 2HH2 ARG 7 4.060 -15.181 -11.910 63 H VAL 8 H VAL 8 5.441 -9.038 -4.287 64 HA VAL 8 HA VAL 8 3.054 -7.492 -5.116 65 HB VAL 8 HB VAL 8 4.586 -6.843 -2.593 66 HG11 VAL 8 1HG1 VAL 8 2.380 -6.049 -1.810 67 HG12 VAL 8 2HG1 VAL 8 1.653 -6.581 -3.329 68 HG13 VAL 8 3HG1 VAL 8 2.851 -5.285 -3.331 69 HG21 VAL 8 3HG2 VAL 8 2.531 -9.066 -2.746 70 HG22 VAL 8 1HG2 VAL 8 3.203 -8.392 -1.260 71 HG23 VAL 8 2HG2 VAL 8 4.246 -9.248 -2.391 72 H GLU 9 H GLU 9 3.406 -5.668 -6.145 73 HA GLU 9 HA GLU 9 6.064 -4.361 -6.155 74 HB2 GLU 9 2HB GLU 9 3.940 -4.512 -8.355 75 HB3 GLU 9 3HB GLU 9 5.429 -3.575 -8.465 76 HG2 GLU 9 2HG GLU 9 6.777 -5.587 -8.406 77 HG3 GLU 9 3HG GLU 9 5.362 -6.575 -8.084 78 H ILE 10 H ILE 10 5.692 -2.777 -4.549 79 HA ILE 10 HA ILE 10 3.276 -1.115 -4.788 80 HB ILE 10 HB ILE 10 5.512 -0.945 -2.713 81 HG12 ILE 10 2HG1 ILE 10 4.234 -3.057 -2.495 82 HG13 ILE 10 3HG1 ILE 10 3.864 -1.991 -1.147 83 HG21 ILE 10 1HG2 ILE 10 2.820 0.478 -2.799 84 HG22 ILE 10 2HG2 ILE 10 4.398 1.230 -3.033 85 HG23 ILE 10 3HG2 ILE 10 3.979 0.547 -1.466 86 HD11 ILE 10 3HD1 ILE 10 1.905 -3.131 -1.935 87 HD12 ILE 10 1HD1 ILE 10 2.138 -2.497 -3.560 88 HD13 ILE 10 2HD1 ILE 10 1.742 -1.401 -2.230 89 H LYS 11 H LYS 11 3.347 0.510 -6.126 90 HA LYS 11 HA LYS 11 5.896 1.572 -7.142 91 HB2 LYS 11 2HB LYS 11 4.072 0.380 -8.594 92 HB3 LYS 11 3HB LYS 11 3.124 1.841 -8.412 93 HG2 LYS 11 2HG LYS 11 5.918 1.838 -9.590 94 HG3 LYS 11 3HG LYS 11 4.472 1.583 -10.569 95 HD2 LYS 11 2HD LYS 11 3.632 3.794 -10.004 96 HD3 LYS 11 3HD LYS 11 4.942 4.046 -8.850 97 HE2 LYS 11 2HE LYS 11 6.572 3.999 -10.713 98 HE3 LYS 11 3HE LYS 11 5.246 3.785 -11.861 99 HZ1 LYS 11 3HZ LYS 11 4.342 5.890 -11.189 100 HZ2 LYS 11 1HZ LYS 11 5.939 6.096 -11.683 101 HZ3 LYS 11 2HZ LYS 11 5.556 6.107 -10.042 102 H ILE 12 H ILE 12 6.361 3.717 -6.832 103 HA ILE 12 HA ILE 12 4.524 5.371 -5.228 104 HB ILE 12 HB ILE 12 7.494 5.730 -5.876 105 HG12 ILE 12 2HG1 ILE 12 7.187 3.812 -4.378 106 HG13 ILE 12 3HG1 ILE 12 7.911 5.139 -3.482 107 HG21 ILE 12 1HG2 ILE 12 5.783 7.338 -3.952 108 HG22 ILE 12 2HG2 ILE 12 6.421 7.904 -5.495 109 HG23 ILE 12 3HG2 ILE 12 7.528 7.506 -4.183 110 HD11 ILE 12 3HD1 ILE 12 5.713 5.630 -2.475 111 HD12 ILE 12 1HD1 ILE 12 6.270 3.986 -2.152 112 HD13 ILE 12 2HD1 ILE 12 5.025 4.265 -3.365 113 H ASP 13 H ASP 13 3.452 7.057 -6.204 114 HA ASP 13 HA ASP 13 4.721 8.378 -8.546 115 HB2 ASP 13 2HB ASP 13 1.736 8.070 -7.979 116 HB3 ASP 13 3HB ASP 13 2.388 9.150 -9.197 117 H CYS 14 H CYS 14 5.799 9.922 -7.463 118 HA CYS 14 HA CYS 14 4.366 11.669 -5.565 119 HB2 CYS 14 2HB CYS 14 6.453 10.672 -4.710 120 HB3 CYS 14 3HB CYS 14 7.362 11.386 -6.040 121 HG CYS 14 HG CYS 14 5.648 13.673 -4.326 122 H GLY 15 H GLY 15 7.080 12.306 -7.830 123 HA2 GLY 15 2HA GLY 15 5.803 14.865 -8.600 124 HA3 GLY 15 3HA GLY 15 7.502 14.455 -8.768 125 H ASN 16 H ASN 16 6.503 11.761 -9.792 126 HA ASN 16 HA ASN 16 6.422 10.665 -11.712 127 HB2 ASN 16 2HB ASN 16 4.768 13.036 -12.654 128 HB3 ASN 16 3HB ASN 16 5.024 11.596 -13.630 129 HD21 ASN 16 1HD2 ASN 16 4.874 9.676 -11.457 130 HD22 ASN 16 2HD2 ASN 16 3.221 9.632 -10.968 131 H ASP 17 H ASP 17 8.722 11.939 -11.134 132 HA ASP 17 HA ASP 17 9.853 12.619 -13.798 133 HB2 ASP 17 2HB ASP 17 10.586 13.791 -11.058 134 HB3 ASP 17 3HB ASP 17 11.595 13.999 -12.487 135 H ASP 18 H ASP 18 9.632 9.973 -12.744 136 HA ASP 18 HA ASP 18 10.837 8.119 -13.227 137 HB2 ASP 18 2HB ASP 18 12.169 9.277 -14.864 138 HB3 ASP 18 3HB ASP 18 13.117 10.077 -13.621 139 H LYS 19 H LYS 19 12.275 10.224 -10.767 140 HA LYS 19 HA LYS 19 14.100 8.402 -9.627 141 HB2 LYS 19 2HB LYS 19 14.064 10.936 -9.361 142 HB3 LYS 19 3HB LYS 19 12.760 10.734 -8.193 143 HG2 LYS 19 2HG LYS 19 14.323 9.291 -6.817 144 HG3 LYS 19 3HG LYS 19 15.611 9.712 -7.950 145 HD2 LYS 19 2HD LYS 19 15.183 12.154 -7.380 146 HD3 LYS 19 3HD LYS 19 14.081 11.595 -6.116 147 HE2 LYS 19 2HE LYS 19 17.071 11.088 -6.296 148 HE3 LYS 19 3HE LYS 19 16.225 12.074 -5.106 149 HZ1 LYS 19 3HZ LYS 19 15.133 10.031 -4.309 150 HZ2 LYS 19 1HZ LYS 19 16.815 9.967 -4.149 151 HZ3 LYS 19 2HZ LYS 19 16.045 9.120 -5.393 152 H GLU 20 H GLU 20 10.702 8.934 -9.018 153 HA GLU 20 HA GLU 20 10.237 7.417 -6.711 154 HB2 GLU 20 2HB GLU 20 7.909 7.171 -7.644 155 HB3 GLU 20 3HB GLU 20 8.508 8.828 -7.623 156 HG2 GLU 20 2HG GLU 20 9.138 8.527 -10.059 157 HG3 GLU 20 3HG GLU 20 8.271 6.988 -10.011 158 H THR 21 H THR 21 9.271 5.114 -6.604 159 HA THR 21 HA THR 21 10.889 3.373 -8.352 160 HB THR 21 HB THR 21 12.307 4.148 -6.398 161 HG1 THR 21 HG1 THR 21 12.878 2.210 -7.277 162 HG21 THR 21 3HG2 THR 21 10.567 4.286 -4.632 163 HG22 THR 21 1HG2 THR 21 11.896 3.225 -4.146 164 HG23 THR 21 2HG2 THR 21 10.368 2.534 -4.693 165 H THR 22 H THR 22 10.401 1.123 -8.121 166 HA THR 22 HA THR 22 7.938 0.463 -6.640 167 HB THR 22 HB THR 22 8.857 -1.216 -9.013 168 HG1 THR 22 HG1 THR 22 8.631 1.144 -9.603 169 HG21 THR 22 3HG2 THR 22 6.142 -0.522 -7.852 170 HG22 THR 22 1HG2 THR 22 7.010 -2.044 -7.600 171 HG23 THR 22 2HG2 THR 22 6.429 -1.611 -9.210 172 H TYR 23 H TYR 23 8.493 -0.670 -4.888 173 HA TYR 23 HA TYR 23 11.042 -2.166 -4.882 174 HB2 TYR 23 2HB TYR 23 10.804 -1.970 -2.307 175 HB3 TYR 23 3HB TYR 23 11.264 -0.535 -3.198 176 HD1 TYR 23 HD2 TYR 23 9.721 1.378 -3.390 177 HD2 TYR 23 HD1 TYR 23 8.616 -2.069 -1.107 178 HE1 TYR 23 HE2 TYR 23 7.956 2.681 -2.280 179 HE2 TYR 23 HE1 TYR 23 6.855 -0.754 0.008 180 HH TYR 23 HH TYR 23 6.357 1.658 0.503 181 H ASP 24 H ASP 24 11.141 -4.217 -4.078 182 HA ASP 24 HA ASP 24 8.729 -5.772 -4.526 183 HB2 ASP 24 2HB ASP 24 11.622 -6.663 -4.120 184 HB3 ASP 24 3HB ASP 24 10.284 -7.741 -4.512 185 H LEU 25 H LEU 25 7.736 -6.986 -3.086 186 HA LEU 25 HA LEU 25 8.858 -7.705 -0.515 187 HB2 LEU 25 2HB LEU 25 6.909 -6.887 0.789 188 HB3 LEU 25 3HB LEU 25 7.883 -5.584 0.145 189 HG LEU 25 HG LEU 25 5.302 -6.460 -1.194 190 HD11 LEU 25 1HD1 LEU 25 4.726 -5.843 1.101 191 HD12 LEU 25 2HD1 LEU 25 4.135 -4.641 -0.043 192 HD13 LEU 25 3HD1 LEU 25 5.579 -4.307 0.917 193 HD21 LEU 25 3HD2 LEU 25 6.815 -3.834 -1.318 194 HD22 LEU 25 1HD2 LEU 25 5.329 -4.231 -2.185 195 HD23 LEU 25 2HD2 LEU 25 6.821 -5.084 -2.566 196 H TYR 26 H TYR 26 7.315 -9.252 0.630 197 HA TYR 26 HA TYR 26 5.620 -10.809 -1.205 198 HB2 TYR 26 2HB TYR 26 8.035 -11.978 0.276 199 HB3 TYR 26 3HB TYR 26 6.870 -12.915 -0.646 200 HD1 TYR 26 HD1 TYR 26 6.927 -12.891 -3.136 201 HD2 TYR 26 HD2 TYR 26 9.778 -10.651 -0.865 202 HE1 TYR 26 HE1 TYR 26 8.337 -12.642 -5.135 203 HE2 TYR 26 HE2 TYR 26 11.180 -10.400 -2.869 204 HH TYR 26 HH TYR 26 10.103 -11.057 -5.975 205 H PHE 27 H PHE 27 3.968 -11.892 -0.121 206 HA PHE 27 HA PHE 27 3.941 -11.783 2.854 207 HB2 PHE 27 2HB PHE 27 1.378 -11.908 1.220 208 HB3 PHE 27 3HB PHE 27 1.601 -11.424 2.894 209 HD1 PHE 27 HD1 PHE 27 3.532 -9.260 2.835 210 HD2 PHE 27 HD2 PHE 27 0.399 -10.174 0.056 211 HE1 PHE 27 HE1 PHE 27 3.394 -6.898 2.170 212 HE2 PHE 27 HE2 PHE 27 0.287 -7.812 -0.599 213 HZ PHE 27 HZ PHE 27 1.786 -6.181 0.461 214 H SER 28 H SER 28 3.435 -13.675 3.894 215 HA SER 28 HA SER 28 2.367 -15.986 2.411 216 HB2 SER 28 2HB SER 28 4.257 -16.312 4.071 217 HB3 SER 28 3HB SER 28 3.158 -15.828 5.365 218 HG SER 28 HG SER 28 3.212 -18.162 3.813 219 H LYS 29 H LYS 29 1.289 -13.228 3.864 220 HA LYS 29 HA LYS 29 -0.679 -12.311 4.340 221 HB2 LYS 29 2HB LYS 29 -1.868 -14.903 3.304 222 HB3 LYS 29 3HB LYS 29 -2.828 -13.491 3.714 223 HG2 LYS 29 2HG LYS 29 -0.625 -13.262 1.642 224 HG3 LYS 29 3HG LYS 29 -2.174 -13.974 1.217 225 HD2 LYS 29 2HD LYS 29 -2.128 -11.621 0.565 226 HD3 LYS 29 3HD LYS 29 -3.333 -11.874 1.825 227 HE2 LYS 29 2HE LYS 29 -1.884 -10.857 3.479 228 HE3 LYS 29 3HE LYS 29 -0.546 -10.799 2.336 229 HZ1 LYS 29 3HZ LYS 29 -3.030 -9.184 2.298 230 HZ2 LYS 29 1HZ LYS 29 -2.001 -9.295 0.961 231 HZ3 LYS 29 2HZ LYS 29 -1.436 -8.636 2.411 232 H ALA 30 H ALA 30 0.674 -12.958 6.356 233 HA ALA 30 HA ALA 30 -1.261 -13.609 8.466 234 HB1 ALA 30 3HB ALA 30 0.361 -15.122 9.564 235 HB2 ALA 30 1HB ALA 30 1.476 -14.921 8.208 236 HB3 ALA 30 2HB ALA 30 -0.079 -15.721 7.963 237 H GLU 31 H GLU 31 1.480 -13.563 10.144 238 HA GLU 31 HA GLU 31 1.208 -10.915 11.089 239 HB2 GLU 31 2HB GLU 31 3.350 -13.022 11.590 240 HB3 GLU 31 3HB GLU 31 3.375 -11.451 12.377 241 HG2 GLU 31 2HG GLU 31 2.460 -13.091 13.890 242 HG3 GLU 31 3HG GLU 31 1.200 -11.948 13.435 243 H GLU 32 H GLU 32 3.538 -12.406 8.841 244 HA GLU 32 HA GLU 32 5.363 -10.225 8.755 245 HB2 GLU 32 2HB GLU 32 6.505 -11.354 7.007 246 HB3 GLU 32 3HB GLU 32 5.857 -12.634 8.013 247 HG2 GLU 32 2HG GLU 32 4.878 -11.746 5.296 248 HG3 GLU 32 3HG GLU 32 5.661 -13.266 5.705 249 H ALA 33 H ALA 33 2.374 -10.917 7.080 250 HA ALA 33 HA ALA 33 2.487 -9.083 4.955 251 HB1 ALA 33 3HB ALA 33 0.025 -9.229 4.948 252 HB2 ALA 33 1HB ALA 33 0.050 -9.970 6.553 253 HB3 ALA 33 2HB ALA 33 0.745 -10.827 5.177 254 H LYS 34 H LYS 34 1.443 -8.710 8.323 255 HA LYS 34 HA LYS 34 0.749 -5.949 8.216 256 HB2 LYS 34 2HB LYS 34 1.549 -7.667 10.603 257 HB3 LYS 34 3HB LYS 34 0.789 -6.080 10.705 258 HG2 LYS 34 2HG LYS 34 -1.222 -6.984 9.557 259 HG3 LYS 34 3HG LYS 34 -0.463 -8.582 9.513 260 HD2 LYS 34 2HD LYS 34 -0.399 -8.625 11.987 261 HD3 LYS 34 3HD LYS 34 -1.118 -7.014 12.044 262 HE2 LYS 34 2HE LYS 34 -3.153 -7.926 10.931 263 HE3 LYS 34 3HE LYS 34 -2.428 -9.536 10.984 264 HZ1 LYS 34 3HZ LYS 34 -3.079 -7.841 13.337 265 HZ2 LYS 34 1HZ LYS 34 -2.350 -9.363 13.406 266 HZ3 LYS 34 2HZ LYS 34 -3.933 -9.203 12.832 267 H GLU 35 H GLU 35 3.768 -7.664 8.752 268 HA GLU 35 HA GLU 35 5.295 -5.498 9.796 269 HB2 GLU 35 2HB GLU 35 5.968 -7.824 10.128 270 HB3 GLU 35 3HB GLU 35 6.124 -8.069 8.396 271 HG2 GLU 35 2HG GLU 35 8.306 -7.858 9.590 272 HG3 GLU 35 3HG GLU 35 8.083 -6.671 8.302 273 H LEU 36 H LEU 36 4.880 -6.824 6.488 274 HA LEU 36 HA LEU 36 6.452 -4.860 5.154 275 HB2 LEU 36 2HB LEU 36 4.351 -6.819 4.202 276 HB3 LEU 36 3HB LEU 36 4.943 -5.584 3.113 277 HG LEU 36 HG LEU 36 6.209 -7.454 2.540 278 HD11 LEU 36 1HD1 LEU 36 8.019 -5.983 4.470 279 HD12 LEU 36 2HD1 LEU 36 7.646 -5.509 2.810 280 HD13 LEU 36 3HD1 LEU 36 8.517 -7.006 3.119 281 HD21 LEU 36 3HD2 LEU 36 5.601 -8.951 4.356 282 HD22 LEU 36 1HD2 LEU 36 6.705 -8.119 5.455 283 HD23 LEU 36 2HD2 LEU 36 7.336 -9.003 4.061 284 H LEU 37 H LEU 37 3.076 -4.979 6.137 285 HA LEU 37 HA LEU 37 1.999 -2.768 4.828 286 HB2 LEU 37 2HB LEU 37 0.619 -4.281 6.070 287 HB3 LEU 37 3HB LEU 37 1.479 -3.989 7.554 288 HG LEU 37 HG LEU 37 -0.096 -1.691 6.363 289 HD11 LEU 37 1HD1 LEU 37 -1.670 -3.561 6.218 290 HD12 LEU 37 2HD1 LEU 37 -2.143 -2.460 7.507 291 HD13 LEU 37 3HD1 LEU 37 -1.358 -3.988 7.905 292 HD21 LEU 37 3HD2 LEU 37 1.262 -1.280 8.402 293 HD22 LEU 37 1HD2 LEU 37 0.396 -2.568 9.246 294 HD23 LEU 37 2HD2 LEU 37 -0.458 -1.104 8.744 295 H LYS 38 H LYS 38 3.727 -2.923 7.924 296 HA LYS 38 HA LYS 38 3.764 -0.214 8.641 297 HB2 LYS 38 2HB LYS 38 5.774 -2.438 9.192 298 HB3 LYS 38 3HB LYS 38 5.785 -0.882 10.017 299 HG2 LYS 38 2HG LYS 38 3.774 -1.342 11.181 300 HG3 LYS 38 3HG LYS 38 3.331 -2.649 10.085 301 HD2 LYS 38 2HD LYS 38 4.008 -3.538 12.267 302 HD3 LYS 38 3HD LYS 38 5.117 -4.068 11.011 303 HE2 LYS 38 2HE LYS 38 5.746 -1.692 12.782 304 HE3 LYS 38 3HE LYS 38 6.098 -3.344 13.282 305 HZ1 LYS 38 3HZ LYS 38 8.024 -2.323 12.296 306 HZ2 LYS 38 1HZ LYS 38 7.192 -2.005 10.863 307 HZ3 LYS 38 2HZ LYS 38 7.506 -3.604 11.322 308 H LYS 39 H LYS 39 6.154 -2.162 6.854 309 HA LYS 39 HA LYS 39 8.099 -0.191 6.484 310 HB2 LYS 39 2HB LYS 39 7.520 -2.674 4.813 311 HB3 LYS 39 3HB LYS 39 8.997 -1.714 4.703 312 HG2 LYS 39 2HG LYS 39 9.562 -2.244 7.023 313 HG3 LYS 39 3HG LYS 39 8.050 -3.141 7.209 314 HD2 LYS 39 2HD LYS 39 8.804 -4.753 5.479 315 HD3 LYS 39 3HD LYS 39 10.317 -3.859 5.304 316 HE2 LYS 39 2HE LYS 39 10.887 -4.366 7.642 317 HE3 LYS 39 3HE LYS 39 9.360 -5.228 7.833 318 HZ1 LYS 39 3HZ LYS 39 10.090 -6.804 6.147 319 HZ2 LYS 39 1HZ LYS 39 11.171 -6.747 7.445 320 HZ3 LYS 39 2HZ LYS 39 11.558 -5.985 5.987 321 H VAL 40 H VAL 40 5.446 -1.183 4.283 322 HA VAL 40 HA VAL 40 6.067 0.574 2.145 323 HB VAL 40 HB VAL 40 3.439 -0.784 2.915 324 HG11 VAL 40 1HG1 VAL 40 4.059 0.713 0.342 325 HG12 VAL 40 2HG1 VAL 40 2.866 1.177 1.556 326 HG13 VAL 40 3HG1 VAL 40 2.636 -0.297 0.614 327 HG21 VAL 40 3HG2 VAL 40 3.992 -2.331 1.065 328 HG22 VAL 40 1HG2 VAL 40 5.255 -2.319 2.301 329 HG23 VAL 40 2HG2 VAL 40 5.497 -1.451 0.784 330 H ALA 41 H ALA 41 3.951 0.913 4.984 331 HA ALA 41 HA ALA 41 2.787 3.407 4.309 332 HB1 ALA 41 3HB ALA 41 1.818 1.917 6.008 333 HB2 ALA 41 1HB ALA 41 2.125 3.522 6.677 334 HB3 ALA 41 2HB ALA 41 3.214 2.184 7.054 335 H GLU 42 H GLU 42 5.790 2.518 5.947 336 HA GLU 42 HA GLU 42 6.589 5.150 6.776 337 HB2 GLU 42 2HB GLU 42 8.107 2.520 6.520 338 HB3 GLU 42 3HB GLU 42 8.853 3.993 7.137 339 HG2 GLU 42 2HG GLU 42 7.297 4.064 9.004 340 HG3 GLU 42 3HG GLU 42 6.401 2.694 8.347 341 H LYS 43 H LYS 43 7.382 3.082 3.953 342 HA LYS 43 HA LYS 43 9.479 4.846 3.035 343 HB2 LYS 43 2HB LYS 43 8.218 2.471 1.573 344 HB3 LYS 43 3HB LYS 43 9.671 3.325 1.068 345 HG2 LYS 43 2HG LYS 43 9.312 1.585 3.513 346 HG3 LYS 43 3HG LYS 43 10.363 1.287 2.136 347 HD2 LYS 43 2HD LYS 43 11.828 3.144 2.813 348 HD3 LYS 43 3HD LYS 43 10.718 3.579 4.115 349 HE2 LYS 43 2HE LYS 43 11.152 1.339 5.161 350 HE3 LYS 43 3HE LYS 43 12.367 1.031 3.914 351 HZ1 LYS 43 3HZ LYS 43 12.427 3.282 5.861 352 HZ2 LYS 43 1HZ LYS 43 13.605 2.967 4.688 353 HZ3 LYS 43 2HZ LYS 43 13.360 1.877 5.958 354 H ALA 44 H ALA 44 6.074 4.369 2.238 355 HA ALA 44 HA ALA 44 5.982 6.174 0.011 356 HB1 ALA 44 3HB ALA 44 3.532 6.083 0.331 357 HB2 ALA 44 1HB ALA 44 3.759 5.240 1.868 358 HB3 ALA 44 2HB ALA 44 4.246 4.469 0.357 359 H ALA 45 H ALA 45 5.677 6.452 3.518 360 HA ALA 45 HA ALA 45 4.733 9.114 3.718 361 HB1 ALA 45 3HB ALA 45 4.567 7.515 5.564 362 HB2 ALA 45 1HB ALA 45 5.424 8.972 6.074 363 HB3 ALA 45 2HB ALA 45 6.323 7.491 5.729 364 H ASP 46 H ASP 46 7.997 7.751 3.396 365 HA ASP 46 HA ASP 46 9.513 10.080 3.929 366 HB2 ASP 46 2HB ASP 46 10.102 7.731 2.073 367 HB3 ASP 46 3HB ASP 46 11.257 9.032 2.343 368 H LYS 47 H LYS 47 7.922 8.923 1.012 369 HA LYS 47 HA LYS 47 8.844 11.018 -0.732 370 HB2 LYS 47 2HB LYS 47 6.865 8.752 -1.088 371 HB3 LYS 47 3HB LYS 47 7.029 10.010 -2.309 372 HG2 LYS 47 2HG LYS 47 8.373 8.007 -2.870 373 HG3 LYS 47 3HG LYS 47 9.374 9.445 -2.674 374 HD2 LYS 47 2HD LYS 47 10.061 8.679 -0.434 375 HD3 LYS 47 3HD LYS 47 9.005 7.277 -0.571 376 HE2 LYS 47 2HE LYS 47 11.363 7.822 -2.396 377 HE3 LYS 47 3HE LYS 47 11.412 6.764 -0.984 378 HZ1 LYS 47 3HZ LYS 47 11.078 5.480 -2.960 379 HZ2 LYS 47 1HZ LYS 47 9.724 6.392 -3.400 380 HZ3 LYS 47 2HZ LYS 47 9.671 5.409 -2.023 381 H ILE 48 H ILE 48 5.981 10.509 1.253 382 HA ILE 48 HA ILE 48 4.551 12.825 0.397 383 HB ILE 48 HB ILE 48 4.460 11.543 3.172 384 HG12 ILE 48 2HG1 ILE 48 3.906 9.928 1.253 385 HG13 ILE 48 3HG1 ILE 48 2.651 10.117 2.465 386 HG21 ILE 48 1HG2 ILE 48 3.459 13.746 3.183 387 HG22 ILE 48 2HG2 ILE 48 2.165 12.554 3.252 388 HG23 ILE 48 3HG2 ILE 48 2.513 13.386 1.739 389 HD11 ILE 48 3HD1 ILE 48 1.779 10.002 0.201 390 HD12 ILE 48 1HD1 ILE 48 2.683 11.448 -0.238 391 HD13 ILE 48 2HD1 ILE 48 1.390 11.543 0.963 392 H LYS 49 H LYS 49 7.134 12.208 2.704 393 HA LYS 49 HA LYS 49 7.242 14.762 3.970 394 HB2 LYS 49 2HB LYS 49 8.164 12.793 5.075 395 HB3 LYS 49 3HB LYS 49 9.256 12.486 3.736 396 HG2 LYS 49 2HG LYS 49 10.443 14.657 4.312 397 HG3 LYS 49 3HG LYS 49 9.418 14.757 5.746 398 HD2 LYS 49 2HD LYS 49 11.619 13.802 6.318 399 HD3 LYS 49 3HD LYS 49 10.347 12.604 6.569 400 HE2 LYS 49 2HE LYS 49 10.936 11.572 4.365 401 HE3 LYS 49 3HE LYS 49 12.240 12.749 4.189 402 HZ1 LYS 49 3HZ LYS 49 12.024 10.762 6.394 403 HZ2 LYS 49 1HZ LYS 49 13.300 11.850 6.157 404 HZ3 LYS 49 2HZ LYS 49 13.022 10.605 5.043 405 H LYS 50 H LYS 50 8.745 13.370 1.063 406 HA LYS 50 HA LYS 50 10.644 15.373 0.468 407 HB2 LYS 50 2HB LYS 50 9.011 13.747 -1.539 408 HB3 LYS 50 3HB LYS 50 10.504 14.609 -1.889 409 HG2 LYS 50 2HG LYS 50 10.190 12.195 -0.097 410 HG3 LYS 50 3HG LYS 50 10.918 12.220 -1.701 411 HD2 LYS 50 2HD LYS 50 12.754 13.634 -0.854 412 HD3 LYS 50 3HD LYS 50 12.001 13.676 0.743 413 HE2 LYS 50 2HE LYS 50 12.343 11.264 1.000 414 HE3 LYS 50 3HE LYS 50 13.004 11.163 -0.635 415 HZ1 LYS 50 3HZ LYS 50 14.834 12.587 0.043 416 HZ2 LYS 50 1HZ LYS 50 14.746 11.221 1.043 417 HZ3 LYS 50 2HZ LYS 50 14.190 12.711 1.606 418 H GLN 51 H GLN 51 7.213 15.137 -0.218 419 HA GLN 51 HA GLN 51 6.685 17.910 -0.367 420 HB2 GLN 51 2HB GLN 51 7.812 17.804 -2.549 421 HB3 GLN 51 3HB GLN 51 6.855 16.408 -3.026 422 HG2 GLN 51 2HG GLN 51 4.821 17.819 -3.044 423 HG3 GLN 51 3HG GLN 51 5.793 19.218 -2.583 424 HE21 GLN 51 1HE2 GLN 51 5.022 16.983 -5.147 425 HE22 GLN 51 2HE2 GLN 51 5.777 17.872 -6.418 426 H GLY 52 H GLY 52 5.744 14.761 -1.716 427 HA2 GLY 52 2HA GLY 52 3.494 14.107 -0.417 428 HA3 GLY 52 3HA GLY 52 2.902 15.335 -1.539 429 H CYS 53 H CYS 53 3.914 12.039 -1.213 430 HA CYS 53 HA CYS 53 3.924 11.365 -3.980 431 HB2 CYS 53 2HB CYS 53 4.849 9.861 -2.215 432 HB3 CYS 53 3HB CYS 53 3.218 9.581 -1.613 433 HG CYS 53 HG CYS 53 2.663 8.742 -4.502 434 H LYS 54 H LYS 54 2.240 12.346 -5.010 435 HA LYS 54 HA LYS 54 -0.321 12.757 -3.903 436 HB2 LYS 54 2HB LYS 54 -0.957 13.729 -6.051 437 HB3 LYS 54 3HB LYS 54 0.630 14.304 -5.549 438 HG2 LYS 54 2HG LYS 54 1.740 12.846 -7.148 439 HG3 LYS 54 3HG LYS 54 0.207 12.067 -7.558 440 HD2 LYS 54 2HD LYS 54 -0.643 14.182 -8.509 441 HD3 LYS 54 3HD LYS 54 0.854 15.005 -8.057 442 HE2 LYS 54 2HE LYS 54 0.677 12.680 -10.001 443 HE3 LYS 54 3HE LYS 54 0.765 14.378 -10.467 444 HZ1 LYS 54 3HZ LYS 54 2.921 14.508 -9.338 445 HZ2 LYS 54 1HZ LYS 54 2.929 13.377 -10.595 446 HZ3 LYS 54 2HZ LYS 54 2.844 12.861 -8.983 447 H ARG 55 H ARG 55 0.925 10.029 -5.398 448 HA ARG 55 HA ARG 55 -1.622 8.641 -5.314 449 HB2 ARG 55 2HB ARG 55 -1.568 9.556 -7.622 450 HB3 ARG 55 3HB ARG 55 0.038 8.882 -7.876 451 HG2 ARG 55 2HG ARG 55 -0.977 6.579 -7.587 452 HG3 ARG 55 3HG ARG 55 -2.567 7.351 -7.545 453 HD2 ARG 55 2HD ARG 55 -0.581 7.529 -9.832 454 HD3 ARG 55 3HD ARG 55 -2.003 6.483 -9.801 455 HE ARG 55 HE ARG 55 -3.085 8.930 -9.403 456 HH11 ARG 55 1HH1 ARG 55 -0.823 7.790 -11.855 457 HH12 ARG 55 2HH1 ARG 55 -1.380 8.905 -13.052 458 HH21 ARG 55 1HH2 ARG 55 -3.827 10.347 -11.015 459 HH22 ARG 55 2HH2 ARG 55 -3.086 10.354 -12.572 460 H VAL 56 H VAL 56 -1.053 6.852 -4.178 461 HA VAL 56 HA VAL 56 1.644 5.656 -4.541 462 HB VAL 56 HB VAL 56 -0.323 5.280 -2.201 463 HG11 VAL 56 1HG1 VAL 56 2.562 4.370 -2.462 464 HG12 VAL 56 2HG1 VAL 56 1.130 3.339 -2.490 465 HG13 VAL 56 3HG1 VAL 56 1.559 4.208 -1.017 466 HG21 VAL 56 3HG2 VAL 56 0.514 7.587 -2.181 467 HG22 VAL 56 1HG2 VAL 56 2.179 7.004 -2.235 468 HG23 VAL 56 2HG2 VAL 56 1.172 6.672 -0.822 469 H LYS 57 H LYS 57 1.508 3.892 -5.836 470 HA LYS 57 HA LYS 57 -1.091 2.596 -6.293 471 HB2 LYS 57 2HB LYS 57 1.549 2.631 -7.821 472 HB3 LYS 57 3HB LYS 57 0.338 1.397 -8.166 473 HG2 LYS 57 2HG LYS 57 -1.298 3.173 -8.721 474 HG3 LYS 57 3HG LYS 57 -0.055 4.395 -8.422 475 HD2 LYS 57 2HD LYS 57 1.238 3.711 -10.302 476 HD3 LYS 57 3HD LYS 57 0.384 2.174 -10.452 477 HE2 LYS 57 2HE LYS 57 -0.812 4.913 -11.021 478 HE3 LYS 57 3HE LYS 57 -0.263 3.750 -12.232 479 HZ1 LYS 57 3HZ LYS 57 -2.644 3.600 -11.930 480 HZ2 LYS 57 1HZ LYS 57 -2.454 3.315 -10.276 481 HZ3 LYS 57 2HZ LYS 57 -1.916 2.169 -11.390 482 H ILE 58 H ILE 58 -1.538 0.796 -5.283 483 HA ILE 58 HA ILE 58 0.580 -1.043 -4.364 484 HB ILE 58 HB ILE 58 -2.391 -0.834 -3.645 485 HG12 ILE 58 2HG1 ILE 58 0.124 -0.331 -1.983 486 HG13 ILE 58 3HG1 ILE 58 -0.941 0.906 -2.628 487 HG21 ILE 58 1HG2 ILE 58 -0.390 -2.879 -2.624 488 HG22 ILE 58 2HG2 ILE 58 -1.768 -3.213 -3.674 489 HG23 ILE 58 3HG2 ILE 58 -2.033 -2.661 -2.020 490 HD11 ILE 58 3HD1 ILE 58 -1.640 -1.103 -0.493 491 HD12 ILE 58 1HD1 ILE 58 -2.736 0.108 -1.168 492 HD13 ILE 58 2HD1 ILE 58 -1.301 0.614 -0.280 493 H ARG 59 H ARG 59 1.089 -2.438 -5.915 494 HA ARG 59 HA ARG 59 -1.003 -3.613 -7.649 495 HB2 ARG 59 2HB ARG 59 1.939 -3.061 -8.259 496 HB3 ARG 59 3HB ARG 59 0.904 -4.055 -9.277 497 HG2 ARG 59 2HG ARG 59 -0.590 -2.099 -9.630 498 HG3 ARG 59 3HG ARG 59 0.517 -1.108 -8.677 499 HD2 ARG 59 2HD ARG 59 2.272 -1.365 -10.305 500 HD3 ARG 59 3HD ARG 59 1.360 -2.593 -11.190 501 HE ARG 59 HE ARG 59 -0.320 -0.593 -11.434 502 HH11 ARG 59 1HH1 ARG 59 3.193 -0.409 -11.704 503 HH12 ARG 59 2HH1 ARG 59 3.148 0.917 -12.822 504 HH21 ARG 59 1HH2 ARG 59 -0.351 1.082 -12.969 505 HH22 ARG 59 2HH2 ARG 59 1.142 1.760 -13.538 506 H PHE 60 H PHE 60 -1.174 -5.765 -7.612 507 HA PHE 60 HA PHE 60 0.729 -7.520 -6.312 508 HB2 PHE 60 2HB PHE 60 -0.343 -6.367 -4.375 509 HB3 PHE 60 3HB PHE 60 -1.932 -6.802 -4.984 510 HD1 PHE 60 HD2 PHE 60 1.217 -8.806 -4.451 511 HD2 PHE 60 HD1 PHE 60 -2.934 -8.333 -3.537 512 HE1 PHE 60 HE2 PHE 60 1.259 -10.891 -3.146 513 HE2 PHE 60 HE1 PHE 60 -2.878 -10.414 -2.232 514 HZ PHE 60 HZ PHE 60 -0.782 -11.696 -2.028 515 H GLU 61 H GLU 61 -0.068 -9.766 -6.392 516 HA GLU 61 HA GLU 61 -1.672 -10.253 -8.780 517 HB2 GLU 61 2HB GLU 61 -0.131 -12.218 -7.039 518 HB3 GLU 61 3HB GLU 61 -0.822 -12.540 -8.630 519 HG2 GLU 61 2HG GLU 61 0.697 -10.833 -9.615 520 HG3 GLU 61 3HG GLU 61 1.413 -10.589 -8.019 521 H LYS 62 H LYS 62 -3.545 -11.376 -8.841 522 HA LYS 62 HA LYS 62 -4.787 -12.419 -6.365 523 HB2 LYS 62 2HB LYS 62 -6.189 -10.809 -8.545 524 HB3 LYS 62 3HB LYS 62 -6.991 -11.589 -7.191 525 HG2 LYS 62 2HG LYS 62 -5.047 -9.283 -7.043 526 HG3 LYS 62 3HG LYS 62 -6.792 -9.193 -6.832 527 HD2 LYS 62 2HD LYS 62 -4.856 -10.660 -4.998 528 HD3 LYS 62 3HD LYS 62 -5.577 -9.082 -4.683 529 HE2 LYS 62 2HE LYS 62 -7.023 -11.738 -4.869 530 HE3 LYS 62 3HE LYS 62 -6.766 -10.766 -3.422 531 HZ1 LYS 62 3HZ LYS 62 -8.979 -10.438 -4.184 532 HZ2 LYS 62 1HZ LYS 62 -8.460 -10.076 -5.749 533 HZ3 LYS 62 2HZ LYS 62 -8.121 -9.015 -4.483 534 H LYS 63 H LYS 63 -6.801 -13.758 -7.064 535 HA LYS 63 HA LYS 63 -7.777 -15.501 -8.066 536 HB2 LYS 63 2HB LYS 63 -7.710 -14.385 -10.228 537 HB3 LYS 63 3HB LYS 63 -6.026 -14.836 -10.466 538 HG2 LYS 63 2HG LYS 63 -7.475 -16.218 -11.857 539 HG3 LYS 63 3HG LYS 63 -6.670 -17.206 -10.643 540 HD2 LYS 63 2HD LYS 63 -8.956 -17.950 -10.894 541 HD3 LYS 63 3HD LYS 63 -8.780 -17.224 -9.301 542 HE2 LYS 63 2HE LYS 63 -9.902 -15.665 -11.651 543 HE3 LYS 63 3HE LYS 63 -10.918 -16.692 -10.643 544 HZ1 LYS 63 3HZ LYS 63 -11.025 -14.460 -9.863 545 HZ2 LYS 63 1HZ LYS 63 -9.350 -14.348 -9.728 546 HZ3 LYS 63 2HZ LYS 63 -10.217 -15.383 -8.711 547 H GLY 64 H GLY 64 -4.246 -15.545 -8.689 548 HA2 GLY 64 2HA GLY 64 -3.993 -18.403 -8.381 549 HA3 GLY 64 3HA GLY 64 -2.698 -17.235 -8.542 550 H LEU 65 H LEU 65 -4.476 -16.070 -6.047 551 HA LEU 65 HA LEU 65 -2.986 -17.572 -3.976 552 HB2 LEU 65 2HB LEU 65 -3.849 -15.621 -2.458 553 HB3 LEU 65 3HB LEU 65 -2.511 -15.340 -3.551 554 HG LEU 65 HG LEU 65 -3.988 -14.099 -5.096 555 HD11 LEU 65 1HD1 LEU 65 -6.278 -13.478 -4.524 556 HD12 LEU 65 2HD1 LEU 65 -6.229 -14.532 -3.106 557 HD13 LEU 65 3HD1 LEU 65 -6.126 -15.220 -4.729 558 HD21 LEU 65 3HD2 LEU 65 -2.828 -12.858 -3.345 559 HD22 LEU 65 1HD2 LEU 65 -4.183 -13.108 -2.236 560 HD23 LEU 65 2HD2 LEU 65 -4.393 -12.128 -3.690 561 H ASP 66 H ASP 66 -4.248 -17.592 -1.805 562 HA ASP 66 HA ASP 66 -6.510 -19.331 -2.137 563 HB2 ASP 66 2HB ASP 66 -4.725 -19.533 -0.346 564 HB3 ASP 66 3HB ASP 66 -5.376 -18.086 0.412 565 H ASP 67 H ASP 67 -8.629 -18.946 -0.957 566 HA ASP 67 HA ASP 67 -9.807 -16.476 -1.776 567 HB2 ASP 67 2HB ASP 67 -11.079 -18.571 -1.811 568 HB3 ASP 67 3HB ASP 67 -10.919 -18.739 -0.062 569 H ASP 68 H ASP 68 -8.606 -17.655 1.339 570 HA ASP 68 HA ASP 68 -9.574 -15.395 2.865 571 HB2 ASP 68 2HB ASP 68 -9.173 -17.520 4.024 572 HB3 ASP 68 3HB ASP 68 -7.477 -17.508 3.559 573 H ALA 69 H ALA 69 -6.580 -16.257 1.157 574 HA ALA 69 HA ALA 69 -5.003 -13.999 1.892 575 HB1 ALA 69 3HB ALA 69 -4.049 -16.034 0.882 576 HB2 ALA 69 1HB ALA 69 -3.608 -14.597 -0.039 577 HB3 ALA 69 2HB ALA 69 -4.868 -15.679 -0.643 578 H ARG 70 H ARG 70 -7.474 -14.509 -0.485 579 HA ARG 70 HA ARG 70 -7.290 -12.211 -2.102 580 HB2 ARG 70 2HB ARG 70 -8.652 -14.371 -2.415 581 HB3 ARG 70 3HB ARG 70 -9.804 -13.723 -1.262 582 HG2 ARG 70 2HG ARG 70 -10.230 -11.819 -2.847 583 HG3 ARG 70 3HG ARG 70 -9.142 -12.602 -4.002 584 HD2 ARG 70 2HD ARG 70 -10.690 -14.689 -3.722 585 HD3 ARG 70 3HD ARG 70 -11.838 -13.557 -3.006 586 HE ARG 70 HE ARG 70 -10.764 -13.311 -5.747 587 HH11 ARG 70 1HH1 ARG 70 -13.524 -13.142 -3.563 588 HH12 ARG 70 2HH1 ARG 70 -14.622 -12.649 -4.811 589 HH21 ARG 70 1HH2 ARG 70 -12.215 -12.643 -7.354 590 HH22 ARG 70 2HH2 ARG 70 -13.877 -12.368 -6.953 591 H LYS 71 H LYS 71 -8.937 -12.894 0.948 592 HA LYS 71 HA LYS 71 -10.162 -10.355 1.384 593 HB2 LYS 71 2HB LYS 71 -10.910 -12.493 2.489 594 HB3 LYS 71 3HB LYS 71 -9.412 -12.515 3.412 595 HG2 LYS 71 2HG LYS 71 -10.230 -10.116 4.225 596 HG3 LYS 71 3HG LYS 71 -11.807 -10.702 3.713 597 HD2 LYS 71 2HD LYS 71 -10.021 -12.036 5.786 598 HD3 LYS 71 3HD LYS 71 -11.390 -10.995 6.149 599 HE2 LYS 71 2HE LYS 71 -12.255 -13.149 6.448 600 HE3 LYS 71 3HE LYS 71 -12.795 -12.737 4.822 601 HZ1 LYS 71 3HZ LYS 71 -10.397 -14.371 5.443 602 HZ2 LYS 71 1HZ LYS 71 -11.027 -14.060 3.911 603 HZ3 LYS 71 2HZ LYS 71 -11.902 -14.995 5.009 604 H LYS 72 H LYS 72 -7.214 -11.923 2.628 605 HA LYS 72 HA LYS 72 -6.419 -9.937 4.462 606 HB2 LYS 72 2HB LYS 72 -4.839 -12.128 3.043 607 HB3 LYS 72 3HB LYS 72 -4.121 -11.102 4.270 608 HG2 LYS 72 2HG LYS 72 -6.456 -12.988 4.733 609 HG3 LYS 72 3HG LYS 72 -4.769 -13.344 5.098 610 HD2 LYS 72 2HD LYS 72 -4.775 -11.347 6.660 611 HD3 LYS 72 3HD LYS 72 -6.518 -11.230 6.401 612 HE2 LYS 72 2HE LYS 72 -5.060 -13.634 7.569 613 HE3 LYS 72 3HE LYS 72 -5.989 -12.444 8.479 614 HZ1 LYS 72 3HZ LYS 72 -7.268 -14.454 8.071 615 HZ2 LYS 72 1HZ LYS 72 -7.092 -14.260 6.400 616 HZ3 LYS 72 2HZ LYS 72 -7.974 -13.133 7.296 617 H ALA 73 H ALA 73 -5.831 -10.337 1.027 618 HA ALA 73 HA ALA 73 -3.766 -8.387 0.635 619 HB1 ALA 73 3HB ALA 73 -5.874 -9.466 -1.291 620 HB2 ALA 73 1HB ALA 73 -4.279 -10.164 -1.002 621 HB3 ALA 73 2HB ALA 73 -4.420 -8.572 -1.749 622 H LYS 74 H LYS 74 -7.267 -8.399 0.337 623 HA LYS 74 HA LYS 74 -7.646 -5.814 -0.715 624 HB2 LYS 74 2HB LYS 74 -9.224 -7.712 -0.949 625 HB3 LYS 74 3HB LYS 74 -9.557 -7.651 0.777 626 HG2 LYS 74 2HG LYS 74 -10.518 -5.373 0.497 627 HG3 LYS 74 3HG LYS 74 -10.196 -5.476 -1.235 628 HD2 LYS 74 2HD LYS 74 -12.555 -5.958 -0.755 629 HD3 LYS 74 3HD LYS 74 -11.755 -7.382 -1.427 630 HE2 LYS 74 2HE LYS 74 -11.536 -8.310 0.869 631 HE3 LYS 74 3HE LYS 74 -12.372 -6.892 1.511 632 HZ1 LYS 74 3HZ LYS 74 -13.517 -8.819 -0.438 633 HZ2 LYS 74 1HZ LYS 74 -14.316 -7.485 0.221 634 HZ3 LYS 74 2HZ LYS 74 -13.866 -8.776 1.210 635 H LYS 75 H LYS 75 -7.809 -7.096 2.593 636 HA LYS 75 HA LYS 75 -8.529 -4.680 3.907 637 HB2 LYS 75 2HB LYS 75 -7.229 -7.243 4.937 638 HB3 LYS 75 3HB LYS 75 -7.650 -5.897 5.993 639 HG2 LYS 75 2HG LYS 75 -10.032 -6.129 5.294 640 HG3 LYS 75 3HG LYS 75 -9.590 -7.550 4.342 641 HD2 LYS 75 2HD LYS 75 -8.939 -8.768 6.341 642 HD3 LYS 75 3HD LYS 75 -9.110 -7.325 7.345 643 HE2 LYS 75 2HE LYS 75 -11.376 -8.770 5.919 644 HE3 LYS 75 3HE LYS 75 -11.013 -8.864 7.643 645 HZ1 LYS 75 3HZ LYS 75 -11.847 -6.425 6.161 646 HZ2 LYS 75 1HZ LYS 75 -11.441 -6.472 7.803 647 HZ3 LYS 75 2HZ LYS 75 -12.797 -7.310 7.241 648 H TRP 76 H TRP 76 -5.438 -6.275 3.196 649 HA TRP 76 HA TRP 76 -3.681 -4.839 4.788 650 HB2 TRP 76 2HB TRP 76 -3.048 -6.894 3.549 651 HB3 TRP 76 3HB TRP 76 -3.153 -6.033 2.020 652 HD1 TRP 76 HD1 TRP 76 -0.933 -6.354 5.134 653 HE1 TRP 76 HE1 TRP 76 1.373 -5.368 4.606 654 HE3 TRP 76 HE3 TRP 76 -1.883 -4.414 0.504 655 HZ2 TRP 76 HZ2 TRP 76 2.638 -3.961 2.556 656 HZ3 TRP 76 HZ3 TRP 76 -0.062 -3.274 -0.684 657 HH2 TRP 76 HH2 TRP 76 2.166 -3.049 0.325 658 H ALA 77 H ALA 77 -4.578 -4.206 1.396 659 HA ALA 77 HA ALA 77 -2.992 -1.951 0.934 660 HB1 ALA 77 3HB ALA 77 -5.622 -2.700 -0.365 661 HB2 ALA 77 1HB ALA 77 -4.031 -3.286 -0.847 662 HB3 ALA 77 2HB ALA 77 -4.431 -1.574 -1.020 663 H LEU 78 H LEU 78 -6.260 -2.244 2.243 664 HA LEU 78 HA LEU 78 -6.940 0.514 2.255 665 HB2 LEU 78 2HB LEU 78 -7.996 -1.802 3.921 666 HB3 LEU 78 3HB LEU 78 -8.709 -0.196 3.928 667 HG LEU 78 HG LEU 78 -8.590 -2.084 1.539 668 HD11 LEU 78 1HD1 LEU 78 -10.962 -1.240 3.231 669 HD12 LEU 78 2HD1 LEU 78 -10.175 -2.820 3.257 670 HD13 LEU 78 3HD1 LEU 78 -11.014 -2.282 1.803 671 HD21 LEU 78 3HD2 LEU 78 -9.866 0.666 1.733 672 HD22 LEU 78 1HD2 LEU 78 -10.010 -0.452 0.373 673 HD23 LEU 78 2HD2 LEU 78 -8.442 0.236 0.781 674 H GLU 79 H GLU 79 -5.559 -1.674 4.739 675 HA GLU 79 HA GLU 79 -5.554 0.255 6.836 676 HB2 GLU 79 2HB GLU 79 -3.940 -2.318 6.597 677 HB3 GLU 79 3HB GLU 79 -4.153 -1.382 8.071 678 HG2 GLU 79 2HG GLU 79 -6.348 -2.786 6.527 679 HG3 GLU 79 3HG GLU 79 -5.631 -3.336 8.036 680 H VAL 80 H VAL 80 -3.081 -0.669 4.459 681 HA VAL 80 HA VAL 80 -0.965 0.978 5.343 682 HB VAL 80 HB VAL 80 -1.742 0.159 2.499 683 HG11 VAL 80 1HG1 VAL 80 0.569 0.722 1.824 684 HG12 VAL 80 2HG1 VAL 80 0.890 1.363 3.437 685 HG13 VAL 80 3HG1 VAL 80 -0.300 2.147 2.396 686 HG21 VAL 80 3HG2 VAL 80 0.039 -1.548 2.710 687 HG22 VAL 80 1HG2 VAL 80 -1.214 -1.766 3.935 688 HG23 VAL 80 2HG2 VAL 80 0.332 -1.039 4.376 689 H ALA 81 H ALA 81 -3.668 1.585 3.095 690 HA ALA 81 HA ALA 81 -3.129 4.233 2.362 691 HB1 ALA 81 3HB ALA 81 -5.484 4.308 1.627 692 HB2 ALA 81 1HB ALA 81 -5.817 2.829 2.541 693 HB3 ALA 81 2HB ALA 81 -4.717 2.787 1.164 694 H ASN 82 H ASN 82 -5.009 2.921 5.063 695 HA ASN 82 HA ASN 82 -6.098 5.438 5.905 696 HB2 ASN 82 2HB ASN 82 -6.115 2.664 7.190 697 HB3 ASN 82 3HB ASN 82 -6.834 4.060 7.977 698 HD21 ASN 82 1HD2 ASN 82 -7.463 1.472 5.992 699 HD22 ASN 82 2HD2 ASN 82 -8.966 1.996 5.323 700 H LYS 83 H LYS 83 -3.272 3.506 6.735 701 HA LYS 83 HA LYS 83 -2.646 4.755 9.209 702 HB2 LYS 83 2HB LYS 83 -1.675 2.540 8.305 703 HB3 LYS 83 3HB LYS 83 -0.598 3.500 7.306 704 HG2 LYS 83 2HG LYS 83 -0.690 3.775 10.329 705 HG3 LYS 83 3HG LYS 83 0.336 2.589 9.534 706 HD2 LYS 83 2HD LYS 83 1.702 4.287 8.542 707 HD3 LYS 83 3HD LYS 83 0.527 5.552 8.894 708 HE2 LYS 83 2HE LYS 83 2.421 5.746 10.404 709 HE3 LYS 83 3HE LYS 83 0.991 5.270 11.319 710 HZ1 LYS 83 3HZ LYS 83 3.229 3.519 10.473 711 HZ2 LYS 83 1HZ LYS 83 1.824 2.959 11.220 712 HZ3 LYS 83 2HZ LYS 83 2.869 3.999 12.045 713 H ILE 84 H ILE 84 -1.540 5.324 5.858 714 HA ILE 84 HA ILE 84 0.168 7.534 6.463 715 HB ILE 84 HB ILE 84 -1.055 6.864 3.738 716 HG12 ILE 84 2HG1 ILE 84 1.613 5.837 4.832 717 HG13 ILE 84 3HG1 ILE 84 0.138 4.883 4.815 718 HG21 ILE 84 1HG2 ILE 84 0.951 7.992 2.813 719 HG22 ILE 84 2HG2 ILE 84 1.502 8.355 4.450 720 HG23 ILE 84 3HG2 ILE 84 0.017 9.085 3.839 721 HD11 ILE 84 3HD1 ILE 84 1.587 4.294 2.970 722 HD12 ILE 84 1HD1 ILE 84 1.557 5.957 2.379 723 HD13 ILE 84 2HD1 ILE 84 0.079 4.989 2.381 724 H ALA 85 H ALA 85 -3.216 7.216 5.401 725 HA ALA 85 HA ALA 85 -3.792 9.970 4.996 726 HB1 ALA 85 3HB ALA 85 -5.692 7.709 5.714 727 HB2 ALA 85 1HB ALA 85 -5.201 8.169 4.084 728 HB3 ALA 85 2HB ALA 85 -6.160 9.283 5.058 729 H ASN 86 H ASN 86 -3.843 7.910 7.863 730 HA ASN 86 HA ASN 86 -5.098 9.799 9.639 731 HB2 ASN 86 2HB ASN 86 -5.173 7.387 10.108 732 HB3 ASN 86 3HB ASN 86 -3.419 7.302 10.182 733 HD21 ASN 86 1HD2 ASN 86 -6.308 8.408 11.864 734 HD22 ASN 86 2HD2 ASN 86 -5.550 8.603 13.403 735 H GLU 87 H GLU 87 -1.772 8.911 8.851 736 HA GLU 87 HA GLU 87 -0.440 10.191 11.003 737 HB2 GLU 87 2HB GLU 87 0.334 8.279 9.394 738 HB3 GLU 87 3HB GLU 87 0.802 9.557 8.292 739 HG2 GLU 87 2HG GLU 87 1.895 9.273 11.107 740 HG3 GLU 87 3HG GLU 87 2.652 8.552 9.691 741 H LEU 88 H LEU 88 -0.993 11.137 7.605 742 HA LEU 88 HA LEU 88 0.255 13.759 8.010 743 HB2 LEU 88 2HB LEU 88 -0.811 12.349 5.524 744 HB3 LEU 88 3HB LEU 88 -0.246 14.010 5.503 745 HG LEU 88 HG LEU 88 1.520 12.662 4.661 746 HD11 LEU 88 1HD1 LEU 88 2.221 14.489 6.122 747 HD12 LEU 88 2HD1 LEU 88 3.366 13.156 6.117 748 HD13 LEU 88 3HD1 LEU 88 2.286 13.376 7.498 749 HD21 LEU 88 3HD2 LEU 88 0.859 10.467 5.491 750 HD22 LEU 88 1HD2 LEU 88 1.377 10.901 7.122 751 HD23 LEU 88 2HD2 LEU 88 2.560 10.776 5.815 752 H GLY 89 H GLY 89 -2.909 12.366 7.327 753 HA2 GLY 89 2HA GLY 89 -5.013 13.365 7.657 754 HA3 GLY 89 3HA GLY 89 -4.261 14.961 7.766 755 H ALA 90 H ALA 90 -4.919 12.279 5.570 756 HA ALA 90 HA ALA 90 -4.897 14.070 3.220 757 HB1 ALA 90 3HB ALA 90 -2.623 13.118 3.450 758 HB2 ALA 90 1HB ALA 90 -3.436 12.489 2.015 759 HB3 ALA 90 2HB ALA 90 -3.294 11.483 3.459 760 H LYS 91 H LYS 91 -5.428 12.476 1.225 761 HA LYS 91 HA LYS 91 -8.192 11.866 1.534 762 HB2 LYS 91 2HB LYS 91 -6.289 11.274 -0.774 763 HB3 LYS 91 3HB LYS 91 -8.042 11.231 -0.874 764 HG2 LYS 91 2HG LYS 91 -6.451 13.728 -0.239 765 HG3 LYS 91 3HG LYS 91 -6.952 13.268 -1.867 766 HD2 LYS 91 2HD LYS 91 -9.343 13.327 -1.083 767 HD3 LYS 91 3HD LYS 91 -8.778 13.932 0.477 768 HE2 LYS 91 2HE LYS 91 -7.871 15.937 -0.596 769 HE3 LYS 91 3HE LYS 91 -8.316 15.318 -2.190 770 HZ1 LYS 91 3HZ LYS 91 -9.914 16.930 -1.395 771 HZ2 LYS 91 1HZ LYS 91 -10.214 16.012 -0.007 772 HZ3 LYS 91 2HZ LYS 91 -10.646 15.412 -1.526 773 H GLN 92 H GLN 92 -8.957 9.749 0.255 774 HA GLN 92 HA GLN 92 -7.921 7.374 1.662 775 HB2 GLN 92 2HB GLN 92 -10.588 8.084 0.405 776 HB3 GLN 92 3HB GLN 92 -10.159 6.388 0.583 777 HG2 GLN 92 2HG GLN 92 -11.573 7.166 2.432 778 HG3 GLN 92 3HG GLN 92 -9.992 6.642 3.003 779 HE21 GLN 92 1HE2 GLN 92 -8.568 8.198 3.865 780 HE22 GLN 92 2HE2 GLN 92 -9.099 9.777 4.305 781 H SER 93 H SER 93 -8.693 5.336 0.062 782 HA SER 93 HA SER 93 -7.128 5.626 -2.438 783 HB2 SER 93 2HB SER 93 -6.734 3.140 -2.165 784 HB3 SER 93 3HB SER 93 -6.014 4.119 -0.889 785 HG SER 93 HG SER 93 -7.058 2.384 0.049 786 H THR 94 H THR 94 -7.977 4.759 -4.341 787 HA THR 94 HA THR 94 -10.700 3.656 -4.326 788 HB THR 94 HB THR 94 -10.161 5.351 -6.060 789 HG1 THR 94 HG1 THR 94 -10.537 3.545 -7.888 790 HG21 THR 94 3HG2 THR 94 -8.177 3.327 -7.180 791 HG22 THR 94 1HG2 THR 94 -7.755 4.874 -6.431 792 HG23 THR 94 2HG2 THR 94 -8.663 4.840 -7.942 793 H THR 95 H THR 95 -11.085 1.487 -4.944 794 HA THR 95 HA THR 95 -8.725 -0.283 -4.803 795 HB THR 95 HB THR 95 -9.631 -0.342 -2.610 796 HG1 THR 95 HG1 THR 95 -10.842 -2.644 -3.733 797 HG21 THR 95 3HG2 THR 95 -12.390 -0.874 -3.775 798 HG22 THR 95 1HG2 THR 95 -11.859 0.635 -3.022 799 HG23 THR 95 2HG2 THR 95 -11.978 -0.838 -2.060 800 H THR 96 H THR 96 -8.550 -1.254 -6.690 801 HA THR 96 HA THR 96 -10.856 -2.752 -7.807 802 HB THR 96 HB THR 96 -8.150 -2.084 -9.089 803 HG1 THR 96 HG1 THR 96 -10.782 -1.084 -9.532 804 HG21 THR 96 3HG2 THR 96 -9.073 -3.011 -11.170 805 HG22 THR 96 1HG2 THR 96 -10.561 -3.469 -10.341 806 HG23 THR 96 2HG2 THR 96 -9.036 -4.259 -9.924 807 H THR 97 H THR 97 -10.923 -4.757 -6.962 808 HA THR 97 HA THR 97 -8.394 -6.169 -6.313 809 HB THR 97 HB THR 97 -9.671 -5.521 -4.261 810 HG1 THR 97 HG1 THR 97 -9.123 -7.335 -3.308 811 HG21 THR 97 3HG2 THR 97 -11.749 -6.661 -3.627 812 HG22 THR 97 1HG2 THR 97 -11.812 -7.446 -5.205 813 HG23 THR 97 2HG2 THR 97 -11.997 -5.697 -5.088 814 H ASP 98 H ASP 98 -8.085 -7.960 -7.401 815 HA ASP 98 HA ASP 98 -8.322 -9.960 -8.358 816 HB2 ASP 98 2HB ASP 98 -10.268 -10.025 -6.429 817 HB3 ASP 98 3HB ASP 98 -11.274 -10.268 -7.849 818 H GLY 99 H GLY 99 -10.421 -11.142 -9.903 819 HA2 GLY 99 2HA GLY 99 -11.408 -11.000 -12.004 820 HA3 GLY 99 3HA GLY 99 -11.023 -9.283 -12.087 821 H ASP 100 H ASP 100 -8.470 -9.007 -11.922 822 HA ASP 100 HA ASP 100 -6.978 -11.043 -13.420 823 HB2 ASP 100 2HB ASP 100 -7.802 -9.400 -15.111 824 HB3 ASP 100 3HB ASP 100 -7.089 -8.077 -14.194 825 H THR 101 H THR 101 -6.461 -7.696 -12.235 826 HA THR 101 HA THR 101 -4.185 -8.637 -10.571 827 HB THR 101 HB THR 101 -4.352 -6.075 -12.256 828 HG1 THR 101 HG1 THR 101 -3.873 -8.125 -13.332 829 HG21 THR 101 3HG2 THR 101 -3.070 -5.636 -10.178 830 HG22 THR 101 1HG2 THR 101 -2.008 -5.660 -11.587 831 HG23 THR 101 2HG2 THR 101 -2.059 -7.046 -10.497 832 H PHE 102 H PHE 102 -3.777 -7.394 -8.682 833 HA PHE 102 HA PHE 102 -6.021 -5.945 -7.466 834 HB2 PHE 102 2HB PHE 102 -4.642 -7.744 -6.271 835 HB3 PHE 102 3HB PHE 102 -3.286 -6.642 -6.297 836 HD1 PHE 102 HD2 PHE 102 -6.812 -6.977 -5.100 837 HD2 PHE 102 HD1 PHE 102 -3.003 -5.122 -4.496 838 HE1 PHE 102 HE2 PHE 102 -7.583 -6.075 -2.949 839 HE2 PHE 102 HE1 PHE 102 -3.787 -4.237 -2.348 840 HZ PHE 102 HZ PHE 102 -6.077 -4.713 -1.573 841 H GLU 103 H GLU 103 -6.075 -3.826 -8.069 842 HA GLU 103 HA GLU 103 -3.596 -2.188 -7.958 843 HB2 GLU 103 2HB GLU 103 -4.414 -2.450 -10.306 844 HB3 GLU 103 3HB GLU 103 -6.002 -1.872 -9.824 845 HG2 GLU 103 2HG GLU 103 -4.935 -0.045 -10.909 846 HG3 GLU 103 3HG GLU 103 -4.904 0.326 -9.187 847 H VAL 104 H VAL 104 -3.835 -1.174 -6.025 848 HA VAL 104 HA VAL 104 -6.364 0.312 -5.501 849 HB VAL 104 HB VAL 104 -4.471 -0.942 -3.442 850 HG11 VAL 104 1HG1 VAL 104 -6.023 -0.065 -1.699 851 HG12 VAL 104 2HG1 VAL 104 -6.903 0.826 -2.945 852 HG13 VAL 104 3HG1 VAL 104 -5.223 1.234 -2.588 853 HG21 VAL 104 3HG2 VAL 104 -6.444 -2.283 -2.781 854 HG22 VAL 104 1HG2 VAL 104 -6.010 -2.559 -4.472 855 HG23 VAL 104 2HG2 VAL 104 -7.386 -1.531 -4.071 856 H GLU 105 H GLU 105 -5.948 2.319 -6.072 857 HA GLU 105 HA GLU 105 -3.280 3.518 -5.748 858 HB2 GLU 105 2HB GLU 105 -5.742 4.592 -7.199 859 HB3 GLU 105 3HB GLU 105 -4.120 5.286 -7.252 860 HG2 GLU 105 2HG GLU 105 -3.285 3.225 -8.342 861 HG3 GLU 105 3HG GLU 105 -4.915 2.554 -8.298 862 H VAL 106 H VAL 106 -2.972 4.487 -3.850 863 HA VAL 106 HA VAL 106 -5.144 5.796 -2.408 864 HB VAL 106 HB VAL 106 -2.218 5.695 -1.530 865 HG11 VAL 106 1HG1 VAL 106 -4.781 5.872 0.095 866 HG12 VAL 106 2HG1 VAL 106 -3.690 7.206 -0.275 867 HG13 VAL 106 3HG1 VAL 106 -3.136 5.878 0.744 868 HG21 VAL 106 3HG2 VAL 106 -2.627 3.611 -0.278 869 HG22 VAL 106 1HG2 VAL 106 -2.813 3.359 -2.016 870 HG23 VAL 106 2HG2 VAL 106 -4.239 3.487 -0.983 871 H ILE 107 H ILE 107 -5.560 7.747 -3.405 872 HA ILE 107 HA ILE 107 -3.332 9.248 -4.612 873 HB ILE 107 HB ILE 107 -6.353 9.551 -4.964 874 HG12 ILE 107 2HG1 ILE 107 -4.230 8.388 -6.838 875 HG13 ILE 107 3HG1 ILE 107 -5.436 7.463 -5.956 876 HG21 ILE 107 1HG2 ILE 107 -5.819 11.120 -6.809 877 HG22 ILE 107 2HG2 ILE 107 -4.103 11.002 -6.412 878 HG23 ILE 107 3HG2 ILE 107 -5.228 11.724 -5.259 879 HD11 ILE 107 3HD1 ILE 107 -6.030 7.677 -8.282 880 HD12 ILE 107 1HD1 ILE 107 -6.005 9.437 -8.170 881 HD13 ILE 107 2HD1 ILE 107 -7.210 8.508 -7.273 882 H LEU 108 H LEU 108 -2.386 10.354 -3.012 883 HA LEU 108 HA LEU 108 -4.022 11.770 -0.998 884 HB2 LEU 108 2HB LEU 108 -1.019 11.222 -1.087 885 HB3 LEU 108 3HB LEU 108 -1.914 11.878 0.278 886 HG LEU 108 HG LEU 108 -2.268 9.075 -0.861 887 HD11 LEU 108 1HD1 LEU 108 -1.231 8.267 1.198 888 HD12 LEU 108 2HD1 LEU 108 -0.911 9.930 1.702 889 HD13 LEU 108 3HD1 LEU 108 -0.129 9.274 0.262 890 HD21 LEU 108 3HD2 LEU 108 -3.675 8.648 1.109 891 HD22 LEU 108 1HD2 LEU 108 -4.355 9.895 0.071 892 HD23 LEU 108 2HD2 LEU 108 -3.549 10.345 1.574 893 H GLU 109 H GLU 109 -4.638 13.649 -1.933 894 HA GLU 109 HA GLU 109 -2.898 15.225 -3.632 895 HB2 GLU 109 2HB GLU 109 -5.707 15.774 -2.578 896 HB3 GLU 109 3HB GLU 109 -4.888 16.716 -3.823 897 HG2 GLU 109 2HG GLU 109 -4.929 14.807 -5.358 898 HG3 GLU 109 3HG GLU 109 -5.586 13.776 -4.087 899 H LEU 110 H LEU 110 -1.209 15.700 -2.102 900 HA LEU 110 HA LEU 110 -1.835 17.414 0.157 901 HB2 LEU 110 2HB LEU 110 0.813 16.391 -0.928 902 HB3 LEU 110 3HB LEU 110 0.707 17.522 0.405 903 HG LEU 110 HG LEU 110 0.981 15.497 1.526 904 HD11 LEU 110 1HD1 LEU 110 -0.980 16.644 2.428 905 HD12 LEU 110 2HD1 LEU 110 -1.067 14.901 2.658 906 HD13 LEU 110 3HD1 LEU 110 -2.033 15.671 1.392 907 HD21 LEU 110 3HD2 LEU 110 -0.856 14.086 -0.409 908 HD22 LEU 110 1HD2 LEU 110 -0.054 13.348 0.985 909 HD23 LEU 110 2HD2 LEU 110 0.906 13.983 -0.353 910 H GLU 111 H GLU 111 -2.977 18.763 -1.489 911 HA GLU 111 HA GLU 111 -1.603 20.809 -2.914 912 HB2 GLU 111 2HB GLU 111 -3.972 22.007 -2.499 913 HB3 GLU 111 3HB GLU 111 -3.798 20.690 -3.642 914 HG2 GLU 111 2HG GLU 111 -5.851 20.512 -2.277 915 HG3 GLU 111 3HG GLU 111 -4.790 19.118 -2.098 916 H HIS 112 H HIS 112 -2.000 20.210 0.397 917 HA HIS 112 HA HIS 112 -1.656 22.586 1.725 918 HB2 HIS 112 2HB HIS 112 -1.740 20.321 2.786 919 HB3 HIS 112 3HB HIS 112 -0.135 19.962 2.169 920 HD1 HIS 112 HD1 HIS 112 -1.912 21.497 5.005 921 HD2 HIS 112 HD2 HIS 112 1.973 21.445 3.534 922 HE1 HIS 112 HE1 HIS 112 -0.462 22.280 6.891 923 HE2 HIS 112 HE2 HIS 112 1.886 22.051 6.035 924 H HIS 113 H HIS 113 0.702 20.837 -0.256 925 HA HIS 113 HA HIS 113 2.925 22.555 0.582 926 HB2 HIS 113 2HB HIS 113 2.849 20.051 -1.147 927 HB3 HIS 113 3HB HIS 113 4.323 20.940 -0.778 928 HD1 HIS 113 HD1 HIS 113 5.559 20.127 1.211 929 HD2 HIS 113 HD2 HIS 113 1.543 19.089 1.393 930 HE1 HIS 113 HE1 HIS 113 5.320 18.709 3.266 931 HE2 HIS 113 HE2 HIS 113 2.925 17.975 3.253 932 H HIS 114 H HIS 114 0.620 22.703 -1.822 933 HA HIS 114 HA HIS 114 2.222 24.601 -3.419 934 HB2 HIS 114 2HB HIS 114 0.629 22.233 -4.520 935 HB3 HIS 114 3HB HIS 114 0.945 23.654 -5.508 936 HD1 HIS 114 HD1 HIS 114 3.176 23.821 -6.632 937 HD2 HIS 114 HD2 HIS 114 3.073 20.754 -3.830 938 HE1 HIS 114 HE1 HIS 114 5.351 22.617 -6.875 939 HE2 HIS 114 HE2 HIS 114 5.171 20.659 -5.326 940 H HIS 115 H HIS 115 0.361 25.502 -5.153 941 HA HIS 115 HA HIS 115 -1.776 26.622 -3.482 942 HB2 HIS 115 2HB HIS 115 -2.189 28.153 -5.361 943 HB3 HIS 115 3HB HIS 115 -0.475 28.155 -4.966 944 HD1 HIS 115 HD1 HIS 115 1.124 26.969 -6.705 945 HD2 HIS 115 HD2 HIS 115 -2.797 27.434 -7.982 946 HE1 HIS 115 HE1 HIS 115 1.156 26.547 -9.178 947 HE2 HIS 115 HE2 HIS 115 -1.241 26.694 -9.883 948 H HIS 116 H HIS 116 -3.989 26.735 -4.511 949 HA HIS 116 HA HIS 116 -4.836 24.034 -5.276 950 HB2 HIS 116 2HB HIS 116 -6.445 26.505 -4.474 951 HB3 HIS 116 3HB HIS 116 -7.163 24.952 -4.898 952 HD1 HIS 116 HD1 HIS 116 -5.716 26.803 -2.105 953 HD2 HIS 116 HD2 HIS 116 -6.480 22.828 -3.036 954 HE1 HIS 116 HE1 HIS 116 -5.587 25.553 0.070 955 HE2 HIS 116 HE2 HIS 116 -6.214 23.196 -0.506 956 H HIS 117 H HIS 117 -7.071 24.372 -6.736 957 HA HIS 117 HA HIS 117 -6.019 24.884 -9.385 958 HB2 HIS 117 2HB HIS 117 -8.750 23.868 -8.461 959 HB3 HIS 117 3HB HIS 117 -8.243 23.964 -10.145 960 HD1 HIS 117 HD1 HIS 117 -7.446 21.794 -11.019 961 HD2 HIS 117 HD2 HIS 117 -6.743 22.109 -6.935 962 HE1 HIS 117 HE1 HIS 117 -6.483 19.588 -10.323 963 HE2 HIS 117 HE2 HIS 117 -5.909 19.873 -7.899 Start of MODEL 17 1 H1 MET 1 1H MET 1 -3.040 -21.978 2.317 2 H2 MET 1 2H MET 1 -3.119 -20.421 2.970 3 H3 MET 1 3H MET 1 -2.116 -21.586 3.674 4 HA MET 1 HA MET 1 -1.817 -20.456 0.960 5 HB2 MET 1 2HB MET 1 -0.133 -20.005 3.465 6 HB3 MET 1 3HB MET 1 0.239 -19.367 1.866 7 HG2 MET 1 2HG MET 1 -1.828 -18.018 1.928 8 HG3 MET 1 3HG MET 1 -2.198 -18.669 3.525 9 HE1 MET 1 3HE MET 1 1.316 -17.567 2.051 10 HE2 MET 1 1HE MET 1 1.385 -15.902 2.622 11 HE3 MET 1 2HE MET 1 0.181 -16.372 1.419 12 H ALA 2 H ALA 2 -0.841 -21.866 -0.363 13 HA ALA 2 HA ALA 2 1.041 -23.886 0.692 14 HB1 ALA 2 3HB ALA 2 -1.153 -25.005 0.482 15 HB2 ALA 2 1HB ALA 2 -0.000 -25.641 -0.697 16 HB3 ALA 2 2HB ALA 2 -1.255 -24.510 -1.208 17 H GLY 3 H GLY 3 2.760 -22.733 -0.159 18 HA2 GLY 3 2HA GLY 3 4.413 -22.412 -1.717 19 HA3 GLY 3 3HA GLY 3 3.446 -23.304 -2.880 20 H LYS 4 H LYS 4 4.424 -21.654 -4.318 21 HA LYS 4 HA LYS 4 4.106 -20.078 -5.848 22 HB2 LYS 4 2HB LYS 4 1.349 -20.065 -4.632 23 HB3 LYS 4 3HB LYS 4 1.755 -18.854 -5.849 24 HG2 LYS 4 2HG LYS 4 2.310 -20.584 -7.457 25 HG3 LYS 4 3HG LYS 4 2.019 -21.850 -6.254 26 HD2 LYS 4 2HD LYS 4 -0.377 -21.175 -6.153 27 HD3 LYS 4 3HD LYS 4 -0.072 -19.931 -7.371 28 HE2 LYS 4 2HE LYS 4 0.431 -21.600 -9.042 29 HE3 LYS 4 3HE LYS 4 0.408 -22.892 -7.841 30 HZ1 LYS 4 3HZ LYS 4 -1.615 -22.856 -9.142 31 HZ2 LYS 4 1HZ LYS 4 -1.921 -21.259 -8.675 32 HZ3 LYS 4 2HZ LYS 4 -1.952 -22.495 -7.525 33 H GLU 5 H GLU 5 3.581 -17.748 -6.264 34 HA GLU 5 HA GLU 5 5.050 -16.172 -4.243 35 HB2 GLU 5 2HB GLU 5 5.043 -16.131 -7.285 36 HB3 GLU 5 3HB GLU 5 5.872 -14.918 -6.302 37 HG2 GLU 5 2HG GLU 5 6.480 -17.896 -6.364 38 HG3 GLU 5 3HG GLU 5 7.413 -16.637 -7.168 39 H LEU 6 H LEU 6 3.778 -14.690 -3.294 40 HA LEU 6 HA LEU 6 1.380 -13.610 -4.563 41 HB2 LEU 6 2HB LEU 6 2.612 -13.239 -1.804 42 HB3 LEU 6 3HB LEU 6 1.221 -12.313 -2.344 43 HG LEU 6 HG LEU 6 -0.024 -14.505 -2.662 44 HD11 LEU 6 1HD1 LEU 6 2.264 -15.752 -1.135 45 HD12 LEU 6 2HD1 LEU 6 1.856 -16.051 -2.826 46 HD13 LEU 6 3HD1 LEU 6 0.733 -16.530 -1.557 47 HD21 LEU 6 3HD2 LEU 6 -0.561 -14.809 -0.304 48 HD22 LEU 6 1HD2 LEU 6 -0.431 -13.104 -0.726 49 HD23 LEU 6 2HD2 LEU 6 0.881 -13.896 0.152 50 H ARG 7 H ARG 7 1.770 -12.102 -6.100 51 HA ARG 7 HA ARG 7 4.224 -10.581 -6.206 52 HB2 ARG 7 2HB ARG 7 1.747 -10.387 -7.983 53 HB3 ARG 7 3HB ARG 7 3.329 -9.696 -8.336 54 HG2 ARG 7 2HG ARG 7 4.274 -11.985 -8.495 55 HG3 ARG 7 3HG ARG 7 2.669 -12.656 -8.173 56 HD2 ARG 7 2HD ARG 7 1.792 -11.650 -10.208 57 HD3 ARG 7 3HD ARG 7 3.324 -10.824 -10.507 58 HE ARG 7 HE ARG 7 3.901 -13.529 -10.401 59 HH11 ARG 7 1HH1 ARG 7 1.948 -11.422 -12.422 60 HH12 ARG 7 2HH1 ARG 7 2.117 -12.416 -13.829 61 HH21 ARG 7 1HH2 ARG 7 4.132 -14.813 -12.261 62 HH22 ARG 7 2HH2 ARG 7 3.357 -14.342 -13.737 63 H VAL 8 H VAL 8 4.371 -8.900 -4.726 64 HA VAL 8 HA VAL 8 2.177 -6.889 -4.686 65 HB VAL 8 HB VAL 8 4.233 -7.133 -2.454 66 HG11 VAL 8 1HG1 VAL 8 2.487 -6.006 -1.111 67 HG12 VAL 8 2HG1 VAL 8 1.408 -6.009 -2.507 68 HG13 VAL 8 3HG1 VAL 8 2.901 -5.071 -2.551 69 HG21 VAL 8 3HG2 VAL 8 3.195 -9.368 -2.596 70 HG22 VAL 8 1HG2 VAL 8 1.595 -8.636 -2.484 71 HG23 VAL 8 2HG2 VAL 8 2.709 -8.527 -1.123 72 H GLU 9 H GLU 9 2.843 -5.351 -6.072 73 HA GLU 9 HA GLU 9 5.628 -4.317 -5.971 74 HB2 GLU 9 2HB GLU 9 3.719 -4.355 -8.363 75 HB3 GLU 9 3HB GLU 9 5.377 -3.749 -8.371 76 HG2 GLU 9 2HG GLU 9 6.261 -5.965 -8.000 77 HG3 GLU 9 3HG GLU 9 4.646 -6.628 -7.757 78 H ILE 10 H ILE 10 5.346 -2.589 -4.590 79 HA ILE 10 HA ILE 10 2.934 -0.909 -4.772 80 HB ILE 10 HB ILE 10 5.281 -0.697 -2.816 81 HG12 ILE 10 2HG1 ILE 10 4.192 -2.899 -2.571 82 HG13 ILE 10 3HG1 ILE 10 3.834 -1.889 -1.173 83 HG21 ILE 10 1HG2 ILE 10 3.747 0.656 -1.421 84 HG22 ILE 10 2HG2 ILE 10 2.496 0.522 -2.657 85 HG23 ILE 10 3HG2 ILE 10 3.988 1.394 -3.003 86 HD11 ILE 10 3HD1 ILE 10 1.917 -3.163 -1.907 87 HD12 ILE 10 1HD1 ILE 10 1.985 -2.404 -3.493 88 HD13 ILE 10 2HD1 ILE 10 1.621 -1.434 -2.061 89 H LYS 11 H LYS 11 3.039 0.810 -6.191 90 HA LYS 11 HA LYS 11 5.652 1.848 -7.071 91 HB2 LYS 11 2HB LYS 11 4.073 1.058 -8.788 92 HB3 LYS 11 3HB LYS 11 2.837 2.154 -8.196 93 HG2 LYS 11 2HG LYS 11 3.796 3.035 -10.239 94 HG3 LYS 11 3HG LYS 11 4.219 4.088 -8.885 95 HD2 LYS 11 2HD LYS 11 6.473 3.098 -8.792 96 HD3 LYS 11 3HD LYS 11 6.057 1.979 -10.095 97 HE2 LYS 11 2HE LYS 11 7.392 3.907 -10.900 98 HE3 LYS 11 3HE LYS 11 5.794 3.847 -11.651 99 HZ1 LYS 11 3HZ LYS 11 6.388 6.088 -10.959 100 HZ2 LYS 11 1HZ LYS 11 6.541 5.578 -9.355 101 HZ3 LYS 11 2HZ LYS 11 5.030 5.541 -10.119 102 H ILE 12 H ILE 12 6.380 3.554 -5.924 103 HA ILE 12 HA ILE 12 4.491 5.411 -4.607 104 HB ILE 12 HB ILE 12 7.445 4.862 -4.088 105 HG12 ILE 12 2HG1 ILE 12 5.917 3.079 -3.284 106 HG13 ILE 12 3HG1 ILE 12 6.689 3.910 -1.940 107 HG21 ILE 12 1HG2 ILE 12 5.645 6.835 -2.629 108 HG22 ILE 12 2HG2 ILE 12 7.026 7.240 -3.649 109 HG23 ILE 12 3HG2 ILE 12 7.280 6.382 -2.130 110 HD11 ILE 12 3HD1 ILE 12 3.863 4.309 -2.899 111 HD12 ILE 12 1HD1 ILE 12 4.625 5.174 -1.557 112 HD13 ILE 12 2HD1 ILE 12 4.386 3.430 -1.465 113 H ASP 13 H ASP 13 4.053 7.138 -5.775 114 HA ASP 13 HA ASP 13 6.100 8.445 -7.471 115 HB2 ASP 13 2HB ASP 13 3.052 8.569 -7.526 116 HB3 ASP 13 3HB ASP 13 4.073 9.598 -8.509 117 H CYS 14 H CYS 14 7.143 9.817 -6.072 118 HA CYS 14 HA CYS 14 5.526 11.947 -4.788 119 HB2 CYS 14 2HB CYS 14 8.180 10.893 -3.747 120 HB3 CYS 14 3HB CYS 14 7.149 12.102 -2.986 121 HG CYS 14 HG CYS 14 5.390 9.385 -3.454 122 H GLY 15 H GLY 15 9.018 11.442 -5.501 123 HA2 GLY 15 2HA GLY 15 9.097 14.092 -6.855 124 HA3 GLY 15 3HA GLY 15 10.369 13.478 -5.809 125 H ASN 16 H ASN 16 8.715 11.417 -8.109 126 HA ASN 16 HA ASN 16 10.612 11.667 -10.244 127 HB2 ASN 16 2HB ASN 16 11.665 9.446 -10.069 128 HB3 ASN 16 3HB ASN 16 12.041 10.411 -8.649 129 HD21 ASN 16 1HD2 ASN 16 12.055 7.487 -9.028 130 HD22 ASN 16 2HD2 ASN 16 11.004 6.853 -7.824 131 H ASP 17 H ASP 17 9.882 10.728 -12.100 132 HA ASP 17 HA ASP 17 7.572 8.879 -12.022 133 HB2 ASP 17 2HB ASP 17 6.722 11.154 -12.555 134 HB3 ASP 17 3HB ASP 17 7.870 11.286 -13.884 135 H ASP 18 H ASP 18 9.937 10.401 -14.238 136 HA ASP 18 HA ASP 18 10.365 7.961 -15.764 137 HB2 ASP 18 2HB ASP 18 10.557 10.170 -16.883 138 HB3 ASP 18 3HB ASP 18 11.865 10.626 -15.793 139 H LYS 19 H LYS 19 10.736 6.805 -13.754 140 HA LYS 19 HA LYS 19 13.212 5.926 -13.051 141 HB2 LYS 19 2HB LYS 19 13.586 8.332 -12.211 142 HB3 LYS 19 3HB LYS 19 12.333 8.033 -11.013 143 HG2 LYS 19 2HG LYS 19 13.730 6.160 -10.102 144 HG3 LYS 19 3HG LYS 19 14.995 6.598 -11.257 145 HD2 LYS 19 2HD LYS 19 15.060 8.893 -10.216 146 HD3 LYS 19 3HD LYS 19 13.914 8.327 -8.996 147 HE2 LYS 19 2HE LYS 19 16.173 8.232 -8.087 148 HE3 LYS 19 3HE LYS 19 15.574 6.588 -8.310 149 HZ1 LYS 19 3HZ LYS 19 17.820 6.723 -9.086 150 HZ2 LYS 19 1HZ LYS 19 17.464 8.043 -10.081 151 HZ3 LYS 19 2HZ LYS 19 16.816 6.523 -10.430 152 H GLU 20 H GLU 20 11.927 4.054 -12.964 153 HA GLU 20 HA GLU 20 9.480 3.798 -11.572 154 HB2 GLU 20 2HB GLU 20 9.840 1.311 -11.849 155 HB3 GLU 20 3HB GLU 20 9.934 2.234 -13.341 156 HG2 GLU 20 2HG GLU 20 12.294 1.982 -13.484 157 HG3 GLU 20 3HG GLU 20 12.421 1.446 -11.811 158 H THR 21 H THR 21 9.203 3.873 -9.398 159 HA THR 21 HA THR 21 11.102 2.386 -7.674 160 HB THR 21 HB THR 21 9.437 4.835 -6.928 161 HG1 THR 21 HG1 THR 21 11.767 4.679 -8.085 162 HG21 THR 21 3HG2 THR 21 10.587 4.707 -4.726 163 HG22 THR 21 1HG2 THR 21 11.332 3.184 -5.198 164 HG23 THR 21 2HG2 THR 21 9.579 3.286 -5.000 165 H THR 22 H THR 22 10.138 0.463 -7.531 166 HA THR 22 HA THR 22 7.418 0.310 -6.366 167 HB THR 22 HB THR 22 7.286 -2.027 -7.315 168 HG1 THR 22 HG1 THR 22 9.159 -2.761 -7.983 169 HG21 THR 22 3HG2 THR 22 7.623 0.150 -9.408 170 HG22 THR 22 1HG2 THR 22 6.146 -0.187 -8.495 171 HG23 THR 22 2HG2 THR 22 6.772 -1.378 -9.639 172 H TYR 23 H TYR 23 7.189 -1.031 -4.590 173 HA TYR 23 HA TYR 23 9.651 -2.169 -3.405 174 HB2 TYR 23 2HB TYR 23 6.958 -1.409 -2.165 175 HB3 TYR 23 3HB TYR 23 8.231 -2.250 -1.284 176 HD1 TYR 23 HD1 TYR 23 7.468 0.942 -3.090 177 HD2 TYR 23 HD2 TYR 23 9.996 -1.018 -0.258 178 HE1 TYR 23 HE1 TYR 23 8.492 3.097 -2.514 179 HE2 TYR 23 HE2 TYR 23 11.021 1.137 0.319 180 HH TYR 23 HH TYR 23 11.348 3.367 -0.715 181 H ASP 24 H ASP 24 9.862 -4.276 -3.605 182 HA ASP 24 HA ASP 24 7.595 -5.924 -4.549 183 HB2 ASP 24 2HB ASP 24 10.601 -6.187 -5.013 184 HB3 ASP 24 3HB ASP 24 9.419 -7.393 -5.517 185 H LEU 25 H LEU 25 6.794 -6.721 -2.732 186 HA LEU 25 HA LEU 25 8.544 -8.348 -0.982 187 HB2 LEU 25 2HB LEU 25 7.209 -7.653 0.959 188 HB3 LEU 25 3HB LEU 25 7.978 -6.285 0.188 189 HG LEU 25 HG LEU 25 5.534 -6.098 -1.005 190 HD11 LEU 25 1HD1 LEU 25 3.724 -6.561 0.583 191 HD12 LEU 25 2HD1 LEU 25 4.872 -7.328 1.685 192 HD13 LEU 25 3HD1 LEU 25 4.555 -8.036 0.101 193 HD21 LEU 25 3HD2 LEU 25 6.639 -4.291 0.200 194 HD22 LEU 25 1HD2 LEU 25 6.159 -4.999 1.746 195 HD23 LEU 25 2HD2 LEU 25 4.934 -4.385 0.629 196 H TYR 26 H TYR 26 7.173 -9.919 0.312 197 HA TYR 26 HA TYR 26 4.894 -11.014 -1.213 198 HB2 TYR 26 2HB TYR 26 7.378 -12.546 -0.292 199 HB3 TYR 26 3HB TYR 26 5.902 -13.323 -0.851 200 HD1 TYR 26 HD2 TYR 26 8.817 -11.265 -1.897 201 HD2 TYR 26 HD1 TYR 26 5.371 -13.409 -3.244 202 HE1 TYR 26 HE2 TYR 26 9.597 -11.064 -4.213 203 HE2 TYR 26 HE1 TYR 26 6.155 -13.198 -5.561 204 HH TYR 26 HH TYR 26 9.305 -12.080 -6.364 205 H PHE 27 H PHE 27 3.315 -11.849 0.084 206 HA PHE 27 HA PHE 27 3.472 -11.436 2.951 207 HB2 PHE 27 2HB PHE 27 1.235 -12.741 1.330 208 HB3 PHE 27 3HB PHE 27 1.121 -12.137 2.981 209 HD1 PHE 27 HD1 PHE 27 2.497 -9.468 2.647 210 HD2 PHE 27 HD2 PHE 27 -0.402 -11.444 0.186 211 HE1 PHE 27 HE1 PHE 27 1.718 -7.307 1.804 212 HE2 PHE 27 HE2 PHE 27 -1.160 -9.262 -0.645 213 HZ PHE 27 HZ PHE 27 -0.104 -7.200 0.161 214 H SER 28 H SER 28 4.868 -12.873 3.849 215 HA SER 28 HA SER 28 5.021 -15.665 3.258 216 HB2 SER 28 2HB SER 28 6.920 -14.497 4.250 217 HB3 SER 28 3HB SER 28 5.973 -14.056 5.672 218 HG SER 28 HG SER 28 6.568 -15.889 6.486 219 H LYS 29 H LYS 29 3.815 -13.971 6.170 220 HA LYS 29 HA LYS 29 1.325 -15.462 6.136 221 HB2 LYS 29 2HB LYS 29 3.298 -15.636 8.450 222 HB3 LYS 29 3HB LYS 29 1.572 -15.820 8.730 223 HG2 LYS 29 2HG LYS 29 3.351 -17.604 7.037 224 HG3 LYS 29 3HG LYS 29 2.571 -18.014 8.567 225 HD2 LYS 29 2HD LYS 29 1.163 -17.462 5.911 226 HD3 LYS 29 3HD LYS 29 1.378 -19.042 6.663 227 HE2 LYS 29 2HE LYS 29 -0.120 -18.465 8.468 228 HE3 LYS 29 3HE LYS 29 -0.190 -16.780 7.950 229 HZ1 LYS 29 3HZ LYS 29 -2.161 -17.914 7.261 230 HZ2 LYS 29 1HZ LYS 29 -1.269 -19.114 6.478 231 HZ3 LYS 29 2HZ LYS 29 -1.256 -17.535 5.885 232 H ALA 30 H ALA 30 0.224 -14.562 8.515 233 HA ALA 30 HA ALA 30 -0.762 -12.084 7.605 234 HB1 ALA 30 3HB ALA 30 -2.139 -13.708 8.811 235 HB2 ALA 30 1HB ALA 30 -2.186 -12.125 9.589 236 HB3 ALA 30 2HB ALA 30 -1.210 -13.423 10.283 237 H GLU 31 H GLU 31 0.924 -12.794 10.712 238 HA GLU 31 HA GLU 31 1.113 -10.156 11.624 239 HB2 GLU 31 2HB GLU 31 2.611 -12.691 12.278 240 HB3 GLU 31 3HB GLU 31 3.171 -11.173 12.969 241 HG2 GLU 31 2HG GLU 31 1.725 -12.378 14.527 242 HG3 GLU 31 3HG GLU 31 1.039 -10.823 14.076 243 H GLU 32 H GLU 32 3.268 -12.012 9.595 244 HA GLU 32 HA GLU 32 5.436 -10.188 9.480 245 HB2 GLU 32 2HB GLU 32 4.606 -12.346 7.497 246 HB3 GLU 32 3HB GLU 32 6.184 -11.552 7.548 247 HG2 GLU 32 2HG GLU 32 6.608 -12.495 9.773 248 HG3 GLU 32 3HG GLU 32 5.015 -13.254 9.775 249 H ALA 33 H ALA 33 2.619 -10.784 7.373 250 HA ALA 33 HA ALA 33 3.131 -8.934 5.329 251 HB1 ALA 33 3HB ALA 33 1.417 -10.689 5.118 252 HB2 ALA 33 1HB ALA 33 0.713 -9.096 4.812 253 HB3 ALA 33 2HB ALA 33 0.438 -9.908 6.359 254 H LYS 34 H LYS 34 1.483 -8.564 8.457 255 HA LYS 34 HA LYS 34 0.552 -5.918 8.083 256 HB2 LYS 34 2HB LYS 34 1.160 -7.383 10.683 257 HB3 LYS 34 3HB LYS 34 0.291 -5.851 10.569 258 HG2 LYS 34 2HG LYS 34 -1.453 -7.013 9.192 259 HG3 LYS 34 3HG LYS 34 -0.616 -8.538 9.493 260 HD2 LYS 34 2HD LYS 34 -1.868 -6.720 11.588 261 HD3 LYS 34 3HD LYS 34 -2.518 -8.259 11.026 262 HE2 LYS 34 2HE LYS 34 -0.542 -9.424 11.968 263 HE3 LYS 34 3HE LYS 34 0.094 -7.877 12.533 264 HZ1 LYS 34 3HZ LYS 34 -1.007 -9.009 14.314 265 HZ2 LYS 34 1HZ LYS 34 -2.431 -9.166 13.416 266 HZ3 LYS 34 2HZ LYS 34 -1.905 -7.637 13.907 267 H GLU 35 H GLU 35 3.668 -7.218 9.174 268 HA GLU 35 HA GLU 35 4.721 -4.685 10.006 269 HB2 GLU 35 2HB GLU 35 5.700 -6.861 10.759 270 HB3 GLU 35 3HB GLU 35 6.286 -7.132 9.119 271 HG2 GLU 35 2HG GLU 35 7.675 -5.083 9.272 272 HG3 GLU 35 3HG GLU 35 7.092 -4.811 10.911 273 H LEU 36 H LEU 36 4.925 -6.601 6.950 274 HA LEU 36 HA LEU 36 6.385 -4.813 5.369 275 HB2 LEU 36 2HB LEU 36 4.272 -6.864 4.688 276 HB3 LEU 36 3HB LEU 36 4.846 -5.791 3.432 277 HG LEU 36 HG LEU 36 6.087 -7.739 3.119 278 HD11 LEU 36 1HD1 LEU 36 8.408 -7.179 3.559 279 HD12 LEU 36 2HD1 LEU 36 7.919 -5.943 4.722 280 HD13 LEU 36 3HD1 LEU 36 7.497 -5.773 3.015 281 HD21 LEU 36 3HD2 LEU 36 5.550 -8.912 5.181 282 HD22 LEU 36 1HD2 LEU 36 6.698 -7.917 6.080 283 HD23 LEU 36 2HD2 LEU 36 7.269 -9.021 4.821 284 H LEU 37 H LEU 37 3.029 -4.767 6.303 285 HA LEU 37 HA LEU 37 1.995 -2.773 4.620 286 HB2 LEU 37 2HB LEU 37 0.610 -4.288 5.897 287 HB3 LEU 37 3HB LEU 37 1.248 -3.699 7.408 288 HG LEU 37 HG LEU 37 -0.346 -1.820 5.656 289 HD11 LEU 37 1HD1 LEU 37 -1.529 -3.882 7.536 290 HD12 LEU 37 2HD1 LEU 37 -1.742 -3.806 5.783 291 HD13 LEU 37 3HD1 LEU 37 -2.408 -2.539 6.808 292 HD21 LEU 37 3HD2 LEU 37 -0.006 -2.040 8.675 293 HD22 LEU 37 1HD2 LEU 37 -0.994 -0.831 7.846 294 HD23 LEU 37 2HD2 LEU 37 0.754 -0.841 7.628 295 H LYS 38 H LYS 38 3.354 -2.543 7.936 296 HA LYS 38 HA LYS 38 3.256 0.307 8.012 297 HB2 LYS 38 2HB LYS 38 4.553 -1.745 9.811 298 HB3 LYS 38 3HB LYS 38 4.951 -0.049 10.001 299 HG2 LYS 38 2HG LYS 38 3.236 -0.108 11.505 300 HG3 LYS 38 3HG LYS 38 2.278 0.203 10.062 301 HD2 LYS 38 2HD LYS 38 1.204 -1.537 11.342 302 HD3 LYS 38 3HD LYS 38 1.852 -2.256 9.863 303 HE2 LYS 38 2HE LYS 38 2.280 -3.710 11.787 304 HE3 LYS 38 3HE LYS 38 3.806 -3.099 11.145 305 HZ1 LYS 38 3HZ LYS 38 2.370 -2.141 13.562 306 HZ2 LYS 38 1HZ LYS 38 3.749 -1.399 12.923 307 HZ3 LYS 38 2HZ LYS 38 3.840 -2.979 13.515 308 H LYS 39 H LYS 39 5.695 -2.005 6.884 309 HA LYS 39 HA LYS 39 7.912 -0.247 6.803 310 HB2 LYS 39 2HB LYS 39 7.316 -2.691 5.081 311 HB3 LYS 39 3HB LYS 39 8.846 -1.813 5.034 312 HG2 LYS 39 2HG LYS 39 7.698 -3.225 7.463 313 HG3 LYS 39 3HG LYS 39 8.968 -3.863 6.422 314 HD2 LYS 39 2HD LYS 39 10.481 -2.048 7.101 315 HD3 LYS 39 3HD LYS 39 9.197 -1.291 8.049 316 HE2 LYS 39 2HE LYS 39 10.778 -2.540 9.492 317 HE3 LYS 39 3HE LYS 39 9.152 -3.215 9.574 318 HZ1 LYS 39 3HZ LYS 39 9.866 -4.943 7.997 319 HZ2 LYS 39 1HZ LYS 39 10.765 -4.973 9.430 320 HZ3 LYS 39 2HZ LYS 39 11.438 -4.321 8.022 321 H VAL 40 H VAL 40 5.516 -1.147 4.320 322 HA VAL 40 HA VAL 40 6.296 0.638 2.293 323 HB VAL 40 HB VAL 40 3.617 -0.679 2.911 324 HG11 VAL 40 1HG1 VAL 40 4.285 0.963 0.435 325 HG12 VAL 40 2HG1 VAL 40 3.083 1.368 1.663 326 HG13 VAL 40 3HG1 VAL 40 2.844 -0.042 0.634 327 HG21 VAL 40 3HG2 VAL 40 4.184 -2.122 0.981 328 HG22 VAL 40 1HG2 VAL 40 5.440 -2.190 2.220 329 HG23 VAL 40 2HG2 VAL 40 5.695 -1.236 0.759 330 H ALA 41 H ALA 41 3.952 1.004 4.951 331 HA ALA 41 HA ALA 41 2.881 3.503 4.216 332 HB1 ALA 41 3HB ALA 41 1.788 1.954 5.817 333 HB2 ALA 41 1HB ALA 41 1.959 3.583 6.487 334 HB3 ALA 41 2HB ALA 41 3.053 2.295 6.998 335 H GLU 42 H GLU 42 5.597 2.648 6.329 336 HA GLU 42 HA GLU 42 6.127 5.325 7.220 337 HB2 GLU 42 2HB GLU 42 7.641 2.719 7.594 338 HB3 GLU 42 3HB GLU 42 8.169 4.250 8.294 339 HG2 GLU 42 2HG GLU 42 6.118 4.393 9.620 340 HG3 GLU 42 3HG GLU 42 5.490 2.937 8.844 341 H LYS 43 H LYS 43 7.474 3.189 4.715 342 HA LYS 43 HA LYS 43 9.688 4.846 3.991 343 HB2 LYS 43 2HB LYS 43 8.180 2.736 2.394 344 HB3 LYS 43 3HB LYS 43 9.566 3.605 1.737 345 HG2 LYS 43 2HG LYS 43 9.580 1.802 4.175 346 HG3 LYS 43 3HG LYS 43 10.204 1.393 2.575 347 HD2 LYS 43 2HD LYS 43 11.911 3.209 2.812 348 HD3 LYS 43 3HD LYS 43 11.284 3.568 4.425 349 HE2 LYS 43 2HE LYS 43 11.898 1.297 5.167 350 HE3 LYS 43 3HE LYS 43 12.524 0.931 3.557 351 HZ1 LYS 43 3HZ LYS 43 14.156 2.675 3.835 352 HZ2 LYS 43 1HZ LYS 43 14.280 1.558 5.099 353 HZ3 LYS 43 2HZ LYS 43 13.541 3.058 5.359 354 H ALA 44 H ALA 44 6.363 4.535 2.795 355 HA ALA 44 HA ALA 44 6.436 6.533 0.809 356 HB1 ALA 44 3HB ALA 44 3.962 6.500 0.950 357 HB2 ALA 44 1HB ALA 44 4.059 5.548 2.432 358 HB3 ALA 44 2HB ALA 44 4.629 4.866 0.906 359 H ALA 45 H ALA 45 5.579 6.623 4.274 360 HA ALA 45 HA ALA 45 4.784 9.297 4.486 361 HB1 ALA 45 3HB ALA 45 5.136 9.051 6.902 362 HB2 ALA 45 1HB ALA 45 6.063 7.572 6.629 363 HB3 ALA 45 2HB ALA 45 4.344 7.624 6.229 364 H ASP 46 H ASP 46 7.956 7.796 4.672 365 HA ASP 46 HA ASP 46 9.531 10.048 5.395 366 HB2 ASP 46 2HB ASP 46 10.450 7.827 5.685 367 HB3 ASP 46 3HB ASP 46 10.170 7.427 3.999 368 H LYS 47 H LYS 47 8.484 8.683 2.280 369 HA LYS 47 HA LYS 47 10.025 10.450 0.631 370 HB2 LYS 47 2HB LYS 47 7.603 8.744 -0.076 371 HB3 LYS 47 3HB LYS 47 8.621 9.582 -1.247 372 HG2 LYS 47 2HG LYS 47 9.449 7.317 0.589 373 HG3 LYS 47 3HG LYS 47 9.239 7.236 -1.159 374 HD2 LYS 47 2HD LYS 47 11.174 8.642 -1.530 375 HD3 LYS 47 3HD LYS 47 11.308 9.030 0.187 376 HE2 LYS 47 2HE LYS 47 13.007 7.386 -0.498 377 HE3 LYS 47 3HE LYS 47 11.893 6.691 0.681 378 HZ1 LYS 47 3HZ LYS 47 11.732 6.289 -2.255 379 HZ2 LYS 47 1HZ LYS 47 10.743 5.558 -1.095 380 HZ3 LYS 47 2HZ LYS 47 12.391 5.185 -1.163 381 H ILE 48 H ILE 48 6.818 10.551 2.047 382 HA ILE 48 HA ILE 48 5.801 12.851 0.701 383 HB ILE 48 HB ILE 48 5.100 11.689 3.435 384 HG12 ILE 48 2HG1 ILE 48 3.413 11.450 0.925 385 HG13 ILE 48 3HG1 ILE 48 4.718 10.316 1.233 386 HG21 ILE 48 1HG2 ILE 48 2.976 12.979 3.306 387 HG22 ILE 48 2HG2 ILE 48 3.558 13.774 1.842 388 HG23 ILE 48 3HG2 ILE 48 4.385 14.037 3.377 389 HD11 ILE 48 3HD1 ILE 48 2.532 9.459 1.901 390 HD12 ILE 48 1HD1 ILE 48 2.368 10.773 3.062 391 HD13 ILE 48 2HD1 ILE 48 3.641 9.572 3.263 392 H LYS 49 H LYS 49 7.715 12.320 3.631 393 HA LYS 49 HA LYS 49 7.872 15.008 4.538 394 HB2 LYS 49 2HB LYS 49 8.403 13.152 6.019 395 HB3 LYS 49 3HB LYS 49 9.683 12.597 4.947 396 HG2 LYS 49 2HG LYS 49 11.008 14.608 5.461 397 HG3 LYS 49 3HG LYS 49 9.716 15.202 6.510 398 HD2 LYS 49 2HD LYS 49 10.064 13.446 8.098 399 HD3 LYS 49 3HD LYS 49 11.091 12.533 6.988 400 HE2 LYS 49 2HE LYS 49 12.431 13.622 8.745 401 HE3 LYS 49 3HE LYS 49 12.829 14.271 7.156 402 HZ1 LYS 49 3HZ LYS 49 12.671 16.050 8.713 403 HZ2 LYS 49 1HZ LYS 49 11.137 15.554 9.228 404 HZ3 LYS 49 2HZ LYS 49 11.347 16.165 7.669 405 H LYS 50 H LYS 50 9.612 13.181 2.091 406 HA LYS 50 HA LYS 50 11.601 15.249 1.591 407 HB2 LYS 50 2HB LYS 50 10.984 12.591 0.247 408 HB3 LYS 50 3HB LYS 50 12.235 13.689 -0.343 409 HG2 LYS 50 2HG LYS 50 13.434 13.518 1.783 410 HG3 LYS 50 3HG LYS 50 12.165 12.475 2.439 411 HD2 LYS 50 2HD LYS 50 12.720 10.704 0.902 412 HD3 LYS 50 3HD LYS 50 13.812 11.748 -0.013 413 HE2 LYS 50 2HE LYS 50 15.041 10.169 1.460 414 HE3 LYS 50 3HE LYS 50 15.355 11.850 1.889 415 HZ1 LYS 50 3HZ LYS 50 13.790 11.656 3.710 416 HZ2 LYS 50 1HZ LYS 50 14.982 10.465 3.838 417 HZ3 LYS 50 2HZ LYS 50 13.441 10.058 3.282 418 H GLN 51 H GLN 51 8.507 14.283 0.325 419 HA GLN 51 HA GLN 51 7.927 16.562 -1.194 420 HB2 GLN 51 2HB GLN 51 9.639 15.732 -2.781 421 HB3 GLN 51 3HB GLN 51 8.847 14.167 -2.866 422 HG2 GLN 51 2HG GLN 51 8.453 15.602 -4.868 423 HG3 GLN 51 3HG GLN 51 6.968 15.104 -4.064 424 HE21 GLN 51 1HE2 GLN 51 9.152 17.804 -4.644 425 HE22 GLN 51 2HE2 GLN 51 8.019 19.049 -4.255 426 H GLY 52 H GLY 52 5.765 16.570 -0.874 427 HA2 GLY 52 2HA GLY 52 4.279 14.490 0.235 428 HA3 GLY 52 3HA GLY 52 3.597 15.913 -0.522 429 H CYS 53 H CYS 53 3.668 12.580 -0.652 430 HA CYS 53 HA CYS 53 3.733 12.019 -3.433 431 HB2 CYS 53 2HB CYS 53 2.851 9.801 -2.835 432 HB3 CYS 53 3HB CYS 53 4.121 10.278 -1.713 433 HG CYS 53 HG CYS 53 0.802 10.598 -0.953 434 H LYS 54 H LYS 54 2.416 13.266 -4.620 435 HA LYS 54 HA LYS 54 -0.208 14.063 -3.928 436 HB2 LYS 54 2HB LYS 54 1.120 14.067 -6.668 437 HB3 LYS 54 3HB LYS 54 -0.332 14.959 -6.218 438 HG2 LYS 54 2HG LYS 54 1.061 16.179 -4.479 439 HG3 LYS 54 3HG LYS 54 2.481 15.400 -5.171 440 HD2 LYS 54 2HD LYS 54 2.419 17.556 -6.149 441 HD3 LYS 54 3HD LYS 54 1.825 16.473 -7.404 442 HE2 LYS 54 2HE LYS 54 0.055 18.147 -5.585 443 HE3 LYS 54 3HE LYS 54 0.538 18.615 -7.211 444 HZ1 LYS 54 3HZ LYS 54 -1.144 16.280 -6.470 445 HZ2 LYS 54 1HZ LYS 54 -0.583 16.600 -8.030 446 HZ3 LYS 54 2HZ LYS 54 -1.636 17.677 -7.275 447 H ARG 55 H ARG 55 1.040 11.280 -5.583 448 HA ARG 55 HA ARG 55 -1.551 9.975 -5.474 449 HB2 ARG 55 2HB ARG 55 -1.497 11.052 -7.742 450 HB3 ARG 55 3HB ARG 55 -0.007 10.185 -8.099 451 HG2 ARG 55 2HG ARG 55 -1.199 8.035 -7.986 452 HG3 ARG 55 3HG ARG 55 -2.688 8.871 -7.532 453 HD2 ARG 55 2HD ARG 55 -2.602 10.105 -9.712 454 HD3 ARG 55 3HD ARG 55 -1.204 9.128 -10.167 455 HE ARG 55 HE ARG 55 -2.679 7.157 -10.043 456 HH11 ARG 55 1HH1 ARG 55 -4.232 10.306 -10.398 457 HH12 ARG 55 2HH1 ARG 55 -5.662 9.646 -11.119 458 HH21 ARG 55 1HH2 ARG 55 -4.527 6.332 -11.066 459 HH22 ARG 55 2HH2 ARG 55 -5.825 7.391 -11.502 460 H VAL 56 H VAL 56 -1.204 8.030 -4.674 461 HA VAL 56 HA VAL 56 1.430 6.683 -4.896 462 HB VAL 56 HB VAL 56 -0.840 6.182 -2.897 463 HG11 VAL 56 1HG1 VAL 56 1.979 5.044 -2.938 464 HG12 VAL 56 2HG1 VAL 56 0.501 4.154 -3.304 465 HG13 VAL 56 3HG1 VAL 56 0.777 4.767 -1.673 466 HG21 VAL 56 3HG2 VAL 56 0.623 7.227 -1.192 467 HG22 VAL 56 1HG2 VAL 56 0.197 8.369 -2.470 468 HG23 VAL 56 2HG2 VAL 56 1.799 7.625 -2.448 469 H LYS 57 H LYS 57 1.415 4.503 -5.606 470 HA LYS 57 HA LYS 57 -1.133 3.426 -6.671 471 HB2 LYS 57 2HB LYS 57 1.566 3.368 -8.091 472 HB3 LYS 57 3HB LYS 57 0.088 2.597 -8.672 473 HG2 LYS 57 2HG LYS 57 -0.955 4.886 -8.800 474 HG3 LYS 57 3HG LYS 57 0.622 5.572 -8.381 475 HD2 LYS 57 2HD LYS 57 1.582 4.453 -10.416 476 HD3 LYS 57 3HD LYS 57 -0.044 3.913 -10.849 477 HE2 LYS 57 2HE LYS 57 0.487 5.902 -12.128 478 HE3 LYS 57 3HE LYS 57 -0.749 6.322 -10.942 479 HZ1 LYS 57 3HZ LYS 57 0.971 7.268 -9.539 480 HZ2 LYS 57 1HZ LYS 57 1.003 7.990 -11.069 481 HZ3 LYS 57 2HZ LYS 57 2.164 6.829 -10.652 482 H ILE 58 H ILE 58 -1.336 1.214 -6.589 483 HA ILE 58 HA ILE 58 0.793 -0.463 -5.417 484 HB ILE 58 HB ILE 58 -2.088 -0.256 -4.417 485 HG12 ILE 58 2HG1 ILE 58 0.554 0.035 -2.918 486 HG13 ILE 58 3HG1 ILE 58 -0.518 1.351 -3.381 487 HG21 ILE 58 1HG2 ILE 58 -1.604 -2.636 -4.636 488 HG22 ILE 58 2HG2 ILE 58 -1.671 -2.190 -2.932 489 HG23 ILE 58 3HG2 ILE 58 -0.111 -2.447 -3.715 490 HD11 ILE 58 3HD1 ILE 58 -0.737 0.856 -1.029 491 HD12 ILE 58 1HD1 ILE 58 -1.131 -0.827 -1.377 492 HD13 ILE 58 2HD1 ILE 58 -2.238 0.460 -1.863 493 H ARG 59 H ARG 59 1.068 -2.151 -6.780 494 HA ARG 59 HA ARG 59 -1.234 -3.186 -8.327 495 HB2 ARG 59 2HB ARG 59 0.741 -2.424 -9.716 496 HB3 ARG 59 3HB ARG 59 1.737 -3.630 -8.903 497 HG2 ARG 59 2HG ARG 59 0.230 -5.424 -9.784 498 HG3 ARG 59 3HG ARG 59 -0.696 -4.195 -10.646 499 HD2 ARG 59 2HD ARG 59 1.432 -3.613 -11.895 500 HD3 ARG 59 3HD ARG 59 2.187 -5.019 -11.129 501 HE ARG 59 HE ARG 59 -0.219 -5.216 -12.857 502 HH11 ARG 59 1HH1 ARG 59 2.954 -6.462 -11.943 503 HH12 ARG 59 2HH1 ARG 59 2.883 -7.783 -13.063 504 HH21 ARG 59 1HH2 ARG 59 -0.274 -6.965 -14.317 505 HH22 ARG 59 2HH2 ARG 59 1.065 -8.061 -14.402 506 H PHE 60 H PHE 60 -2.017 -5.047 -7.646 507 HA PHE 60 HA PHE 60 -0.263 -7.225 -6.825 508 HB2 PHE 60 2HB PHE 60 -1.044 -6.140 -4.677 509 HB3 PHE 60 3HB PHE 60 -2.718 -6.426 -5.169 510 HD1 PHE 60 HD1 PHE 60 -3.635 -8.777 -5.198 511 HD2 PHE 60 HD2 PHE 60 0.328 -7.974 -3.843 512 HE1 PHE 60 HE1 PHE 60 -3.507 -11.024 -4.205 513 HE2 PHE 60 HE2 PHE 60 0.446 -10.223 -2.872 514 HZ PHE 60 HZ PHE 60 -1.452 -11.759 -3.049 515 H GLU 61 H GLU 61 -1.078 -9.200 -7.527 516 HA GLU 61 HA GLU 61 -3.456 -9.087 -9.295 517 HB2 GLU 61 2HB GLU 61 -1.047 -10.962 -9.343 518 HB3 GLU 61 3HB GLU 61 -2.404 -11.031 -10.468 519 HG2 GLU 61 2HG GLU 61 -1.852 -8.757 -11.262 520 HG3 GLU 61 3HG GLU 61 -0.485 -8.698 -10.149 521 H LYS 62 H LYS 62 -5.258 -9.941 -8.354 522 HA LYS 62 HA LYS 62 -5.042 -12.403 -6.759 523 HB2 LYS 62 2HB LYS 62 -5.102 -10.166 -5.314 524 HB3 LYS 62 3HB LYS 62 -6.816 -10.191 -5.678 525 HG2 LYS 62 2HG LYS 62 -5.272 -12.388 -4.233 526 HG3 LYS 62 3HG LYS 62 -6.287 -11.173 -3.457 527 HD2 LYS 62 2HD LYS 62 -7.274 -13.306 -5.406 528 HD3 LYS 62 3HD LYS 62 -7.409 -13.392 -3.649 529 HE2 LYS 62 2HE LYS 62 -8.885 -11.452 -3.627 530 HE3 LYS 62 3HE LYS 62 -8.668 -11.220 -5.361 531 HZ1 LYS 62 3HZ LYS 62 -10.772 -12.315 -4.712 532 HZ2 LYS 62 1HZ LYS 62 -9.887 -13.651 -4.170 533 HZ3 LYS 62 2HZ LYS 62 -9.848 -13.218 -5.802 534 H LYS 63 H LYS 63 -6.147 -13.662 -8.245 535 HA LYS 63 HA LYS 63 -9.041 -13.094 -8.521 536 HB2 LYS 63 2HB LYS 63 -7.875 -13.788 -10.617 537 HB3 LYS 63 3HB LYS 63 -7.360 -15.279 -9.831 538 HG2 LYS 63 2HG LYS 63 -9.756 -15.917 -9.541 539 HG3 LYS 63 3HG LYS 63 -10.224 -14.453 -10.410 540 HD2 LYS 63 2HD LYS 63 -8.943 -15.312 -12.400 541 HD3 LYS 63 3HD LYS 63 -8.653 -16.810 -11.506 542 HE2 LYS 63 2HE LYS 63 -11.366 -15.700 -12.326 543 HE3 LYS 63 3HE LYS 63 -10.544 -17.088 -13.036 544 HZ1 LYS 63 3HZ LYS 63 -12.232 -17.810 -11.497 545 HZ2 LYS 63 1HZ LYS 63 -11.556 -16.900 -10.241 546 HZ3 LYS 63 2HZ LYS 63 -10.713 -18.217 -10.882 547 H GLY 64 H GLY 64 -6.743 -15.670 -7.597 548 HA2 GLY 64 2HA GLY 64 -8.073 -16.367 -5.179 549 HA3 GLY 64 3HA GLY 64 -8.508 -17.493 -6.465 550 H LEU 65 H LEU 65 -5.697 -15.991 -4.885 551 HA LEU 65 HA LEU 65 -3.760 -17.926 -5.733 552 HB2 LEU 65 2HB LEU 65 -3.707 -15.891 -3.456 553 HB3 LEU 65 3HB LEU 65 -2.349 -16.932 -3.845 554 HG LEU 65 HG LEU 65 -2.293 -15.881 -6.170 555 HD11 LEU 65 1HD1 LEU 65 -4.574 -15.008 -6.248 556 HD12 LEU 65 2HD1 LEU 65 -3.396 -13.729 -6.523 557 HD13 LEU 65 3HD1 LEU 65 -4.198 -13.867 -4.956 558 HD21 LEU 65 3HD2 LEU 65 -1.139 -13.850 -5.473 559 HD22 LEU 65 1HD2 LEU 65 -0.700 -15.206 -4.439 560 HD23 LEU 65 2HD2 LEU 65 -1.833 -13.982 -3.854 561 H ASP 66 H ASP 66 -5.735 -17.481 -2.898 562 HA ASP 66 HA ASP 66 -5.876 -20.151 -2.042 563 HB2 ASP 66 2HB ASP 66 -3.460 -19.741 -1.436 564 HB3 ASP 66 3HB ASP 66 -3.955 -18.387 -0.427 565 H ASP 67 H ASP 67 -7.152 -20.244 0.006 566 HA ASP 67 HA ASP 67 -9.221 -18.326 0.107 567 HB2 ASP 67 2HB ASP 67 -8.424 -20.509 2.079 568 HB3 ASP 67 3HB ASP 67 -9.906 -19.567 2.223 569 H ASP 68 H ASP 68 -6.353 -18.785 2.095 570 HA ASP 68 HA ASP 68 -7.034 -16.761 4.039 571 HB2 ASP 68 2HB ASP 68 -5.732 -18.753 4.709 572 HB3 ASP 68 3HB ASP 68 -4.439 -18.302 3.601 573 H ALA 69 H ALA 69 -4.547 -17.159 1.501 574 HA ALA 69 HA ALA 69 -3.260 -14.691 1.688 575 HB1 ALA 69 3HB ALA 69 -3.657 -16.397 -0.790 576 HB2 ALA 69 1HB ALA 69 -2.383 -16.604 0.416 577 HB3 ALA 69 2HB ALA 69 -2.424 -15.148 -0.578 578 H ARG 70 H ARG 70 -6.229 -15.539 0.039 579 HA ARG 70 HA ARG 70 -6.742 -13.322 -1.569 580 HB2 ARG 70 2HB ARG 70 -8.028 -15.426 -1.600 581 HB3 ARG 70 3HB ARG 70 -8.665 -15.098 0.000 582 HG2 ARG 70 2HG ARG 70 -9.224 -13.065 -2.117 583 HG3 ARG 70 3HG ARG 70 -10.019 -14.621 -2.286 584 HD2 ARG 70 2HD ARG 70 -10.940 -14.330 0.038 585 HD3 ARG 70 3HD ARG 70 -10.256 -12.698 0.050 586 HE ARG 70 HE ARG 70 -11.727 -12.813 -2.255 587 HH11 ARG 70 1HH1 ARG 70 -12.530 -13.295 1.127 588 HH12 ARG 70 2HH1 ARG 70 -14.169 -12.770 0.926 589 HH21 ARG 70 1HH2 ARG 70 -13.857 -12.135 -2.504 590 HH22 ARG 70 2HH2 ARG 70 -14.922 -12.113 -1.136 591 H LYS 71 H LYS 71 -7.597 -13.924 1.811 592 HA LYS 71 HA LYS 71 -9.006 -11.462 2.192 593 HB2 LYS 71 2HB LYS 71 -9.584 -13.586 3.367 594 HB3 LYS 71 3HB LYS 71 -8.054 -13.505 4.236 595 HG2 LYS 71 2HG LYS 71 -8.773 -11.415 5.332 596 HG3 LYS 71 3HG LYS 71 -10.298 -11.463 4.438 597 HD2 LYS 71 2HD LYS 71 -10.839 -13.635 5.556 598 HD3 LYS 71 3HD LYS 71 -9.346 -13.503 6.490 599 HE2 LYS 71 2HE LYS 71 -11.273 -12.771 7.821 600 HE3 LYS 71 3HE LYS 71 -10.181 -11.420 7.519 601 HZ1 LYS 71 3HZ LYS 71 -12.472 -10.762 7.213 602 HZ2 LYS 71 1HZ LYS 71 -12.709 -11.977 6.060 603 HZ3 LYS 71 2HZ LYS 71 -11.659 -10.694 5.733 604 H LYS 72 H LYS 72 -5.722 -12.609 2.822 605 HA LYS 72 HA LYS 72 -4.938 -10.564 4.632 606 HB2 LYS 72 2HB LYS 72 -3.018 -11.985 2.746 607 HB3 LYS 72 3HB LYS 72 -2.656 -11.265 4.311 608 HG2 LYS 72 2HG LYS 72 -4.008 -13.890 3.687 609 HG3 LYS 72 3HG LYS 72 -2.580 -13.592 4.672 610 HD2 LYS 72 2HD LYS 72 -5.453 -12.901 5.410 611 HD3 LYS 72 3HD LYS 72 -4.518 -14.255 6.040 612 HE2 LYS 72 2HE LYS 72 -2.930 -12.628 7.062 613 HE3 LYS 72 3HE LYS 72 -3.955 -11.307 6.493 614 HZ1 LYS 72 3HZ LYS 72 -4.794 -13.459 8.356 615 HZ2 LYS 72 1HZ LYS 72 -5.759 -12.183 7.813 616 HZ3 LYS 72 2HZ LYS 72 -4.421 -11.869 8.790 617 H ALA 73 H ALA 73 -4.446 -10.991 1.138 618 HA ALA 73 HA ALA 73 -3.136 -8.560 0.588 619 HB1 ALA 73 3HB ALA 73 -4.812 -10.298 -1.247 620 HB2 ALA 73 1HB ALA 73 -3.092 -10.508 -0.902 621 HB3 ALA 73 2HB ALA 73 -3.648 -9.070 -1.758 622 H LYS 74 H LYS 74 -6.540 -9.474 0.593 623 HA LYS 74 HA LYS 74 -7.728 -7.233 -0.543 624 HB2 LYS 74 2HB LYS 74 -9.047 -9.200 -0.172 625 HB3 LYS 74 3HB LYS 74 -8.702 -9.193 1.556 626 HG2 LYS 74 2HG LYS 74 -10.009 -6.994 1.686 627 HG3 LYS 74 3HG LYS 74 -10.519 -7.298 0.023 628 HD2 LYS 74 2HD LYS 74 -11.685 -9.309 0.676 629 HD3 LYS 74 3HD LYS 74 -10.992 -9.258 2.301 630 HE2 LYS 74 2HE LYS 74 -13.326 -8.488 2.361 631 HE3 LYS 74 3HE LYS 74 -12.237 -7.158 2.754 632 HZ1 LYS 74 3HZ LYS 74 -13.524 -7.616 0.114 633 HZ2 LYS 74 1HZ LYS 74 -12.479 -6.340 0.487 634 HZ3 LYS 74 2HZ LYS 74 -13.982 -6.449 1.251 635 H LYS 75 H LYS 75 -7.111 -7.896 2.935 636 HA LYS 75 HA LYS 75 -8.159 -5.369 3.789 637 HB2 LYS 75 2HB LYS 75 -8.199 -7.428 5.232 638 HB3 LYS 75 3HB LYS 75 -6.444 -7.326 5.377 639 HG2 LYS 75 2HG LYS 75 -6.718 -5.046 6.398 640 HG3 LYS 75 3HG LYS 75 -8.466 -5.285 6.355 641 HD2 LYS 75 2HD LYS 75 -8.224 -7.237 7.870 642 HD3 LYS 75 3HD LYS 75 -6.476 -6.981 7.920 643 HE2 LYS 75 2HE LYS 75 -6.854 -4.744 8.919 644 HE3 LYS 75 3HE LYS 75 -8.596 -5.031 8.894 645 HZ1 LYS 75 3HZ LYS 75 -6.733 -6.824 10.313 646 HZ2 LYS 75 1HZ LYS 75 -8.401 -6.688 10.509 647 HZ3 LYS 75 2HZ LYS 75 -7.374 -5.452 11.049 648 H TRP 76 H TRP 76 -4.977 -6.660 3.071 649 HA TRP 76 HA TRP 76 -3.316 -4.984 4.552 650 HB2 TRP 76 2HB TRP 76 -2.636 -7.134 3.467 651 HB3 TRP 76 3HB TRP 76 -2.695 -6.350 1.895 652 HD1 TRP 76 HD1 TRP 76 -0.560 -6.575 5.062 653 HE1 TRP 76 HE1 TRP 76 1.759 -5.597 4.559 654 HE3 TRP 76 HE3 TRP 76 -1.446 -4.617 0.428 655 HZ2 TRP 76 HZ2 TRP 76 3.056 -4.189 2.526 656 HZ3 TRP 76 HZ3 TRP 76 0.386 -3.468 -0.732 657 HH2 TRP 76 HH2 TRP 76 2.603 -3.257 0.298 658 H ALA 77 H ALA 77 -4.155 -4.738 1.082 659 HA ALA 77 HA ALA 77 -2.595 -2.421 0.595 660 HB1 ALA 77 3HB ALA 77 -4.845 -3.595 -1.064 661 HB2 ALA 77 1HB ALA 77 -3.141 -4.051 -1.156 662 HB3 ALA 77 2HB ALA 77 -3.644 -2.426 -1.622 663 H LEU 78 H LEU 78 -5.965 -2.887 1.529 664 HA LEU 78 HA LEU 78 -6.863 -0.192 1.151 665 HB2 LEU 78 2HB LEU 78 -7.910 -2.322 3.061 666 HB3 LEU 78 3HB LEU 78 -8.751 -0.836 2.634 667 HG LEU 78 HG LEU 78 -8.148 -3.163 0.777 668 HD11 LEU 78 1HD1 LEU 78 -9.909 -3.688 2.357 669 HD12 LEU 78 2HD1 LEU 78 -10.578 -3.487 0.741 670 HD13 LEU 78 3HD1 LEU 78 -10.774 -2.204 1.938 671 HD21 LEU 78 3HD2 LEU 78 -9.595 -0.568 0.171 672 HD22 LEU 78 1HD2 LEU 78 -9.498 -1.970 -0.902 673 HD23 LEU 78 2HD2 LEU 78 -8.037 -1.085 -0.482 674 H GLU 79 H GLU 79 -5.472 -2.010 3.853 675 HA GLU 79 HA GLU 79 -5.762 0.051 5.810 676 HB2 GLU 79 2HB GLU 79 -4.468 -2.663 5.748 677 HB3 GLU 79 3HB GLU 79 -4.044 -1.564 7.055 678 HG2 GLU 79 2HG GLU 79 -6.886 -2.375 6.387 679 HG3 GLU 79 3HG GLU 79 -5.882 -3.191 7.587 680 H VAL 80 H VAL 80 -3.169 -0.856 3.581 681 HA VAL 80 HA VAL 80 -1.144 0.848 4.597 682 HB VAL 80 HB VAL 80 -1.707 -0.081 1.742 683 HG11 VAL 80 1HG1 VAL 80 0.772 1.358 2.767 684 HG12 VAL 80 2HG1 VAL 80 -0.408 2.006 1.625 685 HG13 VAL 80 3HG1 VAL 80 0.599 0.633 1.164 686 HG21 VAL 80 3HG2 VAL 80 -1.117 -1.901 3.295 687 HG22 VAL 80 1HG2 VAL 80 0.344 -1.038 3.779 688 HG23 VAL 80 2HG2 VAL 80 0.180 -1.647 2.129 689 H ALA 81 H ALA 81 -3.770 1.327 2.239 690 HA ALA 81 HA ALA 81 -3.399 4.036 1.632 691 HB1 ALA 81 3HB ALA 81 -4.838 2.541 0.300 692 HB2 ALA 81 1HB ALA 81 -5.712 3.993 0.798 693 HB3 ALA 81 2HB ALA 81 -5.989 2.461 1.634 694 H ASN 82 H ASN 82 -5.151 2.452 4.252 695 HA ASN 82 HA ASN 82 -6.454 4.789 5.269 696 HB2 ASN 82 2HB ASN 82 -6.036 1.999 6.410 697 HB3 ASN 82 3HB ASN 82 -6.883 3.253 7.315 698 HD21 ASN 82 1HD2 ASN 82 -7.684 0.646 5.968 699 HD22 ASN 82 2HD2 ASN 82 -9.093 1.065 5.071 700 H LYS 83 H LYS 83 -3.521 2.991 6.259 701 HA LYS 83 HA LYS 83 -2.983 4.315 8.667 702 HB2 LYS 83 2HB LYS 83 -1.090 2.964 6.700 703 HB3 LYS 83 3HB LYS 83 -0.518 3.644 8.224 704 HG2 LYS 83 2HG LYS 83 -2.651 1.493 8.018 705 HG3 LYS 83 3HG LYS 83 -0.935 1.163 8.263 706 HD2 LYS 83 2HD LYS 83 -0.974 2.317 10.415 707 HD3 LYS 83 3HD LYS 83 -2.637 2.847 10.147 708 HE2 LYS 83 2HE LYS 83 -1.797 -0.069 10.379 709 HE3 LYS 83 3HE LYS 83 -2.434 0.894 11.716 710 HZ1 LYS 83 3HZ LYS 83 -3.876 0.276 9.185 711 HZ2 LYS 83 1HZ LYS 83 -4.476 1.228 10.449 712 HZ3 LYS 83 2HZ LYS 83 -4.178 -0.419 10.693 713 H ILE 84 H ILE 84 -1.708 4.938 5.408 714 HA ILE 84 HA ILE 84 -0.221 7.258 6.073 715 HB ILE 84 HB ILE 84 -1.261 6.366 3.344 716 HG12 ILE 84 2HG1 ILE 84 1.512 5.897 4.541 717 HG13 ILE 84 3HG1 ILE 84 0.229 4.705 4.599 718 HG21 ILE 84 1HG2 ILE 84 0.560 7.752 2.393 719 HG22 ILE 84 2HG2 ILE 84 0.982 8.311 4.014 720 HG23 ILE 84 3HG2 ILE 84 -0.581 8.732 3.312 721 HD11 ILE 84 3HD1 ILE 84 1.780 4.212 2.818 722 HD12 ILE 84 1HD1 ILE 84 1.511 5.799 2.099 723 HD13 ILE 84 2HD1 ILE 84 0.200 4.615 2.147 724 H ALA 85 H ALA 85 -3.573 6.776 4.919 725 HA ALA 85 HA ALA 85 -4.298 9.450 4.422 726 HB1 ALA 85 3HB ALA 85 -6.085 7.208 5.433 727 HB2 ALA 85 1HB ALA 85 -5.700 7.542 3.740 728 HB3 ALA 85 2HB ALA 85 -6.629 8.710 4.675 729 H ASN 86 H ASN 86 -4.220 7.600 7.445 730 HA ASN 86 HA ASN 86 -5.402 9.665 9.083 731 HB2 ASN 86 2HB ASN 86 -4.127 6.983 9.675 732 HB3 ASN 86 3HB ASN 86 -4.435 8.115 10.991 733 HD21 ASN 86 1HD2 ASN 86 -5.951 6.103 8.560 734 HD22 ASN 86 2HD2 ASN 86 -7.514 6.096 9.265 735 H GLU 87 H GLU 87 -2.126 8.634 8.244 736 HA GLU 87 HA GLU 87 -0.681 10.132 10.172 737 HB2 GLU 87 2HB GLU 87 0.191 9.241 7.385 738 HB3 GLU 87 3HB GLU 87 1.278 9.884 8.613 739 HG2 GLU 87 2HG GLU 87 -0.253 7.272 8.716 740 HG3 GLU 87 3HG GLU 87 1.478 7.472 8.505 741 H LEU 88 H LEU 88 -1.786 10.874 6.881 742 HA LEU 88 HA LEU 88 -0.533 13.524 6.894 743 HB2 LEU 88 2HB LEU 88 -2.232 12.242 4.726 744 HB3 LEU 88 3HB LEU 88 -1.192 13.648 4.555 745 HG LEU 88 HG LEU 88 -0.351 10.753 4.903 746 HD11 LEU 88 1HD1 LEU 88 0.164 12.706 2.652 747 HD12 LEU 88 2HD1 LEU 88 -1.030 11.405 2.644 748 HD13 LEU 88 3HD1 LEU 88 0.681 11.020 2.731 749 HD21 LEU 88 3HD2 LEU 88 1.159 12.063 6.272 750 HD22 LEU 88 1HD2 LEU 88 1.436 13.205 4.951 751 HD23 LEU 88 2HD2 LEU 88 1.995 11.534 4.817 752 H GLY 89 H GLY 89 -3.661 12.075 7.365 753 HA2 GLY 89 2HA GLY 89 -5.764 12.907 7.700 754 HA3 GLY 89 3HA GLY 89 -5.046 14.491 7.970 755 H ALA 90 H ALA 90 -4.588 12.619 5.023 756 HA ALA 90 HA ALA 90 -5.404 14.939 3.470 757 HB1 ALA 90 3HB ALA 90 -3.222 13.923 2.996 758 HB2 ALA 90 1HB ALA 90 -4.276 13.857 1.585 759 HB3 ALA 90 2HB ALA 90 -4.007 12.406 2.553 760 H LYS 91 H LYS 91 -5.783 11.666 2.155 761 HA LYS 91 HA LYS 91 -8.691 11.880 1.996 762 HB2 LYS 91 2HB LYS 91 -6.928 11.888 -0.500 763 HB3 LYS 91 3HB LYS 91 -8.665 11.608 -0.517 764 HG2 LYS 91 2HG LYS 91 -9.016 13.898 0.370 765 HG3 LYS 91 3HG LYS 91 -7.270 14.171 0.309 766 HD2 LYS 91 2HD LYS 91 -7.282 13.894 -2.133 767 HD3 LYS 91 3HD LYS 91 -9.007 13.499 -2.100 768 HE2 LYS 91 2HE LYS 91 -7.789 16.160 -1.286 769 HE3 LYS 91 3HE LYS 91 -8.628 15.831 -2.802 770 HZ1 LYS 91 3HZ LYS 91 -10.634 15.340 -1.525 771 HZ2 LYS 91 1HZ LYS 91 -10.085 16.912 -1.242 772 HZ3 LYS 91 2HZ LYS 91 -9.828 15.707 -0.086 773 H GLN 92 H GLN 92 -9.456 9.973 0.497 774 HA GLN 92 HA GLN 92 -8.198 7.524 1.520 775 HB2 GLN 92 2HB GLN 92 -10.730 8.191 1.812 776 HB3 GLN 92 3HB GLN 92 -10.910 7.634 0.153 777 HG2 GLN 92 2HG GLN 92 -11.532 5.885 1.761 778 HG3 GLN 92 3HG GLN 92 -10.150 5.388 0.800 779 HE21 GLN 92 1HE2 GLN 92 -8.104 5.200 1.829 780 HE22 GLN 92 2HE2 GLN 92 -7.946 5.146 3.548 781 H SER 93 H SER 93 -9.648 6.015 -0.825 782 HA SER 93 HA SER 93 -7.556 6.431 -2.852 783 HB2 SER 93 2HB SER 93 -6.575 4.899 -1.197 784 HB3 SER 93 3HB SER 93 -7.988 3.846 -1.283 785 HG SER 93 HG SER 93 -6.351 4.447 -3.510 786 H THR 94 H THR 94 -8.009 5.542 -4.883 787 HA THR 94 HA THR 94 -10.675 4.371 -5.376 788 HB THR 94 HB THR 94 -10.082 6.194 -6.898 789 HG1 THR 94 HG1 THR 94 -11.042 4.026 -7.658 790 HG21 THR 94 3HG2 THR 94 -8.194 6.071 -8.488 791 HG22 THR 94 1HG2 THR 94 -7.652 4.570 -7.737 792 HG23 THR 94 2HG2 THR 94 -7.614 6.077 -6.819 793 H THR 95 H THR 95 -10.850 2.204 -5.545 794 HA THR 95 HA THR 95 -8.412 0.530 -5.722 795 HB THR 95 HB THR 95 -9.305 -0.896 -3.873 796 HG1 THR 95 HG1 THR 95 -11.510 0.651 -4.209 797 HG21 THR 95 3HG2 THR 95 -9.044 2.014 -3.033 798 HG22 THR 95 1HG2 THR 95 -7.698 0.895 -3.280 799 HG23 THR 95 2HG2 THR 95 -8.856 0.612 -1.980 800 H THR 96 H THR 96 -8.683 -0.689 -7.512 801 HA THR 96 HA THR 96 -11.183 -2.014 -8.182 802 HB THR 96 HB THR 96 -8.400 -2.669 -9.284 803 HG1 THR 96 HG1 THR 96 -8.496 -0.919 -10.540 804 HG21 THR 96 3HG2 THR 96 -9.670 -3.265 -11.327 805 HG22 THR 96 1HG2 THR 96 -11.181 -2.847 -10.520 806 HG23 THR 96 2HG2 THR 96 -10.221 -4.214 -9.947 807 H THR 97 H THR 97 -11.811 -3.877 -7.065 808 HA THR 97 HA THR 97 -9.795 -5.037 -5.218 809 HB THR 97 HB THR 97 -11.123 -3.496 -3.938 810 HG1 THR 97 HG1 THR 97 -12.239 -6.034 -3.308 811 HG21 THR 97 3HG2 THR 97 -13.593 -4.942 -4.953 812 HG22 THR 97 1HG2 THR 97 -13.114 -3.287 -5.354 813 HG23 THR 97 2HG2 THR 97 -13.584 -3.697 -3.705 814 H ASP 98 H ASP 98 -9.511 -7.145 -5.499 815 HA ASP 98 HA ASP 98 -9.949 -9.265 -4.897 816 HB2 ASP 98 2HB ASP 98 -11.784 -8.358 -3.471 817 HB3 ASP 98 3HB ASP 98 -12.897 -8.524 -4.829 818 H GLY 99 H GLY 99 -11.364 -7.929 -7.742 819 HA2 GLY 99 2HA GLY 99 -12.610 -10.234 -8.854 820 HA3 GLY 99 3HA GLY 99 -12.142 -8.788 -9.715 821 H ASP 100 H ASP 100 -9.767 -8.618 -10.234 822 HA ASP 100 HA ASP 100 -8.620 -11.251 -10.979 823 HB2 ASP 100 2HB ASP 100 -9.784 -10.263 -12.941 824 HB3 ASP 100 3HB ASP 100 -8.839 -8.784 -12.768 825 H THR 101 H THR 101 -7.881 -7.748 -10.969 826 HA THR 101 HA THR 101 -5.344 -8.330 -9.551 827 HB THR 101 HB THR 101 -4.406 -6.239 -10.690 828 HG1 THR 101 HG1 THR 101 -6.457 -5.442 -11.438 829 HG21 THR 101 3HG2 THR 101 -3.782 -7.380 -12.782 830 HG22 THR 101 1HG2 THR 101 -5.080 -8.551 -12.544 831 HG23 THR 101 2HG2 THR 101 -3.719 -8.505 -11.419 832 H PHE 102 H PHE 102 -5.315 -7.461 -7.594 833 HA PHE 102 HA PHE 102 -7.227 -5.467 -6.734 834 HB2 PHE 102 2HB PHE 102 -6.230 -7.546 -5.398 835 HB3 PHE 102 3HB PHE 102 -4.898 -6.458 -5.041 836 HD1 PHE 102 HD1 PHE 102 -5.490 -4.193 -3.887 837 HD2 PHE 102 HD2 PHE 102 -8.207 -7.488 -4.099 838 HE1 PHE 102 HE1 PHE 102 -6.787 -3.258 -2.019 839 HE2 PHE 102 HE2 PHE 102 -9.490 -6.540 -2.240 840 HZ PHE 102 HZ PHE 102 -8.785 -4.426 -1.197 841 H GLU 103 H GLU 103 -6.817 -3.427 -7.340 842 HA GLU 103 HA GLU 103 -4.051 -2.376 -7.547 843 HB2 GLU 103 2HB GLU 103 -5.059 -2.865 -9.764 844 HB3 GLU 103 3HB GLU 103 -6.447 -1.859 -9.369 845 HG2 GLU 103 2HG GLU 103 -4.958 0.133 -9.293 846 HG3 GLU 103 3HG GLU 103 -3.586 -0.889 -9.729 847 H VAL 104 H VAL 104 -3.745 -0.698 -6.173 848 HA VAL 104 HA VAL 104 -6.072 0.888 -5.203 849 HB VAL 104 HB VAL 104 -3.684 -0.132 -3.594 850 HG11 VAL 104 1HG1 VAL 104 -5.998 1.576 -2.619 851 HG12 VAL 104 2HG1 VAL 104 -4.330 2.113 -2.818 852 HG13 VAL 104 3HG1 VAL 104 -4.718 0.894 -1.604 853 HG21 VAL 104 3HG2 VAL 104 -5.342 -1.438 -2.310 854 HG22 VAL 104 1HG2 VAL 104 -5.346 -1.889 -4.015 855 HG23 VAL 104 2HG2 VAL 104 -6.625 -0.857 -3.372 856 H GLU 105 H GLU 105 -5.777 2.828 -6.224 857 HA GLU 105 HA GLU 105 -3.124 4.131 -6.032 858 HB2 GLU 105 2HB GLU 105 -5.470 4.827 -7.850 859 HB3 GLU 105 3HB GLU 105 -3.926 5.678 -7.797 860 HG2 GLU 105 2HG GLU 105 -2.805 3.517 -8.462 861 HG3 GLU 105 3HG GLU 105 -4.407 2.815 -8.699 862 H VAL 106 H VAL 106 -2.935 5.484 -4.386 863 HA VAL 106 HA VAL 106 -5.344 6.410 -2.966 864 HB VAL 106 HB VAL 106 -2.505 6.591 -1.880 865 HG11 VAL 106 1HG1 VAL 106 -3.623 6.448 0.322 866 HG12 VAL 106 2HG1 VAL 106 -5.191 6.312 -0.478 867 HG13 VAL 106 3HG1 VAL 106 -4.251 7.796 -0.631 868 HG21 VAL 106 3HG2 VAL 106 -2.743 4.367 -0.839 869 HG22 VAL 106 1HG2 VAL 106 -2.787 4.246 -2.600 870 HG23 VAL 106 2HG2 VAL 106 -4.284 4.129 -1.668 871 H ILE 107 H ILE 107 -5.972 8.408 -3.549 872 HA ILE 107 HA ILE 107 -4.115 10.306 -4.775 873 HB ILE 107 HB ILE 107 -7.112 10.613 -4.234 874 HG12 ILE 107 2HG1 ILE 107 -6.676 8.666 -5.712 875 HG13 ILE 107 3HG1 ILE 107 -7.479 9.959 -6.593 876 HG21 ILE 107 1HG2 ILE 107 -7.042 12.392 -5.970 877 HG22 ILE 107 2HG2 ILE 107 -5.292 12.200 -6.094 878 HG23 ILE 107 3HG2 ILE 107 -6.010 12.783 -4.592 879 HD11 ILE 107 3HD1 ILE 107 -5.794 8.918 -7.948 880 HD12 ILE 107 1HD1 ILE 107 -4.556 9.231 -6.736 881 HD13 ILE 107 2HD1 ILE 107 -5.311 10.576 -7.597 882 H LEU 108 H LEU 108 -2.807 11.177 -3.189 883 HA LEU 108 HA LEU 108 -4.087 12.373 -0.777 884 HB2 LEU 108 2HB LEU 108 -1.228 11.407 -1.195 885 HB3 LEU 108 3HB LEU 108 -1.857 12.111 0.291 886 HG LEU 108 HG LEU 108 -2.901 9.515 -0.915 887 HD11 LEU 108 1HD1 LEU 108 -1.635 8.332 0.783 888 HD12 LEU 108 2HD1 LEU 108 -0.918 9.847 1.339 889 HD13 LEU 108 3HD1 LEU 108 -0.564 9.239 -0.282 890 HD21 LEU 108 3HD2 LEU 108 -3.937 9.171 1.283 891 HD22 LEU 108 1HD2 LEU 108 -4.521 10.655 0.534 892 HD23 LEU 108 2HD2 LEU 108 -3.329 10.735 1.836 893 H GLU 109 H GLU 109 -4.450 14.460 -1.327 894 HA GLU 109 HA GLU 109 -2.476 15.929 -2.963 895 HB2 GLU 109 2HB GLU 109 -5.384 16.591 -2.347 896 HB3 GLU 109 3HB GLU 109 -4.330 17.490 -3.442 897 HG2 GLU 109 2HG GLU 109 -4.115 15.418 -4.849 898 HG3 GLU 109 3HG GLU 109 -5.286 14.620 -3.800 899 H LEU 110 H LEU 110 -0.975 16.526 -1.435 900 HA LEU 110 HA LEU 110 -1.835 18.328 0.764 901 HB2 LEU 110 2HB LEU 110 0.768 16.781 0.482 902 HB3 LEU 110 3HB LEU 110 0.403 17.909 1.773 903 HG LEU 110 HG LEU 110 -1.593 16.309 2.324 904 HD11 LEU 110 1HD1 LEU 110 -1.276 13.959 1.734 905 HD12 LEU 110 2HD1 LEU 110 0.109 14.384 0.723 906 HD13 LEU 110 3HD1 LEU 110 -1.507 14.949 0.293 907 HD21 LEU 110 3HD2 LEU 110 1.254 15.414 2.864 908 HD22 LEU 110 1HD2 LEU 110 -0.183 14.924 3.768 909 HD23 LEU 110 2HD2 LEU 110 0.340 16.606 3.794 910 H GLU 111 H GLU 111 -1.956 19.494 -1.609 911 HA GLU 111 HA GLU 111 0.310 20.991 -2.434 912 HB2 GLU 111 2HB GLU 111 -2.641 21.800 -2.485 913 HB3 GLU 111 3HB GLU 111 -1.350 22.584 -3.397 914 HG2 GLU 111 2HG GLU 111 -1.001 20.556 -4.716 915 HG3 GLU 111 3HG GLU 111 -2.206 19.693 -3.758 916 H HIS 112 H HIS 112 -2.288 21.610 -0.117 917 HA HIS 112 HA HIS 112 -0.975 23.863 1.161 918 HB2 HIS 112 2HB HIS 112 -3.418 22.278 2.072 919 HB3 HIS 112 3HB HIS 112 -2.904 23.843 2.691 920 HD1 HIS 112 HD1 HIS 112 -5.273 22.414 0.486 921 HD2 HIS 112 HD2 HIS 112 -2.965 25.863 0.409 922 HE1 HIS 112 HE1 HIS 112 -6.408 23.941 -1.142 923 HE2 HIS 112 HE2 HIS 112 -4.916 25.960 -1.279 924 H HIS 113 H HIS 113 1.002 22.801 1.627 925 HA HIS 113 HA HIS 113 1.346 20.385 3.019 926 HB2 HIS 113 2HB HIS 113 3.691 21.045 3.241 927 HB3 HIS 113 3HB HIS 113 3.104 21.498 1.648 928 HD1 HIS 113 HD1 HIS 113 4.962 22.819 4.415 929 HD2 HIS 113 HD2 HIS 113 2.368 24.421 1.592 930 HE1 HIS 113 HE1 HIS 113 5.365 25.298 4.446 931 HE2 HIS 113 HE2 HIS 113 3.850 26.233 2.664 932 H HIS 114 H HIS 114 1.097 19.871 5.102 933 HA HIS 114 HA HIS 114 0.863 19.886 7.337 934 HB2 HIS 114 2HB HIS 114 3.178 20.847 7.254 935 HB3 HIS 114 3HB HIS 114 2.496 22.470 7.264 936 HD1 HIS 114 HD1 HIS 114 2.572 19.363 9.472 937 HD2 HIS 114 HD2 HIS 114 2.229 23.493 9.819 938 HE1 HIS 114 HE1 HIS 114 2.451 19.836 11.932 939 HE2 HIS 114 HE2 HIS 114 2.384 22.340 12.117 940 H HIS 115 H HIS 115 -0.996 21.680 5.515 941 HA HIS 115 HA HIS 115 -2.145 23.605 7.314 942 HB2 HIS 115 2HB HIS 115 -2.373 23.816 4.851 943 HB3 HIS 115 3HB HIS 115 -3.346 22.354 4.802 944 HD1 HIS 115 HD1 HIS 115 -3.492 25.985 5.693 945 HD2 HIS 115 HD2 HIS 115 -6.040 22.702 5.611 946 HE1 HIS 115 HE1 HIS 115 -5.804 26.914 5.968 947 HE2 HIS 115 HE2 HIS 115 -7.329 24.932 5.696 948 H HIS 116 H HIS 116 -2.527 22.565 9.201 949 HA HIS 116 HA HIS 116 -4.443 20.311 9.337 950 HB2 HIS 116 2HB HIS 116 -2.307 19.820 10.376 951 HB3 HIS 116 3HB HIS 116 -2.311 21.347 11.246 952 HD1 HIS 116 HD1 HIS 116 -2.712 20.971 13.643 953 HD2 HIS 116 HD2 HIS 116 -4.807 18.235 11.314 954 HE1 HIS 116 HE1 HIS 116 -3.953 19.500 15.263 955 HE2 HIS 116 HE2 HIS 116 -5.062 17.751 13.830 956 H HIS 117 H HIS 117 -3.926 23.633 10.161 957 HA HIS 117 HA HIS 117 -5.110 25.286 11.110 958 HB2 HIS 117 2HB HIS 117 -7.025 24.717 9.758 959 HB3 HIS 117 3HB HIS 117 -7.421 23.340 10.777 960 HD1 HIS 117 HD1 HIS 117 -8.810 23.775 12.873 961 HD2 HIS 117 HD2 HIS 117 -7.804 27.257 10.842 962 HE1 HIS 117 HE1 HIS 117 -10.252 25.578 13.864 963 HE2 HIS 117 HE2 HIS 117 -9.518 27.695 12.712 Start of MODEL 18 1 H1 MET 1 1H MET 1 11.088 -16.144 6.679 2 H2 MET 1 2H MET 1 10.052 -17.261 5.945 3 H3 MET 1 3H MET 1 10.295 -15.749 5.238 4 HA MET 1 HA MET 1 12.577 -16.248 4.807 5 HB2 MET 1 2HB MET 1 12.967 -17.771 6.729 6 HB3 MET 1 3HB MET 1 11.915 -18.977 6.000 7 HG2 MET 1 2HG MET 1 13.494 -19.224 4.127 8 HG3 MET 1 3HG MET 1 14.542 -18.006 4.848 9 HE1 MET 1 3HE MET 1 14.595 -18.694 7.947 10 HE2 MET 1 1HE MET 1 16.064 -18.432 7.003 11 HE3 MET 1 2HE MET 1 15.914 -19.861 8.024 12 H ALA 2 H ALA 2 10.056 -18.776 4.551 13 HA ALA 2 HA ALA 2 10.576 -19.305 1.766 14 HB1 ALA 2 3HB ALA 2 8.243 -20.152 3.520 15 HB2 ALA 2 1HB ALA 2 9.728 -21.069 3.256 16 HB3 ALA 2 2HB ALA 2 8.613 -20.791 1.916 17 H GLY 3 H GLY 3 10.250 -17.546 0.502 18 HA2 GLY 3 2HA GLY 3 8.099 -15.673 0.745 19 HA3 GLY 3 3HA GLY 3 9.244 -15.788 -0.581 20 H LYS 4 H LYS 4 6.062 -16.416 0.408 21 HA LYS 4 HA LYS 4 5.324 -18.415 -1.470 22 HB2 LYS 4 2HB LYS 4 4.106 -17.738 0.689 23 HB3 LYS 4 3HB LYS 4 3.488 -16.343 -0.188 24 HG2 LYS 4 2HG LYS 4 2.329 -17.822 -1.763 25 HG3 LYS 4 3HG LYS 4 2.996 -19.242 -0.948 26 HD2 LYS 4 2HD LYS 4 1.766 -18.627 1.126 27 HD3 LYS 4 3HD LYS 4 1.104 -17.205 0.312 28 HE2 LYS 4 2HE LYS 4 -0.041 -18.671 -1.311 29 HE3 LYS 4 3HE LYS 4 0.628 -20.090 -0.500 30 HZ1 LYS 4 3HZ LYS 4 -1.207 -18.113 0.746 31 HZ2 LYS 4 1HZ LYS 4 -0.591 -19.501 1.486 32 HZ3 LYS 4 2HZ LYS 4 -1.649 -19.644 0.178 33 H GLU 5 H GLU 5 3.807 -17.981 -3.348 34 HA GLU 5 HA GLU 5 5.271 -16.143 -5.051 35 HB2 GLU 5 2HB GLU 5 4.272 -17.331 -6.948 36 HB3 GLU 5 3HB GLU 5 4.982 -18.455 -5.810 37 HG2 GLU 5 2HG GLU 5 2.012 -17.873 -5.916 38 HG3 GLU 5 3HG GLU 5 2.782 -19.156 -6.842 39 H LEU 6 H LEU 6 3.214 -15.070 -3.179 40 HA LEU 6 HA LEU 6 1.343 -13.688 -4.949 41 HB2 LEU 6 2HB LEU 6 1.854 -13.589 -1.951 42 HB3 LEU 6 3HB LEU 6 0.790 -12.445 -2.753 43 HG LEU 6 HG LEU 6 -0.716 -14.282 -3.434 44 HD11 LEU 6 1HD1 LEU 6 0.845 -16.133 -3.643 45 HD12 LEU 6 2HD1 LEU 6 -0.470 -16.554 -2.550 46 HD13 LEU 6 3HD1 LEU 6 1.117 -16.135 -1.899 47 HD21 LEU 6 3HD2 LEU 6 -1.632 -14.795 -1.226 48 HD22 LEU 6 1HD2 LEU 6 -1.124 -13.110 -1.326 49 HD23 LEU 6 2HD2 LEU 6 -0.123 -14.284 -0.464 50 H ARG 7 H ARG 7 2.487 -12.329 -6.246 51 HA ARG 7 HA ARG 7 4.763 -10.813 -5.326 52 HB2 ARG 7 2HB ARG 7 4.732 -11.657 -7.626 53 HB3 ARG 7 3HB ARG 7 3.266 -10.745 -7.979 54 HG2 ARG 7 2HG ARG 7 4.479 -8.626 -7.707 55 HG3 ARG 7 3HG ARG 7 5.935 -9.495 -7.226 56 HD2 ARG 7 2HD ARG 7 4.604 -9.651 -9.944 57 HD3 ARG 7 3HD ARG 7 6.058 -8.731 -9.563 58 HE ARG 7 HE ARG 7 7.174 -10.864 -9.086 59 HH11 ARG 7 1HH1 ARG 7 4.229 -11.045 -11.013 60 HH12 ARG 7 2HH1 ARG 7 4.668 -12.557 -11.742 61 HH21 ARG 7 1HH2 ARG 7 7.737 -12.822 -10.054 62 HH22 ARG 7 2HH2 ARG 7 6.664 -13.567 -11.198 63 H VAL 8 H VAL 8 4.426 -9.122 -4.035 64 HA VAL 8 HA VAL 8 2.163 -7.283 -4.538 65 HB VAL 8 HB VAL 8 3.849 -7.143 -2.016 66 HG11 VAL 8 1HG1 VAL 8 1.777 -6.240 -1.040 67 HG12 VAL 8 2HG1 VAL 8 0.935 -6.498 -2.569 68 HG13 VAL 8 3HG1 VAL 8 2.263 -5.341 -2.478 69 HG21 VAL 8 3HG2 VAL 8 2.329 -8.689 -0.813 70 HG22 VAL 8 1HG2 VAL 8 3.246 -9.510 -2.079 71 HG23 VAL 8 2HG2 VAL 8 1.553 -9.108 -2.340 72 H GLU 9 H GLU 9 2.872 -5.664 -5.850 73 HA GLU 9 HA GLU 9 5.551 -4.460 -5.395 74 HB2 GLU 9 2HB GLU 9 3.888 -4.604 -7.950 75 HB3 GLU 9 3HB GLU 9 5.337 -3.617 -7.783 76 HG2 GLU 9 2HG GLU 9 6.689 -5.624 -7.386 77 HG3 GLU 9 3HG GLU 9 5.255 -6.625 -7.502 78 H ILE 10 H ILE 10 5.065 -2.818 -3.949 79 HA ILE 10 HA ILE 10 2.741 -1.088 -4.465 80 HB ILE 10 HB ILE 10 4.778 -0.755 -2.211 81 HG12 ILE 10 2HG1 ILE 10 3.808 -3.036 -2.057 82 HG13 ILE 10 3HG1 ILE 10 3.260 -2.026 -0.728 83 HG21 ILE 10 1HG2 ILE 10 2.939 0.492 -1.096 84 HG22 ILE 10 2HG2 ILE 10 1.916 0.254 -2.514 85 HG23 ILE 10 3HG2 ILE 10 3.384 1.225 -2.638 86 HD11 ILE 10 3HD1 ILE 10 1.687 -2.786 -3.178 87 HD12 ILE 10 1HD1 ILE 10 1.113 -1.719 -1.892 88 HD13 ILE 10 2HD1 ILE 10 1.479 -3.408 -1.542 89 H LYS 11 H LYS 11 3.031 0.560 -5.826 90 HA LYS 11 HA LYS 11 5.707 1.500 -6.533 91 HB2 LYS 11 2HB LYS 11 3.912 0.731 -8.233 92 HB3 LYS 11 3HB LYS 11 3.071 2.234 -7.899 93 HG2 LYS 11 2HG LYS 11 5.937 2.137 -8.898 94 HG3 LYS 11 3HG LYS 11 4.551 2.167 -9.984 95 HD2 LYS 11 2HD LYS 11 3.867 4.358 -9.105 96 HD3 LYS 11 3HD LYS 11 5.187 4.325 -7.931 97 HE2 LYS 11 2HE LYS 11 5.740 5.761 -9.847 98 HE3 LYS 11 3HE LYS 11 6.829 4.376 -9.768 99 HZ1 LYS 11 3HZ LYS 11 6.017 4.891 -12.031 100 HZ2 LYS 11 1HZ LYS 11 4.443 4.524 -11.533 101 HZ3 LYS 11 2HZ LYS 11 5.631 3.320 -11.536 102 H ILE 12 H ILE 12 6.431 3.147 -5.377 103 HA ILE 12 HA ILE 12 4.685 5.278 -4.389 104 HB ILE 12 HB ILE 12 7.703 4.974 -3.984 105 HG12 ILE 12 2HG1 ILE 12 6.625 2.993 -3.024 106 HG13 ILE 12 3HG1 ILE 12 7.143 4.043 -1.712 107 HG21 ILE 12 1HG2 ILE 12 6.892 7.257 -3.613 108 HG22 ILE 12 2HG2 ILE 12 7.355 6.524 -2.078 109 HG23 ILE 12 3HG2 ILE 12 5.649 6.666 -2.506 110 HD11 ILE 12 3HD1 ILE 12 4.797 4.845 -1.505 111 HD12 ILE 12 1HD1 ILE 12 4.993 3.118 -1.210 112 HD13 ILE 12 2HD1 ILE 12 4.333 3.676 -2.744 113 H ASP 13 H ASP 13 4.291 6.850 -5.740 114 HA ASP 13 HA ASP 13 6.130 7.547 -7.942 115 HB2 ASP 13 2HB ASP 13 3.908 6.722 -8.626 116 HB3 ASP 13 3HB ASP 13 3.123 7.932 -7.626 117 H CYS 14 H CYS 14 7.276 9.351 -7.545 118 HA CYS 14 HA CYS 14 6.180 11.597 -6.003 119 HB2 CYS 14 2HB CYS 14 7.235 10.036 -4.359 120 HB3 CYS 14 3HB CYS 14 8.762 10.166 -5.228 121 HG CYS 14 HG CYS 14 9.342 11.780 -3.233 122 H GLY 15 H GLY 15 7.603 13.501 -6.087 123 HA2 GLY 15 2HA GLY 15 9.431 13.594 -8.435 124 HA3 GLY 15 3HA GLY 15 8.331 14.904 -8.002 125 H ASN 16 H ASN 16 10.772 12.863 -6.385 126 HA ASN 16 HA ASN 16 11.923 15.237 -5.039 127 HB2 ASN 16 2HB ASN 16 10.227 14.104 -3.575 128 HB3 ASN 16 3HB ASN 16 11.148 12.618 -3.677 129 HD21 ASN 16 1HD2 ASN 16 12.818 12.325 -2.270 130 HD22 ASN 16 2HD2 ASN 16 13.324 13.488 -1.095 131 H ASP 17 H ASP 17 12.837 13.671 -7.334 132 HA ASP 17 HA ASP 17 14.807 12.971 -8.228 133 HB2 ASP 17 2HB ASP 17 15.804 14.827 -6.933 134 HB3 ASP 17 3HB ASP 17 15.916 13.816 -5.505 135 H ASP 18 H ASP 18 13.087 11.271 -6.158 136 HA ASP 18 HA ASP 18 14.834 9.202 -5.210 137 HB2 ASP 18 2HB ASP 18 11.791 9.395 -5.347 138 HB3 ASP 18 3HB ASP 18 12.620 7.993 -4.684 139 H LYS 19 H LYS 19 13.190 9.808 -8.174 140 HA LYS 19 HA LYS 19 12.689 8.671 -10.051 141 HB2 LYS 19 2HB LYS 19 15.001 7.744 -9.911 142 HB3 LYS 19 3HB LYS 19 14.432 6.447 -8.875 143 HG2 LYS 19 2HG LYS 19 13.046 5.609 -10.793 144 HG3 LYS 19 3HG LYS 19 13.777 6.844 -11.818 145 HD2 LYS 19 2HD LYS 19 15.269 4.613 -10.379 146 HD3 LYS 19 3HD LYS 19 14.879 4.645 -12.098 147 HE2 LYS 19 2HE LYS 19 16.685 6.641 -10.680 148 HE3 LYS 19 3HE LYS 19 17.224 5.294 -11.680 149 HZ1 LYS 19 3HZ LYS 19 17.182 7.427 -12.878 150 HZ2 LYS 19 1HZ LYS 19 15.509 7.511 -12.660 151 HZ3 LYS 19 2HZ LYS 19 16.177 6.267 -13.582 152 H GLU 20 H GLU 20 11.393 6.576 -10.759 153 HA GLU 20 HA GLU 20 9.234 5.961 -9.079 154 HB2 GLU 20 2HB GLU 20 8.878 4.000 -10.644 155 HB3 GLU 20 3HB GLU 20 9.051 5.549 -11.457 156 HG2 GLU 20 2HG GLU 20 11.409 5.002 -11.995 157 HG3 GLU 20 3HG GLU 20 11.218 3.437 -11.209 158 H THR 21 H THR 21 9.208 4.832 -7.222 159 HA THR 21 HA THR 21 11.353 2.865 -6.621 160 HB THR 21 HB THR 21 10.888 3.620 -4.150 161 HG1 THR 21 HG1 THR 21 9.993 5.966 -5.513 162 HG21 THR 21 3HG2 THR 21 13.033 4.099 -5.272 163 HG22 THR 21 1HG2 THR 21 12.528 5.461 -4.268 164 HG23 THR 21 2HG2 THR 21 12.330 5.538 -6.019 165 H THR 22 H THR 22 10.377 0.955 -6.854 166 HA THR 22 HA THR 22 7.702 0.519 -5.653 167 HB THR 22 HB THR 22 8.835 -1.223 -7.892 168 HG1 THR 22 HG1 THR 22 7.811 1.377 -8.064 169 HG21 THR 22 3HG2 THR 22 5.992 -0.538 -7.065 170 HG22 THR 22 1HG2 THR 22 6.841 -2.031 -6.651 171 HG23 THR 22 2HG2 THR 22 6.465 -1.665 -8.334 172 H TYR 23 H TYR 23 7.515 -1.182 -4.236 173 HA TYR 23 HA TYR 23 10.020 -2.515 -3.414 174 HB2 TYR 23 2HB TYR 23 7.476 -1.895 -1.827 175 HB3 TYR 23 3HB TYR 23 8.867 -2.776 -1.192 176 HD1 TYR 23 HD2 TYR 23 11.155 -1.567 -1.184 177 HD2 TYR 23 HD1 TYR 23 7.457 0.517 -1.717 178 HE1 TYR 23 HE2 TYR 23 12.264 0.553 -0.610 179 HE2 TYR 23 HE1 TYR 23 8.573 2.635 -1.150 180 HH TYR 23 HH TYR 23 11.908 3.013 -1.079 181 H ASP 24 H ASP 24 10.186 -4.632 -3.685 182 HA ASP 24 HA ASP 24 7.851 -6.263 -4.452 183 HB2 ASP 24 2HB ASP 24 10.825 -6.950 -4.494 184 HB3 ASP 24 3HB ASP 24 9.525 -7.993 -5.068 185 H LEU 25 H LEU 25 6.847 -6.615 -2.597 186 HA LEU 25 HA LEU 25 8.226 -8.175 -0.490 187 HB2 LEU 25 2HB LEU 25 6.332 -7.464 1.015 188 HB3 LEU 25 3HB LEU 25 7.436 -6.182 0.571 189 HG LEU 25 HG LEU 25 4.799 -6.511 -0.896 190 HD11 LEU 25 1HD1 LEU 25 3.758 -4.904 0.626 191 HD12 LEU 25 2HD1 LEU 25 5.196 -4.919 1.651 192 HD13 LEU 25 3HD1 LEU 25 4.217 -6.377 1.477 193 HD21 LEU 25 3HD2 LEU 25 6.531 -4.071 -0.392 194 HD22 LEU 25 1HD2 LEU 25 5.035 -4.117 -1.330 195 HD23 LEU 25 2HD2 LEU 25 6.454 -4.988 -1.899 196 H TYR 26 H TYR 26 6.769 -9.796 0.525 197 HA TYR 26 HA TYR 26 4.901 -11.025 -1.403 198 HB2 TYR 26 2HB TYR 26 7.186 -12.450 0.042 199 HB3 TYR 26 3HB TYR 26 5.957 -13.246 -0.936 200 HD1 TYR 26 HD1 TYR 26 5.865 -12.784 -3.433 201 HD2 TYR 26 HD2 TYR 26 9.102 -11.390 -1.003 202 HE1 TYR 26 HE1 TYR 26 7.210 -12.366 -5.448 203 HE2 TYR 26 HE2 TYR 26 10.441 -10.980 -3.025 204 HH TYR 26 HH TYR 26 10.533 -11.774 -5.371 205 H PHE 27 H PHE 27 3.049 -11.368 -0.434 206 HA PHE 27 HA PHE 27 2.737 -11.632 2.413 207 HB2 PHE 27 2HB PHE 27 0.977 -10.571 1.036 208 HB3 PHE 27 3HB PHE 27 0.744 -12.066 0.145 209 HD1 PHE 27 HD1 PHE 27 -0.156 -14.138 1.482 210 HD2 PHE 27 HD2 PHE 27 -0.268 -10.153 3.021 211 HE1 PHE 27 HE1 PHE 27 -1.841 -14.824 3.135 212 HE2 PHE 27 HE2 PHE 27 -1.951 -10.863 4.681 213 HZ PHE 27 HZ PHE 27 -2.723 -13.195 4.738 214 H SER 28 H SER 28 4.207 -13.308 2.738 215 HA SER 28 HA SER 28 3.527 -16.034 1.963 216 HB2 SER 28 2HB SER 28 5.602 -15.028 3.958 217 HB3 SER 28 3HB SER 28 5.521 -16.638 3.240 218 HG SER 28 HG SER 28 6.982 -14.846 2.329 219 H LYS 29 H LYS 29 2.818 -13.753 4.400 220 HA LYS 29 HA LYS 29 1.002 -15.401 5.866 221 HB2 LYS 29 2HB LYS 29 3.273 -16.110 6.772 222 HB3 LYS 29 3HB LYS 29 3.535 -14.456 7.295 223 HG2 LYS 29 2HG LYS 29 1.590 -14.655 8.826 224 HG3 LYS 29 3HG LYS 29 1.392 -16.340 8.325 225 HD2 LYS 29 2HD LYS 29 3.704 -16.828 9.159 226 HD3 LYS 29 3HD LYS 29 3.837 -15.155 9.714 227 HE2 LYS 29 2HE LYS 29 3.263 -16.600 11.588 228 HE3 LYS 29 3HE LYS 29 1.900 -15.538 11.232 229 HZ1 LYS 29 3HZ LYS 29 2.143 -18.370 10.357 230 HZ2 LYS 29 1HZ LYS 29 0.818 -17.358 10.073 231 HZ3 LYS 29 2HZ LYS 29 1.209 -17.822 11.650 232 H ALA 30 H ALA 30 -0.172 -14.044 7.474 233 HA ALA 30 HA ALA 30 -0.522 -11.349 6.514 234 HB1 ALA 30 3HB ALA 30 -2.417 -11.263 8.085 235 HB2 ALA 30 1HB ALA 30 -1.901 -12.790 8.814 236 HB3 ALA 30 2HB ALA 30 -2.451 -12.749 7.139 237 H GLU 31 H GLU 31 0.926 -12.859 9.339 238 HA GLU 31 HA GLU 31 1.365 -10.514 10.897 239 HB2 GLU 31 2HB GLU 31 1.426 -12.868 11.799 240 HB3 GLU 31 3HB GLU 31 2.931 -13.139 10.927 241 HG2 GLU 31 2HG GLU 31 4.025 -11.382 12.268 242 HG3 GLU 31 3HG GLU 31 2.517 -11.097 13.137 243 H GLU 32 H GLU 32 3.311 -12.337 8.534 244 HA GLU 32 HA GLU 32 5.605 -10.711 8.454 245 HB2 GLU 32 2HB GLU 32 4.316 -12.413 6.274 246 HB3 GLU 32 3HB GLU 32 5.874 -11.609 6.081 247 HG2 GLU 32 2HG GLU 32 6.737 -12.897 8.046 248 HG3 GLU 32 3HG GLU 32 5.201 -13.761 8.104 249 H ALA 33 H ALA 33 2.620 -10.619 6.527 250 HA ALA 33 HA ALA 33 3.155 -8.485 4.830 251 HB1 ALA 33 3HB ALA 33 1.235 -9.989 4.550 252 HB2 ALA 33 1HB ALA 33 0.714 -8.304 4.562 253 HB3 ALA 33 2HB ALA 33 0.472 -9.315 5.991 254 H LYS 34 H LYS 34 1.940 -8.523 8.162 255 HA LYS 34 HA LYS 34 1.207 -5.821 8.446 256 HB2 LYS 34 2HB LYS 34 0.462 -7.544 9.999 257 HB3 LYS 34 3HB LYS 34 2.101 -7.893 10.506 258 HG2 LYS 34 2HG LYS 34 1.001 -5.123 10.975 259 HG3 LYS 34 3HG LYS 34 0.451 -6.433 12.011 260 HD2 LYS 34 2HD LYS 34 3.343 -5.552 11.642 261 HD3 LYS 34 3HD LYS 34 2.325 -5.205 13.038 262 HE2 LYS 34 2HE LYS 34 2.165 -7.650 13.497 263 HE3 LYS 34 3HE LYS 34 3.261 -7.953 12.144 264 HZ1 LYS 34 3HZ LYS 34 3.932 -6.301 14.526 265 HZ2 LYS 34 1HZ LYS 34 4.985 -6.731 13.277 266 HZ3 LYS 34 2HZ LYS 34 4.386 -7.914 14.321 267 H GLU 35 H GLU 35 4.356 -7.434 8.938 268 HA GLU 35 HA GLU 35 5.750 -5.155 9.959 269 HB2 GLU 35 2HB GLU 35 6.638 -7.441 10.251 270 HB3 GLU 35 3HB GLU 35 6.828 -7.608 8.506 271 HG2 GLU 35 2HG GLU 35 8.412 -5.631 8.587 272 HG3 GLU 35 3HG GLU 35 8.338 -5.723 10.344 273 H LEU 36 H LEU 36 5.560 -6.655 6.739 274 HA LEU 36 HA LEU 36 7.056 -4.809 5.260 275 HB2 LEU 36 2HB LEU 36 4.875 -6.778 4.539 276 HB3 LEU 36 3HB LEU 36 5.484 -5.678 3.324 277 HG LEU 36 HG LEU 36 6.607 -7.733 2.987 278 HD11 LEU 36 1HD1 LEU 36 8.561 -5.899 4.429 279 HD12 LEU 36 2HD1 LEU 36 8.040 -5.760 2.747 280 HD13 LEU 36 3HD1 LEU 36 8.972 -7.161 3.262 281 HD21 LEU 36 3HD2 LEU 36 7.396 -7.809 5.920 282 HD22 LEU 36 1HD2 LEU 36 7.901 -8.957 4.671 283 HD23 LEU 36 2HD2 LEU 36 6.202 -8.837 5.121 284 H LEU 37 H LEU 37 3.724 -4.773 6.277 285 HA LEU 37 HA LEU 37 2.636 -2.712 4.717 286 HB2 LEU 37 2HB LEU 37 1.179 -4.149 5.926 287 HB3 LEU 37 3HB LEU 37 1.992 -3.879 7.445 288 HG LEU 37 HG LEU 37 0.507 -1.538 6.220 289 HD11 LEU 37 1HD1 LEU 37 -1.094 -3.385 5.980 290 HD12 LEU 37 2HD1 LEU 37 -1.613 -2.263 7.234 291 HD13 LEU 37 3HD1 LEU 37 -0.888 -3.810 7.682 292 HD21 LEU 37 3HD2 LEU 37 0.040 -0.988 8.589 293 HD22 LEU 37 1HD2 LEU 37 1.772 -1.188 8.316 294 HD23 LEU 37 2HD2 LEU 37 0.853 -2.471 9.101 295 H LYS 38 H LYS 38 4.172 -2.685 7.921 296 HA LYS 38 HA LYS 38 3.918 0.089 8.416 297 HB2 LYS 38 2HB LYS 38 4.275 -1.562 10.221 298 HB3 LYS 38 3HB LYS 38 5.878 -1.928 9.590 299 HG2 LYS 38 2HG LYS 38 6.603 0.400 10.091 300 HG3 LYS 38 3HG LYS 38 4.995 0.753 10.727 301 HD2 LYS 38 2HD LYS 38 6.573 0.312 12.550 302 HD3 LYS 38 3HD LYS 38 5.321 -0.933 12.503 303 HE2 LYS 38 2HE LYS 38 7.512 -1.945 12.905 304 HE3 LYS 38 3HE LYS 38 6.917 -2.448 11.322 305 HZ1 LYS 38 3HZ LYS 38 8.358 -0.801 10.293 306 HZ2 LYS 38 1HZ LYS 38 9.274 -1.809 11.296 307 HZ3 LYS 38 2HZ LYS 38 8.869 -0.254 11.804 308 H LYS 39 H LYS 39 6.591 -1.888 7.104 309 HA LYS 39 HA LYS 39 8.566 0.115 6.983 310 HB2 LYS 39 2HB LYS 39 8.233 -2.407 5.301 311 HB3 LYS 39 3HB LYS 39 9.664 -1.378 5.244 312 HG2 LYS 39 2HG LYS 39 10.125 -1.833 7.604 313 HG3 LYS 39 3HG LYS 39 8.670 -2.830 7.719 314 HD2 LYS 39 2HD LYS 39 9.604 -4.466 6.165 315 HD3 LYS 39 3HD LYS 39 10.998 -3.429 5.843 316 HE2 LYS 39 2HE LYS 39 11.802 -3.717 8.113 317 HE3 LYS 39 3HE LYS 39 10.344 -4.599 8.562 318 HZ1 LYS 39 3HZ LYS 39 12.213 -6.067 8.173 319 HZ2 LYS 39 1HZ LYS 39 12.358 -5.517 6.580 320 HZ3 LYS 39 2HZ LYS 39 10.976 -6.368 7.062 321 H VAL 40 H VAL 40 6.336 -1.054 4.444 322 HA VAL 40 HA VAL 40 7.353 0.690 2.414 323 HB VAL 40 HB VAL 40 4.813 -1.003 2.521 324 HG11 VAL 40 1HG1 VAL 40 6.003 0.440 0.123 325 HG12 VAL 40 2HG1 VAL 40 4.482 0.836 0.925 326 HG13 VAL 40 3HG1 VAL 40 4.656 -0.698 0.077 327 HG21 VAL 40 3HG2 VAL 40 6.042 -2.561 1.057 328 HG22 VAL 40 1HG2 VAL 40 6.917 -2.308 2.570 329 HG23 VAL 40 2HG2 VAL 40 7.458 -1.505 1.093 330 H ALA 41 H ALA 41 4.586 0.848 4.661 331 HA ALA 41 HA ALA 41 3.355 3.164 3.527 332 HB1 ALA 41 3HB ALA 41 3.141 2.100 6.365 333 HB2 ALA 41 1HB ALA 41 2.120 1.627 5.007 334 HB3 ALA 41 2HB ALA 41 2.062 3.282 5.618 335 H GLU 42 H GLU 42 5.856 2.637 5.923 336 HA GLU 42 HA GLU 42 6.162 5.297 6.892 337 HB2 GLU 42 2HB GLU 42 6.960 3.276 8.096 338 HB3 GLU 42 3HB GLU 42 8.130 2.963 6.822 339 HG2 GLU 42 2HG GLU 42 9.308 5.031 7.383 340 HG3 GLU 42 3HG GLU 42 8.130 5.377 8.651 341 H LYS 43 H LYS 43 7.634 3.430 4.237 342 HA LYS 43 HA LYS 43 9.556 5.417 3.491 343 HB2 LYS 43 2HB LYS 43 8.451 3.113 1.835 344 HB3 LYS 43 3HB LYS 43 9.814 4.120 1.371 345 HG2 LYS 43 2HG LYS 43 9.664 2.027 3.530 346 HG3 LYS 43 3HG LYS 43 10.772 2.140 2.173 347 HD2 LYS 43 2HD LYS 43 12.273 2.929 3.698 348 HD3 LYS 43 3HD LYS 43 11.398 4.455 3.584 349 HE2 LYS 43 2HE LYS 43 9.917 3.549 5.492 350 HE3 LYS 43 3HE LYS 43 11.130 2.286 5.686 351 HZ1 LYS 43 3HZ LYS 43 11.588 5.210 5.930 352 HZ2 LYS 43 1HZ LYS 43 12.794 4.025 6.051 353 HZ3 LYS 43 2HZ LYS 43 11.546 4.090 7.192 354 H ALA 44 H ALA 44 6.287 4.603 2.375 355 HA ALA 44 HA ALA 44 6.013 6.479 0.292 356 HB1 ALA 44 3HB ALA 44 3.897 5.398 2.186 357 HB2 ALA 44 1HB ALA 44 4.426 4.642 0.686 358 HB3 ALA 44 2HB ALA 44 3.585 6.193 0.639 359 H ALA 45 H ALA 45 5.388 6.681 3.777 360 HA ALA 45 HA ALA 45 4.446 9.319 3.935 361 HB1 ALA 45 3HB ALA 45 4.173 7.704 5.761 362 HB2 ALA 45 1HB ALA 45 4.965 9.170 6.340 363 HB3 ALA 45 2HB ALA 45 5.914 7.708 6.048 364 H ASP 46 H ASP 46 7.742 7.971 3.900 365 HA ASP 46 HA ASP 46 9.206 10.293 4.539 366 HB2 ASP 46 2HB ASP 46 9.932 7.853 2.886 367 HB3 ASP 46 3HB ASP 46 11.065 9.189 3.040 368 H LYS 47 H LYS 47 8.262 9.009 1.307 369 HA LYS 47 HA LYS 47 9.421 11.126 -0.179 370 HB2 LYS 47 2HB LYS 47 7.325 9.058 -0.919 371 HB3 LYS 47 3HB LYS 47 7.750 10.345 -2.040 372 HG2 LYS 47 2HG LYS 47 9.100 8.547 -2.727 373 HG3 LYS 47 3HG LYS 47 10.193 9.553 -1.777 374 HD2 LYS 47 2HD LYS 47 9.715 8.017 0.193 375 HD3 LYS 47 3HD LYS 47 8.853 6.966 -0.931 376 HE2 LYS 47 2HE LYS 47 11.069 6.078 -0.658 377 HE3 LYS 47 3HE LYS 47 10.997 6.793 -2.272 378 HZ1 LYS 47 3HZ LYS 47 12.180 8.062 0.150 379 HZ2 LYS 47 1HZ LYS 47 12.091 8.777 -1.379 380 HZ3 LYS 47 2HZ LYS 47 13.041 7.401 -1.147 381 H ILE 48 H ILE 48 6.256 10.866 1.375 382 HA ILE 48 HA ILE 48 5.140 13.248 0.258 383 HB ILE 48 HB ILE 48 4.466 12.039 2.982 384 HG12 ILE 48 2HG1 ILE 48 3.039 11.541 0.329 385 HG13 ILE 48 3HG1 ILE 48 4.190 10.423 1.049 386 HG21 ILE 48 1HG2 ILE 48 3.653 14.350 2.734 387 HG22 ILE 48 2HG2 ILE 48 2.292 13.229 2.695 388 HG23 ILE 48 3HG2 ILE 48 2.891 13.940 1.195 389 HD11 ILE 48 3HD1 ILE 48 1.582 11.282 2.286 390 HD12 ILE 48 1HD1 ILE 48 2.740 10.142 2.977 391 HD13 ILE 48 2HD1 ILE 48 1.905 9.750 1.474 392 H LYS 49 H LYS 49 7.004 12.550 3.209 393 HA LYS 49 HA LYS 49 6.779 15.093 4.431 394 HB2 LYS 49 2HB LYS 49 7.342 13.022 5.670 395 HB3 LYS 49 3HB LYS 49 8.887 12.921 4.828 396 HG2 LYS 49 2HG LYS 49 9.616 15.022 5.892 397 HG3 LYS 49 3HG LYS 49 8.055 15.157 6.710 398 HD2 LYS 49 2HD LYS 49 8.517 13.056 7.946 399 HD3 LYS 49 3HD LYS 49 10.069 12.905 7.113 400 HE2 LYS 49 2HE LYS 49 10.876 14.955 8.166 401 HE3 LYS 49 3HE LYS 49 9.299 15.220 8.918 402 HZ1 LYS 49 3HZ LYS 49 10.856 14.256 10.479 403 HZ2 LYS 49 1HZ LYS 49 11.108 12.924 9.466 404 HZ3 LYS 49 2HZ LYS 49 9.591 13.177 10.174 405 H LYS 50 H LYS 50 9.174 13.689 2.260 406 HA LYS 50 HA LYS 50 11.029 15.892 2.375 407 HB2 LYS 50 2HB LYS 50 10.828 13.350 0.739 408 HB3 LYS 50 3HB LYS 50 11.936 14.613 0.229 409 HG2 LYS 50 2HG LYS 50 13.181 12.990 1.479 410 HG3 LYS 50 3HG LYS 50 13.077 14.457 2.453 411 HD2 LYS 50 2HD LYS 50 11.283 13.424 3.810 412 HD3 LYS 50 3HD LYS 50 11.366 11.970 2.814 413 HE2 LYS 50 2HE LYS 50 13.675 11.572 3.564 414 HE3 LYS 50 3HE LYS 50 13.622 13.047 4.534 415 HZ1 LYS 50 3HZ LYS 50 13.221 11.105 5.890 416 HZ2 LYS 50 1HZ LYS 50 11.911 10.643 4.929 417 HZ3 LYS 50 2HZ LYS 50 11.833 12.062 5.846 418 H GLN 51 H GLN 51 8.477 14.811 0.121 419 HA GLN 51 HA GLN 51 8.531 17.450 -1.229 420 HB2 GLN 51 2HB GLN 51 9.676 15.866 -2.719 421 HB3 GLN 51 3HB GLN 51 8.353 14.717 -2.579 422 HG2 GLN 51 2HG GLN 51 8.230 15.798 -4.733 423 HG3 GLN 51 3HG GLN 51 6.864 16.334 -3.754 424 HE21 GLN 51 1HE2 GLN 51 6.588 18.180 -4.990 425 HE22 GLN 51 2HE2 GLN 51 7.661 19.527 -4.923 426 H GLY 52 H GLY 52 6.601 14.462 -1.591 427 HA2 GLY 52 2HA GLY 52 4.260 14.722 -0.481 428 HA3 GLY 52 3HA GLY 52 4.133 16.072 -1.610 429 H CYS 53 H CYS 53 4.953 12.574 -1.519 430 HA CYS 53 HA CYS 53 4.115 12.113 -4.233 431 HB2 CYS 53 2HB CYS 53 4.368 9.708 -3.707 432 HB3 CYS 53 3HB CYS 53 5.780 10.617 -3.195 433 HG CYS 53 HG CYS 53 3.320 9.507 -1.097 434 H LYS 54 H LYS 54 2.110 13.061 -4.309 435 HA LYS 54 HA LYS 54 0.000 12.524 -2.420 436 HB2 LYS 54 2HB LYS 54 -0.075 14.015 -5.075 437 HB3 LYS 54 3HB LYS 54 -1.328 14.059 -3.832 438 HG2 LYS 54 2HG LYS 54 0.162 15.173 -2.279 439 HG3 LYS 54 3HG LYS 54 1.525 14.982 -3.384 440 HD2 LYS 54 2HD LYS 54 0.218 16.434 -5.044 441 HD3 LYS 54 3HD LYS 54 -0.900 16.781 -3.717 442 HE2 LYS 54 2HE LYS 54 0.788 18.555 -3.912 443 HE3 LYS 54 3HE LYS 54 0.988 17.693 -2.384 444 HZ1 LYS 54 3HZ LYS 54 3.096 18.103 -3.545 445 HZ2 LYS 54 1HZ LYS 54 2.575 17.173 -4.848 446 HZ3 LYS 54 2HZ LYS 54 2.809 16.454 -3.336 447 H ARG 55 H ARG 55 0.892 11.363 -5.611 448 HA ARG 55 HA ARG 55 -1.496 9.602 -5.641 449 HB2 ARG 55 2HB ARG 55 0.388 10.446 -7.898 450 HB3 ARG 55 3HB ARG 55 -0.934 9.292 -8.074 451 HG2 ARG 55 2HG ARG 55 -2.570 11.023 -7.522 452 HG3 ARG 55 3HG ARG 55 -1.274 12.186 -7.239 453 HD2 ARG 55 2HD ARG 55 -0.642 12.136 -9.573 454 HD3 ARG 55 3HD ARG 55 -1.791 10.831 -9.902 455 HE ARG 55 HE ARG 55 -2.930 13.278 -8.817 456 HH11 ARG 55 1HH1 ARG 55 -2.160 11.489 -11.756 457 HH12 ARG 55 2HH1 ARG 55 -3.310 12.357 -12.723 458 HH21 ARG 55 1HH2 ARG 55 -4.467 14.365 -10.088 459 HH22 ARG 55 2HH2 ARG 55 -4.613 13.984 -11.774 460 H VAL 56 H VAL 56 -1.044 7.787 -4.707 461 HA VAL 56 HA VAL 56 1.536 6.377 -5.077 462 HB VAL 56 HB VAL 56 -0.482 6.180 -2.767 463 HG11 VAL 56 1HG1 VAL 56 2.201 4.786 -3.059 464 HG12 VAL 56 2HG1 VAL 56 0.615 4.022 -3.171 465 HG13 VAL 56 3HG1 VAL 56 1.148 4.723 -1.643 466 HG21 VAL 56 3HG2 VAL 56 1.241 7.238 -1.350 467 HG22 VAL 56 1HG2 VAL 56 0.772 8.299 -2.681 468 HG23 VAL 56 2HG2 VAL 56 2.299 7.417 -2.751 469 H LYS 57 H LYS 57 1.363 4.233 -5.821 470 HA LYS 57 HA LYS 57 -1.355 3.222 -6.466 471 HB2 LYS 57 2HB LYS 57 1.197 2.979 -8.149 472 HB3 LYS 57 3HB LYS 57 -0.295 2.108 -8.478 473 HG2 LYS 57 2HG LYS 57 -0.394 3.896 -9.984 474 HG3 LYS 57 3HG LYS 57 -1.409 4.453 -8.655 475 HD2 LYS 57 2HD LYS 57 0.546 5.787 -7.792 476 HD3 LYS 57 3HD LYS 57 1.476 5.276 -9.203 477 HE2 LYS 57 2HE LYS 57 -0.252 6.366 -10.665 478 HE3 LYS 57 3HE LYS 57 -1.052 6.965 -9.209 479 HZ1 LYS 57 3HZ LYS 57 1.703 7.629 -10.110 480 HZ2 LYS 57 1HZ LYS 57 1.015 8.157 -8.655 481 HZ3 LYS 57 2HZ LYS 57 0.363 8.656 -10.135 482 H ILE 58 H ILE 58 -1.777 1.431 -5.350 483 HA ILE 58 HA ILE 58 0.391 -0.337 -4.376 484 HB ILE 58 HB ILE 58 -2.562 -0.061 -3.623 485 HG12 ILE 58 2HG1 ILE 58 -0.042 0.378 -1.961 486 HG13 ILE 58 3HG1 ILE 58 -1.051 1.646 -2.644 487 HG21 ILE 58 1HG2 ILE 58 -2.284 -1.839 -1.942 488 HG22 ILE 58 2HG2 ILE 58 -0.665 -2.163 -2.550 489 HG23 ILE 58 3HG2 ILE 58 -2.062 -2.453 -3.582 490 HD11 ILE 58 3HD1 ILE 58 -1.478 1.400 -0.291 491 HD12 ILE 58 1HD1 ILE 58 -1.863 -0.310 -0.491 492 HD13 ILE 58 2HD1 ILE 58 -2.908 0.924 -1.204 493 H ARG 59 H ARG 59 0.846 -1.953 -5.786 494 HA ARG 59 HA ARG 59 -1.348 -3.235 -7.308 495 HB2 ARG 59 2HB ARG 59 1.591 -2.875 -8.040 496 HB3 ARG 59 3HB ARG 59 0.559 -4.048 -8.852 497 HG2 ARG 59 2HG ARG 59 -0.979 -2.143 -9.481 498 HG3 ARG 59 3HG ARG 59 0.229 -1.036 -8.826 499 HD2 ARG 59 2HD ARG 59 1.849 -1.697 -10.486 500 HD3 ARG 59 3HD ARG 59 0.832 -3.039 -11.032 501 HE ARG 59 HE ARG 59 -0.301 -0.364 -11.257 502 HH11 ARG 59 1HH1 ARG 59 1.335 -2.988 -12.962 503 HH12 ARG 59 2HH1 ARG 59 0.862 -2.412 -14.530 504 HH21 ARG 59 1HH2 ARG 59 -0.931 0.351 -13.297 505 HH22 ARG 59 2HH2 ARG 59 -0.426 -0.513 -14.716 506 H PHE 60 H PHE 60 -1.562 -5.351 -7.201 507 HA PHE 60 HA PHE 60 0.272 -7.112 -5.788 508 HB2 PHE 60 2HB PHE 60 -1.021 -6.243 -3.916 509 HB3 PHE 60 3HB PHE 60 -2.540 -6.427 -4.796 510 HD1 PHE 60 HD2 PHE 60 0.325 -8.450 -3.492 511 HD2 PHE 60 HD1 PHE 60 -3.840 -8.367 -4.414 512 HE1 PHE 60 HE2 PHE 60 0.073 -10.696 -2.525 513 HE2 PHE 60 HE1 PHE 60 -4.087 -10.617 -3.451 514 HZ PHE 60 HZ PHE 60 -2.133 -11.782 -2.507 515 H GLU 61 H GLU 61 0.052 -9.206 -6.555 516 HA GLU 61 HA GLU 61 -2.025 -9.715 -8.596 517 HB2 GLU 61 2HB GLU 61 0.661 -11.051 -8.084 518 HB3 GLU 61 3HB GLU 61 -0.521 -11.657 -9.244 519 HG2 GLU 61 2HG GLU 61 -0.403 -9.474 -10.444 520 HG3 GLU 61 3HG GLU 61 0.860 -8.964 -9.325 521 H LYS 62 H LYS 62 -3.775 -10.376 -7.468 522 HA LYS 62 HA LYS 62 -3.557 -12.650 -5.643 523 HB2 LYS 62 2HB LYS 62 -5.907 -12.318 -5.130 524 HB3 LYS 62 3HB LYS 62 -5.131 -10.752 -5.101 525 HG2 LYS 62 2HG LYS 62 -7.080 -10.182 -6.168 526 HG3 LYS 62 3HG LYS 62 -6.102 -10.586 -7.580 527 HD2 LYS 62 2HD LYS 62 -7.097 -12.957 -7.422 528 HD3 LYS 62 3HD LYS 62 -8.216 -12.306 -6.224 529 HE2 LYS 62 2HE LYS 62 -9.182 -10.776 -7.846 530 HE3 LYS 62 3HE LYS 62 -7.960 -11.206 -9.050 531 HZ1 LYS 62 3HZ LYS 62 -10.013 -13.044 -7.932 532 HZ2 LYS 62 1HZ LYS 62 -8.853 -13.459 -9.087 533 HZ3 LYS 62 2HZ LYS 62 -10.058 -12.335 -9.466 534 H LYS 63 H LYS 63 -3.242 -14.551 -6.653 535 HA LYS 63 HA LYS 63 -4.891 -15.425 -8.854 536 HB2 LYS 63 2HB LYS 63 -3.150 -13.986 -9.958 537 HB3 LYS 63 3HB LYS 63 -1.892 -15.037 -9.314 538 HG2 LYS 63 2HG LYS 63 -2.724 -16.906 -10.646 539 HG3 LYS 63 3HG LYS 63 -4.082 -15.926 -11.215 540 HD2 LYS 63 2HD LYS 63 -2.375 -14.328 -12.229 541 HD3 LYS 63 3HD LYS 63 -1.132 -15.520 -11.831 542 HE2 LYS 63 2HE LYS 63 -2.327 -17.189 -13.238 543 HE3 LYS 63 3HE LYS 63 -3.509 -15.948 -13.666 544 HZ1 LYS 63 3HZ LYS 63 -0.598 -15.800 -14.236 545 HZ2 LYS 63 1HZ LYS 63 -1.756 -14.658 -14.679 546 HZ3 LYS 63 2HZ LYS 63 -1.794 -16.200 -15.362 547 H GLY 64 H GLY 64 -1.616 -16.168 -7.677 548 HA2 GLY 64 2HA GLY 64 -2.303 -18.988 -7.315 549 HA3 GLY 64 3HA GLY 64 -0.703 -18.263 -7.236 550 H LEU 65 H LEU 65 -3.762 -17.529 -5.525 551 HA LEU 65 HA LEU 65 -2.448 -18.196 -2.956 552 HB2 LEU 65 2HB LEU 65 -3.865 -16.234 -2.010 553 HB3 LEU 65 3HB LEU 65 -2.364 -15.889 -2.831 554 HG LEU 65 HG LEU 65 -3.557 -15.046 -4.798 555 HD11 LEU 65 1HD1 LEU 65 -5.545 -16.487 -4.821 556 HD12 LEU 65 2HD1 LEU 65 -5.980 -14.782 -4.908 557 HD13 LEU 65 3HD1 LEU 65 -6.170 -15.665 -3.389 558 HD21 LEU 65 3HD2 LEU 65 -3.077 -13.477 -3.005 559 HD22 LEU 65 1HD2 LEU 65 -4.596 -13.877 -2.198 560 HD23 LEU 65 2HD2 LEU 65 -4.610 -13.060 -3.761 561 H ASP 66 H ASP 66 -4.120 -18.216 -1.158 562 HA ASP 66 HA ASP 66 -6.416 -19.877 -1.788 563 HB2 ASP 66 2HB ASP 66 -5.554 -18.643 0.876 564 HB3 ASP 66 3HB ASP 66 -6.725 -19.940 0.664 565 H ASP 67 H ASP 67 -8.580 -19.263 -1.129 566 HA ASP 67 HA ASP 67 -9.498 -16.689 -1.781 567 HB2 ASP 67 2HB ASP 67 -10.934 -18.728 -1.788 568 HB3 ASP 67 3HB ASP 67 -10.855 -18.797 -0.032 569 H ASP 68 H ASP 68 -8.559 -18.160 1.256 570 HA ASP 68 HA ASP 68 -9.250 -16.139 3.089 571 HB2 ASP 68 2HB ASP 68 -8.647 -18.458 3.755 572 HB3 ASP 68 3HB ASP 68 -6.995 -18.200 3.207 573 H ALA 69 H ALA 69 -6.185 -16.807 1.343 574 HA ALA 69 HA ALA 69 -4.634 -14.684 2.368 575 HB1 ALA 69 3HB ALA 69 -3.133 -15.091 0.446 576 HB2 ALA 69 1HB ALA 69 -4.372 -16.100 -0.313 577 HB3 ALA 69 2HB ALA 69 -3.629 -16.602 1.206 578 H ARG 70 H ARG 70 -6.916 -14.849 -0.289 579 HA ARG 70 HA ARG 70 -6.313 -12.347 -1.520 580 HB2 ARG 70 2HB ARG 70 -7.544 -14.323 -2.577 581 HB3 ARG 70 3HB ARG 70 -8.954 -13.891 -1.630 582 HG2 ARG 70 2HG ARG 70 -7.679 -11.970 -3.609 583 HG3 ARG 70 3HG ARG 70 -8.899 -13.143 -4.088 584 HD2 ARG 70 2HD ARG 70 -10.503 -12.101 -2.506 585 HD3 ARG 70 3HD ARG 70 -9.279 -10.909 -2.063 586 HE ARG 70 HE ARG 70 -9.909 -11.049 -4.889 587 HH11 ARG 70 1HH1 ARG 70 -10.706 -9.479 -1.841 588 HH12 ARG 70 2HH1 ARG 70 -11.419 -8.093 -2.602 589 HH21 ARG 70 1HH2 ARG 70 -10.847 -9.223 -5.867 590 HH22 ARG 70 2HH2 ARG 70 -11.497 -7.955 -4.879 591 H LYS 71 H LYS 71 -8.681 -13.417 0.915 592 HA LYS 71 HA LYS 71 -10.054 -10.954 1.261 593 HB2 LYS 71 2HB LYS 71 -11.027 -13.114 1.932 594 HB3 LYS 71 3HB LYS 71 -9.762 -13.346 3.134 595 HG2 LYS 71 2HG LYS 71 -10.616 -11.435 4.430 596 HG3 LYS 71 3HG LYS 71 -11.853 -11.139 3.203 597 HD2 LYS 71 2HD LYS 71 -12.898 -13.306 3.685 598 HD3 LYS 71 3HD LYS 71 -11.613 -13.699 4.831 599 HE2 LYS 71 2HE LYS 71 -13.632 -12.996 6.013 600 HE3 LYS 71 3HE LYS 71 -12.337 -11.828 6.275 601 HZ1 LYS 71 3HZ LYS 71 -14.562 -11.514 4.322 602 HZ2 LYS 71 1HZ LYS 71 -13.346 -10.379 4.636 603 HZ3 LYS 71 2HZ LYS 71 -14.471 -10.766 5.831 604 H LYS 72 H LYS 72 -7.265 -12.411 2.857 605 HA LYS 72 HA LYS 72 -6.808 -10.530 4.910 606 HB2 LYS 72 2HB LYS 72 -4.912 -12.351 3.375 607 HB3 LYS 72 3HB LYS 72 -4.398 -11.386 4.748 608 HG2 LYS 72 2HG LYS 72 -6.495 -13.575 4.853 609 HG3 LYS 72 3HG LYS 72 -4.801 -13.753 5.314 610 HD2 LYS 72 2HD LYS 72 -5.213 -11.845 6.992 611 HD3 LYS 72 3HD LYS 72 -6.934 -12.076 6.668 612 HE2 LYS 72 2HE LYS 72 -5.015 -14.144 7.793 613 HE3 LYS 72 3HE LYS 72 -6.285 -13.299 8.675 614 HZ1 LYS 72 3HZ LYS 72 -7.916 -14.368 7.214 615 HZ2 LYS 72 1HZ LYS 72 -7.018 -15.492 8.098 616 HZ3 LYS 72 2HZ LYS 72 -6.678 -15.238 6.463 617 H ALA 73 H ALA 73 -5.424 -10.830 1.633 618 HA ALA 73 HA ALA 73 -3.754 -8.528 1.724 619 HB1 ALA 73 3HB ALA 73 -4.769 -10.081 -0.680 620 HB2 ALA 73 1HB ALA 73 -3.314 -10.444 0.250 621 HB3 ALA 73 2HB ALA 73 -3.417 -8.944 -0.673 622 H LYS 74 H LYS 74 -7.057 -9.068 0.700 623 HA LYS 74 HA LYS 74 -7.691 -6.724 -0.689 624 HB2 LYS 74 2HB LYS 74 -9.384 -8.381 -0.710 625 HB3 LYS 74 3HB LYS 74 -9.257 -8.678 1.017 626 HG2 LYS 74 2HG LYS 74 -10.357 -6.445 1.419 627 HG3 LYS 74 3HG LYS 74 -10.604 -6.306 -0.324 628 HD2 LYS 74 2HD LYS 74 -12.081 -8.217 -0.342 629 HD3 LYS 74 3HD LYS 74 -11.663 -8.631 1.325 630 HE2 LYS 74 2HE LYS 74 -13.882 -7.563 1.190 631 HE3 LYS 74 3HE LYS 74 -12.757 -6.572 2.122 632 HZ1 LYS 74 3HZ LYS 74 -14.103 -5.273 0.559 633 HZ2 LYS 74 1HZ LYS 74 -13.442 -6.133 -0.737 634 HZ3 LYS 74 2HZ LYS 74 -12.454 -5.152 0.217 635 H LYS 75 H LYS 75 -8.016 -7.476 2.770 636 HA LYS 75 HA LYS 75 -8.822 -4.873 3.601 637 HB2 LYS 75 2HB LYS 75 -9.405 -6.932 4.853 638 HB3 LYS 75 3HB LYS 75 -7.703 -7.214 5.202 639 HG2 LYS 75 2HG LYS 75 -7.688 -5.006 6.463 640 HG3 LYS 75 3HG LYS 75 -9.438 -4.948 6.238 641 HD2 LYS 75 2HD LYS 75 -8.909 -5.827 8.460 642 HD3 LYS 75 3HD LYS 75 -9.656 -7.094 7.483 643 HE2 LYS 75 2HE LYS 75 -7.454 -8.098 7.059 644 HE3 LYS 75 3HE LYS 75 -6.665 -6.789 7.944 645 HZ1 LYS 75 3HZ LYS 75 -7.797 -7.492 9.947 646 HZ2 LYS 75 1HZ LYS 75 -6.910 -8.778 9.306 647 HZ3 LYS 75 2HZ LYS 75 -8.590 -8.728 9.117 648 H TRP 76 H TRP 76 -5.777 -6.601 3.402 649 HA TRP 76 HA TRP 76 -4.122 -5.019 5.009 650 HB2 TRP 76 2HB TRP 76 -3.473 -7.264 4.276 651 HB3 TRP 76 3HB TRP 76 -3.471 -6.762 2.590 652 HD1 TRP 76 HD1 TRP 76 -1.369 -6.453 5.810 653 HE1 TRP 76 HE1 TRP 76 0.983 -5.682 5.154 654 HE3 TRP 76 HE3 TRP 76 -2.126 -5.515 0.832 655 HZ2 TRP 76 HZ2 TRP 76 2.364 -4.809 2.881 656 HZ3 TRP 76 HZ3 TRP 76 -0.235 -4.697 -0.512 657 HH2 TRP 76 HH2 TRP 76 1.965 -4.349 0.494 658 H ALA 77 H ALA 77 -4.687 -4.901 1.479 659 HA ALA 77 HA ALA 77 -2.971 -2.775 0.834 660 HB1 ALA 77 3HB ALA 77 -4.246 -2.633 -1.266 661 HB2 ALA 77 1HB ALA 77 -5.533 -3.622 -0.558 662 HB3 ALA 77 2HB ALA 77 -3.935 -4.314 -0.829 663 H LEU 78 H LEU 78 -6.232 -2.803 2.101 664 HA LEU 78 HA LEU 78 -6.813 -0.012 1.766 665 HB2 LEU 78 2HB LEU 78 -8.069 -2.046 3.659 666 HB3 LEU 78 3HB LEU 78 -8.738 -0.468 3.270 667 HG LEU 78 HG LEU 78 -8.418 -2.799 1.344 668 HD11 LEU 78 1HD1 LEU 78 -10.222 -3.175 2.939 669 HD12 LEU 78 2HD1 LEU 78 -10.873 -2.888 1.327 670 HD13 LEU 78 3HD1 LEU 78 -10.936 -1.609 2.543 671 HD21 LEU 78 3HD2 LEU 78 -8.071 -0.711 0.156 672 HD22 LEU 78 1HD2 LEU 78 -9.564 -0.043 0.824 673 HD23 LEU 78 2HD2 LEU 78 -9.623 -1.410 -0.292 674 H GLU 79 H GLU 79 -5.564 -2.070 4.399 675 HA GLU 79 HA GLU 79 -5.490 -0.145 6.444 676 HB2 GLU 79 2HB GLU 79 -3.617 -2.533 6.071 677 HB3 GLU 79 3HB GLU 79 -3.782 -1.596 7.548 678 HG2 GLU 79 2HG GLU 79 -5.876 -3.372 6.287 679 HG3 GLU 79 3HG GLU 79 -4.970 -3.686 7.763 680 H VAL 80 H VAL 80 -2.958 -1.199 4.148 681 HA VAL 80 HA VAL 80 -0.843 0.459 4.872 682 HB VAL 80 HB VAL 80 -1.577 -0.569 2.076 683 HG11 VAL 80 1HG1 VAL 80 0.803 -0.287 1.476 684 HG12 VAL 80 2HG1 VAL 80 1.119 0.472 3.038 685 HG13 VAL 80 3HG1 VAL 80 0.055 1.261 1.873 686 HG21 VAL 80 3HG2 VAL 80 0.316 -1.763 4.135 687 HG22 VAL 80 1HG2 VAL 80 0.002 -2.401 2.518 688 HG23 VAL 80 2HG2 VAL 80 -1.283 -2.380 3.725 689 H ALA 81 H ALA 81 -3.416 1.031 2.469 690 HA ALA 81 HA ALA 81 -2.668 3.556 1.540 691 HB1 ALA 81 3HB ALA 81 -4.367 2.159 0.455 692 HB2 ALA 81 1HB ALA 81 -5.004 3.770 0.785 693 HB3 ALA 81 2HB ALA 81 -5.461 2.410 1.816 694 H ASN 82 H ASN 82 -4.702 2.653 4.308 695 HA ASN 82 HA ASN 82 -5.344 5.345 5.091 696 HB2 ASN 82 2HB ASN 82 -5.852 2.618 6.310 697 HB3 ASN 82 3HB ASN 82 -6.049 4.044 7.320 698 HD21 ASN 82 1HD2 ASN 82 -7.399 2.219 4.690 699 HD22 ASN 82 2HD2 ASN 82 -8.844 3.148 4.528 700 H LYS 83 H LYS 83 -2.725 3.115 5.857 701 HA LYS 83 HA LYS 83 -1.821 4.404 8.237 702 HB2 LYS 83 2HB LYS 83 -0.183 2.750 6.256 703 HB3 LYS 83 3HB LYS 83 0.369 3.252 7.848 704 HG2 LYS 83 2HG LYS 83 -1.802 1.266 7.186 705 HG3 LYS 83 3HG LYS 83 -0.269 0.956 7.987 706 HD2 LYS 83 2HD LYS 83 -1.043 2.257 9.953 707 HD3 LYS 83 3HD LYS 83 -2.578 2.572 9.138 708 HE2 LYS 83 2HE LYS 83 -3.059 0.146 9.116 709 HE3 LYS 83 3HE LYS 83 -1.526 -0.164 9.941 710 HZ1 LYS 83 3HZ LYS 83 -3.752 1.473 11.026 711 HZ2 LYS 83 1HZ LYS 83 -2.305 1.117 11.822 712 HZ3 LYS 83 2HZ LYS 83 -3.405 -0.117 11.473 713 H ILE 84 H ILE 84 -0.883 4.660 4.836 714 HA ILE 84 HA ILE 84 1.084 6.679 5.023 715 HB ILE 84 HB ILE 84 -0.759 5.978 2.677 716 HG12 ILE 84 2HG1 ILE 84 2.087 4.974 3.114 717 HG13 ILE 84 3HG1 ILE 84 0.680 4.081 3.652 718 HG21 ILE 84 1HG2 ILE 84 1.899 7.450 2.637 719 HG22 ILE 84 2HG2 ILE 84 0.312 8.158 2.324 720 HG23 ILE 84 3HG2 ILE 84 0.974 6.958 1.215 721 HD11 ILE 84 3HD1 ILE 84 -0.101 3.909 1.329 722 HD12 ILE 84 1HD1 ILE 84 1.499 3.208 1.556 723 HD13 ILE 84 2HD1 ILE 84 1.333 4.788 0.789 724 H ALA 85 H ALA 85 -2.437 6.785 4.458 725 HA ALA 85 HA ALA 85 -2.663 9.541 3.839 726 HB1 ALA 85 3HB ALA 85 -4.357 7.885 3.175 727 HB2 ALA 85 1HB ALA 85 -5.083 9.202 4.095 728 HB3 ALA 85 2HB ALA 85 -4.797 7.638 4.867 729 H ASN 86 H ASN 86 -3.276 7.741 6.860 730 HA ASN 86 HA ASN 86 -4.491 9.750 8.359 731 HB2 ASN 86 2HB ASN 86 -4.593 7.391 9.005 732 HB3 ASN 86 3HB ASN 86 -2.860 7.355 9.316 733 HD21 ASN 86 1HD2 ASN 86 -2.061 8.341 11.216 734 HD22 ASN 86 2HD2 ASN 86 -3.100 8.755 12.537 735 H GLU 87 H GLU 87 -1.070 9.082 7.907 736 HA GLU 87 HA GLU 87 -0.035 10.548 10.076 737 HB2 GLU 87 2HB GLU 87 1.289 9.942 7.402 738 HB3 GLU 87 3HB GLU 87 2.126 10.468 8.859 739 HG2 GLU 87 2HG GLU 87 0.666 7.854 8.442 740 HG3 GLU 87 3HG GLU 87 2.403 8.081 8.595 741 H LEU 88 H LEU 88 -1.137 11.599 6.923 742 HA LEU 88 HA LEU 88 -0.355 14.409 7.501 743 HB2 LEU 88 2HB LEU 88 -0.799 13.015 4.815 744 HB3 LEU 88 3HB LEU 88 -0.560 14.739 5.003 745 HG LEU 88 HG LEU 88 1.505 13.877 4.246 746 HD11 LEU 88 1HD1 LEU 88 1.835 14.297 7.216 747 HD12 LEU 88 2HD1 LEU 88 1.740 15.560 5.985 748 HD13 LEU 88 3HD1 LEU 88 3.094 14.432 5.985 749 HD21 LEU 88 3HD2 LEU 88 2.757 12.027 5.249 750 HD22 LEU 88 1HD2 LEU 88 1.171 11.493 4.696 751 HD23 LEU 88 2HD2 LEU 88 1.461 11.756 6.416 752 H GLY 89 H GLY 89 -2.880 12.660 8.129 753 HA2 GLY 89 2HA GLY 89 -5.161 12.935 8.202 754 HA3 GLY 89 3HA GLY 89 -4.965 14.527 7.472 755 H ALA 90 H ALA 90 -4.674 14.652 5.180 756 HA ALA 90 HA ALA 90 -4.762 14.163 2.982 757 HB1 ALA 90 3HB ALA 90 -3.965 11.393 3.918 758 HB2 ALA 90 1HB ALA 90 -2.867 12.746 3.632 759 HB3 ALA 90 2HB ALA 90 -3.763 12.040 2.287 760 H LYS 91 H LYS 91 -5.517 11.399 1.887 761 HA LYS 91 HA LYS 91 -8.431 11.491 2.298 762 HB2 LYS 91 2HB LYS 91 -7.771 13.082 0.436 763 HB3 LYS 91 3HB LYS 91 -7.119 11.711 -0.451 764 HG2 LYS 91 2HG LYS 91 -9.366 10.700 -0.561 765 HG3 LYS 91 3HG LYS 91 -10.027 12.056 0.362 766 HD2 LYS 91 2HD LYS 91 -9.277 13.596 -1.492 767 HD3 LYS 91 3HD LYS 91 -8.792 12.172 -2.418 768 HE2 LYS 91 2HE LYS 91 -11.112 11.371 -2.437 769 HE3 LYS 91 3HE LYS 91 -11.609 12.742 -1.442 770 HZ1 LYS 91 3HZ LYS 91 -10.830 14.205 -3.273 771 HZ2 LYS 91 1HZ LYS 91 -12.138 13.226 -3.686 772 HZ3 LYS 91 2HZ LYS 91 -10.587 12.838 -4.226 773 H GLN 92 H GLN 92 -9.525 9.646 1.192 774 HA GLN 92 HA GLN 92 -8.205 7.156 1.714 775 HB2 GLN 92 2HB GLN 92 -10.960 7.822 0.606 776 HB3 GLN 92 3HB GLN 92 -10.438 6.185 0.982 777 HG2 GLN 92 2HG GLN 92 -10.659 8.460 2.977 778 HG3 GLN 92 3HG GLN 92 -11.829 7.155 2.769 779 HE21 GLN 92 1HE2 GLN 92 -8.612 7.966 3.902 780 HE22 GLN 92 2HE2 GLN 92 -8.351 6.513 4.800 781 H SER 93 H SER 93 -8.758 5.319 0.076 782 HA SER 93 HA SER 93 -7.487 5.988 -2.518 783 HB2 SER 93 2HB SER 93 -6.583 3.648 -2.382 784 HB3 SER 93 3HB SER 93 -6.041 4.665 -1.049 785 HG SER 93 HG SER 93 -8.222 2.838 -0.912 786 H THR 94 H THR 94 -8.187 4.873 -4.376 787 HA THR 94 HA THR 94 -10.882 3.715 -4.302 788 HB THR 94 HB THR 94 -10.531 5.380 -6.055 789 HG1 THR 94 HG1 THR 94 -11.449 2.969 -6.487 790 HG21 THR 94 3HG2 THR 94 -8.292 3.617 -7.113 791 HG22 THR 94 1HG2 THR 94 -8.103 5.220 -6.398 792 HG23 THR 94 2HG2 THR 94 -8.948 5.033 -7.936 793 H THR 95 H THR 95 -11.240 1.574 -4.509 794 HA THR 95 HA THR 95 -8.943 -0.259 -4.794 795 HB THR 95 HB THR 95 -11.711 -0.779 -3.607 796 HG1 THR 95 HG1 THR 95 -9.348 0.265 -2.566 797 HG21 THR 95 3HG2 THR 95 -10.646 -2.811 -2.651 798 HG22 THR 95 1HG2 THR 95 -9.163 -2.448 -3.533 799 HG23 THR 95 2HG2 THR 95 -10.639 -2.856 -4.414 800 H THR 96 H THR 96 -8.807 -1.459 -6.605 801 HA THR 96 HA THR 96 -11.205 -1.988 -8.247 802 HB THR 96 HB THR 96 -8.449 -1.182 -9.297 803 HG1 THR 96 HG1 THR 96 -10.609 0.271 -8.564 804 HG21 THR 96 3HG2 THR 96 -9.510 -1.198 -11.533 805 HG22 THR 96 1HG2 THR 96 -11.018 -1.779 -10.825 806 HG23 THR 96 2HG2 THR 96 -9.581 -2.804 -10.806 807 H THR 97 H THR 97 -11.495 -4.121 -8.171 808 HA THR 97 HA THR 97 -9.232 -5.993 -8.086 809 HB THR 97 HB THR 97 -10.983 -6.491 -6.500 810 HG1 THR 97 HG1 THR 97 -11.373 -8.383 -8.575 811 HG21 THR 97 3HG2 THR 97 -13.288 -6.995 -7.070 812 HG22 THR 97 1HG2 THR 97 -12.973 -6.687 -8.779 813 HG23 THR 97 2HG2 THR 97 -12.894 -5.365 -7.612 814 H ASP 98 H ASP 98 -8.367 -6.263 -9.990 815 HA ASP 98 HA ASP 98 -9.963 -6.400 -12.471 816 HB2 ASP 98 2HB ASP 98 -8.162 -4.672 -12.329 817 HB3 ASP 98 3HB ASP 98 -6.979 -5.938 -12.028 818 H GLY 99 H GLY 99 -8.907 -7.993 -14.148 819 HA2 GLY 99 2HA GLY 99 -9.200 -10.639 -13.335 820 HA3 GLY 99 3HA GLY 99 -8.425 -10.117 -14.824 821 H ASP 100 H ASP 100 -7.965 -11.114 -11.554 822 HA ASP 100 HA ASP 100 -6.331 -12.058 -10.370 823 HB2 ASP 100 2HB ASP 100 -4.979 -12.400 -13.064 824 HB3 ASP 100 3HB ASP 100 -4.323 -13.069 -11.571 825 H THR 101 H THR 101 -6.078 -9.091 -11.512 826 HA THR 101 HA THR 101 -3.631 -8.512 -9.948 827 HB THR 101 HB THR 101 -4.773 -6.830 -12.246 828 HG1 THR 101 HG1 THR 101 -3.153 -9.012 -12.258 829 HG21 THR 101 3HG2 THR 101 -3.549 -5.467 -10.569 830 HG22 THR 101 1HG2 THR 101 -2.627 -5.584 -12.072 831 HG23 THR 101 2HG2 THR 101 -2.170 -6.563 -10.677 832 H PHE 102 H PHE 102 -3.855 -6.758 -8.503 833 HA PHE 102 HA PHE 102 -6.562 -5.770 -7.916 834 HB2 PHE 102 2HB PHE 102 -6.030 -7.873 -6.567 835 HB3 PHE 102 3HB PHE 102 -4.674 -7.015 -5.846 836 HD1 PHE 102 HD2 PHE 102 -8.373 -6.613 -6.395 837 HD2 PHE 102 HD1 PHE 102 -5.047 -6.006 -3.753 838 HE1 PHE 102 HE2 PHE 102 -9.896 -5.799 -4.636 839 HE2 PHE 102 HE1 PHE 102 -6.583 -5.194 -2.011 840 HZ PHE 102 HZ PHE 102 -9.003 -5.091 -2.449 841 H GLU 103 H GLU 103 -6.259 -3.647 -8.168 842 HA GLU 103 HA GLU 103 -3.782 -2.374 -7.180 843 HB2 GLU 103 2HB GLU 103 -3.932 -2.350 -9.661 844 HB3 GLU 103 3HB GLU 103 -5.482 -1.519 -9.562 845 HG2 GLU 103 2HG GLU 103 -4.370 0.414 -8.469 846 HG3 GLU 103 3HG GLU 103 -2.820 -0.419 -8.576 847 H VAL 104 H VAL 104 -4.164 -1.176 -5.471 848 HA VAL 104 HA VAL 104 -6.701 0.325 -5.174 849 HB VAL 104 HB VAL 104 -4.665 -0.490 -3.029 850 HG11 VAL 104 1HG1 VAL 104 -5.795 1.619 -2.457 851 HG12 VAL 104 2HG1 VAL 104 -6.329 0.322 -1.388 852 HG13 VAL 104 3HG1 VAL 104 -7.371 0.864 -2.706 853 HG21 VAL 104 3HG2 VAL 104 -7.438 -1.625 -3.566 854 HG22 VAL 104 1HG2 VAL 104 -6.389 -2.068 -2.215 855 HG23 VAL 104 2HG2 VAL 104 -5.905 -2.446 -3.869 856 H GLU 105 H GLU 105 -6.309 2.312 -6.059 857 HA GLU 105 HA GLU 105 -3.603 3.464 -5.946 858 HB2 GLU 105 2HB GLU 105 -4.768 3.320 -8.154 859 HB3 GLU 105 3HB GLU 105 -6.032 4.385 -7.543 860 HG2 GLU 105 2HG GLU 105 -4.364 6.188 -7.226 861 HG3 GLU 105 3HG GLU 105 -3.094 5.123 -7.826 862 H VAL 106 H VAL 106 -3.157 4.936 -4.489 863 HA VAL 106 HA VAL 106 -5.252 5.997 -2.739 864 HB VAL 106 HB VAL 106 -2.235 6.182 -2.276 865 HG11 VAL 106 1HG1 VAL 106 -3.675 7.513 -0.791 866 HG12 VAL 106 2HG1 VAL 106 -2.869 6.223 0.103 867 HG13 VAL 106 3HG1 VAL 106 -4.571 6.062 -0.336 868 HG21 VAL 106 3HG2 VAL 106 -2.288 4.035 -1.058 869 HG22 VAL 106 1HG2 VAL 106 -2.699 3.811 -2.761 870 HG23 VAL 106 2HG2 VAL 106 -3.969 3.791 -1.539 871 H ILE 107 H ILE 107 -6.012 7.907 -3.503 872 HA ILE 107 HA ILE 107 -4.157 9.909 -4.628 873 HB ILE 107 HB ILE 107 -7.213 9.840 -4.712 874 HG12 ILE 107 2HG1 ILE 107 -6.215 8.082 -6.129 875 HG13 ILE 107 3HG1 ILE 107 -6.936 9.333 -7.133 876 HG21 ILE 107 1HG2 ILE 107 -6.395 12.157 -4.728 877 HG22 ILE 107 2HG2 ILE 107 -7.032 11.728 -6.316 878 HG23 ILE 107 3HG2 ILE 107 -5.288 11.781 -6.052 879 HD11 ILE 107 3HD1 ILE 107 -4.840 8.580 -8.054 880 HD12 ILE 107 1HD1 ILE 107 -3.993 8.977 -6.560 881 HD13 ILE 107 2HD1 ILE 107 -4.693 10.263 -7.550 882 H LEU 108 H LEU 108 -3.262 10.719 -2.842 883 HA LEU 108 HA LEU 108 -4.777 11.761 -0.608 884 HB2 LEU 108 2HB LEU 108 -1.830 12.120 -1.298 885 HB3 LEU 108 3HB LEU 108 -2.580 12.400 0.266 886 HG LEU 108 HG LEU 108 -2.252 9.689 -1.083 887 HD11 LEU 108 1HD1 LEU 108 -0.641 9.193 0.692 888 HD12 LEU 108 2HD1 LEU 108 -0.815 10.830 1.329 889 HD13 LEU 108 3HD1 LEU 108 -0.123 10.574 -0.274 890 HD21 LEU 108 3HD2 LEU 108 -3.432 10.366 1.623 891 HD22 LEU 108 1HD2 LEU 108 -3.076 8.738 1.041 892 HD23 LEU 108 2HD2 LEU 108 -4.291 9.717 0.227 893 H GLU 109 H GLU 109 -6.041 13.473 -1.215 894 HA GLU 109 HA GLU 109 -4.977 15.695 -2.799 895 HB2 GLU 109 2HB GLU 109 -7.747 15.091 -1.705 896 HB3 GLU 109 3HB GLU 109 -7.354 16.582 -2.549 897 HG2 GLU 109 2HG GLU 109 -7.102 13.805 -3.742 898 HG3 GLU 109 3HG GLU 109 -8.471 14.884 -3.993 899 H LEU 110 H LEU 110 -3.491 16.649 -1.423 900 HA LEU 110 HA LEU 110 -4.548 18.003 0.999 901 HB2 LEU 110 2HB LEU 110 -1.657 17.427 0.220 902 HB3 LEU 110 3HB LEU 110 -2.140 18.397 1.599 903 HG LEU 110 HG LEU 110 -3.338 16.295 2.496 904 HD11 LEU 110 1HD1 LEU 110 -3.417 14.974 0.468 905 HD12 LEU 110 2HD1 LEU 110 -2.508 14.120 1.710 906 HD13 LEU 110 3HD1 LEU 110 -1.655 14.923 0.388 907 HD21 LEU 110 3HD2 LEU 110 -0.323 16.207 2.268 908 HD22 LEU 110 1HD2 LEU 110 -1.310 15.388 3.481 909 HD23 LEU 110 2HD2 LEU 110 -1.248 17.146 3.441 910 H GLU 111 H GLU 111 -3.950 18.529 -2.228 911 HA GLU 111 HA GLU 111 -2.792 21.142 -2.197 912 HB2 GLU 111 2HB GLU 111 -4.298 19.598 -4.342 913 HB3 GLU 111 3HB GLU 111 -3.574 21.176 -4.621 914 HG2 GLU 111 2HG GLU 111 -2.010 18.739 -3.728 915 HG3 GLU 111 3HG GLU 111 -2.212 19.212 -5.411 916 H HIS 112 H HIS 112 -4.091 22.167 -0.602 917 HA HIS 112 HA HIS 112 -6.541 23.405 -1.695 918 HB2 HIS 112 2HB HIS 112 -7.097 21.525 -0.036 919 HB3 HIS 112 3HB HIS 112 -6.324 22.492 1.216 920 HD1 HIS 112 HD1 HIS 112 -9.262 22.608 -1.177 921 HD2 HIS 112 HD2 HIS 112 -7.973 24.431 2.331 922 HE1 HIS 112 HE1 HIS 112 -11.185 24.015 -0.400 923 HE2 HIS 112 HE2 HIS 112 -10.372 25.150 1.685 924 H HIS 113 H HIS 113 -3.457 23.842 -0.617 925 HA HIS 113 HA HIS 113 -3.778 26.344 0.815 926 HB2 HIS 113 2HB HIS 113 -1.832 24.839 1.261 927 HB3 HIS 113 3HB HIS 113 -1.262 25.092 -0.382 928 HD1 HIS 113 HD1 HIS 113 0.433 26.915 -0.640 929 HD2 HIS 113 HD2 HIS 113 -1.884 27.433 2.782 930 HE1 HIS 113 HE1 HIS 113 1.412 28.900 0.555 931 HE2 HIS 113 HE2 HIS 113 -0.029 29.224 2.583 932 H HIS 114 H HIS 114 -5.222 27.096 -0.860 933 HA HIS 114 HA HIS 114 -4.430 29.117 -2.528 934 HB2 HIS 114 2HB HIS 114 -4.709 28.225 -4.825 935 HB3 HIS 114 3HB HIS 114 -3.385 27.384 -4.025 936 HD1 HIS 114 HD1 HIS 114 -6.632 26.824 -5.694 937 HD2 HIS 114 HD2 HIS 114 -4.016 24.642 -3.307 938 HE1 HIS 114 HE1 HIS 114 -7.300 24.416 -5.970 939 HE2 HIS 114 HE2 HIS 114 -5.560 23.122 -4.712 940 H HIS 115 H HIS 115 -6.343 29.966 -3.734 941 HA HIS 115 HA HIS 115 -8.534 30.411 -4.136 942 HB2 HIS 115 2HB HIS 115 -8.772 28.099 -4.895 943 HB3 HIS 115 3HB HIS 115 -8.941 27.525 -3.244 944 HD1 HIS 115 HD1 HIS 115 -10.866 29.372 -5.934 945 HD2 HIS 115 HD2 HIS 115 -11.535 27.491 -2.283 946 HE1 HIS 115 HE1 HIS 115 -13.357 29.235 -5.682 947 HE2 HIS 115 HE2 HIS 115 -13.738 28.194 -3.428 948 H HIS 116 H HIS 116 -7.190 30.183 -1.225 949 HA HIS 116 HA HIS 116 -9.240 30.285 0.711 950 HB2 HIS 116 2HB HIS 116 -6.848 29.956 1.253 951 HB3 HIS 116 3HB HIS 116 -6.476 31.583 0.700 952 HD1 HIS 116 HD1 HIS 116 -7.531 29.666 3.668 953 HD2 HIS 116 HD2 HIS 116 -7.422 33.662 2.511 954 HE1 HIS 116 HE1 HIS 116 -7.800 31.001 5.783 955 HE2 HIS 116 HE2 HIS 116 -7.828 33.397 5.044 956 H HIS 117 H HIS 117 -7.689 32.792 -1.255 957 HA HIS 117 HA HIS 117 -9.475 34.899 -0.352 958 HB2 HIS 117 2HB HIS 117 -7.153 35.472 -1.012 959 HB3 HIS 117 3HB HIS 117 -7.448 34.876 -2.642 960 HD1 HIS 117 HD1 HIS 117 -8.421 37.699 -0.314 961 HD2 HIS 117 HD2 HIS 117 -8.658 36.733 -4.356 962 HE1 HIS 117 HE1 HIS 117 -9.182 39.790 -1.468 963 HE2 HIS 117 HE2 HIS 117 -9.516 39.122 -3.862 Start of MODEL 19 1 H1 MET 1 1H MET 1 11.164 -14.657 -8.628 2 H2 MET 1 2H MET 1 11.893 -15.915 -7.769 3 H3 MET 1 3H MET 1 10.261 -15.576 -7.535 4 HA MET 1 HA MET 1 9.736 -16.225 -9.758 5 HB2 MET 1 2HB MET 1 12.717 -16.854 -9.953 6 HB3 MET 1 3HB MET 1 11.526 -17.300 -11.168 7 HG2 MET 1 2HG MET 1 11.045 -14.880 -11.531 8 HG3 MET 1 3HG MET 1 12.311 -14.482 -10.370 9 HE1 MET 1 3HE MET 1 13.078 -16.474 -14.476 10 HE2 MET 1 1HE MET 1 11.483 -15.965 -13.917 11 HE3 MET 1 2HE MET 1 12.295 -17.339 -13.158 12 H ALA 2 H ALA 2 8.478 -17.561 -8.455 13 HA ALA 2 HA ALA 2 9.592 -20.202 -7.686 14 HB1 ALA 2 3HB ALA 2 8.322 -20.120 -5.577 15 HB2 ALA 2 1HB ALA 2 7.758 -18.489 -5.966 16 HB3 ALA 2 2HB ALA 2 9.473 -18.787 -5.675 17 H GLY 3 H GLY 3 6.833 -18.297 -8.797 18 HA2 GLY 3 2HA GLY 3 5.210 -19.154 -10.309 19 HA3 GLY 3 3HA GLY 3 5.431 -20.764 -9.633 20 H LYS 4 H LYS 4 4.730 -21.092 -7.423 21 HA LYS 4 HA LYS 4 2.336 -19.772 -6.599 22 HB2 LYS 4 2HB LYS 4 2.439 -21.199 -4.569 23 HB3 LYS 4 3HB LYS 4 2.607 -22.137 -6.037 24 HG2 LYS 4 2HG LYS 4 4.975 -21.352 -4.312 25 HG3 LYS 4 3HG LYS 4 4.056 -22.834 -4.069 26 HD2 LYS 4 2HD LYS 4 4.683 -23.649 -6.283 27 HD3 LYS 4 3HD LYS 4 5.487 -22.119 -6.656 28 HE2 LYS 4 2HE LYS 4 7.133 -23.823 -6.056 29 HE3 LYS 4 3HE LYS 4 7.119 -22.548 -4.840 30 HZ1 LYS 4 3HZ LYS 4 5.709 -23.996 -3.461 31 HZ2 LYS 4 1HZ LYS 4 7.213 -24.687 -3.790 32 HZ3 LYS 4 2HZ LYS 4 5.840 -25.218 -4.615 33 H GLU 5 H GLU 5 3.024 -17.602 -6.618 34 HA GLU 5 HA GLU 5 4.733 -16.637 -4.451 35 HB2 GLU 5 2HB GLU 5 6.324 -17.294 -6.167 36 HB3 GLU 5 3HB GLU 5 5.435 -16.408 -7.402 37 HG2 GLU 5 2HG GLU 5 5.999 -14.297 -6.328 38 HG3 GLU 5 3HG GLU 5 6.814 -15.153 -5.018 39 H LEU 6 H LEU 6 3.916 -14.812 -3.708 40 HA LEU 6 HA LEU 6 1.835 -13.379 -5.156 41 HB2 LEU 6 2HB LEU 6 2.913 -13.052 -2.325 42 HB3 LEU 6 3HB LEU 6 1.611 -12.093 -3.009 43 HG LEU 6 HG LEU 6 0.311 -14.296 -3.318 44 HD11 LEU 6 1HD1 LEU 6 2.390 -15.407 -1.421 45 HD12 LEU 6 2HD1 LEU 6 2.144 -15.893 -3.099 46 HD13 LEU 6 3HD1 LEU 6 0.887 -16.202 -1.904 47 HD21 LEU 6 3HD2 LEU 6 -0.499 -14.320 -1.008 48 HD22 LEU 6 1HD2 LEU 6 -0.247 -12.673 -1.586 49 HD23 LEU 6 2HD2 LEU 6 0.924 -13.411 -0.492 50 H ARG 7 H ARG 7 2.749 -12.165 -6.725 51 HA ARG 7 HA ARG 7 5.193 -10.623 -6.249 52 HB2 ARG 7 2HB ARG 7 3.596 -11.140 -8.795 53 HB3 ARG 7 3HB ARG 7 5.053 -10.149 -8.726 54 HG2 ARG 7 2HG ARG 7 6.343 -12.110 -7.947 55 HG3 ARG 7 3HG ARG 7 4.891 -13.107 -8.060 56 HD2 ARG 7 2HD ARG 7 4.796 -12.742 -10.480 57 HD3 ARG 7 3HD ARG 7 6.184 -11.647 -10.395 58 HE ARG 7 HE ARG 7 7.068 -13.988 -9.295 59 HH11 ARG 7 1HH1 ARG 7 5.728 -13.142 -12.455 60 HH12 ARG 7 2HH1 ARG 7 6.601 -14.399 -13.276 61 HH21 ARG 7 1HH2 ARG 7 8.184 -15.583 -10.367 62 HH22 ARG 7 2HH2 ARG 7 8.000 -15.789 -12.084 63 H VAL 8 H VAL 8 5.211 -8.507 -5.906 64 HA VAL 8 HA VAL 8 2.723 -6.916 -6.215 65 HB VAL 8 HB VAL 8 3.496 -5.526 -4.292 66 HG11 VAL 8 1HG1 VAL 8 3.002 -7.123 -2.489 67 HG12 VAL 8 2HG1 VAL 8 3.260 -8.470 -3.599 68 HG13 VAL 8 3HG1 VAL 8 1.919 -7.354 -3.865 69 HG21 VAL 8 3HG2 VAL 8 5.335 -6.289 -2.837 70 HG22 VAL 8 1HG2 VAL 8 5.919 -5.929 -4.461 71 HG23 VAL 8 2HG2 VAL 8 5.690 -7.603 -3.958 72 H GLU 9 H GLU 9 2.903 -5.085 -7.401 73 HA GLU 9 HA GLU 9 5.554 -3.771 -7.645 74 HB2 GLU 9 2HB GLU 9 4.752 -4.360 -9.869 75 HB3 GLU 9 3HB GLU 9 3.154 -3.698 -9.538 76 HG2 GLU 9 2HG GLU 9 3.989 -1.442 -9.567 77 HG3 GLU 9 3HG GLU 9 5.659 -1.983 -9.553 78 H ILE 10 H ILE 10 5.418 -2.606 -5.707 79 HA ILE 10 HA ILE 10 3.013 -0.982 -5.212 80 HB ILE 10 HB ILE 10 5.619 -1.102 -3.587 81 HG12 ILE 10 2HG1 ILE 10 4.640 -3.362 -3.650 82 HG13 ILE 10 3HG1 ILE 10 4.473 -2.679 -2.040 83 HG21 ILE 10 1HG2 ILE 10 2.867 -0.083 -2.791 84 HG22 ILE 10 2HG2 ILE 10 4.296 0.903 -3.113 85 HG23 ILE 10 3HG2 ILE 10 4.274 -0.189 -1.727 86 HD11 ILE 10 3HD1 ILE 10 2.302 -2.948 -4.118 87 HD12 ILE 10 1HD1 ILE 10 2.099 -2.183 -2.540 88 HD13 ILE 10 2HD1 ILE 10 2.494 -3.898 -2.647 89 H LYS 11 H LYS 11 3.005 0.807 -6.522 90 HA LYS 11 HA LYS 11 5.538 1.990 -7.426 91 HB2 LYS 11 2HB LYS 11 3.550 1.247 -9.003 92 HB3 LYS 11 3HB LYS 11 2.809 2.764 -8.529 93 HG2 LYS 11 2HG LYS 11 5.533 2.500 -9.853 94 HG3 LYS 11 3HG LYS 11 4.040 2.875 -10.706 95 HD2 LYS 11 2HD LYS 11 3.856 5.022 -9.584 96 HD3 LYS 11 3HD LYS 11 5.185 4.625 -8.493 97 HE2 LYS 11 2HE LYS 11 6.736 4.601 -10.447 98 HE3 LYS 11 3HE LYS 11 5.400 5.081 -11.492 99 HZ1 LYS 11 3HZ LYS 11 5.175 7.118 -10.178 100 HZ2 LYS 11 1HZ LYS 11 6.709 6.996 -10.874 101 HZ3 LYS 11 2HZ LYS 11 6.497 6.674 -9.226 102 H ILE 12 H ILE 12 6.248 3.685 -6.372 103 HA ILE 12 HA ILE 12 4.469 5.345 -4.738 104 HB ILE 12 HB ILE 12 7.504 5.396 -4.944 105 HG12 ILE 12 2HG1 ILE 12 6.740 3.189 -4.092 106 HG13 ILE 12 3HG1 ILE 12 7.583 4.100 -2.848 107 HG21 ILE 12 1HG2 ILE 12 5.655 6.627 -2.880 108 HG22 ILE 12 2HG2 ILE 12 6.561 7.496 -4.122 109 HG23 ILE 12 3HG2 ILE 12 7.416 6.651 -2.833 110 HD11 ILE 12 3HD1 ILE 12 5.690 2.944 -1.923 111 HD12 ILE 12 1HD1 ILE 12 4.601 3.716 -3.074 112 HD13 ILE 12 2HD1 ILE 12 5.411 4.682 -1.837 113 H ASP 13 H ASP 13 3.842 7.277 -5.426 114 HA ASP 13 HA ASP 13 5.043 8.637 -7.736 115 HB2 ASP 13 2HB ASP 13 2.622 8.497 -7.680 116 HB3 ASP 13 3HB ASP 13 2.559 9.096 -6.034 117 H CYS 14 H CYS 14 6.169 10.569 -7.524 118 HA CYS 14 HA CYS 14 6.211 12.269 -5.264 119 HB2 CYS 14 2HB CYS 14 7.576 10.423 -4.266 120 HB3 CYS 14 3HB CYS 14 8.729 10.561 -5.590 121 HG CYS 14 HG CYS 14 8.179 12.696 -2.994 122 H GLY 15 H GLY 15 8.339 11.017 -7.855 123 HA2 GLY 15 2HA GLY 15 8.094 13.061 -9.688 124 HA3 GLY 15 3HA GLY 15 9.413 13.559 -8.621 125 H ASN 16 H ASN 16 8.285 10.608 -10.323 126 HA ASN 16 HA ASN 16 11.029 9.588 -10.432 127 HB2 ASN 16 2HB ASN 16 8.411 8.212 -11.154 128 HB3 ASN 16 3HB ASN 16 9.991 7.437 -11.068 129 HD21 ASN 16 1HD2 ASN 16 10.976 7.178 -9.006 130 HD22 ASN 16 2HD2 ASN 16 10.042 7.240 -7.554 131 H ASP 17 H ASP 17 11.308 11.504 -11.982 132 HA ASP 17 HA ASP 17 10.849 10.966 -14.780 133 HB2 ASP 17 2HB ASP 17 12.926 12.757 -13.420 134 HB3 ASP 17 3HB ASP 17 12.615 12.720 -15.150 135 H ASP 18 H ASP 18 13.399 10.435 -12.437 136 HA ASP 18 HA ASP 18 14.535 8.242 -14.064 137 HB2 ASP 18 2HB ASP 18 16.038 10.177 -12.235 138 HB3 ASP 18 3HB ASP 18 16.741 8.711 -12.907 139 H LYS 19 H LYS 19 15.205 6.422 -12.865 140 HA LYS 19 HA LYS 19 15.257 4.826 -11.289 141 HB2 LYS 19 2HB LYS 19 14.888 7.067 -9.258 142 HB3 LYS 19 3HB LYS 19 15.330 5.407 -8.875 143 HG2 LYS 19 2HG LYS 19 17.455 5.648 -10.049 144 HG3 LYS 19 3HG LYS 19 17.015 7.281 -10.570 145 HD2 LYS 19 2HD LYS 19 16.940 8.001 -8.176 146 HD3 LYS 19 3HD LYS 19 17.420 6.374 -7.684 147 HE2 LYS 19 2HE LYS 19 19.563 6.637 -8.870 148 HE3 LYS 19 3HE LYS 19 19.076 8.248 -9.402 149 HZ1 LYS 19 3HZ LYS 19 20.544 8.318 -7.464 150 HZ2 LYS 19 1HZ LYS 19 19.425 7.426 -6.562 151 HZ3 LYS 19 2HZ LYS 19 19.025 8.973 -7.109 152 H GLU 20 H GLU 20 13.501 3.590 -11.725 153 HA GLU 20 HA GLU 20 10.814 4.188 -10.832 154 HB2 GLU 20 2HB GLU 20 11.139 2.767 -12.805 155 HB3 GLU 20 3HB GLU 20 12.100 1.622 -11.878 156 HG2 GLU 20 2HG GLU 20 10.084 1.026 -10.539 157 HG3 GLU 20 3HG GLU 20 9.126 2.166 -11.479 158 H THR 21 H THR 21 10.265 4.086 -8.695 159 HA THR 21 HA THR 21 11.671 2.193 -6.920 160 HB THR 21 HB THR 21 11.846 4.412 -6.030 161 HG1 THR 21 HG1 THR 21 10.837 2.476 -4.678 162 HG21 THR 21 3HG2 THR 21 9.983 5.546 -7.177 163 HG22 THR 21 1HG2 THR 21 9.932 5.839 -5.437 164 HG23 THR 21 2HG2 THR 21 8.825 4.677 -6.166 165 H THR 22 H THR 22 10.684 0.329 -7.048 166 HA THR 22 HA THR 22 7.849 0.142 -6.227 167 HB THR 22 HB THR 22 7.738 -2.038 -7.479 168 HG1 THR 22 HG1 THR 22 9.769 -2.694 -7.818 169 HG21 THR 22 3HG2 THR 22 8.408 0.350 -9.248 170 HG22 THR 22 1HG2 THR 22 6.822 -0.011 -8.557 171 HG23 THR 22 2HG2 THR 22 7.531 -1.094 -9.755 172 H TYR 23 H TYR 23 7.455 -1.271 -4.551 173 HA TYR 23 HA TYR 23 9.855 -2.302 -3.162 174 HB2 TYR 23 2HB TYR 23 7.130 -1.374 -2.156 175 HB3 TYR 23 3HB TYR 23 8.235 -2.291 -1.131 176 HD1 TYR 23 HD2 TYR 23 10.543 -1.339 -0.648 177 HD2 TYR 23 HD1 TYR 23 7.470 1.020 -2.453 178 HE1 TYR 23 HE2 TYR 23 11.774 0.707 -0.071 179 HE2 TYR 23 HE1 TYR 23 8.715 3.067 -1.879 180 HH TYR 23 HH TYR 23 11.940 3.030 -0.806 181 H ASP 24 H ASP 24 10.158 -4.390 -2.967 182 HA ASP 24 HA ASP 24 8.131 -6.325 -3.817 183 HB2 ASP 24 2HB ASP 24 11.110 -6.616 -3.214 184 HB3 ASP 24 3HB ASP 24 10.066 -7.979 -3.612 185 H LEU 25 H LEU 25 7.153 -7.708 -2.467 186 HA LEU 25 HA LEU 25 8.052 -8.343 0.178 187 HB2 LEU 25 2HB LEU 25 6.072 -7.481 1.385 188 HB3 LEU 25 3HB LEU 25 7.048 -6.200 0.707 189 HG LEU 25 HG LEU 25 5.158 -6.500 -1.284 190 HD11 LEU 25 1HD1 LEU 25 3.646 -7.016 1.291 191 HD12 LEU 25 2HD1 LEU 25 3.804 -8.127 -0.074 192 HD13 LEU 25 3HD1 LEU 25 2.923 -6.613 -0.270 193 HD21 LEU 25 3HD2 LEU 25 4.894 -4.687 1.113 194 HD22 LEU 25 1HD2 LEU 25 4.147 -4.452 -0.470 195 HD23 LEU 25 2HD2 LEU 25 5.901 -4.388 -0.307 196 H TYR 26 H TYR 26 6.983 -10.165 0.985 197 HA TYR 26 HA TYR 26 5.231 -11.603 -0.917 198 HB2 TYR 26 2HB TYR 26 7.691 -12.702 0.522 199 HB3 TYR 26 3HB TYR 26 6.566 -13.679 -0.415 200 HD1 TYR 26 HD1 TYR 26 6.426 -13.389 -2.896 201 HD2 TYR 26 HD2 TYR 26 9.389 -11.328 -0.599 202 HE1 TYR 26 HE1 TYR 26 7.653 -12.849 -4.949 203 HE2 TYR 26 HE2 TYR 26 10.617 -10.801 -2.666 204 HH TYR 26 HH TYR 26 9.240 -11.299 -5.782 205 H PHE 27 H PHE 27 3.427 -11.267 0.284 206 HA PHE 27 HA PHE 27 3.138 -11.846 3.050 207 HB2 PHE 27 2HB PHE 27 1.496 -10.382 2.170 208 HB3 PHE 27 3HB PHE 27 1.179 -11.409 0.774 209 HD1 PHE 27 HD2 PHE 27 0.967 -11.637 4.535 210 HD2 PHE 27 HD1 PHE 27 -0.887 -12.561 0.799 211 HE1 PHE 27 HE2 PHE 27 -0.911 -12.693 5.711 212 HE2 PHE 27 HE1 PHE 27 -2.749 -13.615 2.000 213 HZ PHE 27 HZ PHE 27 -2.759 -13.687 4.453 214 H SER 28 H SER 28 2.848 -13.678 4.031 215 HA SER 28 HA SER 28 1.729 -16.075 2.790 216 HB2 SER 28 2HB SER 28 4.474 -16.041 4.132 217 HB3 SER 28 3HB SER 28 3.611 -17.508 3.661 218 HG SER 28 HG SER 28 3.655 -16.084 1.500 219 H LYS 29 H LYS 29 2.734 -14.222 5.596 220 HA LYS 29 HA LYS 29 0.602 -15.476 7.203 221 HB2 LYS 29 2HB LYS 29 3.379 -15.770 7.779 222 HB3 LYS 29 3HB LYS 29 2.837 -14.516 8.887 223 HG2 LYS 29 2HG LYS 29 2.686 -16.708 9.937 224 HG3 LYS 29 3HG LYS 29 1.067 -16.031 9.731 225 HD2 LYS 29 2HD LYS 29 0.746 -17.437 7.709 226 HD3 LYS 29 3HD LYS 29 2.362 -18.114 7.915 227 HE2 LYS 29 2HE LYS 29 1.665 -19.091 10.074 228 HE3 LYS 29 3HE LYS 29 0.052 -18.401 9.863 229 HZ1 LYS 29 3HZ LYS 29 -0.238 -19.748 7.884 230 HZ2 LYS 29 1HZ LYS 29 0.150 -20.736 9.201 231 HZ3 LYS 29 2HZ LYS 29 1.319 -20.375 8.038 232 H ALA 30 H ALA 30 -0.689 -14.025 8.225 233 HA ALA 30 HA ALA 30 -0.786 -11.369 7.291 234 HB1 ALA 30 3HB ALA 30 -2.342 -12.627 9.584 235 HB2 ALA 30 1HB ALA 30 -2.805 -12.645 7.881 236 HB3 ALA 30 2HB ALA 30 -2.745 -11.117 8.760 237 H GLU 31 H GLU 31 0.503 -12.781 10.246 238 HA GLU 31 HA GLU 31 0.863 -10.511 11.859 239 HB2 GLU 31 2HB GLU 31 1.195 -12.836 12.663 240 HB3 GLU 31 3HB GLU 31 2.614 -13.006 11.635 241 HG2 GLU 31 2HG GLU 31 3.675 -11.118 12.950 242 HG3 GLU 31 3HG GLU 31 2.304 -11.197 14.055 243 H GLU 32 H GLU 32 3.035 -12.027 9.514 244 HA GLU 32 HA GLU 32 5.147 -10.135 9.674 245 HB2 GLU 32 2HB GLU 32 4.486 -12.083 7.416 246 HB3 GLU 32 3HB GLU 32 6.026 -11.260 7.660 247 HG2 GLU 32 2HG GLU 32 6.291 -12.454 9.842 248 HG3 GLU 32 3HG GLU 32 4.799 -13.331 9.513 249 H ALA 33 H ALA 33 2.320 -10.489 7.571 250 HA ALA 33 HA ALA 33 2.889 -8.587 5.602 251 HB1 ALA 33 3HB ALA 33 1.058 -10.210 5.419 252 HB2 ALA 33 1HB ALA 33 0.475 -8.571 5.157 253 HB3 ALA 33 2HB ALA 33 0.167 -9.381 6.697 254 H LYS 34 H LYS 34 1.354 -8.206 8.804 255 HA LYS 34 HA LYS 34 0.717 -5.455 8.488 256 HB2 LYS 34 2HB LYS 34 1.085 -7.049 11.056 257 HB3 LYS 34 3HB LYS 34 0.447 -5.410 10.974 258 HG2 LYS 34 2HG LYS 34 -1.318 -6.465 9.311 259 HG3 LYS 34 3HG LYS 34 -0.828 -7.983 10.062 260 HD2 LYS 34 2HD LYS 34 -2.789 -7.166 11.223 261 HD3 LYS 34 3HD LYS 34 -1.403 -7.001 12.302 262 HE2 LYS 34 2HE LYS 34 -1.261 -4.610 11.809 263 HE3 LYS 34 3HE LYS 34 -2.562 -4.751 10.622 264 HZ1 LYS 34 3HZ LYS 34 -2.828 -5.237 13.550 265 HZ2 LYS 34 1HZ LYS 34 -4.067 -5.395 12.407 266 HZ3 LYS 34 2HZ LYS 34 -3.385 -3.879 12.709 267 H GLU 35 H GLU 35 3.704 -7.081 9.448 268 HA GLU 35 HA GLU 35 5.030 -4.622 10.149 269 HB2 GLU 35 2HB GLU 35 5.793 -6.813 11.042 270 HB3 GLU 35 3HB GLU 35 6.326 -7.279 9.427 271 HG2 GLU 35 2HG GLU 35 8.043 -5.625 9.399 272 HG3 GLU 35 3HG GLU 35 7.355 -4.762 10.770 273 H LEU 36 H LEU 36 4.564 -6.438 7.104 274 HA LEU 36 HA LEU 36 6.245 -4.727 5.534 275 HB2 LEU 36 2HB LEU 36 3.935 -6.537 4.779 276 HB3 LEU 36 3HB LEU 36 4.633 -5.446 3.596 277 HG LEU 36 HG LEU 36 5.694 -7.500 3.181 278 HD11 LEU 36 1HD1 LEU 36 7.287 -5.653 3.203 279 HD12 LEU 36 2HD1 LEU 36 8.058 -7.168 3.659 280 HD13 LEU 36 3HD1 LEU 36 7.670 -5.972 4.898 281 HD21 LEU 36 3HD2 LEU 36 6.756 -8.963 4.834 282 HD22 LEU 36 1HD2 LEU 36 5.038 -8.749 5.166 283 HD23 LEU 36 2HD2 LEU 36 6.236 -7.892 6.138 284 H LEU 37 H LEU 37 2.912 -4.456 6.645 285 HA LEU 37 HA LEU 37 2.198 -2.022 5.401 286 HB2 LEU 37 2HB LEU 37 0.358 -2.944 6.458 287 HB3 LEU 37 3HB LEU 37 1.303 -3.611 7.769 288 HG LEU 37 HG LEU 37 1.357 -1.273 8.807 289 HD11 LEU 37 1HD1 LEU 37 -0.339 0.366 8.103 290 HD12 LEU 37 2HD1 LEU 37 -0.737 -0.643 6.711 291 HD13 LEU 37 3HD1 LEU 37 0.864 0.084 6.845 292 HD21 LEU 37 3HD2 LEU 37 -0.126 -3.015 9.652 293 HD22 LEU 37 1HD2 LEU 37 -1.357 -2.582 8.463 294 HD23 LEU 37 2HD2 LEU 37 -0.915 -1.443 9.739 295 H LYS 38 H LYS 38 3.895 -2.734 8.442 296 HA LYS 38 HA LYS 38 4.342 -0.151 9.426 297 HB2 LYS 38 2HB LYS 38 4.655 -2.258 10.712 298 HB3 LYS 38 3HB LYS 38 6.061 -2.648 9.736 299 HG2 LYS 38 2HG LYS 38 7.123 -0.505 10.649 300 HG3 LYS 38 3HG LYS 38 5.776 -0.427 11.784 301 HD2 LYS 38 2HD LYS 38 7.812 -2.685 11.558 302 HD3 LYS 38 3HD LYS 38 7.717 -1.492 12.852 303 HE2 LYS 38 2HE LYS 38 5.535 -2.391 13.545 304 HE3 LYS 38 3HE LYS 38 5.584 -3.554 12.217 305 HZ1 LYS 38 3HZ LYS 38 7.498 -3.438 14.487 306 HZ2 LYS 38 1HZ LYS 38 7.542 -4.561 13.221 307 HZ3 LYS 38 2HZ LYS 38 6.248 -4.559 14.310 308 H LYS 39 H LYS 39 6.235 -2.127 7.150 309 HA LYS 39 HA LYS 39 8.480 -0.346 7.012 310 HB2 LYS 39 2HB LYS 39 7.646 -2.692 5.247 311 HB3 LYS 39 3HB LYS 39 9.178 -1.836 5.081 312 HG2 LYS 39 2HG LYS 39 9.850 -2.531 7.328 313 HG3 LYS 39 3HG LYS 39 8.292 -3.318 7.574 314 HD2 LYS 39 2HD LYS 39 8.831 -4.868 5.678 315 HD3 LYS 39 3HD LYS 39 10.428 -4.121 5.562 316 HE2 LYS 39 2HE LYS 39 9.316 -5.634 7.952 317 HE3 LYS 39 3HE LYS 39 10.553 -6.209 6.834 318 HZ1 LYS 39 3HZ LYS 39 11.576 -5.411 8.839 319 HZ2 LYS 39 1HZ LYS 39 10.802 -3.913 8.703 320 HZ3 LYS 39 2HZ LYS 39 11.976 -4.360 7.575 321 H VAL 40 H VAL 40 5.866 -1.159 4.668 322 HA VAL 40 HA VAL 40 6.803 0.530 2.601 323 HB VAL 40 HB VAL 40 4.090 -0.808 3.033 324 HG11 VAL 40 1HG1 VAL 40 3.566 -0.364 0.655 325 HG12 VAL 40 2HG1 VAL 40 5.017 0.630 0.517 326 HG13 VAL 40 3HG1 VAL 40 3.702 1.136 1.578 327 HG21 VAL 40 3HG2 VAL 40 6.396 -1.507 1.177 328 HG22 VAL 40 1HG2 VAL 40 4.871 -2.391 1.311 329 HG23 VAL 40 2HG2 VAL 40 5.987 -2.342 2.677 330 H ALA 41 H ALA 41 4.326 1.052 5.124 331 HA ALA 41 HA ALA 41 3.357 3.510 4.081 332 HB1 ALA 41 3HB ALA 41 2.037 2.106 5.601 333 HB2 ALA 41 1HB ALA 41 2.185 3.754 6.206 334 HB3 ALA 41 2HB ALA 41 3.159 2.463 6.916 335 H GLU 42 H GLU 42 5.998 2.750 6.348 336 HA GLU 42 HA GLU 42 6.586 5.502 6.986 337 HB2 GLU 42 2HB GLU 42 8.281 2.991 7.286 338 HB3 GLU 42 3HB GLU 42 8.780 4.578 7.853 339 HG2 GLU 42 2HG GLU 42 6.366 3.041 8.832 340 HG3 GLU 42 3HG GLU 42 7.908 3.168 9.664 341 H LYS 43 H LYS 43 7.763 3.165 4.584 342 HA LYS 43 HA LYS 43 9.900 4.716 3.535 343 HB2 LYS 43 2HB LYS 43 8.238 2.538 2.197 344 HB3 LYS 43 3HB LYS 43 9.695 3.228 1.500 345 HG2 LYS 43 2HG LYS 43 9.535 1.630 4.066 346 HG3 LYS 43 3HG LYS 43 10.120 1.039 2.515 347 HD2 LYS 43 2HD LYS 43 12.012 2.622 2.615 348 HD3 LYS 43 3HD LYS 43 11.404 3.266 4.144 349 HE2 LYS 43 2HE LYS 43 11.705 1.009 5.173 350 HE3 LYS 43 3HE LYS 43 12.397 0.434 3.653 351 HZ1 LYS 43 3HZ LYS 43 13.509 2.620 5.345 352 HZ2 LYS 43 1HZ LYS 43 14.170 2.078 3.888 353 HZ3 LYS 43 2HZ LYS 43 14.128 1.050 5.227 354 H ALA 44 H ALA 44 6.454 4.552 2.835 355 HA ALA 44 HA ALA 44 6.464 6.305 0.544 356 HB1 ALA 44 3HB ALA 44 4.157 5.385 2.316 357 HB2 ALA 44 1HB ALA 44 4.704 4.609 0.829 358 HB3 ALA 44 2HB ALA 44 4.002 6.225 0.768 359 H ALA 45 H ALA 45 5.795 6.615 4.044 360 HA ALA 45 HA ALA 45 5.002 9.325 4.081 361 HB1 ALA 45 3HB ALA 45 6.364 7.747 6.287 362 HB2 ALA 45 1HB ALA 45 4.628 7.809 5.972 363 HB3 ALA 45 2HB ALA 45 5.480 9.265 6.486 364 H ASP 46 H ASP 46 8.150 7.811 4.035 365 HA ASP 46 HA ASP 46 9.853 10.027 4.532 366 HB2 ASP 46 2HB ASP 46 10.746 7.801 4.712 367 HB3 ASP 46 3HB ASP 46 10.212 7.364 3.102 368 H LYS 47 H LYS 47 8.372 8.708 1.611 369 HA LYS 47 HA LYS 47 9.718 10.370 -0.283 370 HB2 LYS 47 2HB LYS 47 7.047 8.934 -0.572 371 HB3 LYS 47 3HB LYS 47 8.020 9.578 -1.889 372 HG2 LYS 47 2HG LYS 47 8.840 7.344 -0.030 373 HG3 LYS 47 3HG LYS 47 8.246 7.148 -1.674 374 HD2 LYS 47 2HD LYS 47 10.201 8.382 -2.536 375 HD3 LYS 47 3HD LYS 47 10.797 8.600 -0.884 376 HE2 LYS 47 2HE LYS 47 10.406 5.940 -2.293 377 HE3 LYS 47 3HE LYS 47 11.949 6.744 -1.998 378 HZ1 LYS 47 3HZ LYS 47 11.520 5.032 -0.364 379 HZ2 LYS 47 1HZ LYS 47 10.082 5.787 0.102 380 HZ3 LYS 47 2HZ LYS 47 11.563 6.554 0.373 381 H ILE 48 H ILE 48 6.658 10.527 1.435 382 HA ILE 48 HA ILE 48 5.595 12.902 0.314 383 HB ILE 48 HB ILE 48 5.108 11.614 3.049 384 HG12 ILE 48 2HG1 ILE 48 3.279 11.371 0.626 385 HG13 ILE 48 3HG1 ILE 48 4.627 10.266 0.864 386 HG21 ILE 48 1HG2 ILE 48 3.413 13.694 1.616 387 HG22 ILE 48 2HG2 ILE 48 4.353 13.951 3.087 388 HG23 ILE 48 3HG2 ILE 48 2.970 12.861 3.104 389 HD11 ILE 48 3HD1 ILE 48 2.516 9.340 1.640 390 HD12 ILE 48 1HD1 ILE 48 2.359 10.654 2.806 391 HD13 ILE 48 2HD1 ILE 48 3.687 9.505 2.945 392 H LYS 49 H LYS 49 7.759 12.193 3.012 393 HA LYS 49 HA LYS 49 7.835 14.701 4.273 394 HB2 LYS 49 2HB LYS 49 8.707 12.584 5.288 395 HB3 LYS 49 3HB LYS 49 10.026 12.583 4.131 396 HG2 LYS 49 2HG LYS 49 10.961 13.365 6.144 397 HG3 LYS 49 3HG LYS 49 10.769 14.799 5.146 398 HD2 LYS 49 2HD LYS 49 8.707 14.026 7.239 399 HD3 LYS 49 3HD LYS 49 10.144 14.952 7.655 400 HE2 LYS 49 2HE LYS 49 9.465 16.731 6.101 401 HE3 LYS 49 3HE LYS 49 8.030 15.803 5.652 402 HZ1 LYS 49 3HZ LYS 49 8.640 16.857 8.366 403 HZ2 LYS 49 1HZ LYS 49 7.274 15.950 7.954 404 HZ3 LYS 49 2HZ LYS 49 7.494 17.485 7.291 405 H LYS 50 H LYS 50 9.786 13.329 1.651 406 HA LYS 50 HA LYS 50 11.376 15.671 1.183 407 HB2 LYS 50 2HB LYS 50 10.823 13.211 -0.530 408 HB3 LYS 50 3HB LYS 50 11.988 14.460 -0.956 409 HG2 LYS 50 2HG LYS 50 13.280 13.942 1.099 410 HG3 LYS 50 3HG LYS 50 12.117 12.676 1.500 411 HD2 LYS 50 2HD LYS 50 12.725 11.440 -0.543 412 HD3 LYS 50 3HD LYS 50 13.845 12.727 -1.011 413 HE2 LYS 50 2HE LYS 50 15.036 10.814 -0.013 414 HE3 LYS 50 3HE LYS 50 15.226 12.262 0.977 415 HZ1 LYS 50 3HZ LYS 50 13.396 9.977 1.505 416 HZ2 LYS 50 1HZ LYS 50 13.428 11.400 2.409 417 HZ3 LYS 50 2HZ LYS 50 14.780 10.394 2.382 418 H GLN 51 H GLN 51 8.473 14.278 -0.339 419 HA GLN 51 HA GLN 51 7.475 16.785 -1.326 420 HB2 GLN 51 2HB GLN 51 9.267 16.230 -3.040 421 HB3 GLN 51 3HB GLN 51 8.394 14.750 -3.419 422 HG2 GLN 51 2HG GLN 51 7.936 16.469 -5.082 423 HG3 GLN 51 3HG GLN 51 6.472 16.079 -4.183 424 HE21 GLN 51 1HE2 GLN 51 9.063 18.165 -2.944 425 HE22 GLN 51 2HE2 GLN 51 8.129 19.614 -2.962 426 H GLY 52 H GLY 52 5.354 16.539 -0.950 427 HA2 GLY 52 2HA GLY 52 4.112 14.232 -0.042 428 HA3 GLY 52 3HA GLY 52 3.270 15.668 -0.586 429 H CYS 53 H CYS 53 3.593 12.386 -1.111 430 HA CYS 53 HA CYS 53 3.169 12.202 -3.925 431 HB2 CYS 53 2HB CYS 53 2.539 9.857 -3.483 432 HB3 CYS 53 3HB CYS 53 3.999 10.284 -2.601 433 HG CYS 53 HG CYS 53 1.335 10.787 -0.720 434 H LYS 54 H LYS 54 1.385 12.663 -5.040 435 HA LYS 54 HA LYS 54 -1.029 13.579 -3.671 436 HB2 LYS 54 2HB LYS 54 -1.671 14.474 -5.892 437 HB3 LYS 54 3HB LYS 54 -0.063 15.005 -5.409 438 HG2 LYS 54 2HG LYS 54 0.898 13.157 -6.850 439 HG3 LYS 54 3HG LYS 54 -0.737 12.848 -7.438 440 HD2 LYS 54 2HD LYS 54 -0.853 15.114 -8.386 441 HD3 LYS 54 3HD LYS 54 0.741 15.497 -7.726 442 HE2 LYS 54 2HE LYS 54 0.143 13.395 -9.832 443 HE3 LYS 54 3HE LYS 54 0.894 14.965 -10.116 444 HZ1 LYS 54 3HZ LYS 54 2.556 13.226 -10.019 445 HZ2 LYS 54 1HZ LYS 54 2.044 12.753 -8.479 446 HZ3 LYS 54 2HZ LYS 54 2.756 14.268 -8.708 447 H ARG 55 H ARG 55 0.037 10.836 -5.460 448 HA ARG 55 HA ARG 55 -2.509 9.455 -5.258 449 HB2 ARG 55 2HB ARG 55 -2.846 10.772 -7.323 450 HB3 ARG 55 3HB ARG 55 -1.302 10.236 -7.970 451 HG2 ARG 55 2HG ARG 55 -2.175 7.931 -8.137 452 HG3 ARG 55 3HG ARG 55 -3.721 8.468 -7.480 453 HD2 ARG 55 2HD ARG 55 -3.985 10.000 -9.443 454 HD3 ARG 55 3HD ARG 55 -2.467 9.374 -10.102 455 HE ARG 55 HE ARG 55 -4.135 7.194 -9.614 456 HH11 ARG 55 1HH1 ARG 55 -4.114 9.977 -11.775 457 HH12 ARG 55 2HH1 ARG 55 -5.018 9.166 -13.013 458 HH21 ARG 55 1HH2 ARG 55 -5.304 6.149 -11.252 459 HH22 ARG 55 2HH2 ARG 55 -5.690 7.000 -12.715 460 H VAL 56 H VAL 56 -1.826 7.514 -4.549 461 HA VAL 56 HA VAL 56 0.835 6.433 -5.330 462 HB VAL 56 HB VAL 56 -0.899 5.728 -2.891 463 HG11 VAL 56 1HG1 VAL 56 1.075 4.518 -2.044 464 HG12 VAL 56 2HG1 VAL 56 1.954 4.893 -3.527 465 HG13 VAL 56 3HG1 VAL 56 0.530 3.851 -3.585 466 HG21 VAL 56 3HG2 VAL 56 0.739 6.967 -1.526 467 HG22 VAL 56 1HG2 VAL 56 -0.048 8.023 -2.703 468 HG23 VAL 56 2HG2 VAL 56 1.598 7.454 -2.990 469 H LYS 57 H LYS 57 0.900 4.200 -6.001 470 HA LYS 57 HA LYS 57 -1.713 2.981 -6.686 471 HB2 LYS 57 2HB LYS 57 0.735 3.243 -8.504 472 HB3 LYS 57 3HB LYS 57 -0.697 2.289 -8.887 473 HG2 LYS 57 2HG LYS 57 -2.078 4.339 -8.875 474 HG3 LYS 57 3HG LYS 57 -0.654 5.301 -8.472 475 HD2 LYS 57 2HD LYS 57 0.385 4.723 -10.612 476 HD3 LYS 57 3HD LYS 57 -0.972 3.661 -11.014 477 HE2 LYS 57 2HE LYS 57 -2.478 5.665 -10.949 478 HE3 LYS 57 3HE LYS 57 -1.061 6.680 -10.696 479 HZ1 LYS 57 3HZ LYS 57 -1.685 5.028 -13.075 480 HZ2 LYS 57 1HZ LYS 57 -0.196 5.788 -12.832 481 HZ3 LYS 57 2HZ LYS 57 -1.602 6.709 -12.983 482 H ILE 58 H ILE 58 -1.820 1.152 -5.585 483 HA ILE 58 HA ILE 58 0.551 -0.553 -5.112 484 HB ILE 58 HB ILE 58 -2.255 -0.608 -3.882 485 HG12 ILE 58 2HG1 ILE 58 0.411 0.129 -2.588 486 HG13 ILE 58 3HG1 ILE 58 -0.821 1.280 -3.089 487 HG21 ILE 58 1HG2 ILE 58 -1.392 -2.906 -4.038 488 HG22 ILE 58 2HG2 ILE 58 -1.453 -2.378 -2.356 489 HG23 ILE 58 3HG2 ILE 58 0.088 -2.419 -3.209 490 HD11 ILE 58 3HD1 ILE 58 -0.893 0.950 -0.711 491 HD12 ILE 58 1HD1 ILE 58 -1.098 -0.791 -0.911 492 HD13 ILE 58 2HD1 ILE 58 -2.368 0.318 -1.439 493 H ARG 59 H ARG 59 0.803 -2.051 -6.695 494 HA ARG 59 HA ARG 59 -1.553 -3.349 -7.945 495 HB2 ARG 59 2HB ARG 59 1.303 -3.024 -8.985 496 HB3 ARG 59 3HB ARG 59 0.101 -4.060 -9.750 497 HG2 ARG 59 2HG ARG 59 -1.338 -2.031 -10.105 498 HG3 ARG 59 3HG ARG 59 -0.022 -1.040 -9.474 499 HD2 ARG 59 2HD ARG 59 1.436 -1.753 -11.303 500 HD3 ARG 59 3HD ARG 59 0.194 -2.857 -11.900 501 HE ARG 59 HE ARG 59 -1.059 -0.450 -11.945 502 HH11 ARG 59 1HH1 ARG 59 1.983 -1.593 -13.334 503 HH12 ARG 59 2HH1 ARG 59 1.921 -0.500 -14.684 504 HH21 ARG 59 1HH2 ARG 59 -1.137 0.964 -13.728 505 HH22 ARG 59 2HH2 ARG 59 0.141 0.956 -14.903 506 H PHE 60 H PHE 60 -1.615 -5.592 -7.967 507 HA PHE 60 HA PHE 60 0.376 -7.185 -6.578 508 HB2 PHE 60 2HB PHE 60 -0.794 -6.202 -4.678 509 HB3 PHE 60 3HB PHE 60 -2.371 -6.572 -5.379 510 HD1 PHE 60 HD2 PHE 60 0.771 -8.419 -4.465 511 HD2 PHE 60 HD1 PHE 60 -3.503 -8.378 -4.405 512 HE1 PHE 60 HE2 PHE 60 0.776 -10.531 -3.214 513 HE2 PHE 60 HE1 PHE 60 -3.494 -10.499 -3.156 514 HZ PHE 60 HZ PHE 60 -1.356 -11.568 -2.555 515 H GLU 61 H GLU 61 0.217 -9.333 -7.152 516 HA GLU 61 HA GLU 61 -1.797 -10.097 -9.140 517 HB2 GLU 61 2HB GLU 61 0.729 -11.525 -8.190 518 HB3 GLU 61 3HB GLU 61 -0.374 -12.157 -9.412 519 HG2 GLU 61 2HG GLU 61 0.092 -9.817 -10.590 520 HG3 GLU 61 3HG GLU 61 1.536 -9.850 -9.583 521 H LYS 62 H LYS 62 -3.368 -11.534 -8.795 522 HA LYS 62 HA LYS 62 -3.791 -12.561 -6.047 523 HB2 LYS 62 2HB LYS 62 -5.029 -10.422 -6.597 524 HB3 LYS 62 3HB LYS 62 -5.870 -11.259 -7.883 525 HG2 LYS 62 2HG LYS 62 -6.085 -12.159 -4.995 526 HG3 LYS 62 3HG LYS 62 -7.095 -10.870 -5.639 527 HD2 LYS 62 2HD LYS 62 -7.010 -13.725 -6.686 528 HD3 LYS 62 3HD LYS 62 -8.260 -13.047 -5.648 529 HE2 LYS 62 2HE LYS 62 -8.973 -11.521 -7.373 530 HE3 LYS 62 3HE LYS 62 -7.611 -11.956 -8.406 531 HZ1 LYS 62 3HZ LYS 62 -8.521 -14.144 -8.693 532 HZ2 LYS 62 1HZ LYS 62 -9.728 -13.021 -9.055 533 HZ3 LYS 62 2HZ LYS 62 -9.756 -13.846 -7.584 534 H LYS 63 H LYS 63 -4.192 -13.052 -9.530 535 HA LYS 63 HA LYS 63 -5.730 -15.465 -9.384 536 HB2 LYS 63 2HB LYS 63 -5.639 -14.042 -11.421 537 HB3 LYS 63 3HB LYS 63 -3.939 -14.438 -11.627 538 HG2 LYS 63 2HG LYS 63 -4.537 -16.811 -11.980 539 HG3 LYS 63 3HG LYS 63 -6.245 -16.414 -11.765 540 HD2 LYS 63 2HD LYS 63 -6.109 -14.900 -13.753 541 HD3 LYS 63 3HD LYS 63 -4.427 -15.390 -13.989 542 HE2 LYS 63 2HE LYS 63 -5.895 -16.627 -15.499 543 HE3 LYS 63 3HE LYS 63 -5.186 -17.736 -14.320 544 HZ1 LYS 63 3HZ LYS 63 -7.558 -18.128 -14.664 545 HZ2 LYS 63 1HZ LYS 63 -7.910 -16.562 -14.146 546 HZ3 LYS 63 2HZ LYS 63 -7.239 -17.680 -13.070 547 H GLY 64 H GLY 64 -4.833 -16.995 -8.064 548 HA2 GLY 64 2HA GLY 64 -3.364 -19.027 -8.748 549 HA3 GLY 64 3HA GLY 64 -2.042 -17.900 -8.492 550 H LEU 65 H LEU 65 -3.721 -16.701 -6.214 551 HA LEU 65 HA LEU 65 -2.691 -18.529 -4.145 552 HB2 LEU 65 2HB LEU 65 -3.006 -16.468 -2.640 553 HB3 LEU 65 3HB LEU 65 -1.737 -16.411 -3.847 554 HG LEU 65 HG LEU 65 -3.333 -15.031 -5.311 555 HD11 LEU 65 1HD1 LEU 65 -5.458 -15.533 -4.230 556 HD12 LEU 65 2HD1 LEU 65 -5.144 -13.800 -4.241 557 HD13 LEU 65 3HD1 LEU 65 -4.922 -14.729 -2.753 558 HD21 LEU 65 3HD2 LEU 65 -2.455 -13.808 -2.688 559 HD22 LEU 65 1HD2 LEU 65 -2.834 -12.928 -4.173 560 HD23 LEU 65 2HD2 LEU 65 -1.457 -14.025 -4.128 561 H ASP 66 H ASP 66 -4.015 -18.072 -1.953 562 HA ASP 66 HA ASP 66 -6.556 -19.383 -2.213 563 HB2 ASP 66 2HB ASP 66 -5.350 -18.038 0.250 564 HB3 ASP 66 3HB ASP 66 -6.626 -19.251 0.239 565 H ASP 67 H ASP 67 -8.637 -18.486 -1.711 566 HA ASP 67 HA ASP 67 -9.090 -15.694 -2.138 567 HB2 ASP 67 2HB ASP 67 -10.875 -17.992 -1.290 568 HB3 ASP 67 3HB ASP 67 -11.482 -16.340 -1.202 569 H ASP 68 H ASP 68 -8.381 -17.565 0.643 570 HA ASP 68 HA ASP 68 -8.977 -15.689 2.699 571 HB2 ASP 68 2HB ASP 68 -8.462 -18.060 3.201 572 HB3 ASP 68 3HB ASP 68 -6.837 -17.880 2.558 573 H ALA 69 H ALA 69 -6.010 -16.425 0.832 574 HA ALA 69 HA ALA 69 -4.337 -14.394 1.818 575 HB1 ALA 69 3HB ALA 69 -2.932 -14.851 -0.147 576 HB2 ALA 69 1HB ALA 69 -4.262 -15.736 -0.910 577 HB3 ALA 69 2HB ALA 69 -3.520 -16.352 0.565 578 H ARG 70 H ARG 70 -6.647 -14.427 -0.831 579 HA ARG 70 HA ARG 70 -6.155 -11.939 -2.048 580 HB2 ARG 70 2HB ARG 70 -7.532 -13.600 -3.148 581 HB3 ARG 70 3HB ARG 70 -8.650 -13.680 -1.805 582 HG2 ARG 70 2HG ARG 70 -8.451 -11.036 -3.203 583 HG3 ARG 70 3HG ARG 70 -9.169 -12.352 -4.123 584 HD2 ARG 70 2HD ARG 70 -10.116 -11.400 -1.401 585 HD3 ARG 70 3HD ARG 70 -10.856 -10.975 -2.946 586 HE ARG 70 HE ARG 70 -10.975 -13.646 -3.041 587 HH11 ARG 70 1HH1 ARG 70 -11.914 -11.439 -0.447 588 HH12 ARG 70 2HH1 ARG 70 -13.157 -12.498 0.140 589 HH21 ARG 70 1HH2 ARG 70 -12.637 -14.993 -2.259 590 HH22 ARG 70 2HH2 ARG 70 -13.564 -14.496 -0.877 591 H LYS 71 H LYS 71 -8.230 -12.901 0.654 592 HA LYS 71 HA LYS 71 -9.521 -10.388 1.036 593 HB2 LYS 71 2HB LYS 71 -10.565 -12.542 1.640 594 HB3 LYS 71 3HB LYS 71 -9.319 -12.830 2.850 595 HG2 LYS 71 2HG LYS 71 -11.388 -12.108 3.910 596 HG3 LYS 71 3HG LYS 71 -10.132 -10.889 4.148 597 HD2 LYS 71 2HD LYS 71 -11.108 -9.549 2.293 598 HD3 LYS 71 3HD LYS 71 -12.377 -10.763 2.092 599 HE2 LYS 71 2HE LYS 71 -11.896 -9.092 4.581 600 HE3 LYS 71 3HE LYS 71 -13.166 -8.827 3.388 601 HZ1 LYS 71 3HZ LYS 71 -12.879 -11.232 5.102 602 HZ2 LYS 71 1HZ LYS 71 -14.089 -10.990 3.951 603 HZ3 LYS 71 2HZ LYS 71 -14.010 -9.994 5.313 604 H LYS 72 H LYS 72 -6.734 -11.968 2.570 605 HA LYS 72 HA LYS 72 -6.439 -10.112 4.737 606 HB2 LYS 72 2HB LYS 72 -4.364 -11.986 3.521 607 HB3 LYS 72 3HB LYS 72 -4.240 -11.192 5.084 608 HG2 LYS 72 2HG LYS 72 -6.334 -13.251 4.350 609 HG3 LYS 72 3HG LYS 72 -4.847 -13.591 5.231 610 HD2 LYS 72 2HD LYS 72 -5.560 -12.255 7.110 611 HD3 LYS 72 3HD LYS 72 -6.960 -11.641 6.217 612 HE2 LYS 72 2HE LYS 72 -7.535 -13.415 7.873 613 HE3 LYS 72 3HE LYS 72 -7.990 -13.840 6.225 614 HZ1 LYS 72 3HZ LYS 72 -6.040 -15.237 6.080 615 HZ2 LYS 72 1HZ LYS 72 -6.979 -15.688 7.407 616 HZ3 LYS 72 2HZ LYS 72 -5.560 -14.800 7.635 617 H ALA 73 H ALA 73 -4.951 -10.466 1.523 618 HA ALA 73 HA ALA 73 -3.203 -8.201 1.689 619 HB1 ALA 73 3HB ALA 73 -4.225 -9.701 -0.749 620 HB2 ALA 73 1HB ALA 73 -2.766 -10.082 0.167 621 HB3 ALA 73 2HB ALA 73 -2.873 -8.564 -0.725 622 H LYS 74 H LYS 74 -6.536 -8.696 0.666 623 HA LYS 74 HA LYS 74 -7.058 -6.231 -0.589 624 HB2 LYS 74 2HB LYS 74 -8.584 -8.166 -0.740 625 HB3 LYS 74 3HB LYS 74 -8.963 -8.039 0.963 626 HG2 LYS 74 2HG LYS 74 -9.562 -5.675 -0.807 627 HG3 LYS 74 3HG LYS 74 -10.598 -7.094 -0.939 628 HD2 LYS 74 2HD LYS 74 -11.103 -6.936 1.484 629 HD3 LYS 74 3HD LYS 74 -10.074 -5.507 1.602 630 HE2 LYS 74 2HE LYS 74 -11.582 -4.316 0.032 631 HE3 LYS 74 3HE LYS 74 -12.613 -5.748 -0.050 632 HZ1 LYS 74 3HZ LYS 74 -13.441 -4.076 1.516 633 HZ2 LYS 74 1HZ LYS 74 -12.033 -4.222 2.434 634 HZ3 LYS 74 2HZ LYS 74 -13.083 -5.533 2.290 635 H LYS 75 H LYS 75 -7.386 -7.270 2.789 636 HA LYS 75 HA LYS 75 -8.121 -4.723 3.817 637 HB2 LYS 75 2HB LYS 75 -8.642 -6.752 5.080 638 HB3 LYS 75 3HB LYS 75 -6.931 -7.152 5.225 639 HG2 LYS 75 2HG LYS 75 -6.570 -5.118 6.597 640 HG3 LYS 75 3HG LYS 75 -8.274 -4.705 6.444 641 HD2 LYS 75 2HD LYS 75 -7.204 -7.211 7.783 642 HD3 LYS 75 3HD LYS 75 -7.687 -5.747 8.636 643 HE2 LYS 75 2HE LYS 75 -9.991 -6.035 7.752 644 HE3 LYS 75 3HE LYS 75 -9.488 -7.545 6.987 645 HZ1 LYS 75 3HZ LYS 75 -9.449 -6.968 9.905 646 HZ2 LYS 75 1HZ LYS 75 -8.923 -8.408 9.199 647 HZ3 LYS 75 2HZ LYS 75 -10.553 -7.968 9.109 648 H TRP 76 H TRP 76 -5.006 -6.384 3.318 649 HA TRP 76 HA TRP 76 -3.346 -4.772 4.904 650 HB2 TRP 76 2HB TRP 76 -2.562 -6.920 3.987 651 HB3 TRP 76 3HB TRP 76 -2.646 -6.290 2.342 652 HD1 TRP 76 HD1 TRP 76 -0.535 -5.967 5.566 653 HE1 TRP 76 HE1 TRP 76 1.728 -4.920 4.970 654 HE3 TRP 76 HE3 TRP 76 -1.379 -4.858 0.626 655 HZ2 TRP 76 HZ2 TRP 76 2.998 -3.775 2.757 656 HZ3 TRP 76 HZ3 TRP 76 0.422 -3.771 -0.662 657 HH2 TRP 76 HH2 TRP 76 2.570 -3.241 0.384 658 H ALA 77 H ALA 77 -4.116 -4.492 1.435 659 HA ALA 77 HA ALA 77 -2.610 -2.208 0.840 660 HB1 ALA 77 3HB ALA 77 -3.567 -3.705 -0.851 661 HB2 ALA 77 1HB ALA 77 -4.035 -2.029 -1.150 662 HB3 ALA 77 2HB ALA 77 -5.190 -3.155 -0.430 663 H LEU 78 H LEU 78 -5.790 -2.572 2.279 664 HA LEU 78 HA LEU 78 -6.500 0.215 2.322 665 HB2 LEU 78 2HB LEU 78 -7.585 -2.166 3.882 666 HB3 LEU 78 3HB LEU 78 -8.280 -0.557 3.950 667 HG LEU 78 HG LEU 78 -8.151 -2.273 1.433 668 HD11 LEU 78 1HD1 LEU 78 -10.530 -1.716 3.239 669 HD12 LEU 78 2HD1 LEU 78 -9.669 -3.250 3.104 670 HD13 LEU 78 3HD1 LEU 78 -10.562 -2.622 1.721 671 HD21 LEU 78 3HD2 LEU 78 -9.687 -0.598 0.474 672 HD22 LEU 78 1HD2 LEU 78 -8.132 0.111 0.912 673 HD23 LEU 78 2HD2 LEU 78 -9.542 0.376 1.940 674 H GLU 79 H GLU 79 -4.828 -1.996 4.556 675 HA GLU 79 HA GLU 79 -4.860 -0.336 6.863 676 HB2 GLU 79 2HB GLU 79 -2.810 -2.464 6.081 677 HB3 GLU 79 3HB GLU 79 -2.946 -1.740 7.673 678 HG2 GLU 79 2HG GLU 79 -5.056 -3.458 6.348 679 HG3 GLU 79 3HG GLU 79 -3.922 -3.997 7.574 680 H VAL 80 H VAL 80 -2.457 -0.809 4.295 681 HA VAL 80 HA VAL 80 -0.544 1.116 5.012 682 HB VAL 80 HB VAL 80 -1.369 0.078 2.255 683 HG11 VAL 80 1HG1 VAL 80 0.851 0.758 1.448 684 HG12 VAL 80 2HG1 VAL 80 1.202 1.506 3.008 685 HG13 VAL 80 3HG1 VAL 80 -0.088 2.152 1.991 686 HG21 VAL 80 3HG2 VAL 80 0.860 -0.856 4.101 687 HG22 VAL 80 1HG2 VAL 80 0.542 -1.475 2.476 688 HG23 VAL 80 2HG2 VAL 80 -0.641 -1.721 3.762 689 H ALA 81 H ALA 81 -3.453 1.311 2.993 690 HA ALA 81 HA ALA 81 -3.239 3.942 2.052 691 HB1 ALA 81 3HB ALA 81 -5.632 3.726 1.529 692 HB2 ALA 81 1HB ALA 81 -5.724 2.284 2.555 693 HB3 ALA 81 2HB ALA 81 -4.744 2.267 1.092 694 H ASN 82 H ASN 82 -4.924 2.657 4.904 695 HA ASN 82 HA ASN 82 -6.138 5.172 5.618 696 HB2 ASN 82 2HB ASN 82 -6.203 2.366 6.761 697 HB3 ASN 82 3HB ASN 82 -6.706 3.689 7.800 698 HD21 ASN 82 1HD2 ASN 82 -7.531 1.771 5.021 699 HD22 ASN 82 2HD2 ASN 82 -9.129 2.372 4.814 700 H LYS 83 H LYS 83 -3.275 3.358 6.595 701 HA LYS 83 HA LYS 83 -2.639 4.752 8.970 702 HB2 LYS 83 2HB LYS 83 -1.539 2.602 8.134 703 HB3 LYS 83 3HB LYS 83 -0.637 3.557 6.977 704 HG2 LYS 83 2HG LYS 83 -0.407 4.006 9.978 705 HG3 LYS 83 3HG LYS 83 0.583 2.830 9.121 706 HD2 LYS 83 2HD LYS 83 1.421 4.726 7.659 707 HD3 LYS 83 3HD LYS 83 0.558 5.845 8.716 708 HE2 LYS 83 2HE LYS 83 2.769 3.955 9.588 709 HE3 LYS 83 3HE LYS 83 2.963 5.680 9.278 710 HZ1 LYS 83 3HZ LYS 83 1.371 6.102 11.080 711 HZ2 LYS 83 1HZ LYS 83 2.752 5.287 11.613 712 HZ3 LYS 83 2HZ LYS 83 1.297 4.447 11.406 713 H ILE 84 H ILE 84 -1.683 5.269 5.592 714 HA ILE 84 HA ILE 84 -0.099 7.600 6.113 715 HB ILE 84 HB ILE 84 -1.080 6.462 3.451 716 HG12 ILE 84 2HG1 ILE 84 1.675 6.114 4.732 717 HG13 ILE 84 3HG1 ILE 84 0.403 4.915 4.855 718 HG21 ILE 84 1HG2 ILE 84 0.742 7.777 2.426 719 HG22 ILE 84 2HG2 ILE 84 1.124 8.473 4.000 720 HG23 ILE 84 3HG2 ILE 84 -0.430 8.819 3.238 721 HD11 ILE 84 3HD1 ILE 84 0.416 4.645 2.424 722 HD12 ILE 84 1HD1 ILE 84 1.990 4.313 3.140 723 HD13 ILE 84 2HD1 ILE 84 1.712 5.839 2.301 724 H ALA 85 H ALA 85 -3.410 7.020 4.871 725 HA ALA 85 HA ALA 85 -4.068 9.716 4.254 726 HB1 ALA 85 3HB ALA 85 -5.946 7.470 5.073 727 HB2 ALA 85 1HB ALA 85 -5.401 7.814 3.431 728 HB3 ALA 85 2HB ALA 85 -6.415 8.980 4.281 729 H ASN 86 H ASN 86 -4.084 7.892 7.256 730 HA ASN 86 HA ASN 86 -5.474 9.861 8.875 731 HB2 ASN 86 2HB ASN 86 -5.258 7.332 9.387 732 HB3 ASN 86 3HB ASN 86 -3.591 7.662 9.870 733 HD21 ASN 86 1HD2 ASN 86 -3.972 7.011 12.011 734 HD22 ASN 86 2HD2 ASN 86 -4.936 7.925 13.117 735 H GLU 87 H GLU 87 -2.179 9.079 8.034 736 HA GLU 87 HA GLU 87 -0.850 10.573 10.060 737 HB2 GLU 87 2HB GLU 87 -0.055 8.525 8.569 738 HB3 GLU 87 3HB GLU 87 0.442 9.766 7.430 739 HG2 GLU 87 2HG GLU 87 2.329 9.108 8.767 740 HG3 GLU 87 3HG GLU 87 1.879 10.755 9.197 741 H LEU 88 H LEU 88 -1.760 11.174 6.698 742 HA LEU 88 HA LEU 88 -0.480 13.810 6.611 743 HB2 LEU 88 2HB LEU 88 -2.119 12.410 4.465 744 HB3 LEU 88 3HB LEU 88 -1.111 13.831 4.256 745 HG LEU 88 HG LEU 88 -0.214 10.975 4.702 746 HD11 LEU 88 1HD1 LEU 88 -0.860 11.575 2.419 747 HD12 LEU 88 2HD1 LEU 88 0.865 11.261 2.531 748 HD13 LEU 88 3HD1 LEU 88 0.282 12.921 2.430 749 HD21 LEU 88 3HD2 LEU 88 2.121 11.801 4.665 750 HD22 LEU 88 1HD2 LEU 88 1.235 12.341 6.092 751 HD23 LEU 88 2HD2 LEU 88 1.527 13.461 4.758 752 H GLY 89 H GLY 89 -3.627 12.451 7.158 753 HA2 GLY 89 2HA GLY 89 -5.684 13.437 7.566 754 HA3 GLY 89 3HA GLY 89 -4.947 15.023 7.365 755 H ALA 90 H ALA 90 -4.875 12.348 5.100 756 HA ALA 90 HA ALA 90 -6.090 13.938 2.957 757 HB1 ALA 90 3HB ALA 90 -3.974 12.769 2.530 758 HB2 ALA 90 1HB ALA 90 -5.258 12.125 1.504 759 HB3 ALA 90 2HB ALA 90 -4.726 11.223 2.926 760 H LYS 91 H LYS 91 -7.192 11.844 1.422 761 HA LYS 91 HA LYS 91 -9.756 11.480 2.750 762 HB2 LYS 91 2HB LYS 91 -8.909 10.892 -0.113 763 HB3 LYS 91 3HB LYS 91 -10.557 10.778 0.496 764 HG2 LYS 91 2HG LYS 91 -10.628 13.191 0.876 765 HG3 LYS 91 3HG LYS 91 -8.927 13.338 0.423 766 HD2 LYS 91 2HD LYS 91 -10.397 14.042 -1.418 767 HD3 LYS 91 3HD LYS 91 -9.444 12.629 -1.866 768 HE2 LYS 91 2HE LYS 91 -11.733 12.425 -2.685 769 HE3 LYS 91 3HE LYS 91 -11.423 11.187 -1.466 770 HZ1 LYS 91 3HZ LYS 91 -12.601 12.522 0.153 771 HZ2 LYS 91 1HZ LYS 91 -13.590 12.270 -1.197 772 HZ3 LYS 91 2HZ LYS 91 -12.823 13.761 -0.973 773 H GLN 92 H GLN 92 -8.635 9.091 0.411 774 HA GLN 92 HA GLN 92 -8.298 6.895 2.251 775 HB2 GLN 92 2HB GLN 92 -10.943 7.268 0.772 776 HB3 GLN 92 3HB GLN 92 -10.358 5.651 1.115 777 HG2 GLN 92 2HG GLN 92 -10.997 7.759 3.192 778 HG3 GLN 92 3HG GLN 92 -12.028 6.402 2.752 779 HE21 GLN 92 1HE2 GLN 92 -9.193 7.372 4.505 780 HE22 GLN 92 2HE2 GLN 92 -8.925 5.867 5.303 781 H SER 93 H SER 93 -8.925 4.806 0.486 782 HA SER 93 HA SER 93 -7.377 5.348 -1.982 783 HB2 SER 93 2HB SER 93 -6.679 2.945 -1.825 784 HB3 SER 93 3HB SER 93 -6.125 3.899 -0.451 785 HG SER 93 HG SER 93 -8.360 2.132 -0.507 786 H THR 94 H THR 94 -8.279 4.659 -3.881 787 HA THR 94 HA THR 94 -10.924 3.409 -3.837 788 HB THR 94 HB THR 94 -10.721 5.359 -5.285 789 HG1 THR 94 HG1 THR 94 -11.911 3.344 -5.968 790 HG21 THR 94 3HG2 THR 94 -8.321 5.324 -5.828 791 HG22 THR 94 1HG2 THR 94 -9.292 5.396 -7.301 792 HG23 THR 94 2HG2 THR 94 -8.549 3.873 -6.807 793 H THR 95 H THR 95 -11.247 1.330 -4.342 794 HA THR 95 HA THR 95 -8.885 -0.387 -4.821 795 HB THR 95 HB THR 95 -10.376 -2.213 -3.858 796 HG1 THR 95 HG1 THR 95 -12.327 -0.665 -4.294 797 HG21 THR 95 3HG2 THR 95 -10.226 -1.462 -1.507 798 HG22 THR 95 1HG2 THR 95 -9.939 0.193 -2.048 799 HG23 THR 95 2HG2 THR 95 -8.752 -1.067 -2.392 800 H THR 96 H THR 96 -8.747 -1.512 -6.673 801 HA THR 96 HA THR 96 -11.164 -2.049 -8.305 802 HB THR 96 HB THR 96 -8.276 -1.827 -9.290 803 HG1 THR 96 HG1 THR 96 -8.888 0.221 -8.827 804 HG21 THR 96 3HG2 THR 96 -9.711 -3.290 -10.720 805 HG22 THR 96 1HG2 THR 96 -9.243 -1.802 -11.549 806 HG23 THR 96 2HG2 THR 96 -10.869 -1.967 -10.889 807 H THR 97 H THR 97 -11.725 -4.123 -7.973 808 HA THR 97 HA THR 97 -9.644 -6.160 -7.499 809 HB THR 97 HB THR 97 -11.453 -5.950 -5.775 810 HG1 THR 97 HG1 THR 97 -10.778 -7.913 -5.517 811 HG21 THR 97 3HG2 THR 97 -13.685 -6.891 -6.212 812 HG22 THR 97 1HG2 THR 97 -13.283 -7.092 -7.920 813 HG23 THR 97 2HG2 THR 97 -13.399 -5.473 -7.223 814 H ASP 98 H ASP 98 -9.350 -7.786 -8.902 815 HA ASP 98 HA ASP 98 -11.151 -8.220 -11.171 816 HB2 ASP 98 2HB ASP 98 -9.576 -6.496 -11.995 817 HB3 ASP 98 3HB ASP 98 -8.211 -7.462 -11.467 818 H GLY 99 H GLY 99 -10.637 -10.224 -12.311 819 HA2 GLY 99 2HA GLY 99 -10.181 -12.413 -10.648 820 HA3 GLY 99 3HA GLY 99 -10.158 -12.455 -12.402 821 H ASP 100 H ASP 100 -7.877 -10.504 -12.427 822 HA ASP 100 HA ASP 100 -5.710 -12.414 -11.814 823 HB2 ASP 100 2HB ASP 100 -6.008 -11.879 -14.242 824 HB3 ASP 100 3HB ASP 100 -5.717 -10.179 -13.888 825 H THR 101 H THR 101 -6.079 -8.839 -12.185 826 HA THR 101 HA THR 101 -3.885 -8.479 -10.233 827 HB THR 101 HB THR 101 -4.949 -6.520 -12.319 828 HG1 THR 101 HG1 THR 101 -3.373 -8.623 -12.612 829 HG21 THR 101 3HG2 THR 101 -3.924 -5.301 -10.420 830 HG22 THR 101 1HG2 THR 101 -2.884 -5.211 -11.845 831 HG23 THR 101 2HG2 THR 101 -2.485 -6.318 -10.531 832 H PHE 102 H PHE 102 -4.458 -7.914 -8.253 833 HA PHE 102 HA PHE 102 -6.828 -6.264 -7.715 834 HB2 PHE 102 2HB PHE 102 -6.341 -8.254 -6.268 835 HB3 PHE 102 3HB PHE 102 -4.815 -7.515 -5.785 836 HD1 PHE 102 HD2 PHE 102 -8.483 -6.723 -5.914 837 HD2 PHE 102 HD1 PHE 102 -4.797 -6.285 -3.781 838 HE1 PHE 102 HE2 PHE 102 -9.656 -5.525 -4.118 839 HE2 PHE 102 HE1 PHE 102 -5.982 -5.091 -1.996 840 HZ PHE 102 HZ PHE 102 -8.409 -4.707 -2.163 841 H GLU 103 H GLU 103 -6.528 -4.092 -7.956 842 HA GLU 103 HA GLU 103 -3.902 -2.878 -7.308 843 HB2 GLU 103 2HB GLU 103 -4.229 -3.049 -9.762 844 HB3 GLU 103 3HB GLU 103 -5.733 -2.145 -9.635 845 HG2 GLU 103 2HG GLU 103 -4.455 -0.189 -8.770 846 HG3 GLU 103 3HG GLU 103 -2.955 -1.090 -8.980 847 H VAL 104 H VAL 104 -4.105 -1.526 -5.658 848 HA VAL 104 HA VAL 104 -6.615 -0.007 -5.164 849 HB VAL 104 HB VAL 104 -4.472 -0.982 -3.207 850 HG11 VAL 104 1HG1 VAL 104 -7.012 0.586 -2.595 851 HG12 VAL 104 2HG1 VAL 104 -5.359 1.185 -2.439 852 HG13 VAL 104 3HG1 VAL 104 -5.926 -0.120 -1.395 853 HG21 VAL 104 3HG2 VAL 104 -7.360 -1.844 -3.562 854 HG22 VAL 104 1HG2 VAL 104 -6.272 -2.412 -2.292 855 HG23 VAL 104 2HG2 VAL 104 -5.926 -2.784 -3.984 856 H GLU 105 H GLU 105 -6.308 2.049 -5.864 857 HA GLU 105 HA GLU 105 -3.671 3.336 -5.663 858 HB2 GLU 105 2HB GLU 105 -6.230 4.256 -7.039 859 HB3 GLU 105 3HB GLU 105 -4.695 5.127 -7.062 860 HG2 GLU 105 2HG GLU 105 -3.653 3.132 -8.207 861 HG3 GLU 105 3HG GLU 105 -5.254 2.405 -8.265 862 H VAL 106 H VAL 106 -3.219 4.670 -4.015 863 HA VAL 106 HA VAL 106 -5.344 5.409 -2.115 864 HB VAL 106 HB VAL 106 -2.328 5.650 -1.696 865 HG11 VAL 106 1HG1 VAL 106 -4.615 5.519 0.300 866 HG12 VAL 106 2HG1 VAL 106 -3.705 6.966 -0.139 867 HG13 VAL 106 3HG1 VAL 106 -2.899 5.641 0.703 868 HG21 VAL 106 3HG2 VAL 106 -4.077 3.269 -0.979 869 HG22 VAL 106 1HG2 VAL 106 -2.384 3.477 -0.519 870 HG23 VAL 106 2HG2 VAL 106 -2.823 3.300 -2.219 871 H ILE 107 H ILE 107 -6.210 7.386 -2.516 872 HA ILE 107 HA ILE 107 -4.686 9.388 -4.016 873 HB ILE 107 HB ILE 107 -7.640 9.402 -3.273 874 HG12 ILE 107 2HG1 ILE 107 -7.154 7.460 -4.707 875 HG13 ILE 107 3HG1 ILE 107 -8.068 8.657 -5.612 876 HG21 ILE 107 1HG2 ILE 107 -6.810 11.653 -3.767 877 HG22 ILE 107 2HG2 ILE 107 -7.859 11.099 -5.073 878 HG23 ILE 107 3HG2 ILE 107 -6.108 11.087 -5.287 879 HD11 ILE 107 3HD1 ILE 107 -5.999 9.374 -6.730 880 HD12 ILE 107 1HD1 ILE 107 -6.339 7.662 -6.974 881 HD13 ILE 107 2HD1 ILE 107 -5.098 8.154 -5.825 882 H LEU 108 H LEU 108 -3.411 10.517 -2.703 883 HA LEU 108 HA LEU 108 -4.477 11.643 -0.177 884 HB2 LEU 108 2HB LEU 108 -1.586 11.388 -1.079 885 HB3 LEU 108 3HB LEU 108 -2.158 11.797 0.532 886 HG LEU 108 HG LEU 108 -2.631 9.084 -0.770 887 HD11 LEU 108 1HD1 LEU 108 -0.235 9.438 -0.528 888 HD12 LEU 108 2HD1 LEU 108 -0.809 8.224 0.613 889 HD13 LEU 108 3HD1 LEU 108 -0.449 9.861 1.174 890 HD21 LEU 108 3HD2 LEU 108 -2.893 9.962 2.121 891 HD22 LEU 108 1HD2 LEU 108 -3.124 8.322 1.509 892 HD23 LEU 108 2HD2 LEU 108 -4.222 9.607 1.013 893 H GLU 109 H GLU 109 -5.430 13.557 -0.888 894 HA GLU 109 HA GLU 109 -3.767 15.399 -2.505 895 HB2 GLU 109 2HB GLU 109 -5.880 16.704 -2.872 896 HB3 GLU 109 3HB GLU 109 -5.924 15.081 -3.543 897 HG2 GLU 109 2HG GLU 109 -7.404 14.306 -1.830 898 HG3 GLU 109 3HG GLU 109 -7.163 15.767 -0.871 899 H LEU 110 H LEU 110 -2.465 16.498 -1.191 900 HA LEU 110 HA LEU 110 -3.474 17.555 1.388 901 HB2 LEU 110 2HB LEU 110 -0.584 17.348 0.452 902 HB3 LEU 110 3HB LEU 110 -1.132 17.802 2.054 903 HG LEU 110 HG LEU 110 -0.440 15.605 2.412 904 HD11 LEU 110 1HD1 LEU 110 -2.720 15.841 3.230 905 HD12 LEU 110 2HD1 LEU 110 -2.384 14.181 2.745 906 HD13 LEU 110 3HD1 LEU 110 -3.355 15.221 1.700 907 HD21 LEU 110 3HD2 LEU 110 0.129 15.013 0.111 908 HD22 LEU 110 1HD2 LEU 110 -1.575 14.753 -0.277 909 HD23 LEU 110 2HD2 LEU 110 -0.756 13.697 0.879 910 H GLU 111 H GLU 111 -3.865 19.679 1.576 911 HA GLU 111 HA GLU 111 -3.216 21.596 -0.454 912 HB2 GLU 111 2HB GLU 111 -4.184 23.272 1.134 913 HB3 GLU 111 3HB GLU 111 -5.243 21.910 0.804 914 HG2 GLU 111 2HG GLU 111 -5.506 22.317 3.098 915 HG3 GLU 111 3HG GLU 111 -4.449 20.914 3.012 916 H HIS 112 H HIS 112 -1.437 20.254 2.087 917 HA HIS 112 HA HIS 112 0.536 22.258 2.455 918 HB2 HIS 112 2HB HIS 112 0.713 19.220 2.673 919 HB3 HIS 112 3HB HIS 112 2.010 20.312 3.139 920 HD1 HIS 112 HD1 HIS 112 1.304 22.093 5.080 921 HD2 HIS 112 HD2 HIS 112 -1.012 18.663 4.714 922 HE1 HIS 112 HE1 HIS 112 0.075 21.873 7.258 923 HE2 HIS 112 HE2 HIS 112 -1.333 19.807 7.005 924 H HIS 113 H HIS 113 1.514 23.157 0.741 925 HA HIS 113 HA HIS 113 3.174 21.499 -0.988 926 HB2 HIS 113 2HB HIS 113 2.471 22.693 -3.063 927 HB3 HIS 113 3HB HIS 113 1.172 21.734 -2.366 928 HD1 HIS 113 HD1 HIS 113 -0.748 23.100 -1.156 929 HD2 HIS 113 HD2 HIS 113 1.844 25.376 -3.461 930 HE1 HIS 113 HE1 HIS 113 -1.913 25.288 -1.507 931 HE2 HIS 113 HE2 HIS 113 -0.462 26.508 -3.150 932 H HIS 114 H HIS 114 5.125 22.266 -0.588 933 HA HIS 114 HA HIS 114 5.611 25.090 0.021 934 HB2 HIS 114 2HB HIS 114 6.710 23.220 1.327 935 HB3 HIS 114 3HB HIS 114 7.596 22.763 -0.122 936 HD1 HIS 114 HD1 HIS 114 9.729 23.180 1.409 937 HD2 HIS 114 HD2 HIS 114 7.515 26.584 0.524 938 HE1 HIS 114 HE1 HIS 114 11.204 25.123 2.002 939 HE2 HIS 114 HE2 HIS 114 9.953 27.135 1.158 940 H HIS 115 H HIS 115 4.624 25.239 -2.312 941 HA HIS 115 HA HIS 115 6.633 26.118 -4.116 942 HB2 HIS 115 2HB HIS 115 6.709 23.598 -4.483 943 HB3 HIS 115 3HB HIS 115 5.046 23.680 -5.045 944 HD1 HIS 115 HD1 HIS 115 8.493 23.920 -6.206 945 HD2 HIS 115 HD2 HIS 115 4.792 25.284 -7.527 946 HE1 HIS 115 HE1 HIS 115 8.813 24.529 -8.619 947 HE2 HIS 115 HE2 HIS 115 6.561 25.311 -9.404 948 H HIS 116 H HIS 116 5.561 28.009 -4.268 949 HA HIS 116 HA HIS 116 2.717 28.250 -4.691 950 HB2 HIS 116 2HB HIS 116 4.086 30.012 -3.534 951 HB3 HIS 116 3HB HIS 116 4.915 30.348 -5.044 952 HD1 HIS 116 HD1 HIS 116 1.690 30.948 -3.229 953 HD2 HIS 116 HD2 HIS 116 3.436 31.962 -6.865 954 HE1 HIS 116 HE1 HIS 116 0.274 32.796 -4.174 955 HE2 HIS 116 HE2 HIS 116 1.276 33.306 -6.420 956 H HIS 117 H HIS 117 1.662 28.879 -6.651 957 HA HIS 117 HA HIS 117 3.096 28.897 -9.178 958 HB2 HIS 117 2HB HIS 117 1.968 26.865 -10.089 959 HB3 HIS 117 3HB HIS 117 3.020 26.476 -8.733 960 HD1 HIS 117 HD1 HIS 117 -0.570 26.570 -9.749 961 HD2 HIS 117 HD2 HIS 117 1.702 25.439 -6.462 962 HE1 HIS 117 HE1 HIS 117 -2.130 25.294 -8.260 963 HE2 HIS 117 HE2 HIS 117 -0.714 24.520 -6.334 Start of MODEL 20 1 H1 MET 1 1H MET 1 9.819 -15.368 -13.609 2 H2 MET 1 2H MET 1 11.433 -15.618 -13.177 3 H3 MET 1 3H MET 1 10.301 -15.175 -12.004 4 HA MET 1 HA MET 1 10.320 -17.706 -13.534 5 HB2 MET 1 2HB MET 1 10.912 -17.184 -10.586 6 HB3 MET 1 3HB MET 1 10.905 -18.763 -11.367 7 HG2 MET 1 2HG MET 1 12.842 -16.495 -11.884 8 HG3 MET 1 3HG MET 1 13.185 -18.025 -11.071 9 HE1 MET 1 3HE MET 1 15.201 -18.368 -14.431 10 HE2 MET 1 1HE MET 1 15.295 -18.426 -12.672 11 HE3 MET 1 2HE MET 1 14.974 -16.895 -13.491 12 H ALA 2 H ALA 2 8.996 -19.193 -11.545 13 HA ALA 2 HA ALA 2 6.310 -18.798 -12.251 14 HB1 ALA 2 3HB ALA 2 7.419 -20.426 -9.933 15 HB2 ALA 2 1HB ALA 2 7.243 -20.987 -11.597 16 HB3 ALA 2 2HB ALA 2 5.810 -20.600 -10.641 17 H GLY 3 H GLY 3 4.560 -17.875 -11.244 18 HA2 GLY 3 2HA GLY 3 5.000 -15.912 -9.131 19 HA3 GLY 3 3HA GLY 3 3.541 -16.148 -10.080 20 H LYS 4 H LYS 4 5.384 -18.429 -8.063 21 HA LYS 4 HA LYS 4 3.047 -19.518 -6.804 22 HB2 LYS 4 2HB LYS 4 5.031 -20.908 -7.220 23 HB3 LYS 4 3HB LYS 4 6.022 -19.858 -6.218 24 HG2 LYS 4 2HG LYS 4 5.504 -21.909 -5.027 25 HG3 LYS 4 3HG LYS 4 4.738 -20.533 -4.223 26 HD2 LYS 4 2HD LYS 4 2.571 -21.132 -5.279 27 HD3 LYS 4 3HD LYS 4 3.341 -22.492 -6.102 28 HE2 LYS 4 2HE LYS 4 3.865 -23.492 -3.888 29 HE3 LYS 4 3HE LYS 4 3.027 -22.147 -3.105 30 HZ1 LYS 4 3HZ LYS 4 1.773 -24.046 -5.008 31 HZ2 LYS 4 1HZ LYS 4 0.993 -22.812 -4.162 32 HZ3 LYS 4 2HZ LYS 4 1.641 -24.126 -3.326 33 H GLU 5 H GLU 5 5.742 -17.497 -5.675 34 HA GLU 5 HA GLU 5 4.430 -16.692 -3.235 35 HB2 GLU 5 2HB GLU 5 6.859 -15.540 -4.670 36 HB3 GLU 5 3HB GLU 5 6.348 -15.121 -3.040 37 HG2 GLU 5 2HG GLU 5 7.293 -17.854 -3.952 38 HG3 GLU 5 3HG GLU 5 8.247 -16.681 -3.045 39 H LEU 6 H LEU 6 3.878 -14.393 -2.804 40 HA LEU 6 HA LEU 6 2.179 -13.396 -4.972 41 HB2 LEU 6 2HB LEU 6 2.295 -12.529 -2.055 42 HB3 LEU 6 3HB LEU 6 1.047 -12.110 -3.219 43 HG LEU 6 HG LEU 6 1.576 -14.854 -2.013 44 HD11 LEU 6 1HD1 LEU 6 -0.682 -14.639 -1.079 45 HD12 LEU 6 2HD1 LEU 6 -0.824 -13.020 -1.772 46 HD13 LEU 6 3HD1 LEU 6 0.381 -13.346 -0.522 47 HD21 LEU 6 3HD2 LEU 6 0.974 -15.203 -4.342 48 HD22 LEU 6 1HD2 LEU 6 -0.430 -14.141 -4.179 49 HD23 LEU 6 2HD2 LEU 6 -0.369 -15.674 -3.301 50 H ARG 7 H ARG 7 3.312 -12.121 -6.366 51 HA ARG 7 HA ARG 7 5.412 -10.337 -5.496 52 HB2 ARG 7 2HB ARG 7 4.186 -10.927 -8.207 53 HB3 ARG 7 3HB ARG 7 5.211 -9.514 -8.000 54 HG2 ARG 7 2HG ARG 7 6.563 -11.272 -8.887 55 HG3 ARG 7 3HG ARG 7 7.048 -11.009 -7.212 56 HD2 ARG 7 2HD ARG 7 5.643 -12.992 -6.561 57 HD3 ARG 7 3HD ARG 7 5.337 -13.278 -8.283 58 HE ARG 7 HE ARG 7 8.098 -13.086 -7.913 59 HH11 ARG 7 1HH1 ARG 7 5.504 -15.295 -7.066 60 HH12 ARG 7 2HH1 ARG 7 6.562 -16.671 -7.014 61 HH21 ARG 7 1HH2 ARG 7 9.450 -14.876 -7.795 62 HH22 ARG 7 2HH2 ARG 7 8.792 -16.439 -7.422 63 H VAL 8 H VAL 8 5.125 -8.390 -4.719 64 HA VAL 8 HA VAL 8 2.693 -6.831 -5.348 65 HB VAL 8 HB VAL 8 2.945 -5.627 -3.302 66 HG11 VAL 8 1HG1 VAL 8 2.999 -7.354 -1.515 67 HG12 VAL 8 2HG1 VAL 8 3.646 -8.516 -2.675 68 HG13 VAL 8 3HG1 VAL 8 2.030 -7.853 -2.900 69 HG21 VAL 8 3HG2 VAL 8 4.868 -5.776 -1.772 70 HG22 VAL 8 1HG2 VAL 8 5.360 -5.186 -3.357 71 HG23 VAL 8 2HG2 VAL 8 5.693 -6.856 -2.897 72 H GLU 9 H GLU 9 2.976 -5.029 -6.599 73 HA GLU 9 HA GLU 9 5.649 -3.733 -6.696 74 HB2 GLU 9 2HB GLU 9 3.417 -3.732 -8.778 75 HB3 GLU 9 3HB GLU 9 4.804 -2.643 -8.834 76 HG2 GLU 9 2HG GLU 9 6.325 -4.600 -8.990 77 HG3 GLU 9 3HG GLU 9 4.928 -5.676 -8.965 78 H ILE 10 H ILE 10 5.393 -2.489 -4.887 79 HA ILE 10 HA ILE 10 3.085 -0.695 -4.669 80 HB ILE 10 HB ILE 10 5.546 -0.922 -2.857 81 HG12 ILE 10 2HG1 ILE 10 4.262 -3.041 -2.817 82 HG13 ILE 10 3HG1 ILE 10 4.166 -2.203 -1.276 83 HG21 ILE 10 1HG2 ILE 10 4.230 0.366 -1.225 84 HG22 ILE 10 2HG2 ILE 10 2.888 0.473 -2.361 85 HG23 ILE 10 3HG2 ILE 10 4.417 1.274 -2.724 86 HD11 ILE 10 3HD1 ILE 10 1.898 -1.440 -1.856 87 HD12 ILE 10 1HD1 ILE 10 2.053 -3.197 -1.853 88 HD13 ILE 10 2HD1 ILE 10 2.012 -2.323 -3.382 89 H LYS 11 H LYS 11 3.235 1.095 -5.914 90 HA LYS 11 HA LYS 11 5.864 2.294 -6.545 91 HB2 LYS 11 2HB LYS 11 3.235 2.339 -8.092 92 HB3 LYS 11 3HB LYS 11 4.595 3.386 -8.490 93 HG2 LYS 11 2HG LYS 11 6.002 1.394 -8.912 94 HG3 LYS 11 3HG LYS 11 4.628 0.348 -8.541 95 HD2 LYS 11 2HD LYS 11 3.417 1.111 -10.486 96 HD3 LYS 11 3HD LYS 11 4.568 2.421 -10.769 97 HE2 LYS 11 2HE LYS 11 4.864 0.528 -12.355 98 HE3 LYS 11 3HE LYS 11 6.306 0.814 -11.379 99 HZ1 LYS 11 3HZ LYS 11 5.868 -1.529 -11.526 100 HZ2 LYS 11 1HZ LYS 11 4.287 -1.327 -10.962 101 HZ3 LYS 11 2HZ LYS 11 5.593 -1.027 -9.937 102 H ILE 12 H ILE 12 6.274 3.946 -5.231 103 HA ILE 12 HA ILE 12 4.152 5.858 -4.504 104 HB ILE 12 HB ILE 12 7.072 5.855 -3.587 105 HG12 ILE 12 2HG1 ILE 12 6.077 3.758 -2.806 106 HG13 ILE 12 3HG1 ILE 12 6.210 4.846 -1.431 107 HG21 ILE 12 1HG2 ILE 12 6.251 7.330 -1.761 108 HG22 ILE 12 2HG2 ILE 12 4.633 7.297 -2.465 109 HG23 ILE 12 3HG2 ILE 12 5.965 8.042 -3.352 110 HD11 ILE 12 3HD1 ILE 12 3.708 4.188 -2.977 111 HD12 ILE 12 1HD1 ILE 12 3.804 5.364 -1.662 112 HD13 ILE 12 2HD1 ILE 12 4.130 3.659 -1.350 113 H ASP 13 H ASP 13 3.826 7.452 -5.971 114 HA ASP 13 HA ASP 13 5.864 7.957 -8.010 115 HB2 ASP 13 2HB ASP 13 3.416 7.532 -8.581 116 HB3 ASP 13 3HB ASP 13 3.036 9.093 -7.866 117 H CYS 14 H CYS 14 7.386 9.228 -7.100 118 HA CYS 14 HA CYS 14 6.697 11.719 -5.693 119 HB2 CYS 14 2HB CYS 14 9.072 11.770 -5.085 120 HB3 CYS 14 3HB CYS 14 8.427 10.165 -4.747 121 HG CYS 14 HG CYS 14 9.567 8.964 -6.969 122 H GLY 15 H GLY 15 5.934 11.627 -8.383 123 HA2 GLY 15 2HA GLY 15 6.001 12.890 -10.307 124 HA3 GLY 15 3HA GLY 15 7.322 13.825 -9.619 125 H ASN 16 H ASN 16 7.788 10.434 -9.617 126 HA ASN 16 HA ASN 16 10.077 10.761 -11.396 127 HB2 ASN 16 2HB ASN 16 10.768 8.511 -10.553 128 HB3 ASN 16 3HB ASN 16 10.539 9.684 -9.271 129 HD21 ASN 16 1HD2 ASN 16 10.429 6.667 -9.400 130 HD22 ASN 16 2HD2 ASN 16 8.950 6.276 -8.602 131 H ASP 17 H ASP 17 9.073 10.915 -13.396 132 HA ASP 17 HA ASP 17 7.468 8.795 -14.528 133 HB2 ASP 17 2HB ASP 17 7.296 11.170 -15.275 134 HB3 ASP 17 3HB ASP 17 8.947 11.100 -15.880 135 H ASP 18 H ASP 18 10.830 9.775 -14.557 136 HA ASP 18 HA ASP 18 11.660 7.506 -16.256 137 HB2 ASP 18 2HB ASP 18 12.271 9.911 -16.896 138 HB3 ASP 18 3HB ASP 18 13.281 9.977 -15.459 139 H LYS 19 H LYS 19 10.914 7.028 -13.512 140 HA LYS 19 HA LYS 19 13.252 5.505 -12.762 141 HB2 LYS 19 2HB LYS 19 13.691 7.613 -11.513 142 HB3 LYS 19 3HB LYS 19 12.116 7.494 -10.744 143 HG2 LYS 19 2HG LYS 19 13.851 6.765 -9.196 144 HG3 LYS 19 3HG LYS 19 12.824 5.393 -9.625 145 HD2 LYS 19 2HD LYS 19 14.588 4.743 -11.337 146 HD3 LYS 19 3HD LYS 19 15.619 6.005 -10.658 147 HE2 LYS 19 2HE LYS 19 14.512 3.637 -9.105 148 HE3 LYS 19 3HE LYS 19 16.138 3.733 -9.779 149 HZ1 LYS 19 3HZ LYS 19 15.077 5.649 -7.772 150 HZ2 LYS 19 1HZ LYS 19 16.671 5.512 -8.306 151 HZ3 LYS 19 2HZ LYS 19 15.982 4.281 -7.373 152 H GLU 20 H GLU 20 12.539 3.546 -12.288 153 HA GLU 20 HA GLU 20 9.787 3.059 -11.509 154 HB2 GLU 20 2HB GLU 20 10.264 0.684 -11.724 155 HB3 GLU 20 3HB GLU 20 10.869 1.528 -13.133 156 HG2 GLU 20 2HG GLU 20 12.569 0.494 -10.843 157 HG3 GLU 20 3HG GLU 20 12.346 -0.306 -12.394 158 H THR 21 H THR 21 9.161 3.152 -9.491 159 HA THR 21 HA THR 21 10.962 2.468 -7.240 160 HB THR 21 HB THR 21 8.536 4.337 -7.264 161 HG1 THR 21 HG1 THR 21 11.299 4.721 -7.443 162 HG21 THR 21 3HG2 THR 21 9.126 4.865 -4.928 163 HG22 THR 21 1HG2 THR 21 10.425 3.668 -4.968 164 HG23 THR 21 2HG2 THR 21 8.740 3.151 -5.091 165 H THR 22 H THR 22 10.508 0.381 -6.834 166 HA THR 22 HA THR 22 7.722 -0.400 -6.255 167 HB THR 22 HB THR 22 8.384 -2.753 -7.115 168 HG1 THR 22 HG1 THR 22 10.629 -2.343 -7.312 169 HG21 THR 22 3HG2 THR 22 8.162 -0.547 -9.195 170 HG22 THR 22 1HG2 THR 22 6.804 -1.324 -8.373 171 HG23 THR 22 2HG2 THR 22 7.831 -2.259 -9.462 172 H TYR 23 H TYR 23 7.522 -1.329 -4.325 173 HA TYR 23 HA TYR 23 9.924 -2.153 -2.821 174 HB2 TYR 23 2HB TYR 23 7.073 -1.524 -1.898 175 HB3 TYR 23 3HB TYR 23 8.373 -2.051 -0.832 176 HD1 TYR 23 HD1 TYR 23 7.153 0.765 -2.936 177 HD2 TYR 23 HD2 TYR 23 10.111 -0.496 -0.119 178 HE1 TYR 23 HE1 TYR 23 7.890 3.093 -2.662 179 HE2 TYR 23 HE2 TYR 23 10.840 1.831 0.152 180 HH TYR 23 HH TYR 23 10.770 3.928 -0.929 181 H ASP 24 H ASP 24 10.254 -4.270 -2.573 182 HA ASP 24 HA ASP 24 8.222 -6.183 -3.543 183 HB2 ASP 24 2HB ASP 24 11.249 -6.497 -3.288 184 HB3 ASP 24 3HB ASP 24 10.145 -7.734 -3.886 185 H LEU 25 H LEU 25 7.204 -7.247 -2.032 186 HA LEU 25 HA LEU 25 8.589 -8.463 0.224 187 HB2 LEU 25 2HB LEU 25 6.951 -7.704 1.878 188 HB3 LEU 25 3HB LEU 25 7.766 -6.334 1.153 189 HG LEU 25 HG LEU 25 5.558 -6.339 -0.412 190 HD11 LEU 25 1HD1 LEU 25 4.459 -7.451 2.176 191 HD12 LEU 25 2HD1 LEU 25 4.490 -8.282 0.620 192 HD13 LEU 25 3HD1 LEU 25 3.519 -6.825 0.815 193 HD21 LEU 25 3HD2 LEU 25 5.629 -5.098 2.336 194 HD22 LEU 25 1HD2 LEU 25 4.593 -4.605 0.995 195 HD23 LEU 25 2HD2 LEU 25 6.341 -4.429 0.867 196 H TYR 26 H TYR 26 7.002 -10.040 1.313 197 HA TYR 26 HA TYR 26 5.151 -11.216 -0.657 198 HB2 TYR 26 2HB TYR 26 7.414 -12.660 0.788 199 HB3 TYR 26 3HB TYR 26 6.128 -13.478 -0.088 200 HD1 TYR 26 HD1 TYR 26 5.829 -12.821 -2.612 201 HD2 TYR 26 HD2 TYR 26 9.398 -12.022 -0.392 202 HE1 TYR 26 HE1 TYR 26 7.077 -12.565 -4.710 203 HE2 TYR 26 HE2 TYR 26 10.644 -11.771 -2.499 204 HH TYR 26 HH TYR 26 10.470 -12.478 -4.842 205 H PHE 27 H PHE 27 3.266 -11.455 0.263 206 HA PHE 27 HA PHE 27 2.782 -11.619 3.077 207 HB2 PHE 27 2HB PHE 27 1.120 -10.633 1.589 208 HB3 PHE 27 3HB PHE 27 0.996 -12.115 0.660 209 HD1 PHE 27 HD1 PHE 27 -0.145 -14.156 1.734 210 HD2 PHE 27 HD2 PHE 27 -0.201 -10.288 3.557 211 HE1 PHE 27 HE1 PHE 27 -1.995 -14.864 3.188 212 HE2 PHE 27 HE2 PHE 27 -2.048 -11.019 5.009 213 HZ PHE 27 HZ PHE 27 -2.935 -13.305 4.830 214 H SER 28 H SER 28 3.945 -13.327 3.861 215 HA SER 28 HA SER 28 3.456 -16.075 3.021 216 HB2 SER 28 2HB SER 28 4.895 -15.017 5.495 217 HB3 SER 28 3HB SER 28 5.017 -16.641 4.810 218 HG SER 28 HG SER 28 6.771 -15.472 4.144 219 H LYS 29 H LYS 29 2.412 -13.778 5.428 220 HA LYS 29 HA LYS 29 0.115 -15.255 6.296 221 HB2 LYS 29 2HB LYS 29 1.981 -16.409 7.552 222 HB3 LYS 29 3HB LYS 29 2.399 -14.874 8.302 223 HG2 LYS 29 2HG LYS 29 0.256 -14.825 9.475 224 HG3 LYS 29 3HG LYS 29 -0.265 -16.293 8.635 225 HD2 LYS 29 2HD LYS 29 1.587 -17.557 9.724 226 HD3 LYS 29 3HD LYS 29 2.074 -16.092 10.580 227 HE2 LYS 29 2HE LYS 29 -0.090 -16.051 11.753 228 HE3 LYS 29 3HE LYS 29 -0.606 -17.495 10.875 229 HZ1 LYS 29 3HZ LYS 29 1.076 -18.768 11.944 230 HZ2 LYS 29 1HZ LYS 29 0.245 -17.925 13.150 231 HZ3 LYS 29 2HZ LYS 29 1.772 -17.401 12.649 232 H ALA 30 H ALA 30 -1.212 -13.900 7.767 233 HA ALA 30 HA ALA 30 -1.186 -11.167 7.006 234 HB1 ALA 30 3HB ALA 30 -2.814 -12.515 9.187 235 HB2 ALA 30 1HB ALA 30 -3.255 -12.407 7.482 236 HB3 ALA 30 2HB ALA 30 -3.155 -10.942 8.460 237 H GLU 31 H GLU 31 -0.169 -12.808 9.970 238 HA GLU 31 HA GLU 31 0.314 -10.572 11.618 239 HB2 GLU 31 2HB GLU 31 1.463 -13.382 11.557 240 HB3 GLU 31 3HB GLU 31 2.065 -12.204 12.717 241 HG2 GLU 31 2HG GLU 31 0.320 -13.741 13.634 242 HG3 GLU 31 3HG GLU 31 -0.067 -12.031 13.795 243 H GLU 32 H GLU 32 2.391 -12.282 9.347 244 HA GLU 32 HA GLU 32 4.754 -10.743 9.684 245 HB2 GLU 32 2HB GLU 32 3.784 -12.510 7.390 246 HB3 GLU 32 3HB GLU 32 5.427 -11.874 7.533 247 HG2 GLU 32 2HG GLU 32 5.752 -13.101 9.650 248 HG3 GLU 32 3HG GLU 32 4.094 -13.693 9.573 249 H ALA 33 H ALA 33 1.987 -10.543 7.524 250 HA ALA 33 HA ALA 33 2.883 -8.663 5.656 251 HB1 ALA 33 3HB ALA 33 0.047 -9.196 6.598 252 HB2 ALA 33 1HB ALA 33 0.908 -10.085 5.342 253 HB3 ALA 33 2HB ALA 33 0.513 -8.383 5.100 254 H LYS 34 H LYS 34 1.404 -8.249 8.862 255 HA LYS 34 HA LYS 34 0.737 -5.526 8.767 256 HB2 LYS 34 2HB LYS 34 -0.066 -7.005 10.559 257 HB3 LYS 34 3HB LYS 34 1.577 -7.242 11.146 258 HG2 LYS 34 2HG LYS 34 1.682 -4.812 11.734 259 HG3 LYS 34 3HG LYS 34 0.004 -4.636 11.220 260 HD2 LYS 34 2HD LYS 34 -0.750 -6.127 13.004 261 HD3 LYS 34 3HD LYS 34 0.918 -6.504 13.445 262 HE2 LYS 34 2HE LYS 34 1.276 -4.185 14.168 263 HE3 LYS 34 3HE LYS 34 -0.358 -3.752 13.664 264 HZ1 LYS 34 3HZ LYS 34 -0.189 -4.127 16.059 265 HZ2 LYS 34 1HZ LYS 34 0.308 -5.719 15.792 266 HZ3 LYS 34 2HZ LYS 34 -1.244 -5.232 15.338 267 H GLU 35 H GLU 35 3.826 -7.102 9.500 268 HA GLU 35 HA GLU 35 5.246 -4.793 10.398 269 HB2 GLU 35 2HB GLU 35 5.989 -7.109 10.901 270 HB3 GLU 35 3HB GLU 35 6.316 -7.378 9.192 271 HG2 GLU 35 2HG GLU 35 7.993 -5.453 9.333 272 HG3 GLU 35 3HG GLU 35 7.773 -5.497 11.081 273 H LEU 36 H LEU 36 5.129 -6.522 7.279 274 HA LEU 36 HA LEU 36 6.806 -4.811 5.786 275 HB2 LEU 36 2HB LEU 36 4.662 -6.809 5.004 276 HB3 LEU 36 3HB LEU 36 5.472 -5.849 3.785 277 HG LEU 36 HG LEU 36 6.578 -7.932 3.767 278 HD11 LEU 36 1HD1 LEU 36 8.123 -6.058 3.643 279 HD12 LEU 36 2HD1 LEU 36 8.880 -7.455 4.400 280 HD13 LEU 36 3HD1 LEU 36 8.354 -6.096 5.396 281 HD21 LEU 36 3HD2 LEU 36 5.769 -8.880 5.861 282 HD22 LEU 36 1HD2 LEU 36 6.879 -7.860 6.784 283 HD23 LEU 36 2HD2 LEU 36 7.508 -9.105 5.694 284 H LEU 37 H LEU 37 3.416 -4.691 6.525 285 HA LEU 37 HA LEU 37 2.480 -2.711 4.758 286 HB2 LEU 37 2HB LEU 37 0.970 -4.156 5.909 287 HB3 LEU 37 3HB LEU 37 1.605 -3.734 7.475 288 HG LEU 37 HG LEU 37 0.149 -1.590 5.904 289 HD11 LEU 37 1HD1 LEU 37 -2.005 -2.348 6.836 290 HD12 LEU 37 2HD1 LEU 37 -1.231 -3.810 7.451 291 HD13 LEU 37 3HD1 LEU 37 -1.333 -3.527 5.711 292 HD21 LEU 37 3HD2 LEU 37 0.293 -2.239 8.878 293 HD22 LEU 37 1HD2 LEU 37 -0.543 -0.851 8.167 294 HD23 LEU 37 2HD2 LEU 37 1.211 -0.978 8.055 295 H LYS 38 H LYS 38 3.715 -2.532 8.078 296 HA LYS 38 HA LYS 38 3.545 0.237 8.511 297 HB2 LYS 38 2HB LYS 38 3.888 -1.406 10.316 298 HB3 LYS 38 3HB LYS 38 5.469 -1.825 9.664 299 HG2 LYS 38 2HG LYS 38 6.173 0.586 10.112 300 HG3 LYS 38 3HG LYS 38 4.646 0.794 10.971 301 HD2 LYS 38 2HD LYS 38 6.861 -1.170 11.678 302 HD3 LYS 38 3HD LYS 38 6.477 0.318 12.543 303 HE2 LYS 38 2HE LYS 38 4.296 -0.601 13.194 304 HE3 LYS 38 3HE LYS 38 4.620 -2.071 12.271 305 HZ1 LYS 38 3HZ LYS 38 6.141 -1.119 14.632 306 HZ2 LYS 38 1HZ LYS 38 6.507 -2.506 13.738 307 HZ3 LYS 38 2HZ LYS 38 5.058 -2.411 14.601 308 H LYS 39 H LYS 39 6.204 -1.803 7.296 309 HA LYS 39 HA LYS 39 8.214 0.134 7.103 310 HB2 LYS 39 2HB LYS 39 7.805 -2.429 5.503 311 HB3 LYS 39 3HB LYS 39 9.274 -1.455 5.432 312 HG2 LYS 39 2HG LYS 39 9.681 -1.837 7.816 313 HG3 LYS 39 3HG LYS 39 8.187 -2.774 7.942 314 HD2 LYS 39 2HD LYS 39 9.097 -4.470 6.403 315 HD3 LYS 39 3HD LYS 39 10.568 -3.514 6.188 316 HE2 LYS 39 2HE LYS 39 11.113 -3.804 8.561 317 HE3 LYS 39 3HE LYS 39 9.626 -4.717 8.804 318 HZ1 LYS 39 3HZ LYS 39 10.452 -6.429 7.351 319 HZ2 LYS 39 1HZ LYS 39 11.577 -6.131 8.576 320 HZ3 LYS 39 2HZ LYS 39 11.850 -5.537 7.017 321 H VAL 40 H VAL 40 6.018 -1.083 4.533 322 HA VAL 40 HA VAL 40 6.805 0.596 2.442 323 HB VAL 40 HB VAL 40 4.179 -0.805 3.069 324 HG11 VAL 40 1HG1 VAL 40 3.501 1.187 1.798 325 HG12 VAL 40 2HG1 VAL 40 3.339 -0.258 0.801 326 HG13 VAL 40 3HG1 VAL 40 4.707 0.830 0.558 327 HG21 VAL 40 3HG2 VAL 40 4.820 -2.216 1.137 328 HG22 VAL 40 1HG2 VAL 40 6.069 -2.211 2.385 329 HG23 VAL 40 2HG2 VAL 40 6.282 -1.250 0.920 330 H ALA 41 H ALA 41 4.382 1.109 4.980 331 HA ALA 41 HA ALA 41 3.284 3.511 4.021 332 HB1 ALA 41 3HB ALA 41 2.195 2.105 5.703 333 HB2 ALA 41 1HB ALA 41 2.361 3.765 6.278 334 HB3 ALA 41 2HB ALA 41 3.452 2.508 6.876 335 H GLU 42 H GLU 42 6.046 2.898 6.178 336 HA GLU 42 HA GLU 42 6.510 5.666 6.832 337 HB2 GLU 42 2HB GLU 42 8.262 3.212 7.265 338 HB3 GLU 42 3HB GLU 42 8.595 4.815 7.922 339 HG2 GLU 42 2HG GLU 42 6.437 4.726 9.170 340 HG3 GLU 42 3HG GLU 42 6.176 3.094 8.563 341 H LYS 43 H LYS 43 7.884 3.358 4.526 342 HA LYS 43 HA LYS 43 10.012 5.031 3.604 343 HB2 LYS 43 2HB LYS 43 8.725 2.621 2.242 344 HB3 LYS 43 3HB LYS 43 10.220 3.391 1.726 345 HG2 LYS 43 2HG LYS 43 9.737 1.850 4.288 346 HG3 LYS 43 3HG LYS 43 10.763 1.379 2.934 347 HD2 LYS 43 2HD LYS 43 12.308 3.233 3.442 348 HD3 LYS 43 3HD LYS 43 11.254 3.772 4.754 349 HE2 LYS 43 2HE LYS 43 11.639 1.608 5.915 350 HE3 LYS 43 3HE LYS 43 12.744 1.130 4.622 351 HZ1 LYS 43 3HZ LYS 43 13.930 2.018 6.521 352 HZ2 LYS 43 1HZ LYS 43 13.082 3.475 6.409 353 HZ3 LYS 43 2HZ LYS 43 14.142 3.020 5.178 354 H ALA 44 H ALA 44 6.663 4.583 2.716 355 HA ALA 44 HA ALA 44 6.625 6.221 0.365 356 HB1 ALA 44 3HB ALA 44 4.878 4.548 0.810 357 HB2 ALA 44 1HB ALA 44 4.175 6.158 0.650 358 HB3 ALA 44 2HB ALA 44 4.370 5.432 2.252 359 H ALA 45 H ALA 45 5.913 6.669 3.807 360 HA ALA 45 HA ALA 45 4.909 9.259 3.808 361 HB1 ALA 45 3HB ALA 45 4.728 7.755 5.734 362 HB2 ALA 45 1HB ALA 45 5.424 9.305 6.210 363 HB3 ALA 45 2HB ALA 45 6.465 7.887 6.025 364 H ASP 46 H ASP 46 8.234 8.125 3.666 365 HA ASP 46 HA ASP 46 9.613 10.510 4.243 366 HB2 ASP 46 2HB ASP 46 10.396 8.230 2.376 367 HB3 ASP 46 3HB ASP 46 11.501 9.493 2.917 368 H LYS 47 H LYS 47 8.399 9.235 1.130 369 HA LYS 47 HA LYS 47 9.322 11.420 -0.481 370 HB2 LYS 47 2HB LYS 47 7.249 9.251 -1.004 371 HB3 LYS 47 3HB LYS 47 7.605 10.505 -2.183 372 HG2 LYS 47 2HG LYS 47 8.795 8.517 -2.810 373 HG3 LYS 47 3HG LYS 47 9.974 9.716 -2.268 374 HD2 LYS 47 2HD LYS 47 10.198 8.565 -0.114 375 HD3 LYS 47 3HD LYS 47 8.923 7.429 -0.558 376 HE2 LYS 47 2HE LYS 47 11.584 7.694 -1.993 377 HE3 LYS 47 3HE LYS 47 11.198 6.464 -0.788 378 HZ1 LYS 47 3HZ LYS 47 9.726 6.815 -3.346 379 HZ2 LYS 47 1HZ LYS 47 9.521 5.570 -2.218 380 HZ3 LYS 47 2HZ LYS 47 10.961 5.689 -3.095 381 H ILE 48 H ILE 48 6.330 10.720 1.279 382 HA ILE 48 HA ILE 48 4.800 12.912 0.290 383 HB ILE 48 HB ILE 48 4.429 11.720 3.077 384 HG12 ILE 48 2HG1 ILE 48 4.531 9.827 1.459 385 HG13 ILE 48 3HG1 ILE 48 2.929 10.005 2.149 386 HG21 ILE 48 1HG2 ILE 48 3.090 13.706 2.643 387 HG22 ILE 48 2HG2 ILE 48 2.029 12.299 2.657 388 HG23 ILE 48 3HG2 ILE 48 2.498 13.030 1.123 389 HD11 ILE 48 3HD1 ILE 48 2.816 9.455 -0.186 390 HD12 ILE 48 1HD1 ILE 48 3.793 10.861 -0.605 391 HD13 ILE 48 2HD1 ILE 48 2.178 11.077 0.077 392 H LYS 49 H LYS 49 7.115 12.500 2.902 393 HA LYS 49 HA LYS 49 6.759 14.951 4.278 394 HB2 LYS 49 2HB LYS 49 7.899 13.005 5.274 395 HB3 LYS 49 3HB LYS 49 9.179 13.104 4.073 396 HG2 LYS 49 2HG LYS 49 9.939 15.239 5.019 397 HG3 LYS 49 3HG LYS 49 8.611 15.212 6.187 398 HD2 LYS 49 2HD LYS 49 9.541 13.165 7.219 399 HD3 LYS 49 3HD LYS 49 10.839 13.133 6.023 400 HE2 LYS 49 2HE LYS 49 11.725 15.241 6.899 401 HE3 LYS 49 3HE LYS 49 10.393 15.349 8.049 402 HZ1 LYS 49 3HZ LYS 49 11.205 13.386 9.151 403 HZ2 LYS 49 1HZ LYS 49 12.448 14.521 9.046 404 HZ3 LYS 49 2HZ LYS 49 12.431 13.187 8.008 405 H LYS 50 H LYS 50 8.943 13.956 1.654 406 HA LYS 50 HA LYS 50 10.520 16.333 1.624 407 HB2 LYS 50 2HB LYS 50 10.212 14.140 -0.468 408 HB3 LYS 50 3HB LYS 50 11.447 15.398 -0.507 409 HG2 LYS 50 2HG LYS 50 12.374 14.559 1.627 410 HG3 LYS 50 3HG LYS 50 11.142 13.299 1.661 411 HD2 LYS 50 2HD LYS 50 13.208 12.330 0.852 412 HD3 LYS 50 3HD LYS 50 12.064 12.393 -0.489 413 HE2 LYS 50 2HE LYS 50 13.197 14.321 -1.431 414 HE3 LYS 50 3HE LYS 50 14.236 14.459 -0.010 415 HZ1 LYS 50 3HZ LYS 50 15.412 13.403 -1.807 416 HZ2 LYS 50 1HZ LYS 50 14.224 12.212 -1.950 417 HZ3 LYS 50 2HZ LYS 50 15.179 12.287 -0.560 418 H GLN 51 H GLN 51 7.700 15.281 -0.300 419 HA GLN 51 HA GLN 51 7.510 17.986 -1.474 420 HB2 GLN 51 2HB GLN 51 7.133 17.062 -3.740 421 HB3 GLN 51 3HB GLN 51 8.739 16.688 -3.130 422 HG2 GLN 51 2HG GLN 51 8.063 14.389 -2.646 423 HG3 GLN 51 3HG GLN 51 6.410 14.742 -3.148 424 HE21 GLN 51 1HE2 GLN 51 9.698 14.241 -4.249 425 HE22 GLN 51 2HE2 GLN 51 9.308 14.015 -5.916 426 H GLY 52 H GLY 52 5.921 14.913 -0.749 427 HA2 GLY 52 2HA GLY 52 3.685 14.650 -0.060 428 HA3 GLY 52 3HA GLY 52 3.279 16.214 -0.751 429 H CYS 53 H CYS 53 4.103 12.860 -1.534 430 HA CYS 53 HA CYS 53 3.344 12.996 -4.286 431 HB2 CYS 53 2HB CYS 53 3.561 10.548 -2.494 432 HB3 CYS 53 3HB CYS 53 3.572 10.563 -4.257 433 HG CYS 53 HG CYS 53 5.968 12.284 -4.156 434 H LYS 54 H LYS 54 1.327 13.704 -4.639 435 HA LYS 54 HA LYS 54 -0.957 13.133 -2.997 436 HB2 LYS 54 2HB LYS 54 -0.842 14.444 -5.739 437 HB3 LYS 54 3HB LYS 54 -2.200 14.505 -4.617 438 HG2 LYS 54 2HG LYS 54 -0.824 15.794 -3.013 439 HG3 LYS 54 3HG LYS 54 0.544 15.733 -4.129 440 HD2 LYS 54 2HD LYS 54 -2.139 17.081 -4.647 441 HD3 LYS 54 3HD LYS 54 -0.622 17.903 -4.280 442 HE2 LYS 54 2HE LYS 54 0.340 17.245 -6.388 443 HE3 LYS 54 3HE LYS 54 -0.984 16.126 -6.720 444 HZ1 LYS 54 3HZ LYS 54 -1.249 18.133 -7.988 445 HZ2 LYS 54 1HZ LYS 54 -1.190 19.077 -6.592 446 HZ3 LYS 54 2HZ LYS 54 -2.486 18.030 -6.841 447 H ARG 55 H ARG 55 0.559 11.213 -5.186 448 HA ARG 55 HA ARG 55 -1.816 9.583 -5.673 449 HB2 ARG 55 2HB ARG 55 -1.143 9.245 -8.065 450 HB3 ARG 55 3HB ARG 55 -1.639 10.899 -7.716 451 HG2 ARG 55 2HG ARG 55 0.776 11.541 -7.550 452 HG3 ARG 55 3HG ARG 55 1.209 9.901 -8.033 453 HD2 ARG 55 2HD ARG 55 -0.014 10.267 -10.190 454 HD3 ARG 55 3HD ARG 55 -0.308 11.945 -9.695 455 HE ARG 55 HE ARG 55 2.451 10.977 -9.719 456 HH11 ARG 55 1HH1 ARG 55 0.066 13.023 -11.308 457 HH12 ARG 55 2HH1 ARG 55 1.267 13.862 -12.243 458 HH21 ARG 55 1HH2 ARG 55 3.964 12.024 -10.947 459 HH22 ARG 55 2HH2 ARG 55 3.490 13.293 -12.039 460 H VAL 56 H VAL 56 -1.395 7.595 -5.112 461 HA VAL 56 HA VAL 56 1.318 6.404 -5.296 462 HB VAL 56 HB VAL 56 -0.819 5.989 -3.142 463 HG11 VAL 56 1HG1 VAL 56 1.770 4.437 -3.477 464 HG12 VAL 56 2HG1 VAL 56 0.135 3.804 -3.678 465 HG13 VAL 56 3HG1 VAL 56 0.684 4.330 -2.087 466 HG21 VAL 56 3HG2 VAL 56 0.891 6.765 -1.540 467 HG22 VAL 56 1HG2 VAL 56 0.558 7.995 -2.763 468 HG23 VAL 56 2HG2 VAL 56 2.028 7.023 -2.865 469 H LYS 57 H LYS 57 1.297 4.280 -6.178 470 HA LYS 57 HA LYS 57 -1.311 3.216 -7.125 471 HB2 LYS 57 2HB LYS 57 1.369 3.202 -8.620 472 HB3 LYS 57 3HB LYS 57 -0.115 2.441 -9.188 473 HG2 LYS 57 2HG LYS 57 -1.189 4.567 -9.523 474 HG3 LYS 57 3HG LYS 57 0.103 5.423 -8.673 475 HD2 LYS 57 2HD LYS 57 1.685 4.910 -10.469 476 HD3 LYS 57 3HD LYS 57 0.480 3.924 -11.300 477 HE2 LYS 57 2HE LYS 57 0.254 6.919 -10.812 478 HE3 LYS 57 3HE LYS 57 0.744 6.168 -12.332 479 HZ1 LYS 57 3HZ LYS 57 -1.433 5.075 -12.422 480 HZ2 LYS 57 1HZ LYS 57 -1.577 6.761 -12.401 481 HZ3 LYS 57 2HZ LYS 57 -1.896 5.867 -11.003 482 H ILE 58 H ILE 58 -1.635 1.420 -5.961 483 HA ILE 58 HA ILE 58 0.575 -0.418 -5.258 484 HB ILE 58 HB ILE 58 -2.293 -0.213 -4.207 485 HG12 ILE 58 2HG1 ILE 58 0.346 0.338 -2.770 486 HG13 ILE 58 3HG1 ILE 58 -0.764 1.568 -3.361 487 HG21 ILE 58 1HG2 ILE 58 -1.724 -1.992 -2.580 488 HG22 ILE 58 2HG2 ILE 58 -0.158 -2.203 -3.362 489 HG23 ILE 58 3HG2 ILE 58 -1.639 -2.576 -4.244 490 HD11 ILE 58 3HD1 ILE 58 -1.315 -0.423 -1.156 491 HD12 ILE 58 1HD1 ILE 58 -2.473 0.758 -1.780 492 HD13 ILE 58 2HD1 ILE 58 -0.999 1.302 -0.982 493 H ARG 59 H ARG 59 0.835 -1.998 -6.771 494 HA ARG 59 HA ARG 59 -1.556 -3.219 -8.048 495 HB2 ARG 59 2HB ARG 59 1.280 -2.963 -9.168 496 HB3 ARG 59 3HB ARG 59 -0.025 -3.869 -9.936 497 HG2 ARG 59 2HG ARG 59 -1.333 -1.774 -10.172 498 HG3 ARG 59 3HG ARG 59 -0.010 -0.874 -9.427 499 HD2 ARG 59 2HD ARG 59 1.474 -1.539 -11.303 500 HD3 ARG 59 3HD ARG 59 0.121 -2.393 -12.059 501 HE ARG 59 HE ARG 59 -0.977 -0.025 -11.876 502 HH11 ARG 59 1HH1 ARG 59 2.358 -0.685 -12.814 503 HH12 ARG 59 2HH1 ARG 59 2.479 0.742 -13.796 504 HH21 ARG 59 1HH2 ARG 59 -0.787 1.832 -13.164 505 HH22 ARG 59 2HH2 ARG 59 0.704 2.160 -13.991 506 H PHE 60 H PHE 60 -1.709 -5.450 -7.953 507 HA PHE 60 HA PHE 60 0.322 -7.043 -6.596 508 HB2 PHE 60 2HB PHE 60 -0.730 -5.888 -4.709 509 HB3 PHE 60 3HB PHE 60 -2.343 -6.311 -5.290 510 HD1 PHE 60 HD2 PHE 60 0.868 -8.035 -4.358 511 HD2 PHE 60 HD1 PHE 60 -3.404 -8.103 -4.205 512 HE1 PHE 60 HE2 PHE 60 0.946 -10.091 -3.018 513 HE2 PHE 60 HE1 PHE 60 -3.312 -10.163 -2.876 514 HZ PHE 60 HZ PHE 60 -1.142 -11.159 -2.276 515 H GLU 61 H GLU 61 0.009 -9.247 -6.836 516 HA GLU 61 HA GLU 61 -1.862 -10.162 -8.859 517 HB2 GLU 61 2HB GLU 61 0.140 -11.781 -7.215 518 HB3 GLU 61 3HB GLU 61 -0.698 -12.323 -8.666 519 HG2 GLU 61 2HG GLU 61 0.500 -10.467 -9.921 520 HG3 GLU 61 3HG GLU 61 1.459 -10.204 -8.464 521 H LYS 62 H LYS 62 -3.924 -10.683 -8.296 522 HA LYS 62 HA LYS 62 -4.449 -12.127 -5.777 523 HB2 LYS 62 2HB LYS 62 -4.840 -9.620 -5.481 524 HB3 LYS 62 3HB LYS 62 -6.134 -9.735 -6.656 525 HG2 LYS 62 2HG LYS 62 -6.148 -11.365 -4.095 526 HG3 LYS 62 3HG LYS 62 -6.748 -9.713 -4.140 527 HD2 LYS 62 2HD LYS 62 -7.855 -11.996 -5.825 528 HD3 LYS 62 3HD LYS 62 -8.543 -11.460 -4.295 529 HE2 LYS 62 2HE LYS 62 -9.879 -10.439 -5.968 530 HE3 LYS 62 3HE LYS 62 -8.820 -9.150 -5.401 531 HZ1 LYS 62 3HZ LYS 62 -7.431 -9.496 -7.354 532 HZ2 LYS 62 1HZ LYS 62 -9.021 -9.177 -7.812 533 HZ3 LYS 62 2HZ LYS 62 -8.427 -10.757 -7.876 534 H LYS 63 H LYS 63 -4.748 -14.001 -6.983 535 HA LYS 63 HA LYS 63 -7.508 -14.475 -7.492 536 HB2 LYS 63 2HB LYS 63 -6.899 -13.691 -9.784 537 HB3 LYS 63 3HB LYS 63 -5.631 -14.903 -9.867 538 HG2 LYS 63 2HG LYS 63 -7.615 -15.581 -11.150 539 HG3 LYS 63 3HG LYS 63 -7.303 -16.699 -9.816 540 HD2 LYS 63 2HD LYS 63 -9.052 -15.557 -8.470 541 HD3 LYS 63 3HD LYS 63 -9.367 -14.458 -9.813 542 HE2 LYS 63 2HE LYS 63 -10.102 -16.370 -11.188 543 HE3 LYS 63 3HE LYS 63 -9.781 -17.462 -9.836 544 HZ1 LYS 63 3HZ LYS 63 -11.460 -16.394 -8.555 545 HZ2 LYS 63 1HZ LYS 63 -12.130 -16.776 -10.057 546 HZ3 LYS 63 2HZ LYS 63 -11.682 -15.188 -9.717 547 H GLY 64 H GLY 64 -4.436 -15.951 -8.543 548 HA2 GLY 64 2HA GLY 64 -5.098 -18.476 -7.210 549 HA3 GLY 64 3HA GLY 64 -3.789 -18.187 -8.349 550 H LEU 65 H LEU 65 -4.748 -16.681 -5.256 551 HA LEU 65 HA LEU 65 -1.988 -16.923 -4.256 552 HB2 LEU 65 2HB LEU 65 -3.978 -15.784 -2.348 553 HB3 LEU 65 3HB LEU 65 -2.377 -15.234 -2.765 554 HG LEU 65 HG LEU 65 -3.478 -14.209 -4.894 555 HD11 LEU 65 1HD1 LEU 65 -5.866 -13.672 -4.711 556 HD12 LEU 65 2HD1 LEU 65 -5.982 -14.632 -3.233 557 HD13 LEU 65 3HD1 LEU 65 -5.616 -15.418 -4.769 558 HD21 LEU 65 3HD2 LEU 65 -2.645 -12.859 -3.023 559 HD22 LEU 65 1HD2 LEU 65 -4.164 -13.097 -2.151 560 HD23 LEU 65 2HD2 LEU 65 -4.141 -12.181 -3.663 561 H ASP 66 H ASP 66 -5.227 -17.377 -2.966 562 HA ASP 66 HA ASP 66 -5.317 -19.872 -1.897 563 HB2 ASP 66 2HB ASP 66 -3.257 -19.561 -0.634 564 HB3 ASP 66 3HB ASP 66 -3.752 -17.969 -0.090 565 H ASP 67 H ASP 67 -7.049 -19.999 -0.250 566 HA ASP 67 HA ASP 67 -9.241 -18.309 -0.718 567 HB2 ASP 67 2HB ASP 67 -8.795 -20.061 1.749 568 HB3 ASP 67 3HB ASP 67 -10.348 -19.510 1.130 569 H ASP 68 H ASP 68 -7.138 -18.555 2.130 570 HA ASP 68 HA ASP 68 -8.357 -16.415 3.592 571 HB2 ASP 68 2HB ASP 68 -7.273 -18.386 4.671 572 HB3 ASP 68 3HB ASP 68 -5.710 -17.865 4.063 573 H ALA 69 H ALA 69 -5.385 -16.770 1.628 574 HA ALA 69 HA ALA 69 -4.185 -14.303 2.263 575 HB1 ALA 69 3HB ALA 69 -2.975 -16.163 1.213 576 HB2 ALA 69 1HB ALA 69 -2.793 -14.674 0.284 577 HB3 ALA 69 2HB ALA 69 -3.896 -15.938 -0.277 578 H ARG 70 H ARG 70 -6.569 -15.174 -0.204 579 HA ARG 70 HA ARG 70 -6.658 -12.796 -1.694 580 HB2 ARG 70 2HB ARG 70 -7.760 -14.674 -2.616 581 HB3 ARG 70 3HB ARG 70 -8.630 -15.035 -1.142 582 HG2 ARG 70 2HG ARG 70 -9.342 -12.493 -2.591 583 HG3 ARG 70 3HG ARG 70 -9.841 -14.020 -3.316 584 HD2 ARG 70 2HD ARG 70 -11.054 -14.624 -1.269 585 HD3 ARG 70 3HD ARG 70 -10.507 -13.146 -0.478 586 HE ARG 70 HE ARG 70 -11.929 -12.566 -2.872 587 HH11 ARG 70 1HH1 ARG 70 -12.448 -13.557 0.467 588 HH12 ARG 70 2HH1 ARG 70 -14.049 -12.896 0.537 589 HH21 ARG 70 1HH2 ARG 70 -14.049 -11.739 -2.772 590 HH22 ARG 70 2HH2 ARG 70 -14.956 -11.866 -1.297 591 H LYS 71 H LYS 71 -8.373 -13.729 1.262 592 HA LYS 71 HA LYS 71 -10.105 -11.460 1.401 593 HB2 LYS 71 2HB LYS 71 -10.529 -13.741 2.423 594 HB3 LYS 71 3HB LYS 71 -9.302 -13.380 3.625 595 HG2 LYS 71 2HG LYS 71 -11.446 -13.009 4.625 596 HG3 LYS 71 3HG LYS 71 -10.696 -11.429 4.380 597 HD2 LYS 71 2HD LYS 71 -12.080 -11.076 2.359 598 HD3 LYS 71 3HD LYS 71 -12.795 -12.680 2.555 599 HE2 LYS 71 2HE LYS 71 -13.720 -11.934 4.765 600 HE3 LYS 71 3HE LYS 71 -13.096 -10.315 4.437 601 HZ1 LYS 71 3HZ LYS 71 -15.091 -11.763 2.779 602 HZ2 LYS 71 1HZ LYS 71 -14.507 -10.203 2.486 603 HZ3 LYS 71 2HZ LYS 71 -15.433 -10.514 3.864 604 H LYS 72 H LYS 72 -7.074 -12.377 2.976 605 HA LYS 72 HA LYS 72 -6.856 -10.110 4.699 606 HB2 LYS 72 2HB LYS 72 -4.765 -12.110 3.751 607 HB3 LYS 72 3HB LYS 72 -4.490 -10.915 5.010 608 HG2 LYS 72 2HG LYS 72 -6.499 -13.184 5.159 609 HG3 LYS 72 3HG LYS 72 -4.895 -13.177 5.898 610 HD2 LYS 72 2HD LYS 72 -5.634 -11.111 7.204 611 HD3 LYS 72 3HD LYS 72 -7.270 -11.416 6.607 612 HE2 LYS 72 2HE LYS 72 -5.593 -13.276 8.335 613 HE3 LYS 72 3HE LYS 72 -7.012 -12.360 8.842 614 HZ1 LYS 72 3HZ LYS 72 -7.642 -14.606 8.443 615 HZ2 LYS 72 1HZ LYS 72 -6.944 -14.603 6.903 616 HZ3 LYS 72 2HZ LYS 72 -8.312 -13.660 7.214 617 H ALA 73 H ALA 73 -5.814 -10.826 1.399 618 HA ALA 73 HA ALA 73 -3.895 -8.757 1.040 619 HB1 ALA 73 3HB ALA 73 -4.216 -9.175 -1.379 620 HB2 ALA 73 1HB ALA 73 -5.632 -10.171 -1.016 621 HB3 ALA 73 2HB ALA 73 -4.031 -10.678 -0.477 622 H LYS 74 H LYS 74 -7.346 -9.010 0.344 623 HA LYS 74 HA LYS 74 -7.915 -6.506 -0.748 624 HB2 LYS 74 2HB LYS 74 -9.585 -8.280 -0.687 625 HB3 LYS 74 3HB LYS 74 -9.568 -8.304 1.073 626 HG2 LYS 74 2HG LYS 74 -10.488 -5.940 1.028 627 HG3 LYS 74 3HG LYS 74 -10.674 -6.114 -0.721 628 HD2 LYS 74 2HD LYS 74 -12.215 -7.997 -0.391 629 HD3 LYS 74 3HD LYS 74 -11.968 -7.919 1.356 630 HE2 LYS 74 2HE LYS 74 -14.096 -6.879 0.727 631 HE3 LYS 74 3HE LYS 74 -12.997 -5.673 1.399 632 HZ1 LYS 74 3HZ LYS 74 -13.473 -6.128 -1.499 633 HZ2 LYS 74 1HZ LYS 74 -12.485 -4.933 -0.829 634 HZ3 LYS 74 2HZ LYS 74 -14.152 -4.882 -0.583 635 H LYS 75 H LYS 75 -7.934 -7.544 2.656 636 HA LYS 75 HA LYS 75 -8.582 -5.059 3.832 637 HB2 LYS 75 2HB LYS 75 -7.125 -7.454 5.034 638 HB3 LYS 75 3HB LYS 75 -7.786 -6.107 5.959 639 HG2 LYS 75 2HG LYS 75 -10.067 -6.705 5.127 640 HG3 LYS 75 3HG LYS 75 -9.370 -8.113 4.316 641 HD2 LYS 75 2HD LYS 75 -8.661 -9.043 6.476 642 HD3 LYS 75 3HD LYS 75 -9.233 -7.599 7.316 643 HE2 LYS 75 2HE LYS 75 -11.556 -8.145 6.527 644 HE3 LYS 75 3HE LYS 75 -10.926 -9.658 5.866 645 HZ1 LYS 75 3HZ LYS 75 -10.210 -10.271 8.109 646 HZ2 LYS 75 1HZ LYS 75 -11.878 -10.000 8.044 647 HZ3 LYS 75 2HZ LYS 75 -10.859 -8.835 8.722 648 H TRP 76 H TRP 76 -5.497 -6.626 3.073 649 HA TRP 76 HA TRP 76 -3.795 -5.040 4.670 650 HB2 TRP 76 2HB TRP 76 -3.178 -7.288 3.812 651 HB3 TRP 76 3HB TRP 76 -3.136 -6.666 2.166 652 HD1 TRP 76 HD1 TRP 76 -1.201 -6.388 5.513 653 HE1 TRP 76 HE1 TRP 76 1.204 -5.665 4.994 654 HE3 TRP 76 HE3 TRP 76 -1.627 -5.569 0.468 655 HZ2 TRP 76 HZ2 TRP 76 2.728 -4.862 2.797 656 HZ3 TRP 76 HZ3 TRP 76 0.369 -4.819 -0.773 657 HH2 TRP 76 HH2 TRP 76 2.509 -4.475 0.372 658 H ALA 77 H ALA 77 -4.535 -4.926 1.184 659 HA ALA 77 HA ALA 77 -2.902 -2.776 0.454 660 HB1 ALA 77 3HB ALA 77 -4.286 -2.666 -1.571 661 HB2 ALA 77 1HB ALA 77 -5.523 -3.663 -0.790 662 HB3 ALA 77 2HB ALA 77 -3.935 -4.340 -1.144 663 H LEU 78 H LEU 78 -6.132 -2.824 1.856 664 HA LEU 78 HA LEU 78 -6.680 -0.015 1.600 665 HB2 LEU 78 2HB LEU 78 -7.913 -2.148 3.383 666 HB3 LEU 78 3HB LEU 78 -8.505 -0.497 3.288 667 HG LEU 78 HG LEU 78 -8.498 -2.506 0.998 668 HD11 LEU 78 1HD1 LEU 78 -10.156 -3.030 2.749 669 HD12 LEU 78 2HD1 LEU 78 -10.923 -2.539 1.243 670 HD13 LEU 78 3HD1 LEU 78 -10.833 -1.406 2.595 671 HD21 LEU 78 3HD2 LEU 78 -9.564 0.335 1.090 672 HD22 LEU 78 1HD2 LEU 78 -9.802 -0.810 -0.233 673 HD23 LEU 78 2HD2 LEU 78 -8.181 -0.239 0.153 674 H GLU 79 H GLU 79 -5.422 -2.124 4.191 675 HA GLU 79 HA GLU 79 -5.410 -0.112 6.205 676 HB2 GLU 79 2HB GLU 79 -4.027 -2.821 6.088 677 HB3 GLU 79 3HB GLU 79 -4.031 -1.786 7.510 678 HG2 GLU 79 2HG GLU 79 -6.514 -2.948 6.210 679 HG3 GLU 79 3HG GLU 79 -5.698 -3.628 7.615 680 H VAL 80 H VAL 80 -3.003 -1.155 3.839 681 HA VAL 80 HA VAL 80 -0.760 0.317 4.776 682 HB VAL 80 HB VAL 80 -1.558 -0.512 1.938 683 HG11 VAL 80 1HG1 VAL 80 0.779 -0.091 1.249 684 HG12 VAL 80 2HG1 VAL 80 1.133 0.583 2.841 685 HG13 VAL 80 3HG1 VAL 80 -0.015 1.394 1.775 686 HG21 VAL 80 3HG2 VAL 80 0.477 -1.747 3.829 687 HG22 VAL 80 1HG2 VAL 80 0.118 -2.300 2.190 688 HG23 VAL 80 2HG2 VAL 80 -1.112 -2.411 3.449 689 H ALA 81 H ALA 81 -3.368 1.052 2.486 690 HA ALA 81 HA ALA 81 -2.677 3.688 1.795 691 HB1 ALA 81 3HB ALA 81 -4.993 3.843 0.971 692 HB2 ALA 81 1HB ALA 81 -5.409 2.365 1.851 693 HB3 ALA 81 2HB ALA 81 -4.255 2.307 0.518 694 H ASN 82 H ASN 82 -4.709 2.389 4.384 695 HA ASN 82 HA ASN 82 -5.628 4.903 5.393 696 HB2 ASN 82 2HB ASN 82 -5.819 2.047 6.408 697 HB3 ASN 82 3HB ASN 82 -6.259 3.382 7.463 698 HD21 ASN 82 1HD2 ASN 82 -7.330 1.334 4.960 699 HD22 ASN 82 2HD2 ASN 82 -8.856 2.086 4.688 700 H LYS 83 H LYS 83 -2.833 2.857 5.961 701 HA LYS 83 HA LYS 83 -2.116 3.863 8.523 702 HB2 LYS 83 2HB LYS 83 -1.259 1.722 7.164 703 HB3 LYS 83 3HB LYS 83 -0.026 2.818 6.574 704 HG2 LYS 83 2HG LYS 83 -0.540 2.122 9.491 705 HG3 LYS 83 3HG LYS 83 0.751 1.457 8.488 706 HD2 LYS 83 2HD LYS 83 1.729 3.725 8.263 707 HD3 LYS 83 3HD LYS 83 0.435 4.382 9.262 708 HE2 LYS 83 2HE LYS 83 1.232 2.994 11.157 709 HE3 LYS 83 3HE LYS 83 2.561 2.407 10.148 710 HZ1 LYS 83 3HZ LYS 83 3.186 4.282 11.592 711 HZ2 LYS 83 1HZ LYS 83 2.065 5.262 10.793 712 HZ3 LYS 83 2HZ LYS 83 3.392 4.635 9.951 713 H ILE 84 H ILE 84 -0.916 4.650 5.215 714 HA ILE 84 HA ILE 84 0.735 6.847 5.936 715 HB ILE 84 HB ILE 84 -0.674 6.473 3.245 716 HG12 ILE 84 2HG1 ILE 84 2.093 5.402 3.967 717 HG13 ILE 84 3HG1 ILE 84 0.645 4.419 4.038 718 HG21 ILE 84 1HG2 ILE 84 0.377 8.688 3.511 719 HG22 ILE 84 2HG2 ILE 84 1.248 7.733 2.311 720 HG23 ILE 84 3HG2 ILE 84 1.913 7.925 3.934 721 HD11 ILE 84 3HD1 ILE 84 1.886 4.033 1.991 722 HD12 ILE 84 1HD1 ILE 84 1.742 5.737 1.559 723 HD13 ILE 84 2HD1 ILE 84 0.300 4.720 1.643 724 H ALA 85 H ALA 85 -2.642 6.596 4.919 725 HA ALA 85 HA ALA 85 -3.345 9.325 4.904 726 HB1 ALA 85 3HB ALA 85 -4.682 7.594 3.795 727 HB2 ALA 85 1HB ALA 85 -5.671 8.522 4.921 728 HB3 ALA 85 2HB ALA 85 -5.117 6.905 5.358 729 H ASN 86 H ASN 86 -2.983 7.049 7.547 730 HA ASN 86 HA ASN 86 -4.562 8.406 9.507 731 HB2 ASN 86 2HB ASN 86 -3.873 5.977 9.639 732 HB3 ASN 86 3HB ASN 86 -2.233 6.493 9.999 733 HD21 ASN 86 1HD2 ASN 86 -5.514 6.287 11.231 734 HD22 ASN 86 2HD2 ASN 86 -5.108 6.566 12.887 735 H GLU 87 H GLU 87 -1.059 8.449 8.727 736 HA GLU 87 HA GLU 87 -0.338 10.362 10.730 737 HB2 GLU 87 2HB GLU 87 1.054 9.476 8.173 738 HB3 GLU 87 3HB GLU 87 1.727 10.733 9.201 739 HG2 GLU 87 2HG GLU 87 2.884 8.784 9.796 740 HG3 GLU 87 3HG GLU 87 1.720 9.034 11.090 741 H LEU 88 H LEU 88 -1.083 10.650 7.248 742 HA LEU 88 HA LEU 88 -0.406 13.468 7.197 743 HB2 LEU 88 2HB LEU 88 -1.244 11.481 5.081 744 HB3 LEU 88 3HB LEU 88 -1.214 13.197 4.716 745 HG LEU 88 HG LEU 88 0.848 12.318 3.925 746 HD11 LEU 88 1HD1 LEU 88 2.545 13.540 5.163 747 HD12 LEU 88 2HD1 LEU 88 1.478 13.673 6.564 748 HD13 LEU 88 3HD1 LEU 88 1.060 14.483 5.053 749 HD21 LEU 88 3HD2 LEU 88 0.928 10.188 5.102 750 HD22 LEU 88 1HD2 LEU 88 1.323 11.004 6.618 751 HD23 LEU 88 2HD2 LEU 88 2.461 11.037 5.267 752 H GLY 89 H GLY 89 -3.383 11.616 7.217 753 HA2 GLY 89 2HA GLY 89 -5.584 12.213 7.426 754 HA3 GLY 89 3HA GLY 89 -5.028 13.772 8.013 755 H ALA 90 H ALA 90 -4.763 12.125 4.874 756 HA ALA 90 HA ALA 90 -5.504 14.530 3.419 757 HB1 ALA 90 3HB ALA 90 -4.795 11.752 2.420 758 HB2 ALA 90 1HB ALA 90 -3.685 13.114 2.584 759 HB3 ALA 90 2HB ALA 90 -5.002 13.189 1.412 760 H LYS 91 H LYS 91 -6.644 11.169 2.894 761 HA LYS 91 HA LYS 91 -9.401 11.708 3.365 762 HB2 LYS 91 2HB LYS 91 -9.127 12.930 1.182 763 HB3 LYS 91 3HB LYS 91 -8.571 11.436 0.442 764 HG2 LYS 91 2HG LYS 91 -11.003 10.620 1.437 765 HG3 LYS 91 3HG LYS 91 -11.345 12.319 1.108 766 HD2 LYS 91 2HD LYS 91 -10.305 10.264 -0.876 767 HD3 LYS 91 3HD LYS 91 -11.944 10.914 -0.814 768 HE2 LYS 91 2HE LYS 91 -11.090 13.147 -1.411 769 HE3 LYS 91 3HE LYS 91 -9.437 12.528 -1.416 770 HZ1 LYS 91 3HZ LYS 91 -11.615 11.618 -3.225 771 HZ2 LYS 91 1HZ LYS 91 -10.015 11.063 -3.236 772 HZ3 LYS 91 2HZ LYS 91 -10.356 12.666 -3.650 773 H GLN 92 H GLN 92 -8.171 9.642 0.730 774 HA GLN 92 HA GLN 92 -8.072 7.191 2.097 775 HB2 GLN 92 2HB GLN 92 -10.624 7.909 2.307 776 HB3 GLN 92 3HB GLN 92 -10.730 7.449 0.615 777 HG2 GLN 92 2HG GLN 92 -11.485 5.626 2.089 778 HG3 GLN 92 3HG GLN 92 -10.052 5.153 1.174 779 HE21 GLN 92 1HE2 GLN 92 -8.050 4.965 2.287 780 HE22 GLN 92 2HE2 GLN 92 -7.975 4.827 4.001 781 H SER 93 H SER 93 -8.556 5.330 0.363 782 HA SER 93 HA SER 93 -7.075 6.047 -2.079 783 HB2 SER 93 2HB SER 93 -6.570 3.576 -2.091 784 HB3 SER 93 3HB SER 93 -5.984 4.417 -0.658 785 HG SER 93 HG SER 93 -8.328 2.821 -0.862 786 H THR 94 H THR 94 -7.865 5.531 -4.082 787 HA THR 94 HA THR 94 -10.615 4.545 -4.386 788 HB THR 94 HB THR 94 -8.658 5.653 -6.458 789 HG1 THR 94 HG1 THR 94 -10.835 6.883 -5.075 790 HG21 THR 94 3HG2 THR 94 -10.647 5.926 -7.907 791 HG22 THR 94 1HG2 THR 94 -11.649 5.139 -6.686 792 HG23 THR 94 2HG2 THR 94 -10.382 4.226 -7.511 793 H THR 95 H THR 95 -10.926 2.407 -4.771 794 HA THR 95 HA THR 95 -8.609 0.706 -5.477 795 HB THR 95 HB THR 95 -9.983 -1.169 -4.501 796 HG1 THR 95 HG1 THR 95 -11.701 0.259 -3.039 797 HG21 THR 95 3HG2 THR 95 -8.319 0.027 -3.097 798 HG22 THR 95 1HG2 THR 95 -9.704 -0.532 -2.152 799 HG23 THR 95 2HG2 THR 95 -9.570 1.167 -2.600 800 H THR 96 H THR 96 -8.757 -0.825 -7.026 801 HA THR 96 HA THR 96 -11.147 -1.031 -8.736 802 HB THR 96 HB THR 96 -8.208 -1.142 -9.560 803 HG1 THR 96 HG1 THR 96 -8.813 0.960 -9.461 804 HG21 THR 96 3HG2 THR 96 -9.492 -2.796 -10.883 805 HG22 THR 96 1HG2 THR 96 -9.024 -1.419 -11.885 806 HG23 THR 96 2HG2 THR 96 -10.680 -1.557 -11.294 807 H THR 97 H THR 97 -12.033 -2.906 -8.235 808 HA THR 97 HA THR 97 -10.409 -5.244 -7.498 809 HB THR 97 HB THR 97 -12.180 -4.643 -5.888 810 HG1 THR 97 HG1 THR 97 -13.176 -6.992 -7.056 811 HG21 THR 97 3HG2 THR 97 -14.181 -5.210 -8.110 812 HG22 THR 97 1HG2 THR 97 -13.839 -3.619 -7.425 813 HG23 THR 97 2HG2 THR 97 -14.567 -4.874 -6.420 814 H ASP 98 H ASP 98 -10.640 -7.155 -8.556 815 HA ASP 98 HA ASP 98 -12.500 -7.650 -10.703 816 HB2 ASP 98 2HB ASP 98 -10.608 -6.332 -11.833 817 HB3 ASP 98 3HB ASP 98 -9.511 -7.635 -11.394 818 H GLY 99 H GLY 99 -12.163 -9.965 -11.513 819 HA2 GLY 99 2HA GLY 99 -11.849 -11.884 -9.527 820 HA3 GLY 99 3HA GLY 99 -11.685 -12.196 -11.250 821 H ASP 100 H ASP 100 -9.553 -11.419 -12.195 822 HA ASP 100 HA ASP 100 -7.294 -12.288 -10.532 823 HB2 ASP 100 2HB ASP 100 -7.584 -13.185 -12.859 824 HB3 ASP 100 3HB ASP 100 -7.385 -11.561 -13.500 825 H THR 101 H THR 101 -5.554 -10.916 -10.029 826 HA THR 101 HA THR 101 -4.373 -9.067 -9.535 827 HB THR 101 HB THR 101 -5.757 -7.749 -11.915 828 HG1 THR 101 HG1 THR 101 -4.380 -9.810 -12.098 829 HG21 THR 101 3HG2 THR 101 -3.783 -6.268 -12.028 830 HG22 THR 101 1HG2 THR 101 -3.125 -7.005 -10.562 831 HG23 THR 101 2HG2 THR 101 -4.614 -6.061 -10.487 832 H PHE 102 H PHE 102 -4.444 -7.171 -8.277 833 HA PHE 102 HA PHE 102 -7.019 -5.835 -7.771 834 HB2 PHE 102 2HB PHE 102 -6.558 -7.701 -6.034 835 HB3 PHE 102 3HB PHE 102 -5.204 -6.732 -5.478 836 HD1 PHE 102 HD2 PHE 102 -8.896 -6.430 -6.147 837 HD2 PHE 102 HD1 PHE 102 -5.604 -5.253 -3.668 838 HE1 PHE 102 HE2 PHE 102 -10.439 -5.243 -4.645 839 HE2 PHE 102 HE1 PHE 102 -7.163 -4.076 -2.172 840 HZ PHE 102 HZ PHE 102 -9.578 -4.067 -2.658 841 H GLU 103 H GLU 103 -6.708 -3.641 -7.826 842 HA GLU 103 HA GLU 103 -3.983 -2.533 -7.441 843 HB2 GLU 103 2HB GLU 103 -4.392 -2.719 -9.855 844 HB3 GLU 103 3HB GLU 103 -5.921 -1.863 -9.695 845 HG2 GLU 103 2HG GLU 103 -4.669 0.178 -8.968 846 HG3 GLU 103 3HG GLU 103 -3.154 -0.694 -9.203 847 H VAL 104 H VAL 104 -3.975 -0.945 -5.977 848 HA VAL 104 HA VAL 104 -6.434 0.610 -5.384 849 HB VAL 104 HB VAL 104 -4.186 -0.217 -3.472 850 HG11 VAL 104 1HG1 VAL 104 -5.587 0.742 -1.677 851 HG12 VAL 104 2HG1 VAL 104 -6.753 1.297 -2.882 852 HG13 VAL 104 3HG1 VAL 104 -5.120 1.969 -2.859 853 HG21 VAL 104 3HG2 VAL 104 -5.603 -2.138 -4.042 854 HG22 VAL 104 1HG2 VAL 104 -7.052 -1.222 -3.621 855 HG23 VAL 104 2HG2 VAL 104 -5.881 -1.648 -2.369 856 H GLU 105 H GLU 105 -6.061 2.567 -6.412 857 HA GLU 105 HA GLU 105 -3.406 3.829 -6.215 858 HB2 GLU 105 2HB GLU 105 -5.901 4.626 -7.778 859 HB3 GLU 105 3HB GLU 105 -4.461 5.637 -7.675 860 HG2 GLU 105 2HG GLU 105 -3.149 3.695 -8.667 861 HG3 GLU 105 3HG GLU 105 -4.694 2.892 -8.946 862 H VAL 106 H VAL 106 -2.994 5.050 -4.516 863 HA VAL 106 HA VAL 106 -5.185 5.961 -2.784 864 HB VAL 106 HB VAL 106 -2.199 5.991 -2.131 865 HG11 VAL 106 1HG1 VAL 106 -4.630 5.951 -0.303 866 HG12 VAL 106 2HG1 VAL 106 -3.605 7.349 -0.638 867 HG13 VAL 106 3HG1 VAL 106 -2.945 5.958 0.222 868 HG21 VAL 106 3HG2 VAL 106 -4.116 3.692 -1.593 869 HG22 VAL 106 1HG2 VAL 106 -2.447 3.801 -1.028 870 HG23 VAL 106 2HG2 VAL 106 -2.789 3.681 -2.756 871 H ILE 107 H ILE 107 -5.854 7.955 -3.406 872 HA ILE 107 HA ILE 107 -3.939 9.915 -4.469 873 HB ILE 107 HB ILE 107 -6.988 10.065 -4.357 874 HG12 ILE 107 2HG1 ILE 107 -6.274 8.165 -5.783 875 HG13 ILE 107 3HG1 ILE 107 -6.978 9.443 -6.763 876 HG21 ILE 107 1HG2 ILE 107 -6.757 11.859 -6.057 877 HG22 ILE 107 2HG2 ILE 107 -5.001 11.758 -5.917 878 HG23 ILE 107 3HG2 ILE 107 -5.966 12.287 -4.538 879 HD11 ILE 107 3HD1 ILE 107 -5.056 8.470 -7.854 880 HD12 ILE 107 1HD1 ILE 107 -4.032 8.839 -6.467 881 HD13 ILE 107 2HD1 ILE 107 -4.716 10.148 -7.437 882 H LEU 108 H LEU 108 -2.888 10.741 -2.740 883 HA LEU 108 HA LEU 108 -4.278 11.459 -0.278 884 HB2 LEU 108 2HB LEU 108 -1.347 11.625 -1.081 885 HB3 LEU 108 3HB LEU 108 -1.962 12.082 0.501 886 HG LEU 108 HG LEU 108 -2.083 9.273 -0.678 887 HD11 LEU 108 1HD1 LEU 108 0.209 9.921 -0.127 888 HD12 LEU 108 2HD1 LEU 108 -0.383 8.685 0.980 889 HD13 LEU 108 3HD1 LEU 108 -0.292 10.368 1.509 890 HD21 LEU 108 3HD2 LEU 108 -2.891 10.276 2.076 891 HD22 LEU 108 1HD2 LEU 108 -2.805 8.578 1.591 892 HD23 LEU 108 2HD2 LEU 108 -3.967 9.654 0.822 893 H GLU 109 H GLU 109 -5.502 13.221 -0.629 894 HA GLU 109 HA GLU 109 -4.407 15.561 -2.030 895 HB2 GLU 109 2HB GLU 109 -7.230 14.816 -1.203 896 HB3 GLU 109 3HB GLU 109 -6.804 16.374 -1.910 897 HG2 GLU 109 2HG GLU 109 -6.080 15.324 -3.973 898 HG3 GLU 109 3HG GLU 109 -6.259 13.717 -3.272 899 H LEU 110 H LEU 110 -2.974 16.163 -0.387 900 HA LEU 110 HA LEU 110 -4.133 17.470 1.989 901 HB2 LEU 110 2HB LEU 110 -1.225 17.237 1.110 902 HB3 LEU 110 3HB LEU 110 -1.788 17.959 2.605 903 HG LEU 110 HG LEU 110 -2.832 15.517 2.993 904 HD11 LEU 110 1HD1 LEU 110 -1.392 13.720 2.162 905 HD12 LEU 110 2HD1 LEU 110 -0.482 14.883 1.191 906 HD13 LEU 110 3HD1 LEU 110 -2.184 14.577 0.839 907 HD21 LEU 110 3HD2 LEU 110 0.085 16.149 3.462 908 HD22 LEU 110 1HD2 LEU 110 -0.869 14.918 4.294 909 HD23 LEU 110 2HD2 LEU 110 -1.271 16.620 4.491 910 H GLU 111 H GLU 111 -4.836 18.339 -0.641 911 HA GLU 111 HA GLU 111 -3.275 20.659 -1.369 912 HB2 GLU 111 2HB GLU 111 -5.856 19.540 -2.549 913 HB3 GLU 111 3HB GLU 111 -4.900 20.848 -3.248 914 HG2 GLU 111 2HG GLU 111 -2.985 19.311 -3.514 915 HG3 GLU 111 3HG GLU 111 -3.931 18.000 -2.819 916 H HIS 112 H HIS 112 -3.652 21.448 0.814 917 HA HIS 112 HA HIS 112 -5.737 23.525 0.823 918 HB2 HIS 112 2HB HIS 112 -4.740 21.922 3.238 919 HB3 HIS 112 3HB HIS 112 -5.781 23.341 3.342 920 HD1 HIS 112 HD1 HIS 112 -6.089 19.856 3.596 921 HD2 HIS 112 HD2 HIS 112 -8.240 22.747 1.521 922 HE1 HIS 112 HE1 HIS 112 -8.319 18.816 3.083 923 HE2 HIS 112 HE2 HIS 112 -9.636 20.630 1.955 924 H HIS 113 H HIS 113 -3.407 23.692 -0.432 925 HA HIS 113 HA HIS 113 -1.327 24.870 1.273 926 HB2 HIS 113 2HB HIS 113 -0.905 23.025 -0.495 927 HB3 HIS 113 3HB HIS 113 -1.223 24.243 -1.721 928 HD1 HIS 113 HD1 HIS 113 1.217 23.423 1.052 929 HD2 HIS 113 HD2 HIS 113 1.000 25.777 -2.367 930 HE1 HIS 113 HE1 HIS 113 3.532 24.318 0.699 931 HE2 HIS 113 HE2 HIS 113 3.400 25.641 -1.438 932 H HIS 114 H HIS 114 -3.953 26.166 0.586 933 HA HIS 114 HA HIS 114 -3.476 28.372 -1.191 934 HB2 HIS 114 2HB HIS 114 -5.759 27.441 -0.640 935 HB3 HIS 114 3HB HIS 114 -5.596 28.068 0.993 936 HD1 HIS 114 HD1 HIS 114 -6.097 30.558 1.352 937 HD2 HIS 114 HD2 HIS 114 -6.193 29.417 -2.646 938 HE1 HIS 114 HE1 HIS 114 -7.132 32.484 0.114 939 HE2 HIS 114 HE2 HIS 114 -7.173 31.775 -2.291 940 H HIS 115 H HIS 115 -2.909 30.517 -0.632 941 HA HIS 115 HA HIS 115 -0.984 30.825 1.396 942 HB2 HIS 115 2HB HIS 115 -2.432 32.947 -0.235 943 HB3 HIS 115 3HB HIS 115 -1.028 33.269 0.778 944 HD1 HIS 115 HD1 HIS 115 -1.807 32.724 -2.636 945 HD2 HIS 115 HD2 HIS 115 1.233 31.403 -0.128 946 HE1 HIS 115 HE1 HIS 115 0.071 32.034 -4.155 947 HE2 HIS 115 HE2 HIS 115 1.781 31.019 -2.621 948 H HIS 116 H HIS 116 -1.131 31.269 3.488 949 HA HIS 116 HA HIS 116 -3.597 31.493 4.848 950 HB2 HIS 116 2HB HIS 116 -1.662 30.390 5.899 951 HB3 HIS 116 3HB HIS 116 -0.765 31.905 5.896 952 HD1 HIS 116 HD1 HIS 116 -3.483 30.083 7.724 953 HD2 HIS 116 HD2 HIS 116 -1.496 33.727 7.961 954 HE1 HIS 116 HE1 HIS 116 -4.115 31.062 9.941 955 HE2 HIS 116 HE2 HIS 116 -3.097 33.356 9.947 956 H HIS 117 H HIS 117 -4.726 33.147 5.485 957 HA HIS 117 HA HIS 117 -3.548 35.567 6.472 958 HB2 HIS 117 2HB HIS 117 -5.141 37.072 5.138 959 HB3 HIS 117 3HB HIS 117 -3.780 36.415 4.243 960 HD1 HIS 117 HD1 HIS 117 -4.344 34.365 2.629 961 HD2 HIS 117 HD2 HIS 117 -7.621 36.521 4.008 962 HE1 HIS 117 HE1 HIS 117 -6.250 33.738 1.130 963 HE2 HIS 117 HE2 HIS 117 -8.163 35.177 1.867
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